smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000426398069 231215016 /nfs/dbraw/zinc/21/50/16/231215016.db2.gz PLIOVWJKUCLIFX-OAQYLSRUSA-N 1 0 382.508 3.034 50 0 GGAARO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC(Oc2ccccc2F)C1 ZINC000426405492 231216429 /nfs/dbraw/zinc/21/64/29/231216429.db2.gz KSSZYVGLBJGSSI-GOSISDBHSA-N 1 0 383.467 3.120 50 0 GGAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC(Oc2ccccc2F)C1 ZINC000426405493 231216485 /nfs/dbraw/zinc/21/64/85/231216485.db2.gz KSSZYVGLBJGSSI-SFHVURJKSA-N 1 0 383.467 3.120 50 0 GGAARO C[C@H](NC(=O)N1CCC2(CC1)C[N@H+](C)CCCN2C)c1ccc(Cl)cc1 ZINC000426412305 231216968 /nfs/dbraw/zinc/21/69/68/231216968.db2.gz AETKKKPYQUSNBH-INIZCTEOSA-N 1 0 378.948 3.213 50 0 GGAARO Cc1ccc2[nH]c(CN(C)C(=O)NC[C@@H]3Cc4ccccc4C[N@@H+]3C)nc2c1 ZINC000426424418 231218705 /nfs/dbraw/zinc/21/87/05/231218705.db2.gz WLHGIKPPYZFIDS-SFHVURJKSA-N 1 0 377.492 3.069 50 0 GGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414553 231203302 /nfs/dbraw/zinc/20/33/02/231203302.db2.gz MJDYLKVEQWCGOC-WIYYLYMNSA-N 1 0 390.572 3.351 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc2nccnc2c1 ZINC000409414249 231203548 /nfs/dbraw/zinc/20/35/48/231203548.db2.gz JLLYFDNAGYJADG-SIKLNZKXSA-N 1 0 396.535 3.373 50 0 biogenic GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409414904 231204053 /nfs/dbraw/zinc/20/40/53/231204053.db2.gz YMOPELVKFMIKIS-GHTZIAJQSA-N 1 0 390.572 3.351 50 0 biogenic GGAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)N(Cc1cccc(Cl)c1)C1CC1 ZINC000426374147 231210394 /nfs/dbraw/zinc/21/03/94/231210394.db2.gz JDQRXVVICMNDBK-LJQANCHMSA-N 1 0 379.932 3.251 50 0 GGAARO Cn1ccnc1-c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000426382960 231210988 /nfs/dbraw/zinc/21/09/88/231210988.db2.gz BDSABGNNBIVPBM-QGZVFWFLSA-N 1 0 378.476 3.322 50 0 GGAARO Cn1ccnc1-c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)cc1 ZINC000426382953 231211178 /nfs/dbraw/zinc/21/11/78/231211178.db2.gz BDSABGNNBIVPBM-KRWDZBQOSA-N 1 0 378.476 3.322 50 0 GGAARO COc1cccc(-n2cc(CNC(=O)c3ccccc3-c3nccn3C)cn2)c1 ZINC000426477888 231226475 /nfs/dbraw/zinc/22/64/75/231226475.db2.gz JNAGUHMTDCGRGF-UHFFFAOYSA-N 1 0 387.443 3.211 50 0 GGAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000426490746 231228252 /nfs/dbraw/zinc/22/82/52/231228252.db2.gz RVCWOYYXPUYSMT-SFHVURJKSA-N 1 0 376.460 3.308 50 0 GGAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426493090 231228481 /nfs/dbraw/zinc/22/84/81/231228481.db2.gz VVIKZTWMLBLPHG-GOSISDBHSA-N 1 0 378.524 3.272 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000426523294 231235336 /nfs/dbraw/zinc/23/53/36/231235336.db2.gz ZWDJBFLMMYKQGV-NRFANRHFSA-N 1 0 385.552 3.468 50 0 GGAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)o2)cc1 ZINC000426551050 231239640 /nfs/dbraw/zinc/23/96/40/231239640.db2.gz HHGNJUXULCXAHC-MRXNPFEDSA-N 1 0 381.476 3.007 50 0 GGAARO O=C(c1cccc(-c2ccccc2O)c1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000426581307 231243485 /nfs/dbraw/zinc/24/34/85/231243485.db2.gz RBIOPIIGPGMLCE-UHFFFAOYSA-N 1 0 380.488 3.122 50 0 GGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000426589798 231243728 /nfs/dbraw/zinc/24/37/28/231243728.db2.gz PRMDSLGREHIERK-IBGZPJMESA-N 1 0 381.524 3.097 50 0 GGAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc(O)c(F)c3)c2)C1 ZINC000426589864 231243739 /nfs/dbraw/zinc/24/37/39/231243739.db2.gz ZCKNPVBTJQDYAM-INIZCTEOSA-N 1 0 386.467 3.287 50 0 GGAARO CO[C@]12CC[N@H+](Cc3ccc(N(C)C)nc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426640333 231248305 /nfs/dbraw/zinc/24/83/05/231248305.db2.gz CNXZKRSNCZOKKF-CNNODRBYSA-N 1 0 382.508 3.134 50 0 GGAARO O=C(C1CC[NH+](C2CCOCC2)CC1)N(Cc1ccco1)Cc1ccccn1 ZINC000426678096 231252025 /nfs/dbraw/zinc/25/20/25/231252025.db2.gz LERUZQIDUBRHLW-UHFFFAOYSA-N 1 0 383.492 3.094 50 0 GGAARO O=C(NC[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426674059 231252335 /nfs/dbraw/zinc/25/23/35/231252335.db2.gz KUJYATXYSIQCQV-MRXNPFEDSA-N 1 0 380.492 3.234 50 0 GGAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000426691115 231253346 /nfs/dbraw/zinc/25/33/46/231253346.db2.gz BILLFZDPJZCMDY-KRWDZBQOSA-N 1 0 384.499 3.117 50 0 GGAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(CSCCO)cc3)cc2)C1 ZINC000426689887 231253398 /nfs/dbraw/zinc/25/33/98/231253398.db2.gz PWFSLPLJYUAPDG-NRFANRHFSA-N 1 0 384.545 3.355 50 0 GGAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426715893 231255186 /nfs/dbraw/zinc/25/51/86/231255186.db2.gz KYNBMEFOVDKJHM-KRWDZBQOSA-N 1 0 377.488 3.269 50 0 GGAARO CO[C@]12CC[N@H+](Cc3ccc(N(C)C)nc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426723816 231255569 /nfs/dbraw/zinc/25/55/69/231255569.db2.gz CNXZKRSNCZOKKF-XQBPLPMBSA-N 1 0 382.508 3.134 50 0 GGAARO CC[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000426536529 529491669 /nfs/dbraw/zinc/49/16/69/529491669.db2.gz RICWABNCMYSFFT-KRWDZBQOSA-N 1 0 378.480 3.249 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N(C)[C@@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426487427 529642467 /nfs/dbraw/zinc/64/24/67/529642467.db2.gz PNJLZVXOIKPALT-GOSISDBHSA-N 1 0 398.576 3.040 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC[N@H+](C)CC4)csc3C2)nc1 ZINC000426667335 529643133 /nfs/dbraw/zinc/64/31/33/529643133.db2.gz HMMLITZENGDWSS-UHFFFAOYSA-N 1 0 398.576 3.042 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CC[N@@H+](CC)C4)csc3C2)nc1 ZINC000426515471 529644404 /nfs/dbraw/zinc/64/44/04/529644404.db2.gz CWDPCNXNZUTWCP-SFHVURJKSA-N 1 0 398.576 3.088 50 0 GGAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000426574922 529954861 /nfs/dbraw/zinc/95/48/61/529954861.db2.gz MNDDNCWDXSCGFI-KRWDZBQOSA-N 1 0 395.482 3.366 50 0 GGAARO CN(Cc1cc(-c2ccccc2)on1)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000426434438 529975372 /nfs/dbraw/zinc/97/53/72/529975372.db2.gz IKRRXPCGQVFPMH-UHFFFAOYSA-N 1 0 383.492 3.191 50 0 GGAARO C[NH2+]Cc1nnc(SCc2nc3ccccc3s2)n1C[C@H]1CCCO1 ZINC000426361858 530011351 /nfs/dbraw/zinc/01/13/51/530011351.db2.gz YPCHFGMQRRNDON-GFCCVEGCSA-N 1 0 375.523 3.079 50 0 GGAARO CN(Cc1cnc2ccccn12)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000426523289 530016348 /nfs/dbraw/zinc/01/63/48/530016348.db2.gz ZAZSGIWXNJRMJZ-LJQANCHMSA-N 1 0 377.492 3.140 50 0 GGAARO CC[NH+]1CCN(CCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)CC1 ZINC000020590324 203830070 /nfs/dbraw/zinc/83/00/70/203830070.db2.gz ZXWVKAYTKSNSLT-UHFFFAOYSA-N 1 0 378.472 3.476 50 0 GGAARO Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000002781130 203962620 /nfs/dbraw/zinc/96/26/20/203962620.db2.gz HURFYUCDEDEQMN-NSHDSACASA-N 1 0 380.842 3.414 50 0 GGAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@@](O)(c3ccc4c(c3)OCCO4)C2)c1 ZINC000002966291 203977379 /nfs/dbraw/zinc/97/73/79/203977379.db2.gz SDPARQPRPPKYTD-QHCPKHFHSA-N 1 0 379.480 3.335 50 0 GGAARO CC1CC[NH+](CCOCCOc2ccccc2I)CC1 ZINC000002956996 203977748 /nfs/dbraw/zinc/97/77/48/203977748.db2.gz DSBNDVKFLBKJHI-UHFFFAOYSA-N 1 0 389.277 3.419 50 0 GGAARO O[C@@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000002966427 203977827 /nfs/dbraw/zinc/97/78/27/203977827.db2.gz YDFWCPYDALPNKT-OAQYLSRUSA-N 1 0 385.871 3.371 50 0 GGAARO CC1(C)[NH+]=C(N)NC(=N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl ZINC000003581056 204014213 /nfs/dbraw/zinc/01/42/13/204014213.db2.gz MJZJYWCQPMNPRM-UHFFFAOYSA-N 1 0 394.690 3.028 50 0 world GGAARO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004111356 204027255 /nfs/dbraw/zinc/02/72/55/204027255.db2.gz GOLJVSJIHHQCQE-QFIPXVFZSA-N 1 0 399.579 3.488 50 0 GGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOc2ccc(Br)cc2)C1 ZINC000004186386 204031964 /nfs/dbraw/zinc/03/19/64/204031964.db2.gz CYYQCICIVGWIRA-UXLLHSPISA-N 1 0 386.330 3.183 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccnc1 ZINC000004271557 204035856 /nfs/dbraw/zinc/03/58/56/204035856.db2.gz HXVHCMDMCUHWLL-GOSISDBHSA-N 1 0 397.862 3.338 50 0 GGAARO c1ccc(CN2CCOCCOCC[N@H+](Cc3ccccc3)CCOCC2)cc1 ZINC000004257911 204036305 /nfs/dbraw/zinc/03/63/05/204036305.db2.gz XUNRUQFHVHCHDT-UHFFFAOYSA-N 1 0 398.547 3.054 50 0 GGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(F)c2)CC1 ZINC000004711710 204067814 /nfs/dbraw/zinc/06/78/14/204067814.db2.gz OWHCXSDZKQEAED-UHFFFAOYSA-N 1 0 385.439 3.007 50 0 GGAARO O=C(c1cccc(F)c1)N1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000004710749 204068192 /nfs/dbraw/zinc/06/81/92/204068192.db2.gz AYYSTPPQBVCUQC-UHFFFAOYSA-N 1 0 385.458 3.392 50 0 GGAARO O=C(Cc1ccccc1)N1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000004712161 204068693 /nfs/dbraw/zinc/06/86/93/204068693.db2.gz WFLVTKZQKZXVEL-UHFFFAOYSA-N 1 0 381.495 3.181 50 0 GGAARO COCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000004725466 204069257 /nfs/dbraw/zinc/06/92/57/204069257.db2.gz UVSMCFQNZWZRBL-UHFFFAOYSA-N 1 0 382.504 3.240 50 0 GGAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000004725063 204069408 /nfs/dbraw/zinc/06/94/08/204069408.db2.gz OPXBVBURIYYMJK-AWEZNQCLSA-N 1 0 397.313 3.361 50 0 GGAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000004725454 204069600 /nfs/dbraw/zinc/06/96/00/204069600.db2.gz FFABRYYJFMRBTN-UHFFFAOYSA-N 1 0 398.503 3.241 50 0 GGAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000004744857 204072357 /nfs/dbraw/zinc/07/23/57/204072357.db2.gz VTKBRGQVSXSKDN-AWEZNQCLSA-N 1 0 381.314 3.292 50 0 GGAARO CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004778489 204076206 /nfs/dbraw/zinc/07/62/06/204076206.db2.gz PYQYWVVSOIKLHN-BIXPGCQOSA-N 1 0 393.616 3.438 50 0 GGAARO COc1ccc([C@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000004793837 204077145 /nfs/dbraw/zinc/07/71/45/204077145.db2.gz REWRNKZOHJNJGC-JOCHJYFZSA-N 1 0 394.519 3.150 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000004837363 204080453 /nfs/dbraw/zinc/08/04/53/204080453.db2.gz UVLGBEOLPJWMGW-KBPBESRZSA-N 1 0 387.480 3.412 50 0 GGAARO CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000004845857 204081987 /nfs/dbraw/zinc/08/19/87/204081987.db2.gz UXOKYRMKTXJZEN-MPMPPSQCSA-N 1 0 399.472 3.477 50 0 GGAARO COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1OC ZINC000004412836 204044537 /nfs/dbraw/zinc/04/45/37/204044537.db2.gz GUIBSZHURFMJKH-UHFFFAOYSA-N 1 0 389.883 3.361 50 0 GGAARO COc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000004412841 204045142 /nfs/dbraw/zinc/04/51/42/204045142.db2.gz DPWPPCKCGULSEJ-UHFFFAOYSA-N 1 0 389.883 3.118 50 0 GGAARO C[NH+](C)CCC(=O)O[C@@H]1CCCC[C@H]1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000004474712 204046247 /nfs/dbraw/zinc/04/62/47/204046247.db2.gz DEJVZAYUUCJCJY-IAGOWNOFSA-N 1 0 387.929 3.061 50 0 GGAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1cccs1 ZINC000004488589 204046561 /nfs/dbraw/zinc/04/65/61/204046561.db2.gz NNRCURIZBRSUHI-UHFFFAOYSA-N 1 0 376.522 3.148 50 0 GGAARO CN(C(=O)C[NH3+])c1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000004543615 204050867 /nfs/dbraw/zinc/05/08/67/204050867.db2.gz LMNUNDIWGIKRIB-UHFFFAOYSA-N 1 0 381.657 3.255 50 0 GGAARO C[NH+](C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000004585282 204055810 /nfs/dbraw/zinc/05/58/10/204055810.db2.gz ROYFNOOQWFMDBK-UHFFFAOYSA-N 1 0 383.473 3.276 50 0 GGAARO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004580664 204055966 /nfs/dbraw/zinc/05/59/66/204055966.db2.gz FOYCYQCJHNGHCI-UHFFFAOYSA-N 1 0 378.513 3.101 50 0 GGAARO Cc1ccc(-c2csc(N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)n2)cc1 ZINC000004601791 204056497 /nfs/dbraw/zinc/05/64/97/204056497.db2.gz DCXJQTSBUCUQKM-UHFFFAOYSA-N 1 0 384.549 3.429 50 0 aggregator GGAARO Cc1c(Cl)cccc1NC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000004602385 204056659 /nfs/dbraw/zinc/05/66/59/204056659.db2.gz QKHWJHPPBMROMR-UHFFFAOYSA-N 1 0 394.972 3.151 50 0 GGAARO COc1ccc2oc(=O)c(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2c1 ZINC000004626091 204057736 /nfs/dbraw/zinc/05/77/36/204057736.db2.gz XPKXLSJGZCEDAV-CQSZACIVSA-N 1 0 389.411 3.478 50 0 GGAARO COc1ccc2oc(=O)c(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2c1 ZINC000004626090 204058562 /nfs/dbraw/zinc/05/85/62/204058562.db2.gz XPKXLSJGZCEDAV-AWEZNQCLSA-N 1 0 389.411 3.478 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000004670890 204061595 /nfs/dbraw/zinc/06/15/95/204061595.db2.gz HFXFDAATZIEGHQ-UHFFFAOYSA-N 1 0 389.912 3.324 50 0 GGAARO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000004689459 204064374 /nfs/dbraw/zinc/06/43/74/204064374.db2.gz ZYVLGZXPMFGDFX-GOSISDBHSA-N 1 0 391.899 3.433 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2)N(CCC[NH+](C)C)C1=O ZINC000005350155 204128040 /nfs/dbraw/zinc/12/80/40/204128040.db2.gz TVVQJNGSVAXWPF-HXUWFJFHSA-N 1 0 392.455 3.299 50 0 GGAARO CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005186903 204118078 /nfs/dbraw/zinc/11/80/78/204118078.db2.gz KDXOEFAFDQJXJA-FQEVSTJZSA-N 1 0 392.455 3.299 50 0 GGAARO CCOc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC)cc1C ZINC000004937426 204093298 /nfs/dbraw/zinc/09/32/98/204093298.db2.gz JYINWGWHVBSDMH-UHFFFAOYSA-N 1 0 398.569 3.380 50 0 GGAARO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000004997261 204101604 /nfs/dbraw/zinc/10/16/04/204101604.db2.gz BPJBGGYFMIDYPX-JOCHJYFZSA-N 1 0 376.500 3.311 50 0 GGAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1cccc(C)c1 ZINC000005019794 204103029 /nfs/dbraw/zinc/10/30/29/204103029.db2.gz JXMLOUFHORDYGL-UHFFFAOYSA-N 1 0 384.520 3.395 50 0 GGAARO COc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccc(F)cc1 ZINC000005019638 204103773 /nfs/dbraw/zinc/10/37/73/204103773.db2.gz YUADQXABIZWUHM-UHFFFAOYSA-N 1 0 388.483 3.225 50 0 GGAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(C)cc1 ZINC000005019799 204104010 /nfs/dbraw/zinc/10/40/10/204104010.db2.gz DRUIXDAPIHSUGN-UHFFFAOYSA-N 1 0 384.520 3.395 50 0 GGAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000005421818 204130657 /nfs/dbraw/zinc/13/06/57/204130657.db2.gz QXSQQJVFJWOTNB-OAQYLSRUSA-N 1 0 391.471 3.339 50 0 GGAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000005559793 204139728 /nfs/dbraw/zinc/13/97/28/204139728.db2.gz YTGSFLLFXSOZOS-AWEZNQCLSA-N 1 0 376.280 3.008 50 0 GGAARO CC[NH+](CC)CCCNc1nc2sc3c(c2c2ncnn21)CC(C)(C)OC3 ZINC000005562518 204140103 /nfs/dbraw/zinc/14/01/03/204140103.db2.gz QDOMJTJLHAKPOA-UHFFFAOYSA-N 1 0 388.541 3.334 50 0 GGAARO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000006849590 204214634 /nfs/dbraw/zinc/21/46/34/204214634.db2.gz LXDUPBWILSTEEG-WCQYABFASA-N 1 0 396.167 3.119 50 0 GGAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000006859917 204215890 /nfs/dbraw/zinc/21/58/90/204215890.db2.gz NKZLLBILNCCHNH-GPJFCIFZSA-N 1 0 375.557 3.186 50 0 GGAARO CC[NH+](CC)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006267365 204172725 /nfs/dbraw/zinc/17/27/25/204172725.db2.gz KTKZMJUYAGRSEA-UHFFFAOYSA-N 1 0 375.494 3.076 50 0 GGAARO CC1(C)CC(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC(C)(C)[NH2+]1 ZINC000006658790 204189645 /nfs/dbraw/zinc/18/96/45/204189645.db2.gz HZBVFOGTPUQAMR-UHFFFAOYSA-N 1 0 398.503 3.086 50 0 GGAARO COc1ccccc1[C@@]1(CC[NH2+]CCCN2CCOCC2)CCOC(C)(C)C1 ZINC000006759942 204200493 /nfs/dbraw/zinc/20/04/93/204200493.db2.gz TZDRHJALEZOIMF-QHCPKHFHSA-N 1 0 390.568 3.224 50 0 GGAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(COc4ccccc4)nc3c12 ZINC000006759902 204200755 /nfs/dbraw/zinc/20/07/55/204200755.db2.gz MSAJGFXDOIXXCY-UHFFFAOYSA-N 1 0 378.480 3.227 50 0 GGAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007540396 204242931 /nfs/dbraw/zinc/24/29/31/204242931.db2.gz IVYRBRLOOMHICA-MRXNPFEDSA-N 1 0 381.480 3.446 50 0 GGAARO C[NH+]1CCN(c2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc32)CC1 ZINC000007615887 204243346 /nfs/dbraw/zinc/24/33/46/204243346.db2.gz KEOPPDSUEYRFSH-UHFFFAOYSA-N 1 0 396.857 3.489 50 0 GGAARO C[NH+](C)CCN1C(=O)C[C@@H]2Sc3ccccc3N=C2N1Cc1ccccc1 ZINC000008716873 204285473 /nfs/dbraw/zinc/28/54/73/204285473.db2.gz BOIHVMZEXBKKAQ-IBGZPJMESA-N 1 0 380.517 3.402 50 0 GGAARO C[NH+](C)CCN1C(=O)C[C@H]2Sc3ccccc3N=C2N1Cc1ccccc1 ZINC000008716872 204285798 /nfs/dbraw/zinc/28/57/98/204285798.db2.gz BOIHVMZEXBKKAQ-LJQANCHMSA-N 1 0 380.517 3.402 50 0 GGAARO COc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c(OC)c1 ZINC000008993226 204295071 /nfs/dbraw/zinc/29/50/71/204295071.db2.gz DRUVSFDFKWQWKG-UHFFFAOYSA-N 1 0 393.447 3.145 50 0 GGAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccccc1 ZINC000008254636 204267959 /nfs/dbraw/zinc/26/79/59/204267959.db2.gz ZBUNQDICKXFNDV-UHFFFAOYSA-N 1 0 399.520 3.070 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(O)cc1)N(CC[NH+](C)C)C3=O ZINC000008549529 204279685 /nfs/dbraw/zinc/27/96/85/204279685.db2.gz XIKRHKUBYHQZMR-HXUWFJFHSA-N 1 0 392.455 3.222 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000009575577 204317181 /nfs/dbraw/zinc/31/71/81/204317181.db2.gz GRYVQZGQTFZMDK-KRWDZBQOSA-N 1 0 390.487 3.374 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000010434615 204335202 /nfs/dbraw/zinc/33/52/02/204335202.db2.gz AXNLXIWVDUEUCH-UHFFFAOYSA-N 1 0 383.399 3.371 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CCc3cccnc3)C2)cc1 ZINC000011664951 204350248 /nfs/dbraw/zinc/35/02/48/204350248.db2.gz VFSPAKZUTTXMHE-QFIPXVFZSA-N 1 0 395.547 3.436 50 0 GGAARO O=C(CCc1cnccn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011711721 204350689 /nfs/dbraw/zinc/35/06/89/204350689.db2.gz FWZLLHSDKUXFBX-QFIPXVFZSA-N 1 0 382.483 3.063 50 0 GGAARO O=C(CCC1CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1)NC1CC1 ZINC000011709286 204350953 /nfs/dbraw/zinc/35/09/53/204350953.db2.gz SDRLWDWYSIOEFE-UHFFFAOYSA-N 1 0 397.563 3.163 50 0 GGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2nc3ccccc3[nH]2)c1 ZINC000011784964 204352870 /nfs/dbraw/zinc/35/28/70/204352870.db2.gz KYUQHAFDAKWWBY-GOSISDBHSA-N 1 0 392.503 3.285 50 0 GGAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](CCO)CC1)C1CC1 ZINC000011782275 204353001 /nfs/dbraw/zinc/35/30/01/204353001.db2.gz UEBNYMUAFDQIBU-HSZRJFAPSA-N 1 0 393.531 3.002 50 0 GGAARO CCOc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011761106 204353197 /nfs/dbraw/zinc/35/31/97/204353197.db2.gz GDILQTLVSRQJSW-LJQANCHMSA-N 1 0 385.552 3.040 50 0 GGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2nc3ccccc3[nH]2)c1 ZINC000011784963 204353408 /nfs/dbraw/zinc/35/34/08/204353408.db2.gz KYUQHAFDAKWWBY-SFHVURJKSA-N 1 0 392.503 3.285 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1CCOCC1 ZINC000011816984 204353728 /nfs/dbraw/zinc/35/37/28/204353728.db2.gz ORDBMASEFQBNPE-HXUWFJFHSA-N 1 0 388.552 3.225 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)C1CCOCC1 ZINC000011816985 204353741 /nfs/dbraw/zinc/35/37/41/204353741.db2.gz ORDBMASEFQBNPE-FQEVSTJZSA-N 1 0 388.552 3.225 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2)c1 ZINC000011818040 204353781 /nfs/dbraw/zinc/35/37/81/204353781.db2.gz MTMNIDHEZSFVCH-QFIPXVFZSA-N 1 0 390.499 3.075 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2cccnc2)C1 ZINC000011817204 204354201 /nfs/dbraw/zinc/35/42/01/204354201.db2.gz HPQSASWRFDYCHQ-OAQYLSRUSA-N 1 0 395.547 3.436 50 0 GGAARO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000011789960 204354386 /nfs/dbraw/zinc/35/43/86/204354386.db2.gz LNLSDNFQQHBQOB-APWZRJJASA-N 1 0 380.517 3.386 50 0 GGAARO CCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cn1 ZINC000011840304 204355001 /nfs/dbraw/zinc/35/50/01/204355001.db2.gz DWRJFZSUCCGZPE-HSZRJFAPSA-N 1 0 378.520 3.362 50 0 GGAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c1 ZINC000011821645 204355035 /nfs/dbraw/zinc/35/50/35/204355035.db2.gz FPFUSORNTRLMNM-KRWDZBQOSA-N 1 0 383.492 3.049 50 0 GGAARO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000011838950 204355285 /nfs/dbraw/zinc/35/52/85/204355285.db2.gz LOYJGYOKAXSGPQ-HXUWFJFHSA-N 1 0 382.504 3.483 50 0 GGAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000011844290 204357083 /nfs/dbraw/zinc/35/70/83/204357083.db2.gz SVLVWVASSKPLFR-UHFFFAOYSA-N 1 0 394.475 3.366 50 0 GGAARO O=C1NCCN1c1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011841321 204357717 /nfs/dbraw/zinc/35/77/17/204357717.db2.gz PLUBISHRCDVMLR-QHCPKHFHSA-N 1 0 397.494 3.173 50 0 GGAARO COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011873645 204358933 /nfs/dbraw/zinc/35/89/33/204358933.db2.gz ALSOUHMOOYKQFA-NRFANRHFSA-N 1 0 394.462 3.123 50 0 GGAARO COc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc2c1OCO2 ZINC000011873557 204358967 /nfs/dbraw/zinc/35/89/67/204358967.db2.gz SJDSGJWZJIQKEK-MRXNPFEDSA-N 1 0 378.432 3.172 50 0 GGAARO COc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1OC ZINC000011873613 204359020 /nfs/dbraw/zinc/35/90/20/204359020.db2.gz HFCWHZTVULKFRQ-GOSISDBHSA-N 1 0 380.488 3.065 50 0 GGAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1OC ZINC000011905391 204360285 /nfs/dbraw/zinc/36/02/85/204360285.db2.gz XBSDLZZTHVLZRS-GOSISDBHSA-N 1 0 395.459 3.392 50 0 GGAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1C[C@@H]1COc2ccccc2O1 ZINC000011911400 204360996 /nfs/dbraw/zinc/36/09/96/204360996.db2.gz HHLGVIFHWCGCNV-RTBURBONSA-N 1 0 384.451 3.136 50 0 GGAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCCC2)cc1 ZINC000011916623 204361948 /nfs/dbraw/zinc/36/19/48/204361948.db2.gz FXTDHXTUMCXOHM-FQEVSTJZSA-N 1 0 392.455 3.369 50 0 GGAARO COc1ccc([C@@H](C)[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn32)cc1 ZINC000011935203 204362454 /nfs/dbraw/zinc/36/24/54/204362454.db2.gz XTUKPJFYZJVIGR-MRXNPFEDSA-N 1 0 378.476 3.430 50 0 GGAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000011933296 204363162 /nfs/dbraw/zinc/36/31/62/204363162.db2.gz PJFFPNNIGIAHDL-SFHVURJKSA-N 1 0 378.480 3.014 50 0 GGAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCCC2)cc1 ZINC000011916621 204363295 /nfs/dbraw/zinc/36/32/95/204363295.db2.gz FXTDHXTUMCXOHM-HXUWFJFHSA-N 1 0 392.455 3.369 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CCc3ccccn3)C2)cc1 ZINC000011936876 204364200 /nfs/dbraw/zinc/36/42/00/204364200.db2.gz ZQDACEHXUMFJIO-OAQYLSRUSA-N 1 0 395.547 3.436 50 0 GGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)CC1 ZINC000011937494 204364672 /nfs/dbraw/zinc/36/46/72/204364672.db2.gz BGILSNHYTMGTEW-KRWDZBQOSA-N 1 0 391.512 3.201 50 0 GGAARO CCCC[C@H]1C[N@H+](CCC(=O)NCCOc2cccnc2)Cc2ccccc2O1 ZINC000011974156 204365638 /nfs/dbraw/zinc/36/56/38/204365638.db2.gz DARRJMCTZROTMP-NRFANRHFSA-N 1 0 397.519 3.420 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2csc(C)n2)CC1 ZINC000011997046 204365979 /nfs/dbraw/zinc/36/59/79/204365979.db2.gz RMVWSXKHMDFFGQ-UHFFFAOYSA-N 1 0 387.549 3.487 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2cccs2)cc1 ZINC000011967922 204366082 /nfs/dbraw/zinc/36/60/82/204366082.db2.gz OEDJOYJTYPQWTO-GOSISDBHSA-N 1 0 386.517 3.248 50 0 GGAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn(C2CCCCC2)nn1 ZINC000012000332 204366471 /nfs/dbraw/zinc/36/64/71/204366471.db2.gz XWTVGHMAFOHASQ-FQEVSTJZSA-N 1 0 385.487 3.489 50 0 GGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000012030974 204367149 /nfs/dbraw/zinc/36/71/49/204367149.db2.gz LZOLMYDQVIIPSJ-HSZRJFAPSA-N 1 0 378.516 3.403 50 0 GGAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3OC)C2)cc1 ZINC000012022314 204367683 /nfs/dbraw/zinc/36/76/83/204367683.db2.gz KZZLWLRZDFNVNN-LJQANCHMSA-N 1 0 382.504 3.275 50 0 GGAARO Cc1ccc(CNC(=O)CC[C@H]2CCCN(c3cc(C)[nH+]c(N(C)C)n3)C2)o1 ZINC000012053059 204368773 /nfs/dbraw/zinc/36/87/73/204368773.db2.gz GSYMRBIQAGUEFT-QGZVFWFLSA-N 1 0 385.512 3.065 50 0 GGAARO Cc1cc(C)cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 ZINC000012038764 204368846 /nfs/dbraw/zinc/36/88/46/204368846.db2.gz WEPSVKGBCMQJCI-SFTDATJTSA-N 1 0 386.536 3.112 50 0 GGAARO CCC[NH+]1CCC([C@@]2(Cc3cccc(F)c3)NC(=O)N(CC(C)C)C2=O)CC1 ZINC000012041604 204368979 /nfs/dbraw/zinc/36/89/79/204368979.db2.gz HMWJCDLXUMAFLN-JOCHJYFZSA-N 1 0 389.515 3.437 50 0 GGAARO CCC[NH+]1CCC([C@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000012053145 204368993 /nfs/dbraw/zinc/36/89/93/204368993.db2.gz CTLCKIWHSDTOOV-QFIPXVFZSA-N 1 0 387.524 3.060 50 0 GGAARO COC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012050050 204369031 /nfs/dbraw/zinc/36/90/31/204369031.db2.gz MDXLCCIMFLCGBV-GOSISDBHSA-N 1 0 382.504 3.495 50 0 GGAARO Cc1ccc(C)c(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 ZINC000012041529 204369105 /nfs/dbraw/zinc/36/91/05/204369105.db2.gz QNFBTYFSNKNEID-SFTDATJTSA-N 1 0 386.536 3.112 50 0 GGAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]C1(c2ccccc2)CC1 ZINC000012111801 204373017 /nfs/dbraw/zinc/37/30/17/204373017.db2.gz IAXCVHQOOQEAJB-QFIPXVFZSA-N 1 0 386.442 3.097 50 0 GGAARO O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(C[NH+]2CCCC2)[nH]c1=O ZINC000012158447 204377646 /nfs/dbraw/zinc/37/76/46/204377646.db2.gz MWKALCVKNDYPCP-UHFFFAOYSA-N 1 0 394.500 3.024 50 0 GGAARO CC[NH+]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1 ZINC000012386269 204403384 /nfs/dbraw/zinc/40/33/84/204403384.db2.gz MARAYJOBVJENDR-UHFFFAOYSA-N 1 0 377.492 3.449 50 0 GGAARO CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccnc2)C3=O)cc1 ZINC000012431094 204409140 /nfs/dbraw/zinc/40/91/40/204409140.db2.gz RLSZECFMUPEUIX-QHCPKHFHSA-N 1 0 379.504 3.495 50 0 GGAARO O=C(CCn1cccn1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012449397 204411261 /nfs/dbraw/zinc/41/12/61/204411261.db2.gz SEFDDUCGEXGAKS-UHFFFAOYSA-N 1 0 395.551 3.352 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000012196471 204380501 /nfs/dbraw/zinc/38/05/01/204380501.db2.gz VEKYUJDIOXRSTQ-OAHLLOKOSA-N 1 0 380.366 3.467 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc(Cl)c(O)c(OC)c2)C1 ZINC000012195635 204381320 /nfs/dbraw/zinc/38/13/20/204381320.db2.gz QFQYHCHEQOYXLX-IBGZPJMESA-N 1 0 385.888 3.236 50 0 GGAARO CCCC[N@H+](C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000012190141 204381411 /nfs/dbraw/zinc/38/14/11/204381411.db2.gz UWNHWUOIRCILPP-UHFFFAOYSA-N 1 0 385.552 3.409 50 0 GGAARO O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(C[NH+]2CCCCC2)[nH]c1=O ZINC000012190117 204381525 /nfs/dbraw/zinc/38/15/25/204381525.db2.gz QAZGABPDSHRVDA-UHFFFAOYSA-N 1 0 383.536 3.163 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cnsn1 ZINC000012197356 204381668 /nfs/dbraw/zinc/38/16/68/204381668.db2.gz YNPKSLCMTZTGOB-HNNXBMFYSA-N 1 0 378.929 3.218 50 0 GGAARO O=C(CCC1CC[NH+](C2CCN(c3ccccc3)CC2)CC1)NC[C@H]1CCCO1 ZINC000012209104 204383363 /nfs/dbraw/zinc/38/33/63/204383363.db2.gz CJPLLESZFKZSMQ-HSZRJFAPSA-N 1 0 399.579 3.443 50 0 GGAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+]1CCCn1cccn1 ZINC000012207985 204383930 /nfs/dbraw/zinc/38/39/30/204383930.db2.gz YDYLMIUHTCOCRZ-IBGZPJMESA-N 1 0 381.505 3.500 50 0 GGAARO CCCC[C@H]1C[N@H+](CCC(=O)NCc2cn(C)nc2C)Cc2ccccc2O1 ZINC000012212978 204384496 /nfs/dbraw/zinc/38/44/96/204384496.db2.gz OFFHJZGGZJJGRT-FQEVSTJZSA-N 1 0 384.524 3.188 50 0 GGAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012245530 204386239 /nfs/dbraw/zinc/38/62/39/204386239.db2.gz RODNHMYRYBJWRN-KRWDZBQOSA-N 1 0 398.478 3.468 50 0 GGAARO CCOC(=O)C1CC[NH+]([C@@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)CC1 ZINC000012279619 204389101 /nfs/dbraw/zinc/38/91/01/204389101.db2.gz DFNKKKSASXXYMD-GOSISDBHSA-N 1 0 392.927 3.496 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc2[nH]c(C)nc2c1 ZINC000012301093 204390323 /nfs/dbraw/zinc/39/03/23/204390323.db2.gz VGYAMLXSIVEYKH-UHFFFAOYSA-N 1 0 397.567 3.140 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cn1ccc(C)n1 ZINC000012297651 204390416 /nfs/dbraw/zinc/39/04/16/204390416.db2.gz ZNJDJIFXUWKFRT-HXUWFJFHSA-N 1 0 386.515 3.134 50 0 GGAARO Cc1nc2ncccn2c1C(=O)N1CCC([C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000012299748 204390779 /nfs/dbraw/zinc/39/07/79/204390779.db2.gz JUVCLQIXROZHFG-SFHVURJKSA-N 1 0 383.540 3.258 50 0 GGAARO COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000012301748 204391081 /nfs/dbraw/zinc/39/10/81/204391081.db2.gz PDAVMKGUJDNQMV-HXUWFJFHSA-N 1 0 382.504 3.070 50 0 GGAARO O=C1C[C@H]([NH2+]Cc2cccc3c2OCO3)CN1Cc1ccccc1C(F)(F)F ZINC000012301589 204391696 /nfs/dbraw/zinc/39/16/96/204391696.db2.gz QWCYGMWGISNKOV-HNNXBMFYSA-N 1 0 392.377 3.325 50 0 GGAARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](/C=C/c3ccc(F)cc3)[N@H+]3CCC[C@@]123 ZINC000012305880 204393381 /nfs/dbraw/zinc/39/33/81/204393381.db2.gz SCQFVEFXYRLNFI-ROVMIQBKSA-N 1 0 377.463 3.499 50 0 GGAARO CC[C@@H]1CN(C(=O)c2ccc(N(C)Cc3ccccn3)nc2)CC[N@@H+]1C(C)C ZINC000012305388 204393673 /nfs/dbraw/zinc/39/36/73/204393673.db2.gz ZSPVPMCJIVYBGM-HXUWFJFHSA-N 1 0 381.524 3.058 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1n[nH]c2c1CCC2 ZINC000012306932 204393717 /nfs/dbraw/zinc/39/37/17/204393717.db2.gz MFMCJEMUKAQQJI-UHFFFAOYSA-N 1 0 384.499 3.064 50 0 GGAARO O=C(c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1)N1CCSCC1 ZINC000012308492 204393942 /nfs/dbraw/zinc/39/39/42/204393942.db2.gz DVPIOAGZJUXPQO-UHFFFAOYSA-N 1 0 397.544 3.314 50 0 GGAARO c1nc(N2CCCC2)sc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012315730 204396043 /nfs/dbraw/zinc/39/60/43/204396043.db2.gz FINHEQLVQLXAAX-QGZVFWFLSA-N 1 0 380.521 3.491 50 0 GGAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c(OC)c1 ZINC000012319251 204397079 /nfs/dbraw/zinc/39/70/79/204397079.db2.gz UVGALHZLUXSUIH-SFHVURJKSA-N 1 0 397.519 3.407 50 0 GGAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000012586366 204427140 /nfs/dbraw/zinc/42/71/40/204427140.db2.gz UXCDOEKFGCWDKI-UHFFFAOYSA-N 1 0 388.430 3.340 50 0 GGAARO O=C(c1csnn1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012580965 204428036 /nfs/dbraw/zinc/42/80/36/204428036.db2.gz JZSLYJJBAASIPP-AWEZNQCLSA-N 1 0 392.475 3.191 50 0 GGAARO CCOc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc3c(c2)OCO3)cc1 ZINC000013766331 204513001 /nfs/dbraw/zinc/51/30/01/204513001.db2.gz QCIVWDKQCGDMHD-QHCPKHFHSA-N 1 0 395.479 3.464 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014740502 204540308 /nfs/dbraw/zinc/54/03/08/204540308.db2.gz DSQCFDVGPJJYBA-GOSISDBHSA-N 1 0 396.535 3.185 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC)cc1)C2 ZINC000014750441 204542347 /nfs/dbraw/zinc/54/23/47/204542347.db2.gz RUMKORKNDRVDKU-GOSISDBHSA-N 1 0 396.535 3.185 50 0 GGAARO C[NH+](C)[C@@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1 ZINC000014953935 204546257 /nfs/dbraw/zinc/54/62/57/204546257.db2.gz ARLJYSXRWHUOFZ-LJQANCHMSA-N 1 0 377.492 3.447 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(OC)c1)C2 ZINC000014536825 204536756 /nfs/dbraw/zinc/53/67/56/204536756.db2.gz VMSCTVIBIRZUBO-GOSISDBHSA-N 1 0 396.535 3.185 50 0 GGAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000019148290 204628613 /nfs/dbraw/zinc/62/86/13/204628613.db2.gz VBZLGURSRRVMIK-SFHVURJKSA-N 1 0 392.503 3.415 50 0 GGAARO O=C(COc1ccc(Br)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019841669 204687286 /nfs/dbraw/zinc/68/72/86/204687286.db2.gz IXAMMVOTJAEQSS-UHFFFAOYSA-N 1 0 381.314 3.305 50 0 GGAARO CC(=O)Nc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000023373805 204806168 /nfs/dbraw/zinc/80/61/68/204806168.db2.gz SWWRZVGCCSCBDU-DEOSSOPVSA-N 1 0 395.547 3.146 50 0 GGAARO O=S(=O)(c1cccnc1)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012302252 204817066 /nfs/dbraw/zinc/81/70/66/204817066.db2.gz JVWDTUQPQINZGX-OAQYLSRUSA-N 1 0 399.560 3.047 50 0 GGAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000039393430 205041550 /nfs/dbraw/zinc/04/15/50/205041550.db2.gz WYERSZKBWYVWDU-QFIPXVFZSA-N 1 0 399.579 3.192 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3cccc(C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039393481 205041563 /nfs/dbraw/zinc/04/15/63/205041563.db2.gz NDLFKLWAIDNOID-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO CC(C)Cc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)[nH]n1 ZINC000039515404 205041709 /nfs/dbraw/zinc/04/17/09/205041709.db2.gz SEVAYINDHVRXBE-HSZRJFAPSA-N 1 0 384.568 3.110 50 0 GGAARO Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070896054 205024964 /nfs/dbraw/zinc/02/49/64/205024964.db2.gz RDLFZTHRUPQCBB-UHFFFAOYSA-N 1 0 386.883 3.015 50 0 GGAARO Cn1cc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c2ccccc21 ZINC000039518817 205042716 /nfs/dbraw/zinc/04/27/16/205042716.db2.gz ATNKBFLDVDAFNI-HXUWFJFHSA-N 1 0 381.495 3.386 50 0 GGAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039430104 205043230 /nfs/dbraw/zinc/04/32/30/205043230.db2.gz XGINSEBYILGQLS-HXUWFJFHSA-N 1 0 396.560 3.311 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn(C2CC2)c(=O)c2ccccc12 ZINC000079191195 205055490 /nfs/dbraw/zinc/05/54/90/205055490.db2.gz QJUITBQBAORMSN-HRAATJIYSA-N 1 0 379.504 3.331 50 0 biogenic GGAARO CC(C)C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000079191810 205058025 /nfs/dbraw/zinc/05/80/25/205058025.db2.gz YTTCIZVZZGMEQV-BWAGFHJFSA-N 1 0 397.563 3.438 50 0 biogenic GGAARO CCc1c(C)sc2nc3n(CC[NH+]4CCCCC4)nc(SC)n3c(=O)c12 ZINC000040288351 205060882 /nfs/dbraw/zinc/06/08/82/205060882.db2.gz DBENQGIEKPXGLT-UHFFFAOYSA-N 1 0 391.566 3.184 50 0 GGAARO CCCSc1nn(CCC[NH+](C)C)c2nc3sc(C)c(CC)c3c(=O)n12 ZINC000040287887 205061494 /nfs/dbraw/zinc/06/14/94/205061494.db2.gz IJGMOOIOAUNGEG-UHFFFAOYSA-N 1 0 393.582 3.430 50 0 GGAARO CCc1nn2c(ncc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397419 205064558 /nfs/dbraw/zinc/06/45/58/205064558.db2.gz RBPUTANUFINPSC-UHFFFAOYSA-N 1 0 395.894 3.489 50 0 GGAARO COC(=O)c1ccc(CNC(=O)C[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000041105110 205077261 /nfs/dbraw/zinc/07/72/61/205077261.db2.gz YMTZNFBEWUWJEO-UHFFFAOYSA-N 1 0 398.503 3.056 50 0 GGAARO C[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048087896 205112668 /nfs/dbraw/zinc/11/26/68/205112668.db2.gz AVBZFMTYIYXORG-QGZVFWFLSA-N 1 0 377.492 3.108 50 0 GGAARO CCCc1cn(C2CCN(C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)nn1 ZINC000048175472 205115531 /nfs/dbraw/zinc/11/55/31/205115531.db2.gz QGMJCQOHQOZMLB-UHFFFAOYSA-N 1 0 375.561 3.341 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC000053274980 205135437 /nfs/dbraw/zinc/13/54/37/205135437.db2.gz SMKICSFSAHPQSE-OAHLLOKOSA-N 1 0 389.521 3.350 50 0 GGAARO Cc1nccn1-c1ccc(C[NH2+]Cc2c(C)n(CC(N)=O)c3ccccc23)cc1 ZINC000055061225 205140791 /nfs/dbraw/zinc/14/07/91/205140791.db2.gz UNQGTWOSCCSZBY-UHFFFAOYSA-N 1 0 387.487 3.219 50 0 GGAARO COc1ccccc1-n1cc(-c2ccnc(NCC[C@H]3CCC[N@@H+]3C)n2)cn1 ZINC000055060934 205141313 /nfs/dbraw/zinc/14/13/13/205141313.db2.gz PCURNESJVHMDOH-QGZVFWFLSA-N 1 0 378.480 3.234 50 0 GGAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000055060933 205141464 /nfs/dbraw/zinc/14/14/64/205141464.db2.gz IUDLOCVLFCDUCR-QGZVFWFLSA-N 1 0 375.428 3.453 50 0 GGAARO Cn1cnnc1Sc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000055061207 205141535 /nfs/dbraw/zinc/14/15/35/205141535.db2.gz MGLIJXUKCLFXBA-FQEVSTJZSA-N 1 0 387.553 3.257 50 0 GGAARO CCOc1ccc(CN2CCC([NH+]3CCC(C(=O)NC(C)C)CC3)CC2)cc1 ZINC000055054128 205142285 /nfs/dbraw/zinc/14/22/85/205142285.db2.gz CBAZNIXJMXOPAU-UHFFFAOYSA-N 1 0 387.568 3.286 50 0 GGAARO Cn1cnnc1Sc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000055061208 205142361 /nfs/dbraw/zinc/14/23/61/205142361.db2.gz MGLIJXUKCLFXBA-HXUWFJFHSA-N 1 0 387.553 3.257 50 0 GGAARO CCc1ccccc1NC(=O)c1cccc(NC(=O)CN2CC[NH+](CC)CC2)c1 ZINC000055154623 205142541 /nfs/dbraw/zinc/14/25/41/205142541.db2.gz GBBGVGJMMPBWHE-UHFFFAOYSA-N 1 0 394.519 3.077 50 0 GGAARO Cc1cc[nH+]c(NCCNC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000055154586 205142946 /nfs/dbraw/zinc/14/29/46/205142946.db2.gz SIWATNXIBIMZTB-UHFFFAOYSA-N 1 0 378.835 3.130 50 0 GGAARO Cc1c(C[N@@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)cnn1C ZINC000055133892 205143646 /nfs/dbraw/zinc/14/36/46/205143646.db2.gz PEQSRZRFHIDHGG-UHFFFAOYSA-N 1 0 378.524 3.309 50 0 GGAARO Cc1ccc(F)c(NC(=O)CCC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000055211276 205144989 /nfs/dbraw/zinc/14/49/89/205144989.db2.gz JQSWJKGPZKYSEB-UHFFFAOYSA-N 1 0 383.467 3.027 50 0 GGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055226522 205145809 /nfs/dbraw/zinc/14/58/09/205145809.db2.gz HAGRHDHXBGGFJA-SFHVURJKSA-N 1 0 391.899 3.387 50 0 GGAARO O=C(Nc1nc(-c2ccccc2)ns1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000055226195 205146160 /nfs/dbraw/zinc/14/61/60/205146160.db2.gz YSGRRGQWZNVGNT-UHFFFAOYSA-N 1 0 394.504 3.386 50 0 GGAARO CCCCc1ncc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)[nH]1 ZINC000055254360 205146231 /nfs/dbraw/zinc/14/62/31/205146231.db2.gz HHUUGSKPZUWMHX-IBGZPJMESA-N 1 0 376.545 3.040 50 0 GGAARO CCc1oc(C(=O)NCc2nc(-c3ccccc3)no2)cc1C[NH+]1CCCC1 ZINC000055382858 205146777 /nfs/dbraw/zinc/14/67/77/205146777.db2.gz ANIXDBBGDXRGBN-UHFFFAOYSA-N 1 0 380.448 3.418 50 0 GGAARO CCCCc1ccc(-n2cc(C[NH2+]C3CCN(C(=O)NCC)CC3)cn2)cc1 ZINC000055405278 205149190 /nfs/dbraw/zinc/14/91/90/205149190.db2.gz PTLFGYZCXPBIKB-UHFFFAOYSA-N 1 0 383.540 3.498 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055405276 205149307 /nfs/dbraw/zinc/14/93/07/205149307.db2.gz VLTPBIMVLQOLGY-OAQYLSRUSA-N 1 0 383.492 3.094 50 0 GGAARO c1ccc(-n2nnnc2Oc2ccc(C[NH2+]CCOc3ccccn3)cc2)cc1 ZINC000057356044 205156908 /nfs/dbraw/zinc/15/69/08/205156908.db2.gz BPVKFFRTCGPZMX-UHFFFAOYSA-N 1 0 388.431 3.018 50 0 GGAARO Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051317481 205132266 /nfs/dbraw/zinc/13/22/66/205132266.db2.gz IDFVWYFNUOVQDZ-UHFFFAOYSA-N 1 0 387.915 3.320 50 0 GGAARO Cc1ccc2c(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063871621 205186999 /nfs/dbraw/zinc/18/69/99/205186999.db2.gz PVBAWSFRLZKDEZ-GOSISDBHSA-N 1 0 389.503 3.172 50 0 GGAARO Cc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N1CCC[N@@H+](C)C[C@@H]1C ZINC000063868120 205187364 /nfs/dbraw/zinc/18/73/64/205187364.db2.gz YGJQJLUJMYTYOI-INIZCTEOSA-N 1 0 377.492 3.110 50 0 GGAARO Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000063884729 205188358 /nfs/dbraw/zinc/18/83/58/205188358.db2.gz WODLWDCZDSWOCA-GOSISDBHSA-N 1 0 389.503 3.172 50 0 GGAARO COc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)c1 ZINC000014531101 205178983 /nfs/dbraw/zinc/17/89/83/205178983.db2.gz GKCKAYWNDWLVEH-GOSISDBHSA-N 1 0 396.535 3.092 50 0 GGAARO COc1cccc2c1ccn2CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061721821 205183561 /nfs/dbraw/zinc/18/35/61/205183561.db2.gz SNIFSJYGUCWHHG-UHFFFAOYSA-N 1 0 377.488 3.431 50 0 GGAARO COc1ccc(NC(=O)[C@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000061963753 205184217 /nfs/dbraw/zinc/18/42/17/205184217.db2.gz IDUXNWJPOZVGBU-RPLLZPRCSA-N 1 0 385.851 3.133 50 0 GGAARO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000064595614 205191854 /nfs/dbraw/zinc/19/18/54/205191854.db2.gz SNGVBJONFDIYFN-UHFFFAOYSA-N 1 0 376.547 3.135 50 0 GGAARO O=C(c1ccccc1)N1CCC([NH2+]CCN2CC[C@H](c3ccccc3)C2)CC1 ZINC000065371077 205231601 /nfs/dbraw/zinc/23/16/01/205231601.db2.gz YVUPTDPUAIFGQD-QFIPXVFZSA-N 1 0 377.532 3.370 50 0 GGAARO COc1ccccc1OCC[N@@H+]1CCC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000065373373 205231848 /nfs/dbraw/zinc/23/18/48/205231848.db2.gz YPDSAXCJPSPVGX-KRWDZBQOSA-N 1 0 380.448 3.399 50 0 GGAARO CCn1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2)nn1 ZINC000065375189 205232356 /nfs/dbraw/zinc/23/23/56/205232356.db2.gz KLUPIADIUXRKBE-IBGZPJMESA-N 1 0 376.464 3.282 50 0 GGAARO CCc1nccc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCCC[C@@H]2CO)n1 ZINC000065407356 205233189 /nfs/dbraw/zinc/23/31/89/205233189.db2.gz JFSKIVWBAREPGJ-LJQANCHMSA-N 1 0 391.519 3.416 50 0 GGAARO CCN(Cc1ccncc1)C(=O)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000065398400 205233456 /nfs/dbraw/zinc/23/34/56/205233456.db2.gz NXIMJXRPDBKVQF-UHFFFAOYSA-N 1 0 390.487 3.180 50 0 GGAARO c1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2C[NH2+]CCO2)n(-c2cccnc2)c1 ZINC000065397141 205233602 /nfs/dbraw/zinc/23/36/02/205233602.db2.gz OYFKQGXDVVYBLT-FQEVSTJZSA-N 1 0 385.471 3.391 50 0 GGAARO COC1CC[NH+](Cc2ccc(C(=O)Nc3nn(C)c4ccccc43)cc2)CC1 ZINC000065395772 205233666 /nfs/dbraw/zinc/23/36/66/205233666.db2.gz OXSOOFZFEVZVBH-UHFFFAOYSA-N 1 0 378.476 3.436 50 0 GGAARO CC(=O)Nc1ccc2nc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)ccc2c1 ZINC000065386391 205234147 /nfs/dbraw/zinc/23/41/47/205234147.db2.gz FTBVQRMZKZZXND-UHFFFAOYSA-N 1 0 380.492 3.028 50 0 GGAARO O=C(CC[NH+]1CCC([C@H](O)c2cccs2)CC1)N1CCc2ccccc2C1 ZINC000065424126 205234860 /nfs/dbraw/zinc/23/48/60/205234860.db2.gz LXDONXBVSDMVNJ-QFIPXVFZSA-N 1 0 384.545 3.469 50 0 GGAARO CC(C)(C[N@@H+]1CC[C@@H](c2ccnc(-c3cccc(O)c3)c2)C1)N1CCOCC1 ZINC000065459017 205235000 /nfs/dbraw/zinc/23/50/00/205235000.db2.gz HONTZRKEXIWQMH-HXUWFJFHSA-N 1 0 381.520 3.354 50 0 GGAARO CC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)c1C ZINC000065410341 205235032 /nfs/dbraw/zinc/23/50/32/205235032.db2.gz LLHMQCPFEOFYCA-LJQANCHMSA-N 1 0 377.492 3.477 50 0 GGAARO Cc1nn(C)c(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1 ZINC000065508200 205236427 /nfs/dbraw/zinc/23/64/27/205236427.db2.gz KCTOKMNBKRTKGS-HXUWFJFHSA-N 1 0 392.507 3.150 50 0 GGAARO CC[C@@H](Cn1cnc(-c2ccccc2)c1-c1cnn(CC)c1)[NH+]1CCN(C)CC1 ZINC000065492553 205236799 /nfs/dbraw/zinc/23/67/99/205236799.db2.gz OIFAZKDNOCHISJ-NRFANRHFSA-N 1 0 392.551 3.460 50 0 GGAARO C[NH+]1CCC(Oc2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000067602128 205250183 /nfs/dbraw/zinc/25/01/83/205250183.db2.gz PWBLBMGFQFRNDT-UHFFFAOYSA-N 1 0 396.487 3.137 50 0 GGAARO Cc1ccc2cc(C3(O)CC[NH+](Cc4ccc(C(N)=O)cc4)CC3)ccc2n1 ZINC000067588901 205250391 /nfs/dbraw/zinc/25/03/91/205250391.db2.gz LOGOBOLYJFNPCR-UHFFFAOYSA-N 1 0 375.472 3.126 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](CC2CCC2)CC1)c1ccc2c(c1)OCO2 ZINC000067587557 205251344 /nfs/dbraw/zinc/25/13/44/205251344.db2.gz RKLAERCKIRKRDY-UHFFFAOYSA-N 1 0 382.464 3.301 50 0 GGAARO CCNc1nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(C)[nH+]1 ZINC000067613167 205251521 /nfs/dbraw/zinc/25/15/21/205251521.db2.gz IAGVSGJPZBNDBW-UHFFFAOYSA-N 1 0 381.524 3.477 50 0 GGAARO CC(C)Cc1noc(CN(C)c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n1 ZINC000067673314 205251634 /nfs/dbraw/zinc/25/16/34/205251634.db2.gz MBVTWSRSNGAEBF-UHFFFAOYSA-N 1 0 378.480 3.007 50 0 GGAARO O=C(NCc1csc2ccc(Cl)cc12)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067654508 205251701 /nfs/dbraw/zinc/25/17/01/205251701.db2.gz AASQEKXVTSYASC-GFCCVEGCSA-N 1 0 389.912 3.076 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000067629873 205251864 /nfs/dbraw/zinc/25/18/64/205251864.db2.gz VTUJXUFPDOWKDQ-UHFFFAOYSA-N 1 0 398.486 3.187 50 0 GGAARO C[NH+]1CCC(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000067629612 205252055 /nfs/dbraw/zinc/25/20/55/205252055.db2.gz WYSMQLIYPLOEQE-UHFFFAOYSA-N 1 0 384.351 3.416 50 0 GGAARO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NC3CC[NH+](C)CC3)nc2)C1 ZINC000067641492 205252672 /nfs/dbraw/zinc/25/26/72/205252672.db2.gz ABYHBBSYSUXSHW-SFHVURJKSA-N 1 0 386.540 3.055 50 0 GGAARO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@@H]2c2nc(-c3ccncc3)no2)n1 ZINC000067673461 205253369 /nfs/dbraw/zinc/25/33/69/205253369.db2.gz FTGYXUAOFXXIJT-GOSISDBHSA-N 1 0 391.479 3.039 50 0 GGAARO CC(C)([NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)c1ccccc1 ZINC000067676050 205253476 /nfs/dbraw/zinc/25/34/76/205253476.db2.gz QIPSOTUZGANKNL-JOCHJYFZSA-N 1 0 388.458 3.343 50 0 GGAARO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2cn(C)nn2)c1 ZINC000067691931 205253934 /nfs/dbraw/zinc/25/39/34/205253934.db2.gz CCONRQBETPGOBW-QGZVFWFLSA-N 1 0 380.452 3.009 50 0 GGAARO Cc1cc(C)n(CCCN(C)c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n1 ZINC000067674755 205253954 /nfs/dbraw/zinc/25/39/54/205253954.db2.gz MHRDGQBFKOVGEE-UHFFFAOYSA-N 1 0 376.508 3.129 50 0 GGAARO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1C1CCCCCC1 ZINC000067690397 205254894 /nfs/dbraw/zinc/25/48/94/205254894.db2.gz QSBBHIVTUJMSTK-JOCHJYFZSA-N 1 0 387.499 3.381 50 0 GGAARO CC(C)([NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)c1ccccc1 ZINC000067676051 205255140 /nfs/dbraw/zinc/25/51/40/205255140.db2.gz QIPSOTUZGANKNL-QFIPXVFZSA-N 1 0 388.458 3.343 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCc3ccc(O)cc3)C2=O)cc1 ZINC000067675691 205255240 /nfs/dbraw/zinc/25/52/40/205255240.db2.gz ZOOOMHWQAKFGTI-DEOSSOPVSA-N 1 0 396.531 3.201 50 0 GGAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@H](c4nc(-c5cccnc5)no4)C3)o2)n[nH]1 ZINC000067725240 205256633 /nfs/dbraw/zinc/25/66/33/205256633.db2.gz ONFDLBGOILDIGH-HNNXBMFYSA-N 1 0 376.420 3.494 50 0 GGAARO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NCC[NH+]3CCCC3)nc2)C1 ZINC000067726479 205257251 /nfs/dbraw/zinc/25/72/51/205257251.db2.gz YXPLQBQHAXRWPT-IBGZPJMESA-N 1 0 386.540 3.057 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000067804521 205259756 /nfs/dbraw/zinc/25/97/56/205259756.db2.gz BBZKUTMDLGWMAV-JOCHJYFZSA-N 1 0 388.458 3.041 50 0 GGAARO CN1CCC[C@](O)(C[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)C1=O ZINC000067787992 205260306 /nfs/dbraw/zinc/26/03/06/205260306.db2.gz QDJLKATVKAENBU-DEOSSOPVSA-N 1 0 378.516 3.052 50 0 GGAARO C[N@@H+]1CC[C@@H](C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)C1 ZINC000067774983 205260496 /nfs/dbraw/zinc/26/04/96/205260496.db2.gz ZCKONMIRIWFIHH-OAHLLOKOSA-N 1 0 386.879 3.385 50 0 GGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[N@@H+](C)[C@H](CCO)C1 ZINC000067785259 205260639 /nfs/dbraw/zinc/26/06/39/205260639.db2.gz QZLHEZYXZURGFB-MRXNPFEDSA-N 1 0 383.414 3.167 50 0 GGAARO CC(C)([NH3+])C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067805007 205261000 /nfs/dbraw/zinc/26/10/00/205261000.db2.gz RSMZHPDHZLUKOU-UHFFFAOYSA-N 1 0 383.473 3.127 50 0 GGAARO [NH3+]C1CCN(c2ccc(C(=O)N3CCC[C@H](c4ccccc4)CC3)cn2)CC1 ZINC000067820573 205261795 /nfs/dbraw/zinc/26/17/95/205261795.db2.gz WFYPRHLBYXEWCC-IBGZPJMESA-N 1 0 378.520 3.419 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1cccc(F)c1 ZINC000067833883 205262957 /nfs/dbraw/zinc/26/29/57/205262957.db2.gz DBKJDVFWCRQUNZ-SFHVURJKSA-N 1 0 387.459 3.482 50 0 GGAARO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)s1 ZINC000067883684 205265550 /nfs/dbraw/zinc/26/55/50/205265550.db2.gz XRTBBVIYDDGRAL-SFHVURJKSA-N 1 0 382.493 3.025 50 0 GGAARO CNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc(OC)c4ccccc34)oc2C)C1 ZINC000067908751 205266220 /nfs/dbraw/zinc/26/62/20/205266220.db2.gz HACVSLCTJAHEHK-HNNXBMFYSA-N 1 0 379.460 3.380 50 0 GGAARO COc1ccc(OCc2nc(C(=O)N3CC[NH2+]C[C@H]3c3ccccc3)co2)cc1 ZINC000067908076 205266325 /nfs/dbraw/zinc/26/63/25/205266325.db2.gz NUGZCXYXAXNYHR-FQEVSTJZSA-N 1 0 393.443 3.049 50 0 GGAARO Cc1nc2cc(OCc3nc(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)co3)ccc2s1 ZINC000067872671 205267122 /nfs/dbraw/zinc/26/71/22/205267122.db2.gz CETNWOILNKBGBI-CQSZACIVSA-N 1 0 398.488 3.092 50 0 GGAARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000067934775 205267547 /nfs/dbraw/zinc/26/75/47/205267547.db2.gz MITBPGNFRVHXFN-INIZCTEOSA-N 1 0 394.475 3.216 50 0 GGAARO Cc1cccc(-c2noc(CCC(=O)N3CCCC4(CC[NH2+]CC4)CC3)n2)c1 ZINC000067947231 205268040 /nfs/dbraw/zinc/26/80/40/205268040.db2.gz XHPKVPWPAMZWJE-UHFFFAOYSA-N 1 0 382.508 3.360 50 0 GGAARO CN1CC[N@H+](C)CC12CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)CC2 ZINC000067921718 205268243 /nfs/dbraw/zinc/26/82/43/205268243.db2.gz PAINCLLUMLMXBY-UHFFFAOYSA-N 1 0 375.944 3.000 50 0 GGAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067954962 205268742 /nfs/dbraw/zinc/26/87/42/205268742.db2.gz AUWALTHNDUVKEW-NRFANRHFSA-N 1 0 386.499 3.227 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]Cc1cc2cc(F)ccc2[nH]1 ZINC000067956010 205270100 /nfs/dbraw/zinc/27/01/00/205270100.db2.gz BOBSZHBASJFVNO-QFIPXVFZSA-N 1 0 399.441 3.089 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCCC[C@@H]3c3cccnc3)cnn2c1 ZINC000067967559 205270268 /nfs/dbraw/zinc/27/02/68/205270268.db2.gz CAPUAGSJRHFDNS-HXUWFJFHSA-N 1 0 392.507 3.334 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1cc2cc(F)ccc2[nH]1 ZINC000067956012 205271081 /nfs/dbraw/zinc/27/10/81/205271081.db2.gz BOBSZHBASJFVNO-JOCHJYFZSA-N 1 0 399.441 3.089 50 0 GGAARO c1nnnn1CCC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067457867 205246607 /nfs/dbraw/zinc/24/66/07/205246607.db2.gz XZYCLGXSEXYCIG-UHFFFAOYSA-N 1 0 386.459 3.444 50 0 GGAARO Cc1nc2cc(OCc3nc(C(=O)NC(C)(C)C[NH+](C)C)co3)ccc2s1 ZINC000067446901 205247446 /nfs/dbraw/zinc/24/74/46/205247446.db2.gz XYNRLULBVIPCCO-UHFFFAOYSA-N 1 0 388.493 3.242 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc4ncccc34)CC2)C1 ZINC000067459792 205248458 /nfs/dbraw/zinc/24/84/58/205248458.db2.gz MNGYXZKMKLGLJR-LJQANCHMSA-N 1 0 392.547 3.190 50 0 GGAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccc4c(c3)OCO4)nc2)C1 ZINC000071575145 205284615 /nfs/dbraw/zinc/28/46/15/205284615.db2.gz RQFKWEOPCWHXSF-INIZCTEOSA-N 1 0 381.476 3.185 50 0 GGAARO CC(C)N(CC1CC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071440504 205284928 /nfs/dbraw/zinc/28/49/28/205284928.db2.gz UKRHJXDCIWRFJY-QFIPXVFZSA-N 1 0 398.595 3.405 50 0 GGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071498198 205284952 /nfs/dbraw/zinc/28/49/52/205284952.db2.gz SKRNBXBCRGGRHF-OAQYLSRUSA-N 1 0 386.515 3.435 50 0 GGAARO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071523658 205285573 /nfs/dbraw/zinc/28/55/73/205285573.db2.gz JNZKZXDYKDIVJU-NRFANRHFSA-N 1 0 395.547 3.315 50 0 GGAARO CCc1[nH]c2c(cc(F)cc2CNC(=O)CC[C@@H](C)[NH+]2CCOCC2)c1C ZINC000071479595 205285603 /nfs/dbraw/zinc/28/56/03/205285603.db2.gz GLKVUZGDWPXUAS-CQSZACIVSA-N 1 0 375.488 3.295 50 0 GGAARO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n(C)n1 ZINC000071614764 205285931 /nfs/dbraw/zinc/28/59/31/205285931.db2.gz AADCPEXTKFLTEJ-OAQYLSRUSA-N 1 0 386.515 3.494 50 0 GGAARO Cc1cnn(CCC[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071639388 205285994 /nfs/dbraw/zinc/28/59/94/205285994.db2.gz SMJPBSHQZWCEGW-OAQYLSRUSA-N 1 0 386.515 3.480 50 0 GGAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(=O)[nH]1 ZINC000071745656 205287722 /nfs/dbraw/zinc/28/77/22/205287722.db2.gz DLQJEOWCUBTVDL-HXUWFJFHSA-N 1 0 385.483 3.195 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccccc3)CC2)C1)N1CCCC1 ZINC000071721526 205287996 /nfs/dbraw/zinc/28/79/96/205287996.db2.gz UMAGKMJHFSTCPG-FLVSMNSFSA-N 1 0 381.564 3.499 50 0 GGAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+]C1Cc2ccccc2C1 ZINC000071748614 205288984 /nfs/dbraw/zinc/28/89/84/205288984.db2.gz CGCSAQFPLXQTTQ-UHFFFAOYSA-N 1 0 377.488 3.246 50 0 GGAARO CNc1nc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc(C)[nH+]1 ZINC000071747423 205289468 /nfs/dbraw/zinc/28/94/68/205289468.db2.gz KDHFWSMAFQGMKG-GOSISDBHSA-N 1 0 385.487 3.229 50 0 GGAARO CNc1nc(C)c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)s1 ZINC000071747730 205289760 /nfs/dbraw/zinc/28/97/60/205289760.db2.gz FFXUKOBGTBPTFF-KZNAEPCWSA-N 1 0 382.533 3.196 50 0 GGAARO CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071747057 205290072 /nfs/dbraw/zinc/29/00/72/205290072.db2.gz JCELQUQFDMPRSJ-OAQYLSRUSA-N 1 0 396.535 3.010 50 0 GGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000071750950 205290475 /nfs/dbraw/zinc/29/04/75/205290475.db2.gz ZUNMKPBMWYTVOJ-FQEVSTJZSA-N 1 0 398.576 3.136 50 0 GGAARO CCn1cc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000071753133 205291104 /nfs/dbraw/zinc/29/11/04/205291104.db2.gz XGTOENYDHUBVDG-YTFSRNRJSA-N 1 0 380.536 3.282 50 0 GGAARO Cc1ccc(C)c(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000071750658 205291224 /nfs/dbraw/zinc/29/12/24/205291224.db2.gz RWRXCDNZCLAKIB-FQEVSTJZSA-N 1 0 397.563 3.033 50 0 GGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000071750949 205291273 /nfs/dbraw/zinc/29/12/73/205291273.db2.gz ZUNMKPBMWYTVOJ-HXUWFJFHSA-N 1 0 398.576 3.136 50 0 GGAARO CCc1ncc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071751972 205291433 /nfs/dbraw/zinc/29/14/33/205291433.db2.gz WDRXHVYLFFZQDV-FQEVSTJZSA-N 1 0 384.499 3.437 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000071752733 205291772 /nfs/dbraw/zinc/29/17/72/205291772.db2.gz UGYNPDTVHKHABI-CQSZACIVSA-N 1 0 396.457 3.060 50 0 GGAARO O=C(NC1CC=CC1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071753627 205291881 /nfs/dbraw/zinc/29/18/81/205291881.db2.gz FUNCIGVBSACCKT-NRFANRHFSA-N 1 0 381.564 3.240 50 0 GGAARO COc1cccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1OCC[NH+](C)C ZINC000071762404 205293055 /nfs/dbraw/zinc/29/30/55/205293055.db2.gz IXIXIZCLWDTXSQ-NRFANRHFSA-N 1 0 388.483 3.348 50 0 GGAARO CC(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCC[N@@H+]1CC1CC1 ZINC000071762149 205293157 /nfs/dbraw/zinc/29/31/57/205293157.db2.gz YYRGRBVTOQCSQB-NRFANRHFSA-N 1 0 383.536 3.396 50 0 GGAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)nc2)C1 ZINC000071757226 205293352 /nfs/dbraw/zinc/29/33/52/205293352.db2.gz WYTLQIPTZYMEPA-KRWDZBQOSA-N 1 0 395.503 3.228 50 0 GGAARO O=C(NCc1ccoc1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071761455 205293530 /nfs/dbraw/zinc/29/35/30/205293530.db2.gz PWUYAMKZLDIFCD-JOCHJYFZSA-N 1 0 395.547 3.315 50 0 GGAARO Cc1ccc(F)cc1Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000071759517 205294139 /nfs/dbraw/zinc/29/41/39/205294139.db2.gz GFIKLAJGZIODQC-UHFFFAOYSA-N 1 0 380.467 3.056 50 0 GGAARO CC[NH+](CC)CC[C@]1(c2ccccc2)c2ccccc2N(N2CCOCC2)C1=O ZINC000071767306 205295194 /nfs/dbraw/zinc/29/51/94/205295194.db2.gz IIQWKNCAWJWBHP-DEOSSOPVSA-N 1 0 393.531 3.298 50 0 GGAARO CC[C@]1(O)CCC[N@H+](Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 ZINC000071764566 205295723 /nfs/dbraw/zinc/29/57/23/205295723.db2.gz GBGSVJUJWATMDR-QFIPXVFZSA-N 1 0 384.524 3.006 50 0 GGAARO CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071774948 205296631 /nfs/dbraw/zinc/29/66/31/205296631.db2.gz KGXUPFUBFBPSJI-HXUWFJFHSA-N 1 0 396.535 3.010 50 0 GGAARO Cc1ccccc1NC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071771109 205296845 /nfs/dbraw/zinc/29/68/45/205296845.db2.gz SOMQMJLDTAZHAE-LJQANCHMSA-N 1 0 398.551 3.326 50 0 GGAARO CNc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071774832 205297218 /nfs/dbraw/zinc/29/72/18/205297218.db2.gz VHFTXBTXMKONDI-LJQANCHMSA-N 1 0 385.487 3.030 50 0 GGAARO Cc1cc(S(=O)(=O)N2CCCSC[C@H]2C[NH+](C)C)c(Cl)cc1Cl ZINC000090608981 205275054 /nfs/dbraw/zinc/27/50/54/205275054.db2.gz NVOFPMGEMNKTNB-GFCCVEGCSA-N 1 0 397.393 3.360 50 0 GGAARO Cn1ncc2c1nc(C(C)(C)C)nc2NC1CC[NH+](Cc2cccnc2)CC1 ZINC000072119520 205304289 /nfs/dbraw/zinc/30/42/89/205304289.db2.gz JZFVCMVWZBNCTR-UHFFFAOYSA-N 1 0 379.512 3.132 50 0 GGAARO COc1cccc(-c2n[nH]cc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000072329251 205326118 /nfs/dbraw/zinc/32/61/18/205326118.db2.gz YMLRTYDPMCZNQP-UHFFFAOYSA-N 1 0 390.487 3.480 50 0 GGAARO Cc1nccn1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072120776 205305722 /nfs/dbraw/zinc/30/57/22/205305722.db2.gz BOJPTWOEFQVUOY-NRFANRHFSA-N 1 0 386.515 3.480 50 0 GGAARO CC(C)C(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072129118 205306829 /nfs/dbraw/zinc/30/68/29/205306829.db2.gz BLTUPQZFUKOGML-RTWAWAEBSA-N 1 0 379.504 3.115 50 0 GGAARO CCc1ncc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072132966 205306974 /nfs/dbraw/zinc/30/69/74/205306974.db2.gz GVSUWKVPMVPCSH-CEMLEFRQSA-N 1 0 376.504 3.050 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NC[C@H]2CCCOC2)Cc2ccccc2C1 ZINC000072144554 205309680 /nfs/dbraw/zinc/30/96/80/205309680.db2.gz MEYPRXKLUICPNU-OAQYLSRUSA-N 1 0 392.543 3.241 50 0 GGAARO C[NH+](C)[C@H]1CCCN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072145784 205309764 /nfs/dbraw/zinc/30/97/64/205309764.db2.gz DOXXCFDCCFCBDQ-NRFANRHFSA-N 1 0 376.508 3.309 50 0 GGAARO C/C=C/C[N@@H+]1CCCn2nc(CN(C)Cc3ccc4nsnc4c3)cc2C1 ZINC000072143586 205310089 /nfs/dbraw/zinc/31/00/89/205310089.db2.gz WWRPEBQEHXPURV-ONEGZZNKSA-N 1 0 382.537 3.302 50 0 GGAARO CCc1nccc(C[N@@H+]2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072149898 205310360 /nfs/dbraw/zinc/31/03/60/205310360.db2.gz NWWWKHGRFSNNBJ-UEVCKROQSA-N 1 0 378.520 3.110 50 0 GGAARO CC(C)c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n(C)n1 ZINC000072150444 205310883 /nfs/dbraw/zinc/31/08/83/205310883.db2.gz AFHDSXNHHKRGPZ-STZQEDGTSA-N 1 0 378.520 3.246 50 0 GGAARO Cc1nn(C)c(C)c1C(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072146658 205311409 /nfs/dbraw/zinc/31/14/09/205311409.db2.gz JCLBAFAYRZCAOW-CEMLEFRQSA-N 1 0 378.520 3.048 50 0 GGAARO Cc1noc2nc(C)nc(N3C[C@H](c4ccccc4)[C@@H]4[C@H]3C3CC[NH+]4CC3)c12 ZINC000072147854 205311426 /nfs/dbraw/zinc/31/14/26/205311426.db2.gz ANYOSRUZIOMQGN-MISYRCLQSA-N 1 0 375.476 3.301 50 0 GGAARO CC(C)NC(=O)C[N@@H+]1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000072148593 205311708 /nfs/dbraw/zinc/31/17/08/205311708.db2.gz YWHOTBPJFGKTDH-QGZVFWFLSA-N 1 0 379.495 3.023 50 0 GGAARO COc1cccc([C@@H]2CN(C(=O)c3cccc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072146122 205311880 /nfs/dbraw/zinc/31/18/80/205311880.db2.gz VURAOSDJLUOLSF-KSEOMHKRSA-N 1 0 377.488 3.101 50 0 GGAARO CCc1ccc(CN(Cc2ccccc2OC)C(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000072153010 205312906 /nfs/dbraw/zinc/31/29/06/205312906.db2.gz OGYWOORDAXYQGR-NRFANRHFSA-N 1 0 382.504 3.165 50 0 GGAARO COc1cccc([C@@H]2CN(C(=O)c3cncc(C)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072159288 205312930 /nfs/dbraw/zinc/31/29/30/205312930.db2.gz PXMVGCZMYDXBHE-BHDDXSALSA-N 1 0 377.488 3.101 50 0 GGAARO CCCc1ncncc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072152295 205313691 /nfs/dbraw/zinc/31/36/91/205313691.db2.gz VLKJSGNDAKBDHU-CEMLEFRQSA-N 1 0 376.504 3.132 50 0 GGAARO COc1ccccc1[C@@H]1CN(C(=O)NCc2ccco2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072158274 205313758 /nfs/dbraw/zinc/31/37/58/205313758.db2.gz UQMDDXGDLSPZLU-CEWLAPEOSA-N 1 0 381.476 3.060 50 0 GGAARO COc1ccc([C@@H]2C[N@H+](Cc3cc(OC)ccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072166729 205314988 /nfs/dbraw/zinc/31/49/88/205314988.db2.gz BTTQUSVDHLUYRQ-YTFSRNRJSA-N 1 0 379.504 3.161 50 0 GGAARO Cc1nc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000072171507 205315129 /nfs/dbraw/zinc/31/51/29/205315129.db2.gz AFANYCVDZXCROU-DUXKGJEZSA-N 1 0 383.517 3.242 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3cccc(O)c3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072164101 205316405 /nfs/dbraw/zinc/31/64/05/205316405.db2.gz WELAUSWONYDXQF-YMPZKCBVSA-N 1 0 392.499 3.412 50 0 GGAARO C[N@@H+]1CC[C@@H](NC(=O)c2cn(C3CCCCC3)nn2)[C@@H](Cc2ccccc2)C1 ZINC000072174476 205317738 /nfs/dbraw/zinc/31/77/38/205317738.db2.gz BULLJFWARUKRRS-AZUAARDMSA-N 1 0 381.524 3.076 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CN(CCc4ccccc4)C(=O)O3)CC2)cc1O ZINC000072425667 205349858 /nfs/dbraw/zinc/34/98/58/205349858.db2.gz PYFALDXLNINMIA-UHFFFAOYSA-N 1 0 396.487 3.430 50 0 GGAARO COCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000072423517 205349953 /nfs/dbraw/zinc/34/99/53/205349953.db2.gz NXJUFKVBYDQNTG-UHFFFAOYSA-N 1 0 379.460 3.405 50 0 GGAARO Cn1ncc2c1nc(-c1ccncc1)nc2NC[C@@H](c1cccs1)[NH+](C)C ZINC000072434799 205351604 /nfs/dbraw/zinc/35/16/04/205351604.db2.gz VCQVEYLGBZSMIM-HNNXBMFYSA-N 1 0 379.493 3.202 50 0 GGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4ccco4)C3)C2=O)c1OC ZINC000072458699 205351964 /nfs/dbraw/zinc/35/19/64/205351964.db2.gz CNRNXHIUYYBKSS-JOCHJYFZSA-N 1 0 384.476 3.312 50 0 GGAARO CC(C)c1ccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(=O)[nH]1 ZINC000072447265 205351997 /nfs/dbraw/zinc/35/19/97/205351997.db2.gz PQWGBGAOLFCQHK-UHFFFAOYSA-N 1 0 383.536 3.225 50 0 GGAARO O=C1CC[C@H]2C[N@H+](Cc3ccc4occc4c3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072462629 205352232 /nfs/dbraw/zinc/35/22/32/205352232.db2.gz LHWJEVKYGQBARA-AZUAARDMSA-N 1 0 378.476 3.212 50 0 GGAARO CC(C)c1nc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)cs1 ZINC000072454716 205352548 /nfs/dbraw/zinc/35/25/48/205352548.db2.gz FCNHKHJYGUNVQL-UHFFFAOYSA-N 1 0 380.521 3.419 50 0 GGAARO COC(=O)c1n[nH]cc1CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072462830 205353058 /nfs/dbraw/zinc/35/30/58/205353058.db2.gz DJSVTXWPDWCJHW-JOCHJYFZSA-N 1 0 382.508 3.075 50 0 GGAARO C/C=C/C[N@@H+]1CCCn2nc(CN(C)Cc3nc4c(cccc4C)[nH]3)cc2C1 ZINC000072438458 205353228 /nfs/dbraw/zinc/35/32/28/205353228.db2.gz FOUFCRKGJOUXJU-SNAWJCMRSA-N 1 0 378.524 3.482 50 0 GGAARO O[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C1 ZINC000072473437 205354105 /nfs/dbraw/zinc/35/41/05/205354105.db2.gz WZEAGMDLUGZTBU-QFIPXVFZSA-N 1 0 381.520 3.082 50 0 GGAARO CN(Cc1cnccn1)c1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072478344 205354123 /nfs/dbraw/zinc/35/41/23/205354123.db2.gz PLTXKQFBBNEMHY-UHFFFAOYSA-N 1 0 394.910 3.226 50 0 GGAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CC[C@H](O)[C@@H](O)C1 ZINC000072479737 205354662 /nfs/dbraw/zinc/35/46/62/205354662.db2.gz DJCKDGUOPHIMKY-SFTDATJTSA-N 1 0 399.441 3.053 50 0 GGAARO CN(CCC[NH+](C)C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C ZINC000077485784 205364053 /nfs/dbraw/zinc/36/40/53/205364053.db2.gz GEMKQSLUQKBSRX-UHFFFAOYSA-N 1 0 385.899 3.312 50 0 GGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3C[C@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000015084251 205357337 /nfs/dbraw/zinc/35/73/37/205357337.db2.gz LREAQPNCHAYYIL-GGPKGHCWSA-N 1 0 398.503 3.397 50 0 GGAARO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](CCSC(C)C)C3)CCC2=O)cn1 ZINC000077299446 205357693 /nfs/dbraw/zinc/35/76/93/205357693.db2.gz IHOAMGGISWPDHB-FQEVSTJZSA-N 1 0 376.570 3.131 50 0 GGAARO Cn1c2ncc(C(=O)NCC[NH+]3CCCC3)cc2nc1-c1ccccc1Cl ZINC000077320771 205358466 /nfs/dbraw/zinc/35/84/66/205358466.db2.gz HGDMJXDLAFXVBS-UHFFFAOYSA-N 1 0 383.883 3.114 50 0 GGAARO C[C@H](C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077340803 205358489 /nfs/dbraw/zinc/35/84/89/205358489.db2.gz FARHWUZPAINVCH-OAHLLOKOSA-N 1 0 383.458 3.194 50 0 GGAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3cccc4ncccc34)C2)CCC1=O ZINC000077323186 205358842 /nfs/dbraw/zinc/35/88/42/205358842.db2.gz FUQTYYNAHKVZBE-QHCPKHFHSA-N 1 0 381.520 3.476 50 0 GGAARO Cn1nc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c2c1CCCC2 ZINC000077340469 205358901 /nfs/dbraw/zinc/35/89/01/205358901.db2.gz LRMWLBPGDQBICA-UHFFFAOYSA-N 1 0 382.552 3.026 50 0 GGAARO Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](NC(=O)c4cccnc4)[C@H](O)C3)o2)cc1 ZINC000077353633 205359443 /nfs/dbraw/zinc/35/94/43/205359443.db2.gz MMJMDDCTDWEZKD-NHCUHLMSSA-N 1 0 391.471 3.015 50 0 GGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](CCc2ccccn2)CC3)c1 ZINC000077322223 205359549 /nfs/dbraw/zinc/35/95/49/205359549.db2.gz WZZSCCCUYYFJJX-UHFFFAOYSA-N 1 0 379.504 3.147 50 0 GGAARO NC(=O)COc1ccc(CN2CCC[N@@H+](C3CCCCC3)CC2)cc1Cl ZINC000077340694 205359698 /nfs/dbraw/zinc/35/96/98/205359698.db2.gz LOXUHPCJVSISNB-UHFFFAOYSA-N 1 0 379.932 3.045 50 0 GGAARO CCN(CC[NH+](C)C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C ZINC000077469793 205361892 /nfs/dbraw/zinc/36/18/92/205361892.db2.gz OJTSFGGFTNDJQH-UHFFFAOYSA-N 1 0 385.899 3.312 50 0 GGAARO [NH3+]C1(C(=O)Nc2nn(CC(F)(F)F)c3cccc(Oc4cccnc4)c32)CC1 ZINC000077457538 205361982 /nfs/dbraw/zinc/36/19/82/205361982.db2.gz DDXSRZYANBCOAA-UHFFFAOYSA-N 1 0 391.353 3.216 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2C1 ZINC000077458457 205362571 /nfs/dbraw/zinc/36/25/71/205362571.db2.gz DZAZFEUNJPQLGQ-HNNXBMFYSA-N 1 0 390.915 3.092 50 0 GGAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cn1 ZINC000077436970 205362704 /nfs/dbraw/zinc/36/27/04/205362704.db2.gz LVQMIDAPQGOHNJ-QGZVFWFLSA-N 1 0 380.471 3.451 50 0 GGAARO CCC(CC)CN1CC2(CCN(C(=O)[C@@H]([NH2+]C)c3ccccc3)CC2)OC1=O ZINC000077407950 205363093 /nfs/dbraw/zinc/36/30/93/205363093.db2.gz PYFXJJUYVOSUQV-IBGZPJMESA-N 1 0 387.524 3.197 50 0 GGAARO CC(=O)N[C@@H]1C[N@H+](Cc2cnc(-c3ccco3)nc2)C[C@H]1c1ccc(C)cc1 ZINC000077487624 205363346 /nfs/dbraw/zinc/36/33/46/205363346.db2.gz HBSHUYXHHVZOHH-VQTJNVASSA-N 1 0 376.460 3.149 50 0 GGAARO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[NH+](C)CC2)c(F)c1 ZINC000072407855 205344796 /nfs/dbraw/zinc/34/47/96/205344796.db2.gz VSYQGUIEIBOASW-UHFFFAOYSA-N 1 0 380.467 3.434 50 0 GGAARO CO[C@H]1[C@H](NC(=O)c2c(F)ccc(C)c2F)c2ccccc2C12CC[NH2+]CC2 ZINC000072406891 205344950 /nfs/dbraw/zinc/34/49/50/205344950.db2.gz ICAGJAXWCAHEOS-UXHICEINSA-N 1 0 386.442 3.394 50 0 GGAARO COc1cccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)c1 ZINC000072404825 205345248 /nfs/dbraw/zinc/34/52/48/205345248.db2.gz RGWTWVKBSNCQNA-UHFFFAOYSA-N 1 0 386.448 3.042 50 0 GGAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072412394 205347824 /nfs/dbraw/zinc/34/78/24/205347824.db2.gz OIEJBFBJUUOISD-QFIPXVFZSA-N 1 0 381.495 3.135 50 0 GGAARO CO[C@H]1[C@H](NC(=O)Cc2c(F)cccc2F)c2ccccc2C12CC[NH2+]CC2 ZINC000072426337 205348344 /nfs/dbraw/zinc/34/83/44/205348344.db2.gz BKKOOHZPZWYBSB-RTWAWAEBSA-N 1 0 386.442 3.015 50 0 GGAARO Cc1ncsc1CCCNc1nc(-c2ccccn2)nc2c1CC[NH2+]CC2 ZINC000072421753 205349119 /nfs/dbraw/zinc/34/91/19/205349119.db2.gz NCSWRJSMTMLKMB-UHFFFAOYSA-N 1 0 380.521 3.036 50 0 GGAARO CCn1ncc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000072424442 205349454 /nfs/dbraw/zinc/34/94/54/205349454.db2.gz VBMGXOIOOXUQAQ-YPAWHYETSA-N 1 0 378.520 3.222 50 0 GGAARO CCc1c[nH]nc1C1CC[NH+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000077519661 205365055 /nfs/dbraw/zinc/36/50/55/205365055.db2.gz COLLDHRPRVLGKA-UHFFFAOYSA-N 1 0 379.508 3.150 50 0 GGAARO O=C(NCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087706 205385480 /nfs/dbraw/zinc/38/54/80/205385480.db2.gz DURSMJIPSSMSEB-QFIPXVFZSA-N 1 0 398.595 3.455 50 0 GGAARO CC1(C)CCCN1C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087589 205385751 /nfs/dbraw/zinc/38/57/51/205385751.db2.gz JWYDBBOTQNUITQ-FQEVSTJZSA-N 1 0 384.568 3.159 50 0 GGAARO O=C(CSCC1CC1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082120497 205386579 /nfs/dbraw/zinc/38/65/79/205386579.db2.gz KQXUMEFWYHPAIP-UHFFFAOYSA-N 1 0 376.570 3.181 50 0 GGAARO CCc1noc(C)c1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082106810 205386707 /nfs/dbraw/zinc/38/67/07/205386707.db2.gz PMOYONPSSQLZHN-UHFFFAOYSA-N 1 0 385.512 3.210 50 0 GGAARO CC(C)C1(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082128023 205387002 /nfs/dbraw/zinc/38/70/02/205387002.db2.gz JTVORVRRMAEZQW-OAQYLSRUSA-N 1 0 398.595 3.310 50 0 GGAARO Cc1cccc(-c2ncc(C(=O)N(C)Cc3ccccc3C[NH+](C)C)c(=O)[nH]2)c1 ZINC000082120014 205387289 /nfs/dbraw/zinc/38/72/89/205387289.db2.gz ZIWCGNFRURRWID-UHFFFAOYSA-N 1 0 390.487 3.491 50 0 GGAARO CN(CC(C)(C)C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082121708 205388205 /nfs/dbraw/zinc/38/82/05/205388205.db2.gz AXQKDOYZZVOGRS-FQEVSTJZSA-N 1 0 386.584 3.263 50 0 GGAARO O=C(NCCC1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082107769 205388323 /nfs/dbraw/zinc/38/83/23/205388323.db2.gz STFJEKKYUJIBQL-JOCHJYFZSA-N 1 0 398.595 3.455 50 0 GGAARO C[N@@H+]1CC[C@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000082157442 205388957 /nfs/dbraw/zinc/38/89/57/205388957.db2.gz NEVMYYPOQNWVLY-IBGZPJMESA-N 1 0 399.485 3.150 50 0 GGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccc(Cl)cc3OC)cc2C1 ZINC000082170760 205389614 /nfs/dbraw/zinc/38/96/14/205389614.db2.gz XOICDEXLEHKWRB-UHFFFAOYSA-N 1 0 376.888 3.091 50 0 GGAARO O=C1Nc2ccccc2NC12CC[NH+]([C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000082171024 205390111 /nfs/dbraw/zinc/39/01/11/205390111.db2.gz MQMVBKPJTVXLAW-SFHVURJKSA-N 1 0 380.467 3.303 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)c3ccc(C)cc3C)[nH+]c(C)n2)c1C ZINC000082230614 205390395 /nfs/dbraw/zinc/39/03/95/205390395.db2.gz BMRVRMKXHIRNKN-UHFFFAOYSA-N 1 0 378.480 3.046 50 0 GGAARO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000084699897 205399450 /nfs/dbraw/zinc/39/94/50/205399450.db2.gz BXIHDSGTNAGLAG-LNRXMEIDSA-N 1 0 393.616 3.091 50 0 GGAARO CCSc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000091551989 205417807 /nfs/dbraw/zinc/41/78/07/205417807.db2.gz LMWJXWXPXGQMPF-HZPDHXFCSA-N 1 0 382.595 3.417 50 0 GGAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000091586806 205418385 /nfs/dbraw/zinc/41/83/85/205418385.db2.gz MVKNJZWGXQTEIR-UHFFFAOYSA-N 1 0 390.531 3.053 50 0 GGAARO COc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)c1 ZINC000091635540 205420215 /nfs/dbraw/zinc/42/02/15/205420215.db2.gz CYAUZCGSDSFNIS-UHFFFAOYSA-N 1 0 394.519 3.198 50 0 GGAARO COc1ccc2cc([C@@H](C(=O)[O-])[NH+]3CCC(OCC[NH+](C)C)CC3)ccc2c1 ZINC000095361216 205443144 /nfs/dbraw/zinc/44/31/44/205443144.db2.gz ALGHUAYQKWQEPA-NRFANRHFSA-N 1 0 386.492 3.017 50 0 GGAARO O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095382261 205450386 /nfs/dbraw/zinc/45/03/86/205450386.db2.gz CGYMBDCZQARFFL-HXUWFJFHSA-N 1 0 383.536 3.065 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ccc(F)cc2)CC3)cn1 ZINC000091914955 205429375 /nfs/dbraw/zinc/42/93/75/205429375.db2.gz VJIHQXPMHONQDP-UHFFFAOYSA-N 1 0 382.483 3.329 50 0 GGAARO Cc1ocnc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095497486 205468102 /nfs/dbraw/zinc/46/81/02/205468102.db2.gz RKYRIRKPXGIYLH-LJQANCHMSA-N 1 0 375.513 3.259 50 0 GGAARO CCc1ccccc1C[NH+]1CCC(c2nnc(Cn3ccnc3)n2CC)CC1 ZINC000096162321 205538545 /nfs/dbraw/zinc/53/85/45/205538545.db2.gz KVPKFJMNKZTTJU-UHFFFAOYSA-N 1 0 378.524 3.485 50 0 GGAARO CC(C)Oc1cccc2c1c(NC(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)nn2Cc1ccccc1 ZINC000102800681 205636019 /nfs/dbraw/zinc/63/60/19/205636019.db2.gz KMFVSNZRDZLXDN-YRWFTTLQSA-N 1 0 390.487 3.276 50 0 GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)on1 ZINC000011694237 205869113 /nfs/dbraw/zinc/86/91/13/205869113.db2.gz UWTNXGJRCGUQCL-UHFFFAOYSA-N 1 0 380.420 3.469 50 0 GGAARO CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000019221699 205920387 /nfs/dbraw/zinc/92/03/87/205920387.db2.gz NDRNWPPGSKSCQA-FQEVSTJZSA-N 1 0 389.503 3.042 50 0 GGAARO CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127387 205972820 /nfs/dbraw/zinc/97/28/20/205972820.db2.gz VTCUXZHUOHRZAL-UHFFFAOYSA-N 1 0 375.538 3.118 50 0 GGAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(OC)c1 ZINC000225411994 206044969 /nfs/dbraw/zinc/04/49/69/206044969.db2.gz YUXAODGCWGZBGA-DNVCBOLYSA-N 1 0 398.507 3.088 50 0 biogenic GGAARO O=C(N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000225685274 206067136 /nfs/dbraw/zinc/06/71/36/206067136.db2.gz OLMKKCCIAWJEIF-QHCPKHFHSA-N 1 0 390.527 3.394 50 0 GGAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000062012612 206103562 /nfs/dbraw/zinc/10/35/62/206103562.db2.gz GVMVLUJUUAEYCT-UHFFFAOYSA-N 1 0 378.864 3.112 50 0 GGAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000230027941 206110008 /nfs/dbraw/zinc/11/00/08/206110008.db2.gz DDSMXWPMRPIZSL-DNVCBOLYSA-N 1 0 396.487 3.432 50 0 GGAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230000304 206110807 /nfs/dbraw/zinc/11/08/07/206110807.db2.gz FFEYSIPRSWWECA-APWZRJJASA-N 1 0 382.508 3.039 50 0 GGAARO c1coc(-c2ncc(C[N@@H+]3CCC[C@@]4(C5=CCOCC5)COCC[C@H]34)cn2)c1 ZINC000252488627 206140664 /nfs/dbraw/zinc/14/06/64/206140664.db2.gz IVUWNIWNYLVIIU-UNMCSNQZSA-N 1 0 381.476 3.454 50 0 GGAARO Cc1cc(-c2ccccc2)nc(CN2CCC([C@H](C)[NH+]3CCOCC3)CC2)n1 ZINC000252509110 206142322 /nfs/dbraw/zinc/14/23/22/206142322.db2.gz YCQBZANWTHHAGA-IBGZPJMESA-N 1 0 380.536 3.385 50 0 GGAARO COc1cccc2c1CCc1c-2n[nH]c1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252549638 206144068 /nfs/dbraw/zinc/14/40/68/206144068.db2.gz RLSUBUSSJLDJHK-BEFAXECRSA-N 1 0 394.519 3.178 50 0 GGAARO COc1ccccc1-c1noc(CCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000252538980 206144298 /nfs/dbraw/zinc/14/42/98/206144298.db2.gz NOYZZEFZYSALOA-SJLPKXTDSA-N 1 0 398.507 3.059 50 0 GGAARO CCc1oc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1C[NH+]1CCCC1 ZINC000243956975 206128161 /nfs/dbraw/zinc/12/81/61/206128161.db2.gz CFCJDGXKPUKLRA-WJPUGNRLSA-N 1 0 383.492 3.075 50 0 GGAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000244652018 206128185 /nfs/dbraw/zinc/12/81/85/206128185.db2.gz GYHRYDKHQUNSAW-ATZDWAIDSA-N 1 0 376.928 3.017 50 0 GGAARO COc1ccc(Cl)cc1CN(C)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000243893630 206128478 /nfs/dbraw/zinc/12/84/78/206128478.db2.gz ASVBYCIWUHZZQS-NNUKFRKNSA-N 1 0 375.904 3.112 50 0 GGAARO O=C(CC[N@@H+]1CCC[C@H](CN2CCCC2=O)C1)Nc1ccc(F)c(Cl)c1 ZINC000244574821 206128562 /nfs/dbraw/zinc/12/85/62/206128562.db2.gz CSAFRQSDCIMYEL-AWEZNQCLSA-N 1 0 381.879 3.142 50 0 GGAARO C[NH+]1CCC(C(=O)NCCc2nc3cc(F)ccc3[nH]2)(c2ccccc2)CC1 ZINC000244763869 206130991 /nfs/dbraw/zinc/13/09/91/206130991.db2.gz OWWJGVGBGOHEHP-UHFFFAOYSA-N 1 0 380.467 3.024 50 0 GGAARO Cc1ccc2c(N3CC[C@@H](NC(=O)c4ccccc4)[C@H](O)C3)cc[nH+]c2c1C ZINC000244884087 206132065 /nfs/dbraw/zinc/13/20/65/206132065.db2.gz YEYSHMLKEULQLO-TZIWHRDSSA-N 1 0 375.472 3.221 50 0 GGAARO CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]2CCC[N@@H+]2[C@]12c1ccccc1NC2=O ZINC000252586912 206146299 /nfs/dbraw/zinc/14/62/99/206146299.db2.gz ULFMCIGWGKGASG-ISHFTEKXSA-N 1 0 376.456 3.275 50 0 GGAARO CCCCc1nc(C[NH+]2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)c[nH]1 ZINC000299754962 206184174 /nfs/dbraw/zinc/18/41/74/206184174.db2.gz AFYMSDMFBAAGHR-GOSISDBHSA-N 1 0 376.545 3.038 50 0 GGAARO Cc1ccc2cc(-c3cccc(C(=O)NC[C@@]4(O)CCC[NH2+]C4)c3)ccc2n1 ZINC000299757951 206184403 /nfs/dbraw/zinc/18/44/03/206184403.db2.gz LQBXLHPGTQKEPJ-HSZRJFAPSA-N 1 0 375.472 3.055 50 0 GGAARO Cc1ccn2cc(CN3C(=O)CC[C@@H]3CC[NH2+]Cc3ccccc3F)nc2c1 ZINC000299758877 206185663 /nfs/dbraw/zinc/18/56/63/206185663.db2.gz DWRKHLHPUGANCT-LJQANCHMSA-N 1 0 380.467 3.453 50 0 GGAARO O=C([C@H]1CC12CC[NH+](CC1CC1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000299759525 206186227 /nfs/dbraw/zinc/18/62/27/206186227.db2.gz UAFFQUZNZULPMR-KURNWNDPSA-N 1 0 393.575 3.356 50 0 GGAARO O=C1C[C@H](C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1c1ccccc1 ZINC000299761004 206187026 /nfs/dbraw/zinc/18/70/26/206187026.db2.gz QGDYJYVWTNRHIP-HXUWFJFHSA-N 1 0 381.495 3.387 50 0 GGAARO O=C1C[C@@H](C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)CN1c1ccccc1 ZINC000299768849 206187632 /nfs/dbraw/zinc/18/76/32/206187632.db2.gz MXWGABQAPXSQPG-KRWDZBQOSA-N 1 0 380.492 3.255 50 0 GGAARO COCCc1noc([C@H](C)NC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000299773253 206188466 /nfs/dbraw/zinc/18/84/66/206188466.db2.gz BURKIJMEOCNXFE-HNNXBMFYSA-N 1 0 387.484 3.127 50 0 GGAARO COc1ccccc1-c1cccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000299768315 206188616 /nfs/dbraw/zinc/18/86/16/206188616.db2.gz TUDPDPJKMMVZJM-HXUWFJFHSA-N 1 0 382.504 3.329 50 0 GGAARO CC(C)CC[C@]1(C2CC[NH+](Cc3ccc4cccnc4c3)CC2)NC(=O)NC1=O ZINC000299771597 206188746 /nfs/dbraw/zinc/18/87/46/206188746.db2.gz RKCKJWDWOHLBDL-HSZRJFAPSA-N 1 0 394.519 3.461 50 0 GGAARO COc1cccc(CC2=NO[C@@H](C(=O)NCC3([NH+]4CCCCC4)CCCC3)C2)c1 ZINC000299773615 206188840 /nfs/dbraw/zinc/18/88/40/206188840.db2.gz DSBNGLZSHDXUKD-OAQYLSRUSA-N 1 0 399.535 3.298 50 0 GGAARO CC(=O)N1CCCN(c2nc(C[N@@H+](C)CC(C)C)nc3c(C)cccc32)CC1 ZINC000299773622 206189100 /nfs/dbraw/zinc/18/91/00/206189100.db2.gz DTQBIUFVEHXYTH-UHFFFAOYSA-N 1 0 383.540 3.085 50 0 GGAARO O=C(c1cccc(-c2ccc(F)cc2)c1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000299786379 206189476 /nfs/dbraw/zinc/18/94/76/206189476.db2.gz XADNEGCQEZFJGK-JOCHJYFZSA-N 1 0 382.479 3.412 50 0 GGAARO CCSc1nc2ccc(NC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3OC)cc2o1 ZINC000299788883 206189915 /nfs/dbraw/zinc/18/99/15/206189915.db2.gz WWOVNQLUTUQJAJ-HOCLYGCPSA-N 1 0 378.498 3.169 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)o1 ZINC000299786698 206190514 /nfs/dbraw/zinc/19/05/14/206190514.db2.gz OXVUXUYLLSWUNE-UHFFFAOYSA-N 1 0 379.460 3.484 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)Nc1ccc2c(c1)CC(=O)N2 ZINC000299786231 206190775 /nfs/dbraw/zinc/19/07/75/206190775.db2.gz KHPGBASERKRHOJ-KRWDZBQOSA-N 1 0 378.476 3.182 50 0 GGAARO CCc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)cc(C)n1Cc1cccs1 ZINC000299797592 206191491 /nfs/dbraw/zinc/19/14/91/206191491.db2.gz RVYJJRHTHUINMI-INIZCTEOSA-N 1 0 387.549 3.043 50 0 GGAARO Cc1cc2n(n1)CCCN(C(=O)Nc1ccccc1OC1CC[NH+](C)CC1)C2 ZINC000299791417 206191862 /nfs/dbraw/zinc/19/18/62/206191862.db2.gz FRAGPLXLASCXCO-UHFFFAOYSA-N 1 0 383.496 3.102 50 0 GGAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N(CCO)Cc1ccc(F)cc1 ZINC000299790837 206191891 /nfs/dbraw/zinc/19/18/91/206191891.db2.gz BVFHGURZVFTHTL-BDTNDASRSA-N 1 0 382.479 3.372 50 0 GGAARO CCOCCC[NH2+][C@H]1CCc2c(sc3ncn(CCC(C)C)c(=O)c32)C1 ZINC000299789710 206192068 /nfs/dbraw/zinc/19/20/68/206192068.db2.gz AENQOQITIYQUBY-HNNXBMFYSA-N 1 0 377.554 3.378 50 0 GGAARO Cc1nc2ccc(C(=O)N3CCC[N@@H+](C4Cc5ccccc5C4)CC3)cc2o1 ZINC000299798626 206192140 /nfs/dbraw/zinc/19/21/40/206192140.db2.gz QVQSYOLBRSVIMA-UHFFFAOYSA-N 1 0 375.472 3.452 50 0 GGAARO CC(C)c1c(C(=O)N(C)CC[NH+](C)C)cnn1-c1nccc(-c2cccs2)n1 ZINC000299798458 206192267 /nfs/dbraw/zinc/19/22/67/206192267.db2.gz RTVOOMTYGOYDCY-UHFFFAOYSA-N 1 0 398.536 3.148 50 0 GGAARO COC(=O)c1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000299799579 206192346 /nfs/dbraw/zinc/19/23/46/206192346.db2.gz SWIJTUGHQUWSBJ-UHFFFAOYSA-N 1 0 385.464 3.408 50 0 GGAARO C[C@H](CNC(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000299791337 206192363 /nfs/dbraw/zinc/19/23/63/206192363.db2.gz DCYRBLLYKXPRJQ-LLVKDONJSA-N 1 0 378.826 3.116 50 0 GGAARO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000039379580 206193913 /nfs/dbraw/zinc/19/39/13/206193913.db2.gz UBUCKKMNCDENRY-HXUWFJFHSA-N 1 0 378.520 3.125 50 0 GGAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccccc3C(F)(F)F)cc2C1 ZINC000299799632 206194255 /nfs/dbraw/zinc/19/42/55/206194255.db2.gz SZRZTJLINFOPGU-UHFFFAOYSA-N 1 0 380.414 3.448 50 0 GGAARO COc1ccnc(-c2cccc(C(=O)N(C)CCC[NH+]3CCCCCC3)c2)n1 ZINC000426578879 533041309 /nfs/dbraw/zinc/04/13/09/533041309.db2.gz VSBFLKIXEJXNMI-UHFFFAOYSA-N 1 0 382.508 3.490 50 0 GGAARO OC[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011813511 221126472 /nfs/dbraw/zinc/12/64/72/221126472.db2.gz UKUOBXGTOVRODE-IBGZPJMESA-N 1 0 377.444 3.225 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cnc(C)cn4)C3)C2)c1 ZINC000012073119 221146755 /nfs/dbraw/zinc/14/67/55/221146755.db2.gz CNQGRSRCFOJCPK-QFIPXVFZSA-N 1 0 398.482 3.061 50 0 GGAARO COc1ccc2cc(-c3ccc(C(=O)N4CCO[C@H](C[NH3+])C4)cc3)ccc2c1 ZINC000426424181 533324181 /nfs/dbraw/zinc/32/41/81/533324181.db2.gz CFBZQPRMDRNGNM-JOCHJYFZSA-N 1 0 376.456 3.315 50 0 GGAARO COc1cccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1OC ZINC000426584945 533477839 /nfs/dbraw/zinc/47/78/39/533477839.db2.gz WPLCTAMOUMNIFK-LJQANCHMSA-N 1 0 380.488 3.342 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4ncnc5[nH]ccc54)C3)C2)c1 ZINC000426396458 533479328 /nfs/dbraw/zinc/47/93/28/533479328.db2.gz MMZZFQBQBQRZQN-JOCHJYFZSA-N 1 0 377.492 3.459 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4ncnc5[nH]ccc54)C3)C2)c1 ZINC000426396459 533479840 /nfs/dbraw/zinc/47/98/40/533479840.db2.gz MMZZFQBQBQRZQN-QFIPXVFZSA-N 1 0 377.492 3.459 50 0 GGAARO COc1ccc(CN(Cc2ccncc2)C(=O)NCC[C@H]2CCC[N@@H+]2C)cc1 ZINC000426369851 533550024 /nfs/dbraw/zinc/55/00/24/533550024.db2.gz CWVLJETVHXOFSM-HXUWFJFHSA-N 1 0 382.508 3.286 50 0 GGAARO c1cn(-c2ccc(N3CCC([NH2+]C[C@H]4COc5ccccc5O4)CC3)cc2)cn1 ZINC000063872108 136156583 /nfs/dbraw/zinc/15/65/83/136156583.db2.gz NZYSHJAALNXONO-NRFANRHFSA-N 1 0 390.487 3.271 50 0 GGAARO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000064800082 136157643 /nfs/dbraw/zinc/15/76/43/136157643.db2.gz STNQVYAHGIBIPY-UHFFFAOYSA-N 1 0 394.523 3.356 50 0 GGAARO CCc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000064800119 136157660 /nfs/dbraw/zinc/15/76/60/136157660.db2.gz GODKNBYNPPIQOS-UHFFFAOYSA-N 1 0 394.523 3.302 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799758 136157712 /nfs/dbraw/zinc/15/77/12/136157712.db2.gz ZZMZTQYKLYOOKZ-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064800382 136157798 /nfs/dbraw/zinc/15/77/98/136157798.db2.gz LXGLRLXIGVEMGF-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2cccc(F)c2C)[nH+]1 ZINC000065362903 136163468 /nfs/dbraw/zinc/16/34/68/136163468.db2.gz DWSQNUHSPBKUEC-UHFFFAOYSA-N 1 0 386.475 3.456 50 0 GGAARO CCNc1nc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc(C)[nH+]1 ZINC000065365788 136163611 /nfs/dbraw/zinc/16/36/11/136163611.db2.gz KSGXMAXENBJKBA-UHFFFAOYSA-N 1 0 394.306 3.486 50 0 GGAARO Cc1cccnc1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000065424516 136163889 /nfs/dbraw/zinc/16/38/89/136163889.db2.gz PMBHWVJKVHKVQD-UHFFFAOYSA-N 1 0 378.520 3.338 50 0 GGAARO Cc1ccc(-c2nc(N3CCN(CC[NH+](C)C)CC3)ncc2-c2ccoc2)cc1 ZINC000065534584 136164208 /nfs/dbraw/zinc/16/42/08/136164208.db2.gz VMPLYSNCOLJRCV-UHFFFAOYSA-N 1 0 391.519 3.396 50 0 GGAARO O=C(Nc1ccnn1C1CCN(c2cc[nH+]c3ccccc32)CC1)[C@H]1CCOC1 ZINC000067654918 136164790 /nfs/dbraw/zinc/16/47/90/136164790.db2.gz ZLDAZMOWRBITJA-INIZCTEOSA-N 1 0 391.475 3.248 50 0 GGAARO CCC[NH+]1CCC(N2CCN(c3nc4c(C)cccc4cc3CO)CC2)CC1 ZINC000067790776 136165038 /nfs/dbraw/zinc/16/50/38/136165038.db2.gz GVMAFGSZCNLNMS-UHFFFAOYSA-N 1 0 382.552 3.032 50 0 GGAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000070922250 136165314 /nfs/dbraw/zinc/16/53/14/136165314.db2.gz OFULFMORENWLRR-UHFFFAOYSA-N 1 0 399.438 3.295 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nccc4occc43)CC2)C1)N1CCCC1 ZINC000071774587 136166689 /nfs/dbraw/zinc/16/66/89/136166689.db2.gz BXXSAVSXQTUGRY-KRWDZBQOSA-N 1 0 382.508 3.131 50 0 GGAARO OCC[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CC[N@@H+]1C1CCCC1 ZINC000072408748 136169544 /nfs/dbraw/zinc/16/95/44/136169544.db2.gz PWRJCXVBGYLVIG-HXUWFJFHSA-N 1 0 392.547 3.448 50 0 GGAARO Cc1ccc(N2CCC3(CCC[N@H+]3Cc3nc4ccccc4n3C)CC2)nn1 ZINC000072431947 136169963 /nfs/dbraw/zinc/16/99/63/136169963.db2.gz DLYMUSTVXOATCF-UHFFFAOYSA-N 1 0 376.508 3.307 50 0 GGAARO Cc1ccc(N2CCC3(CCC[N@@H+]3Cc3ccc4nsnc4c3)CC2)nn1 ZINC000072435944 136170197 /nfs/dbraw/zinc/17/01/97/136170197.db2.gz JCVWUCZWDMMBNA-UHFFFAOYSA-N 1 0 380.521 3.425 50 0 GGAARO COc1ccc(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c(C)c1 ZINC000072446744 136170826 /nfs/dbraw/zinc/17/08/26/136170826.db2.gz DHOLOOSAGSFNGJ-UHFFFAOYSA-N 1 0 398.511 3.326 50 0 GGAARO Cc1c(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)cnn1C ZINC000072454404 136171164 /nfs/dbraw/zinc/17/11/64/136171164.db2.gz LYYIIPIHAZQFCA-UHFFFAOYSA-N 1 0 376.508 3.307 50 0 GGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(F)cc2Cl)[nH+]1 ZINC000077128462 136171666 /nfs/dbraw/zinc/17/16/66/136171666.db2.gz WCPLORGHQHZXBL-UHFFFAOYSA-N 1 0 391.878 3.410 50 0 GGAARO Cc1cnc(CN2C[C@]3(CCCN(c4cc(C)[nH+]c(C)c4)C3)CCC2=O)cn1 ZINC000077470686 136172257 /nfs/dbraw/zinc/17/22/57/136172257.db2.gz KACQAIDVDGNYKY-JOCHJYFZSA-N 1 0 379.508 3.206 50 0 GGAARO Fc1cccc(-c2ccc(N3CCC([NH+]4CC(N5CCOCC5)C4)CC3)cc2)c1 ZINC000082039616 136173340 /nfs/dbraw/zinc/17/33/40/136173340.db2.gz MFVYRYPPQAUMEO-UHFFFAOYSA-N 1 0 395.522 3.478 50 0 GGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082092013 136173503 /nfs/dbraw/zinc/17/35/03/136173503.db2.gz PXGXLVBAZXKFFS-UHFFFAOYSA-N 1 0 397.906 3.425 50 0 GGAARO Cc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000082230300 136174307 /nfs/dbraw/zinc/17/43/07/136174307.db2.gz PKSDROJLCJAWIY-UHFFFAOYSA-N 1 0 380.496 3.048 50 0 GGAARO C[NH+](C)[C@H]1CC[N@@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C[C@H]1CCC(=O)[O-] ZINC000091626318 136176831 /nfs/dbraw/zinc/17/68/31/136176831.db2.gz WDAHLOUIQVPNHW-QRWLVFNGSA-N 1 0 395.494 3.051 50 0 GGAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ncc(Cl)cc1F)C2 ZINC000095383827 136178648 /nfs/dbraw/zinc/17/86/48/136178648.db2.gz LNQWKZDXTUIYDK-MDYRTPRTSA-N 1 0 397.922 3.218 50 0 GGAARO Cc1ccc2[nH+]ccc(N3CCC[C@@H](c4nnc(Cn5ccnc5)n4C)C3)c2c1 ZINC000095385043 136178732 /nfs/dbraw/zinc/17/87/32/136178732.db2.gz DXJBBZBKAUMPGC-QGZVFWFLSA-N 1 0 387.491 3.301 50 0 GGAARO Cc1cc(F)ccc1N1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)CC1 ZINC000095385809 136178739 /nfs/dbraw/zinc/17/87/39/136178739.db2.gz PMRSKKKMYQNYPR-GHTZIAJQSA-N 1 0 385.527 3.436 50 0 GGAARO Cc1nnc([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)[nH]1 ZINC000095497317 136179753 /nfs/dbraw/zinc/17/97/53/136179753.db2.gz AXHDLABWSZSRDP-OAHLLOKOSA-N 1 0 377.496 3.198 50 0 GGAARO CCCc1cncnc1N1CCC([NH2+]Cc2nnc(-c3ccccc3)o2)CC1 ZINC000095501031 136179854 /nfs/dbraw/zinc/17/98/54/136179854.db2.gz AOUDDDAOUACXRP-UHFFFAOYSA-N 1 0 378.480 3.238 50 0 GGAARO CCCc1cncnc1N1CCC([NH2+]C[C@H]2Cc3ccccc3CN2C)CC1 ZINC000095522453 136181162 /nfs/dbraw/zinc/18/11/62/136181162.db2.gz CLWHMBCQANPDFW-JOCHJYFZSA-N 1 0 379.552 3.044 50 0 GGAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CCN(c2ccccn2)CC1 ZINC000095526443 136181362 /nfs/dbraw/zinc/18/13/62/136181362.db2.gz QJHNYAGVMLNDKN-UHFFFAOYSA-N 1 0 379.508 3.422 50 0 GGAARO Cc1ccnc(N2CCC([NH+]3CCN(C/C=C/c4ccccc4)CC3)CC2)n1 ZINC000095526625 136181478 /nfs/dbraw/zinc/18/14/78/136181478.db2.gz UGIPLWAWZPTTSC-VMPITWQZSA-N 1 0 377.536 3.085 50 0 GGAARO Cc1cc(C[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)n(C)n1 ZINC000096150697 136184540 /nfs/dbraw/zinc/18/45/40/136184540.db2.gz FOHHFYQOVVQWBU-UHFFFAOYSA-N 1 0 376.508 3.253 50 0 GGAARO Cc1ncccc1Oc1ncnc(N2CCC([NH2+]Cc3ccccn3)CC2)c1C ZINC000096180531 136185008 /nfs/dbraw/zinc/18/50/08/136185008.db2.gz QFRVLEOPEKZRIQ-UHFFFAOYSA-N 1 0 390.491 3.434 50 0 GGAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000101411158 136189797 /nfs/dbraw/zinc/18/97/97/136189797.db2.gz DLDONWMYJUCBHU-UHFFFAOYSA-N 1 0 397.519 3.044 50 0 GGAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1Cl ZINC000011853293 136199799 /nfs/dbraw/zinc/19/97/99/136199799.db2.gz IECKKXSWCZTOKX-UHFFFAOYSA-N 1 0 375.875 3.421 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c(C)c1 ZINC000011697919 136199876 /nfs/dbraw/zinc/19/98/76/136199876.db2.gz XYYSGAZMEDLVNJ-UHFFFAOYSA-N 1 0 388.475 3.194 50 0 GGAARO CCc1ccc(C(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1 ZINC000011697962 136199878 /nfs/dbraw/zinc/19/98/78/136199878.db2.gz GSKRTFOSVRFTKZ-UHFFFAOYSA-N 1 0 388.475 3.140 50 0 GGAARO COc1cccc(C[N@@H+]2CCN(c3ccc4ccccc4n3)C[C@H]2CCO)c1 ZINC000106966220 136201701 /nfs/dbraw/zinc/20/17/01/136201701.db2.gz OPROQMIYDHLING-HXUWFJFHSA-N 1 0 377.488 3.317 50 0 GGAARO Cc1ccc(C[NH2+]Cc2cccnc2N2CCN(c3ccccn3)CC2)s1 ZINC000019223389 136202583 /nfs/dbraw/zinc/20/25/83/136202583.db2.gz XYLJOKGPLVVPEA-UHFFFAOYSA-N 1 0 379.533 3.463 50 0 GGAARO Cc1n[nH]c2c1CN(C(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000426691127 533673859 /nfs/dbraw/zinc/67/38/59/533673859.db2.gz CHZSPVXRQKPZSY-LJQANCHMSA-N 1 0 381.524 3.231 50 0 GGAARO c1cc(-c2c(-c3ccccc3)ncn2C[C@H]2C[NH2+]CCO2)n(-c2cccnc2)c1 ZINC000065397142 222127536 /nfs/dbraw/zinc/12/75/36/222127536.db2.gz OYFKQGXDVVYBLT-HXUWFJFHSA-N 1 0 385.471 3.391 50 0 GGAARO COc1cc([C@H](C)Nc2nc(CC[NH3+])nc3ccccc32)cc(OC)c1OC ZINC000065404669 222127699 /nfs/dbraw/zinc/12/76/99/222127699.db2.gz JTXKMCFJUPPJBA-ZDUSSCGKSA-N 1 0 382.464 3.330 50 0 GGAARO CCOc1ccc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCC(O)CC2)cn1 ZINC000065470155 222130970 /nfs/dbraw/zinc/13/09/70/222130970.db2.gz FPDLFFVQOFNQAS-UHFFFAOYSA-N 1 0 392.503 3.468 50 0 GGAARO Cc1c(-c2nc(C3CC3)nn2-c2cc[nH+]cc2C)sc2ncn(C)c(=O)c12 ZINC000065465140 222131446 /nfs/dbraw/zinc/13/14/46/222131446.db2.gz UQAUMMYWIBIFIR-UHFFFAOYSA-N 1 0 378.461 3.132 50 0 GGAARO CC(C)c1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)co1 ZINC000071763561 222196280 /nfs/dbraw/zinc/19/62/80/222196280.db2.gz KCIOYLJIZVEXGP-GOSISDBHSA-N 1 0 388.556 3.097 50 0 GGAARO Cc1nccn1CCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072478638 222267603 /nfs/dbraw/zinc/26/76/03/222267603.db2.gz VNMSRDWYBYFZJY-QHCPKHFHSA-N 1 0 380.536 3.486 50 0 GGAARO CN(CC[NH+](C)C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000072474482 222264199 /nfs/dbraw/zinc/26/41/99/222264199.db2.gz AZJSBQLILAVXFK-UHFFFAOYSA-N 1 0 392.503 3.321 50 0 GGAARO Cc1ncsc1CCN(C)Cc1cc2n(n1)CCCN(c1cc[nH+]cc1)C2 ZINC000072473852 222264467 /nfs/dbraw/zinc/26/44/67/222264467.db2.gz XDAJQPUBTWDNHM-UHFFFAOYSA-N 1 0 382.537 3.128 50 0 GGAARO CCc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)cn1 ZINC000072475954 222265001 /nfs/dbraw/zinc/26/50/01/222265001.db2.gz JSHIRUPAJOGGID-PKOBYXMFSA-N 1 0 384.549 3.156 50 0 GGAARO Cc1cc(N2CCCN(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)CC2)cc[nH+]1 ZINC000426730268 533890397 /nfs/dbraw/zinc/89/03/97/533890397.db2.gz BTSLNHLQXAJQMW-MRXNPFEDSA-N 1 0 378.480 3.249 50 0 GGAARO COC(=O)c1ccccc1-c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000426518791 534285769 /nfs/dbraw/zinc/28/57/69/534285769.db2.gz MXNQDKXMKXSPBF-RBUKOAKNSA-N 1 0 378.472 3.449 50 0 GGAARO O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC(Oc2ccccc2F)C1 ZINC000426545459 534411010 /nfs/dbraw/zinc/41/10/10/534411010.db2.gz ZJBZWMIQMQERRI-QFBILLFUSA-N 1 0 375.488 3.253 50 0 GGAARO O=C(c1ccccc1-c1nc[nH]n1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000426488156 534747190 /nfs/dbraw/zinc/74/71/90/534747190.db2.gz GGNNVRFIXCTFTF-QFIPXVFZSA-N 1 0 379.508 3.200 50 0 GGAARO CC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012056895 527571230 /nfs/dbraw/zinc/57/12/30/527571230.db2.gz OYARBFHQDFTJRY-LJQANCHMSA-N 1 0 385.552 3.052 50 0 GGAARO CC[N@H+](C)C1(CNC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)CCCC1 ZINC000426497339 527794496 /nfs/dbraw/zinc/79/44/96/527794496.db2.gz YSFJSHKMLUCXRI-UHFFFAOYSA-N 1 0 381.524 3.204 50 0 GGAARO CC(C)C[NH+]1CCC(CNC(=O)N(C)Cc2ccc3nsnc3c2)CC1 ZINC000426358291 527959018 /nfs/dbraw/zinc/95/90/18/527959018.db2.gz JUOCRWJNQZRUSA-UHFFFAOYSA-N 1 0 375.542 3.201 50 0 GGAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccsc3C(N)=O)c2)C1 ZINC000426518362 528025985 /nfs/dbraw/zinc/02/59/85/528025985.db2.gz RQTMUPQONWBVFK-OAHLLOKOSA-N 1 0 385.533 3.222 50 0 GGAARO CC(C)CNC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426701561 528034378 /nfs/dbraw/zinc/03/43/78/528034378.db2.gz GCRLOGAVYCFQAK-OAQYLSRUSA-N 1 0 379.495 3.025 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529309 528093117 /nfs/dbraw/zinc/09/31/17/528093117.db2.gz NAEYQJBIZPXVOI-HSZRJFAPSA-N 1 0 396.535 3.499 50 0 GGAARO CCN(Cc1c(F)cccc1Cl)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426556037 528756034 /nfs/dbraw/zinc/75/60/34/528756034.db2.gz RXHKHRSSZRMNMK-CQSZACIVSA-N 1 0 378.879 3.191 50 0 GGAARO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000426423680 528797933 /nfs/dbraw/zinc/79/79/33/528797933.db2.gz PKLMYWPLKVIYDK-NRFANRHFSA-N 1 0 379.495 3.120 50 0 GGAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000426376342 529057757 /nfs/dbraw/zinc/05/77/57/529057757.db2.gz MOUVYDOLFWCOQW-AWEZNQCLSA-N 1 0 377.920 3.131 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccncc1)Cc1ccc(OC)cc1 ZINC000426535021 529079255 /nfs/dbraw/zinc/07/92/55/529079255.db2.gz BXOIUHNNUAKLEP-HXUWFJFHSA-N 1 0 382.508 3.286 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1 ZINC000426388068 529106234 /nfs/dbraw/zinc/10/62/34/529106234.db2.gz WOAIVKKOKXVKQI-IBGZPJMESA-N 1 0 379.504 3.270 50 0 GGAARO CC(C)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426419801 529120572 /nfs/dbraw/zinc/12/05/72/529120572.db2.gz PPPPCGKFPBTCNR-NRFANRHFSA-N 1 0 379.495 3.167 50 0 GGAARO CCN1CC[NH+](C2CCN(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000426530815 529136421 /nfs/dbraw/zinc/13/64/21/529136421.db2.gz NEWWJCTXYWLZBC-INIZCTEOSA-N 1 0 378.948 3.213 50 0 GGAARO CCc1cnc(C)nc1N1CCC([NH2+]Cc2c(F)ccc(OC)c2F)CC1 ZINC000096163000 536019727 /nfs/dbraw/zinc/01/97/27/536019727.db2.gz NKFXDDZVPMEQMQ-UHFFFAOYSA-N 1 0 376.451 3.393 50 0 GGAARO CCc1cnc(C)nc1N1CCC([NH2+]Cc2cc(-c3ccccn3)no2)CC1 ZINC000095527662 536019746 /nfs/dbraw/zinc/01/97/46/536019746.db2.gz OOQRILFVZCCQAJ-UHFFFAOYSA-N 1 0 378.480 3.156 50 0 GGAARO CCc1c(C)nc(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095506100 536069793 /nfs/dbraw/zinc/06/97/93/536069793.db2.gz GNQVKVJTGVPARQ-UHFFFAOYSA-N 1 0 382.556 3.389 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000064045105 536716186 /nfs/dbraw/zinc/71/61/86/536716186.db2.gz PNMRBZNXRZZKAL-OAQYLSRUSA-N 1 0 397.494 3.261 50 0 GGAARO COc1ccc2c(c1)c1ncnc(N3CC[NH+](Cc4ccccc4)CC3)c1n2C ZINC000061949747 537015375 /nfs/dbraw/zinc/01/53/75/537015375.db2.gz MVRCNNRISKSORV-UHFFFAOYSA-N 1 0 387.487 3.452 50 0 GGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3ncncc3C(C)C)C2)CC1 ZINC000072164440 537070579 /nfs/dbraw/zinc/07/05/79/537070579.db2.gz AVENMUROIIEPHO-LJQANCHMSA-N 1 0 395.551 3.400 50 0 GGAARO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c1C ZINC000013673696 560220137 /nfs/dbraw/zinc/22/01/37/560220137.db2.gz WINHZLLDWRZWRT-SFQUDFHCSA-N 1 0 398.482 3.335 50 0 in-vitro GGAARO Nc1c(Br)cc(Br)cc1C[NH2+]C1CCC(O)CC1 ZINC000000587613 564180165 /nfs/dbraw/zinc/18/01/65/564180165.db2.gz JBDGDEWWOUBZPM-UHFFFAOYSA-N 1 0 378.108 3.187 50 0 world GGAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000000895004 564181078 /nfs/dbraw/zinc/18/10/78/564181078.db2.gz NKOBSUNOWDPVLX-ZDUSSCGKSA-N 1 0 383.286 3.053 50 0 GGAARO C[NH+](C)CCCN[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000002377048 564187621 /nfs/dbraw/zinc/18/76/21/564187621.db2.gz PUYMJMVGXCJSMQ-FEAKQIBJSA-N 1 0 378.731 3.054 50 0 GGAARO Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000002781131 564190766 /nfs/dbraw/zinc/19/07/66/564190766.db2.gz HURFYUCDEDEQMN-LLVKDONJSA-N 1 0 380.842 3.414 50 0 GGAARO CC1(C)CC(NC(=O)c2cccc(I)c2)CC(C)(C)[NH2+]1 ZINC000004721976 564206231 /nfs/dbraw/zinc/20/62/31/564206231.db2.gz NGSWWZHVTKLKOT-UHFFFAOYSA-N 1 0 386.277 3.330 50 0 GGAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)nn1C ZINC000012229211 564267339 /nfs/dbraw/zinc/26/73/39/564267339.db2.gz HTUAQPJEQNDUSW-UHFFFAOYSA-N 1 0 377.901 3.200 50 0 GGAARO C[C@H](Oc1ccc(Br)cc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000012380609 564267343 /nfs/dbraw/zinc/26/73/43/564267343.db2.gz JHHLBDHAANDLKL-JTQLQIEISA-N 1 0 375.694 3.080 50 0 GGAARO O[C@H](COc1ccc(Br)cc1Br)C[NH+]1CCCC1 ZINC000012420317 564268238 /nfs/dbraw/zinc/26/82/38/564268238.db2.gz GFDINWKIYZDYNG-NSHDSACASA-N 1 0 379.092 3.047 50 0 GGAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2Cl)CC1 ZINC000013326352 564275462 /nfs/dbraw/zinc/27/54/62/564275462.db2.gz AQJKIMWWLRDZTQ-NSHDSACASA-N 1 0 389.721 3.470 50 0 GGAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CSCCSC3)C2)c(OC)c1 ZINC000013594192 564277505 /nfs/dbraw/zinc/27/75/05/564277505.db2.gz OZXBLABFZFSYBQ-AWEZNQCLSA-N 1 0 381.563 3.447 50 0 GGAARO C[C@@H]1C[N@@H+](CCCOc2ccc(I)cc2)C[C@H](C)O1 ZINC000016247771 564291959 /nfs/dbraw/zinc/29/19/59/564291959.db2.gz BCTLSFAOJRATAK-BETUJISGSA-N 1 0 375.250 3.169 50 0 GGAARO O[C@H](CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019801792 564304484 /nfs/dbraw/zinc/30/44/84/564304484.db2.gz GWEAYNAKNNEYOS-LJQANCHMSA-N 1 0 375.310 3.300 50 0 GGAARO Cn1cc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)[NH+](C)C)c2ccccc21 ZINC000021696025 564311724 /nfs/dbraw/zinc/31/17/24/564311724.db2.gz JPWCMBYGXGQWKO-HNNXBMFYSA-N 1 0 397.953 3.474 50 0 GGAARO CCOC(=O)c1csc(N2[NH2+]C3=C(CCCCC3)[C@]2(O)C(F)(F)F)n1 ZINC000025186039 564336860 /nfs/dbraw/zinc/33/68/60/564336860.db2.gz JUJKOZMSYQVHBS-OTYXRUKQSA-N 1 0 377.388 3.327 50 0 GGAARO OCCC[C@@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@@H]1[NH+]1CCOCC1 ZINC000091965885 564873922 /nfs/dbraw/zinc/87/39/22/564873922.db2.gz WNECXEYSYDSHOL-QAPCUYQASA-N 1 0 387.351 3.289 50 0 GGAARO CN1CC[C@]2(CN(c3nc4ccc(Cl)cc4s3)CC[N@@H+]2C)CCC1=O ZINC000092046650 564874127 /nfs/dbraw/zinc/87/41/27/564874127.db2.gz JWNKKOUJKKUMKN-SFHVURJKSA-N 1 0 378.929 3.083 50 0 GGAARO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000095370108 564898951 /nfs/dbraw/zinc/89/89/51/564898951.db2.gz KBFHMISYUJJYEI-NVXWUHKLSA-N 1 0 376.547 3.271 50 0 GGAARO OCCn1nccc1C1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000195508645 565889021 /nfs/dbraw/zinc/88/90/21/565889021.db2.gz VWQFZKZLGUQZEU-UHFFFAOYSA-N 1 0 384.307 3.441 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3noc(COC)n3)CC2)C1 ZINC000096132375 570211522 /nfs/dbraw/zinc/21/15/22/570211522.db2.gz UEHATTVUEHKHCK-IBGZPJMESA-N 1 0 384.524 3.308 50 0 GGAARO COCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000096139226 570212652 /nfs/dbraw/zinc/21/26/52/570212652.db2.gz BAFAMXSIVCMQMA-GFCCVEGCSA-N 1 0 377.382 3.324 50 0 GGAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000096139932 570212832 /nfs/dbraw/zinc/21/28/32/570212832.db2.gz DTJUIDWRAUWIPX-UHFFFAOYSA-N 1 0 380.540 3.231 50 0 GGAARO C[NH+]1CCN(CCCNC(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000096140045 570212871 /nfs/dbraw/zinc/21/28/71/570212871.db2.gz JKECEPTYHGSLOJ-UHFFFAOYSA-N 1 0 386.471 3.377 50 0 GGAARO COc1ccc(Oc2ccc(NC(=O)NCC3(O)CC[NH+](C)CC3)cc2)cc1 ZINC000096142160 570213492 /nfs/dbraw/zinc/21/34/92/570213492.db2.gz UUHTZRNFVMYKNQ-UHFFFAOYSA-N 1 0 385.464 3.066 50 0 GGAARO Cc1cc(C)n(C[C@H](C)NC(=O)Nc2ccccc2OC2CC[NH+](C)CC2)n1 ZINC000096148031 570214602 /nfs/dbraw/zinc/21/46/02/570214602.db2.gz LFNFILHMSIDOBW-INIZCTEOSA-N 1 0 385.512 3.183 50 0 GGAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000096148181 570214606 /nfs/dbraw/zinc/21/46/06/570214606.db2.gz QYXBNDOUADHPKP-OAQYLSRUSA-N 1 0 397.563 3.117 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000096149365 570214879 /nfs/dbraw/zinc/21/48/79/570214879.db2.gz YZBCDVFDNFSWEW-NRFANRHFSA-N 1 0 393.531 3.117 50 0 GGAARO CCNc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)cn1 ZINC000096150799 570215239 /nfs/dbraw/zinc/21/52/39/570215239.db2.gz KZLFQUSAPBRSLB-FQEVSTJZSA-N 1 0 393.535 3.137 50 0 GGAARO CCCc1noc(CN(C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000096151268 570215281 /nfs/dbraw/zinc/21/52/81/570215281.db2.gz SJIPNLBFDHDDLI-UHFFFAOYSA-N 1 0 387.484 3.159 50 0 GGAARO Cc1ncc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cn1 ZINC000096150871 570215340 /nfs/dbraw/zinc/21/53/40/570215340.db2.gz IDYKOQGQNLWRAO-UHFFFAOYSA-N 1 0 386.927 3.465 50 0 GGAARO CC(C)n1cnnc1C[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000096151292 570215372 /nfs/dbraw/zinc/21/53/72/570215372.db2.gz JDHLQZRMEAPHPK-UHFFFAOYSA-N 1 0 383.525 3.136 50 0 GGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3ncsc3c1)CC2 ZINC000096153139 570215706 /nfs/dbraw/zinc/21/57/06/570215706.db2.gz UUPOGGBKSKOTNH-UHFFFAOYSA-N 1 0 395.532 3.419 50 0 GGAARO C[NH+]1CCC(Cc2nc(COC[C@H]3CCCO3)n(C3CCCCC3)n2)CC1 ZINC000096152224 570215783 /nfs/dbraw/zinc/21/57/83/570215783.db2.gz WNYDEXGJQFHXPZ-LJQANCHMSA-N 1 0 376.545 3.363 50 0 GGAARO Cc1nccn1Cc1nnc(C2CC[NH+](CCCc3ccccc3)CC2)n1C ZINC000096153481 570216216 /nfs/dbraw/zinc/21/62/16/570216216.db2.gz FUDOQHXRUFAPOS-UHFFFAOYSA-N 1 0 378.524 3.181 50 0 GGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000096153437 570216257 /nfs/dbraw/zinc/21/62/57/570216257.db2.gz XBZBWBXFBVQQOQ-UHFFFAOYSA-N 1 0 382.487 3.370 50 0 GGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3c(c1)CCC3)CC2 ZINC000096162379 570216998 /nfs/dbraw/zinc/21/69/98/570216998.db2.gz XDFPPDUKCAJCID-UHFFFAOYSA-N 1 0 378.520 3.298 50 0 GGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cc(F)cc2c1NC(=O)CC2 ZINC000096162904 570217125 /nfs/dbraw/zinc/21/71/25/570217125.db2.gz UGWIZYHVBLJSOQ-MRXNPFEDSA-N 1 0 386.427 3.262 50 0 GGAARO Cn1c(CN2CCCCCC2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000096163737 570217250 /nfs/dbraw/zinc/21/72/50/570217250.db2.gz IEDBKANHCMAQAJ-UHFFFAOYSA-N 1 0 383.540 3.276 50 0 GGAARO C[NH+](C)CCOc1ccccc1-c1ccccc1S(=O)(=O)NC(C)(C)C ZINC000096164122 570217402 /nfs/dbraw/zinc/21/74/02/570217402.db2.gz KKGMWGCAURLXKW-UHFFFAOYSA-N 1 0 376.522 3.371 50 0 GGAARO CNC(=O)c1ccc(Cl)c(NC(=O)N(C)CCC[NH+]2CCCCCC2)c1 ZINC000096163036 570217456 /nfs/dbraw/zinc/21/74/56/570217456.db2.gz ODTBOTLIAUIKRH-UHFFFAOYSA-N 1 0 380.920 3.429 50 0 GGAARO CCOC(=O)c1cc(NC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC000096165536 570217700 /nfs/dbraw/zinc/21/77/00/570217700.db2.gz FBOBPCZCOIFEAP-IBGZPJMESA-N 1 0 379.888 3.466 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)cc1 ZINC000019792656 570219334 /nfs/dbraw/zinc/21/93/34/570219334.db2.gz ZYEJHEIQNIPHJT-DEOSSOPVSA-N 1 0 390.531 3.250 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3nccn3C)C2)c(-c2ccccc2F)n1 ZINC000019792293 570219474 /nfs/dbraw/zinc/21/94/74/570219474.db2.gz OZAZOYPFNBRJAP-OAHLLOKOSA-N 1 0 381.455 3.055 50 0 GGAARO OCC[C@@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@@H+]1CCc1ccccc1 ZINC000019794423 570219927 /nfs/dbraw/zinc/21/99/27/570219927.db2.gz IMDNMZHUUQBJGA-QGZVFWFLSA-N 1 0 378.438 3.215 50 0 GGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000019798973 570220365 /nfs/dbraw/zinc/22/03/65/570220365.db2.gz JVAHVMOPFZEJFV-LJQANCHMSA-N 1 0 375.582 3.177 50 0 GGAARO COc1ccccc1C(=O)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000779609 570222659 /nfs/dbraw/zinc/22/26/59/570222659.db2.gz OEKSTIHDKZPALS-UHFFFAOYSA-N 1 0 393.531 3.118 50 0 GGAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000000789791 570223591 /nfs/dbraw/zinc/22/35/91/570223591.db2.gz SOUYMHZMGBQLRO-PZJWPPBQSA-N 1 0 380.488 3.446 50 0 GGAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000000789793 570223706 /nfs/dbraw/zinc/22/37/06/570223706.db2.gz SOUYMHZMGBQLRO-CTNGQTDRSA-N 1 0 380.488 3.446 50 0 GGAARO OCC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCN1Cc1ccc(F)cc1 ZINC000019836325 570223767 /nfs/dbraw/zinc/22/37/67/570223767.db2.gz WDEGQUHHNDVIRT-JOCHJYFZSA-N 1 0 379.479 3.443 50 0 GGAARO COc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(OC)c1 ZINC000019840767 570224782 /nfs/dbraw/zinc/22/47/82/570224782.db2.gz AONKNHFKVKEFAT-UHFFFAOYSA-N 1 0 392.503 3.139 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000019841550 570224794 /nfs/dbraw/zinc/22/47/94/570224794.db2.gz BXZUPKGOFRCREO-SFHVURJKSA-N 1 0 390.911 3.123 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(F)c1 ZINC000019840421 570224821 /nfs/dbraw/zinc/22/48/21/570224821.db2.gz OTXWXLDIUOQQAU-UHFFFAOYSA-N 1 0 386.471 3.059 50 0 GGAARO O=C(Cc1ccccc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019889106 570227443 /nfs/dbraw/zinc/22/74/43/570227443.db2.gz SCXCEZOCAVSAAP-UHFFFAOYSA-N 1 0 377.532 3.038 50 0 GGAARO C[NH+](C)CCCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000019898254 570228483 /nfs/dbraw/zinc/22/84/83/570228483.db2.gz MQZUPLZZCTXDPI-VMIIEYAXSA-N 1 0 377.488 3.082 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000019902238 570228897 /nfs/dbraw/zinc/22/88/97/570228897.db2.gz NZAVRMOVUNCFQX-LJQANCHMSA-N 1 0 375.875 3.198 50 0 GGAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000019929903 570230996 /nfs/dbraw/zinc/23/09/96/570230996.db2.gz KQKFYCRDURDKQJ-MRXNPFEDSA-N 1 0 378.350 3.136 50 0 GGAARO Cc1ncc2c(c1-c1noc(-c3cccc(NC(=O)C(C)C)c3)n1)CC[NH2+]C2 ZINC000019939612 570232817 /nfs/dbraw/zinc/23/28/17/570232817.db2.gz CMBNGLVIKZTMGH-UHFFFAOYSA-N 1 0 377.448 3.347 50 0 GGAARO COc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1OC ZINC000019953056 570233426 /nfs/dbraw/zinc/23/34/26/570233426.db2.gz WCKBWTWMGHWIDJ-UHFFFAOYSA-N 1 0 392.503 3.139 50 0 GGAARO Fc1cccc(-c2nc3cc(N4CCOCC4)c(N4CCOCC4)cc3[nH]2)c1 ZINC000001025388 570235599 /nfs/dbraw/zinc/23/55/99/570235599.db2.gz BESWDMRPIBDRTN-UHFFFAOYSA-N 1 0 382.439 3.042 50 0 GGAARO COc1cccc(-c2ccccc2NC(=O)NC[C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000097076490 570236052 /nfs/dbraw/zinc/23/60/52/570236052.db2.gz XPCTUVDTEQFDQU-KRWDZBQOSA-N 1 0 383.492 3.188 50 0 GGAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000020102831 570239706 /nfs/dbraw/zinc/23/97/06/570239706.db2.gz JBZXWITXVGHZRY-UHFFFAOYSA-N 1 0 392.927 3.354 50 0 GGAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc4ccccc43)C2=O)cc1 ZINC000020136605 570241837 /nfs/dbraw/zinc/24/18/37/570241837.db2.gz JIXWEVYGIFSADQ-NRFANRHFSA-N 1 0 387.439 3.220 50 0 GGAARO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)c2cc(Cl)ccc2n1 ZINC000097347572 570242964 /nfs/dbraw/zinc/24/29/64/570242964.db2.gz PDPKUKNFRJDWOZ-HNNXBMFYSA-N 1 0 375.900 3.021 50 0 GGAARO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)c2ccccc2n1 ZINC000097394062 570242988 /nfs/dbraw/zinc/24/29/88/570242988.db2.gz PQLRPUMYVBASLT-SFHVURJKSA-N 1 0 375.472 3.463 50 0 GGAARO CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1CN1CC[NH+](C)CC1 ZINC000020150231 570244434 /nfs/dbraw/zinc/24/44/34/570244434.db2.gz KHUCROKFCXKVOO-UHFFFAOYSA-N 1 0 393.487 3.260 50 0 GGAARO CCN(C(=O)c1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1)c1ccccc1 ZINC000097522540 570245361 /nfs/dbraw/zinc/24/53/61/570245361.db2.gz UVACHSIGRUTGQI-HDICACEKSA-N 1 0 378.476 3.036 50 0 GGAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(C(=O)NCc2ccco2)s1 ZINC000020168708 570245472 /nfs/dbraw/zinc/24/54/72/570245472.db2.gz OQMSDDIAWPGNPT-INIZCTEOSA-N 1 0 389.521 3.275 50 0 GGAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCc2ccco2)s1 ZINC000020168706 570245569 /nfs/dbraw/zinc/24/55/69/570245569.db2.gz OQMSDDIAWPGNPT-MRXNPFEDSA-N 1 0 389.521 3.275 50 0 GGAARO Cc1nc2ccc(C(=O)NC[C@H]3CCC[N@H+](Cc4ccco4)C3)cc2nc1C ZINC000097553200 570246063 /nfs/dbraw/zinc/24/60/63/570246063.db2.gz GVCGWJZUFCLSCW-QGZVFWFLSA-N 1 0 378.476 3.482 50 0 GGAARO COCC(=O)Nc1cccc(NC(=O)NCC2([NH+]3CCCC3)CCCC2)c1C ZINC000097547823 570246148 /nfs/dbraw/zinc/24/61/48/570246148.db2.gz QLZOKUISWKUBMJ-UHFFFAOYSA-N 1 0 388.512 3.110 50 0 GGAARO C[C@@H](c1ccc(-c2cncc(C(=O)N3CCOCC3)n2)cc1)[NH+]1CCCCC1 ZINC000097575141 570247084 /nfs/dbraw/zinc/24/70/84/570247084.db2.gz RTCYTPZKDZBZIC-KRWDZBQOSA-N 1 0 380.492 3.163 50 0 GGAARO CC(C)(CNC(=O)CCc1cn2ccccc2n1)[N@@H+]1CCc2ccccc2C1 ZINC000097638034 570248018 /nfs/dbraw/zinc/24/80/18/570248018.db2.gz IBHALZPZSUSAET-UHFFFAOYSA-N 1 0 376.504 3.220 50 0 GGAARO CCC(=O)Nc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1C ZINC000097655379 570248368 /nfs/dbraw/zinc/24/83/68/570248368.db2.gz BOFWYQDBBJUYHV-GOSISDBHSA-N 1 0 388.512 3.108 50 0 GGAARO Cc1[nH]ncc1-c1nc(-c2c(C)ncc3c2CCN(c2cc[nH+]c(C)c2)C3)no1 ZINC000020271017 570250551 /nfs/dbraw/zinc/25/05/51/570250551.db2.gz MVHHANLNTDMDJQ-UHFFFAOYSA-N 1 0 387.447 3.405 50 0 GGAARO COc1cc(C(=O)N2CCC([NH+]3CCCCCC3)CC2)cc(OC)c1OC ZINC000001167284 570252701 /nfs/dbraw/zinc/25/27/01/570252701.db2.gz FPZGDJFMRDSFEN-UHFFFAOYSA-N 1 0 376.497 3.193 50 0 GGAARO C[N@@H+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1CCO ZINC000020351120 570252748 /nfs/dbraw/zinc/25/27/48/570252748.db2.gz LDKBDFBUNVNUOV-QFIPXVFZSA-N 1 0 376.504 3.038 50 0 GGAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000020363723 570253431 /nfs/dbraw/zinc/25/34/31/570253431.db2.gz OLDBQIRUSJJABL-QGZVFWFLSA-N 1 0 393.516 3.078 50 0 GGAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000020363721 570253586 /nfs/dbraw/zinc/25/35/86/570253586.db2.gz OLDBQIRUSJJABL-KRWDZBQOSA-N 1 0 393.516 3.078 50 0 GGAARO CC(C)(CNC(=O)Nc1ccc2c(c1)COC2=O)[N@@H+]1CCc2ccccc2C1 ZINC000097766654 570253772 /nfs/dbraw/zinc/25/37/72/570253772.db2.gz FVLANAHKNYDXKH-UHFFFAOYSA-N 1 0 379.460 3.315 50 0 GGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000097813677 570256725 /nfs/dbraw/zinc/25/67/25/570256725.db2.gz BEBBOHWJYRDTLL-SFHVURJKSA-N 1 0 378.451 3.435 50 0 GGAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000097813676 570256737 /nfs/dbraw/zinc/25/67/37/570256737.db2.gz BEBBOHWJYRDTLL-GOSISDBHSA-N 1 0 378.451 3.435 50 0 GGAARO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001190313 570256920 /nfs/dbraw/zinc/25/69/20/570256920.db2.gz FZCWXCPDCWLVDN-NRFANRHFSA-N 1 0 383.488 3.248 50 0 GGAARO Cc1ccc(C)c(-n2cc(CN3CC[NH+](CCO)CC3)c(-c3ccccc3)n2)c1 ZINC000020453456 570258155 /nfs/dbraw/zinc/25/81/55/570258155.db2.gz GSAPNNORPGZXID-UHFFFAOYSA-N 1 0 390.531 3.266 50 0 GGAARO c1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000020453638 570258303 /nfs/dbraw/zinc/25/83/03/570258303.db2.gz YMJYIRXHOMIVRZ-FQEVSTJZSA-N 1 0 393.560 3.478 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2nc3c(s2)CCCC3)C[C@H]1CCO ZINC000104417170 570258350 /nfs/dbraw/zinc/25/83/50/570258350.db2.gz KWROQVOIGGGDAD-LJQANCHMSA-N 1 0 385.577 3.399 50 0 GGAARO Cc1nc2sccn2c1CN1CC[N@H+](Cc2ccccc2C)[C@H](CCO)C1 ZINC000104558715 570259860 /nfs/dbraw/zinc/25/98/60/570259860.db2.gz YCMXLJVNNIIPMW-LJQANCHMSA-N 1 0 384.549 3.081 50 0 GGAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc(OC)c1OC ZINC000001269661 570260107 /nfs/dbraw/zinc/26/01/07/570260107.db2.gz CJCWTDJNBCJPSO-GOSISDBHSA-N 1 0 390.524 3.327 50 0 GGAARO CCc1nc(CNC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cs1 ZINC000107755120 570260968 /nfs/dbraw/zinc/26/09/68/570260968.db2.gz LIQRSOYDEKNYKB-UHFFFAOYSA-N 1 0 376.501 3.262 50 0 GGAARO c1ccc(COc2ccccc2OCCCC[NH2+]CCN2CCOCC2)cc1 ZINC000020482136 570261759 /nfs/dbraw/zinc/26/17/59/570261759.db2.gz UJCNYZCTHSJXBI-UHFFFAOYSA-N 1 0 384.520 3.346 50 0 GGAARO c1ccc(C[NH+]2CCN(CCOCCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC000020482105 570261864 /nfs/dbraw/zinc/26/18/64/570261864.db2.gz YHFVPJXVMYHWHX-UHFFFAOYSA-N 1 0 380.532 3.389 50 0 GGAARO C[NH+]1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1 ZINC000001494443 570264267 /nfs/dbraw/zinc/26/42/67/570264267.db2.gz FTFRZXFNZVCRSK-UHFFFAOYSA-N 1 0 387.850 3.462 50 0 investigational GGAARO Cc1cc(C)n(C[C@@H](C)[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)n1 ZINC000020516095 570265056 /nfs/dbraw/zinc/26/50/56/570265056.db2.gz UWVIDTRVSQVPCQ-QGZVFWFLSA-N 1 0 386.544 3.407 50 0 GGAARO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCCN(Cc4cc[nH]n4)C3)CC2)c1 ZINC000020534377 570265758 /nfs/dbraw/zinc/26/57/58/570265758.db2.gz NPLRJHFGRYPEQI-IBGZPJMESA-N 1 0 393.457 3.215 50 0 GGAARO COc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1O ZINC000020535512 570265936 /nfs/dbraw/zinc/26/59/36/570265936.db2.gz DRDJEXNHHCQXNI-NRFANRHFSA-N 1 0 399.510 3.327 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1 ZINC000020536903 570266131 /nfs/dbraw/zinc/26/61/31/570266131.db2.gz VKRWFKKSEAFEIS-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO CC(C)(O)c1cn(C2CC[NH+](Cc3ccc([C@@H]4CCCO4)s3)CC2)nn1 ZINC000020536312 570266256 /nfs/dbraw/zinc/26/62/56/570266256.db2.gz MZTGBYJCBNAYSU-INIZCTEOSA-N 1 0 376.526 3.256 50 0 GGAARO CC(C)(O)c1cn(C2CC[NH+](Cc3ccc([C@H]4CCCO4)s3)CC2)nn1 ZINC000020536315 570266267 /nfs/dbraw/zinc/26/62/67/570266267.db2.gz MZTGBYJCBNAYSU-MRXNPFEDSA-N 1 0 376.526 3.256 50 0 GGAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)CC1 ZINC000020542538 570267004 /nfs/dbraw/zinc/26/70/04/570267004.db2.gz MJBQJTSNRVZNBB-HXUWFJFHSA-N 1 0 391.519 3.318 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1Cc1cccs1 ZINC000020542882 570267289 /nfs/dbraw/zinc/26/72/89/570267289.db2.gz JZHUNQZQRIGJHF-MRXNPFEDSA-N 1 0 388.562 3.064 50 0 GGAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN2CCCSC2=[N+]1c1ccccc1 ZINC000001779565 570268454 /nfs/dbraw/zinc/26/84/54/570268454.db2.gz QHTJHGJGXUXZCX-LJQANCHMSA-N 1 0 377.436 3.459 50 0 GGAARO Cc1cccc(-c2ncc(CN3CC[N@H+](C4CCCC4)[C@@H](CCO)C3)cn2)c1 ZINC000020598393 570269318 /nfs/dbraw/zinc/26/93/18/570269318.db2.gz MMCRLOKJHVIPTR-QFIPXVFZSA-N 1 0 380.536 3.263 50 0 GGAARO CCCCn1c(CN(C)CC[NH+](CC)CC)cnc1S(=O)(=O)CC1CCC1 ZINC000020600728 570269913 /nfs/dbraw/zinc/26/99/13/570269913.db2.gz XYNXAZFYTPHACW-UHFFFAOYSA-N 1 0 398.617 3.031 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@@H]1CCO ZINC000020600867 570269918 /nfs/dbraw/zinc/26/99/18/570269918.db2.gz NEQNWPKJVCSSHT-IBGZPJMESA-N 1 0 388.943 3.361 50 0 GGAARO Cn1ncc2c3nc([C@H]4CCC[N@H+](Cc5cccc(Cl)c5)C4)nn3cnc21 ZINC000020608534 570271636 /nfs/dbraw/zinc/27/16/36/570271636.db2.gz KLRCABKSXIAVPR-AWEZNQCLSA-N 1 0 381.871 3.044 50 0 GGAARO COc1ccc2c(c1)CCN(C(=O)NC[C@@H]1CCC[N@H+](Cc3ccco3)C1)C2 ZINC000584902795 570272024 /nfs/dbraw/zinc/27/20/24/570272024.db2.gz YGCMFSQHIRQGMP-KRWDZBQOSA-N 1 0 383.492 3.268 50 0 GGAARO Cn1ncc2c1ncnc2N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020661878 570274129 /nfs/dbraw/zinc/27/41/29/570274129.db2.gz NTBPGLFPYZQQRH-UHFFFAOYSA-N 1 0 384.487 3.275 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN1CCn2c3ccc(NC(=O)C(C)(C)C)cc3nc2C1 ZINC000020713946 570275438 /nfs/dbraw/zinc/27/54/38/570275438.db2.gz JJPQIYSVVCUIOD-KRWDZBQOSA-N 1 0 383.540 3.321 50 0 GGAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001522310 570279861 /nfs/dbraw/zinc/27/98/61/570279861.db2.gz CFROOZARMPHJFP-QGZVFWFLSA-N 1 0 379.456 3.153 50 0 GGAARO Cn1cc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000020777951 570280015 /nfs/dbraw/zinc/28/00/15/570280015.db2.gz QGIQCIPHVOETOA-FQEVSTJZSA-N 1 0 396.560 3.217 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000020786027 570280397 /nfs/dbraw/zinc/28/03/97/570280397.db2.gz GRJSSLHGUQIAOT-JOCHJYFZSA-N 1 0 379.479 3.443 50 0 GGAARO CCCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(OC)cc3)C2=O)cc1 ZINC000002320710 570282570 /nfs/dbraw/zinc/28/25/70/570282570.db2.gz JOOCGJUUIRNBLQ-FQEVSTJZSA-N 1 0 382.460 3.296 50 0 GGAARO Cc1nc2sccn2c1CN1CC[N@H+](Cc2ccccc2C)[C@@H](CCO)C1 ZINC000020878003 570283480 /nfs/dbraw/zinc/28/34/80/570283480.db2.gz YCMXLJVNNIIPMW-IBGZPJMESA-N 1 0 384.549 3.081 50 0 GGAARO COc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c1OC ZINC000020905557 570283705 /nfs/dbraw/zinc/28/37/05/570283705.db2.gz VHSNIPHEZBPJJD-FQEVSTJZSA-N 1 0 376.541 3.153 50 0 GGAARO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](Cc2ccccc2C)[C@@H](CCO)C1 ZINC000020908393 570283980 /nfs/dbraw/zinc/28/39/80/570283980.db2.gz ZRSDKKNFNDQHFM-QFIPXVFZSA-N 1 0 384.568 3.458 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccc4nccnc34)C[C@@H]2CCO)cc1 ZINC000020912906 570284389 /nfs/dbraw/zinc/28/43/89/570284389.db2.gz ZZTDUBUSCKVVBK-NRFANRHFSA-N 1 0 376.504 3.007 50 0 GGAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c(OC)c1C ZINC000020911990 570284482 /nfs/dbraw/zinc/28/44/82/570284482.db2.gz SGQUZEAGIANKAS-FQEVSTJZSA-N 1 0 376.541 3.214 50 0 GGAARO COc1ccc(-c2ncc(C[NH2+][C@H]3COc4c(cccc4OC)C3)cn2)cc1 ZINC000020917651 570285049 /nfs/dbraw/zinc/28/50/49/570285049.db2.gz RNKYJNPXMHJEBZ-GOSISDBHSA-N 1 0 377.444 3.254 50 0 GGAARO CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002398438 570285863 /nfs/dbraw/zinc/28/58/63/570285863.db2.gz RBKWAZRGYYEFGF-FQEVSTJZSA-N 1 0 392.455 3.299 50 0 GGAARO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020995707 570286352 /nfs/dbraw/zinc/28/63/52/570286352.db2.gz YGXJQIBOWATFGF-FQEVSTJZSA-N 1 0 397.519 3.099 50 0 GGAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000102147321 570287628 /nfs/dbraw/zinc/28/76/28/570287628.db2.gz URJPGGDNHYRRKA-MOJGAOKDSA-N 1 0 399.494 3.205 50 0 GGAARO Cc1ccc(-c2cc(C(=O)N(Cc3ccncc3)C3CC[NH+](C)CC3)[nH]n2)o1 ZINC000102547595 570289830 /nfs/dbraw/zinc/28/98/30/570289830.db2.gz JNWTVYLXCYRGSC-UHFFFAOYSA-N 1 0 379.464 3.110 50 0 GGAARO COc1cc(Cl)cc(CN2CCC[N@H+](Cc3cccnc3)CC2)c1OC ZINC000215667251 570290792 /nfs/dbraw/zinc/29/07/92/570290792.db2.gz JWOPHXNJUNIBNG-UHFFFAOYSA-N 1 0 375.900 3.460 50 0 GGAARO Cc1ccc([C@@H](CNC(=O)CCCN2CCCC2=O)[NH+]2CCC(C)CC2)cc1 ZINC000215830774 570292165 /nfs/dbraw/zinc/29/21/65/570292165.db2.gz LTPYAGPUMMQMJO-OAQYLSRUSA-N 1 0 385.552 3.287 50 0 GGAARO Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793648 570295896 /nfs/dbraw/zinc/29/58/96/570295896.db2.gz RDNQWGKQRNGTCQ-UHFFFAOYSA-N 1 0 385.899 3.001 50 0 GGAARO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795129 570296448 /nfs/dbraw/zinc/29/64/48/570296448.db2.gz NDPWYPIYPCQDKT-UHFFFAOYSA-N 1 0 394.523 3.356 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1cccs1 ZINC000021805467 570296730 /nfs/dbraw/zinc/29/67/30/570296730.db2.gz OKKROOUOSHEGEJ-OAHLLOKOSA-N 1 0 399.472 3.207 50 0 GGAARO c1ccc(OCCN2CCOCC2)c(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000216336958 570299290 /nfs/dbraw/zinc/29/92/90/570299290.db2.gz XGVWKSSPRQSBOP-UHFFFAOYSA-N 1 0 381.520 3.172 50 0 GGAARO C[N@@H+]1CCN(Cc2ccc(-c3ccccc3F)cc2)C[C@@]12CCNC(=O)CC2 ZINC000107400938 570309356 /nfs/dbraw/zinc/30/93/56/570309356.db2.gz VLUBYTBYLCDWNM-HSZRJFAPSA-N 1 0 381.495 3.279 50 0 GGAARO O[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000108257112 570312309 /nfs/dbraw/zinc/31/23/09/570312309.db2.gz OTCVZBOLBRMQGQ-NRFANRHFSA-N 1 0 396.922 3.409 50 0 GGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000022851610 570331412 /nfs/dbraw/zinc/33/14/12/570331412.db2.gz NMAXAULVVUDLLX-HXUWFJFHSA-N 1 0 381.520 3.187 50 0 GGAARO C[N@H+](Cc1ccc(N2CCNC2=O)cc1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000022851929 570331776 /nfs/dbraw/zinc/33/17/76/570331776.db2.gz HOZVQFOOUYUILA-OAQYLSRUSA-N 1 0 396.510 3.452 50 0 GGAARO CN(CC[N@@H+]1CCc2ccccc2C1)Cc1nc(Cc2ccccc2F)no1 ZINC000022919433 570335675 /nfs/dbraw/zinc/33/56/75/570335675.db2.gz USLNZGVKCMMHKP-UHFFFAOYSA-N 1 0 380.467 3.290 50 0 GGAARO O=C(CCCc1ccccc1)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000011697801 570344815 /nfs/dbraw/zinc/34/48/15/570344815.db2.gz RNVGCIHRCHFOKR-UHFFFAOYSA-N 1 0 376.464 3.166 50 0 GGAARO COc1cccc(N2CC[NH+](Cc3cc4cc(C)ccc4n(C)c3=O)CC2)c1 ZINC000023129250 570345194 /nfs/dbraw/zinc/34/51/94/570345194.db2.gz ACNWJPYXVZSVPS-UHFFFAOYSA-N 1 0 377.488 3.178 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cnc(-c3ccccc3C)nc2)C[C@@H]1CCO ZINC000023146056 570346924 /nfs/dbraw/zinc/34/69/24/570346924.db2.gz RLMWQLPGOHGWFE-NRFANRHFSA-N 1 0 380.536 3.287 50 0 GGAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)n1 ZINC000023251477 570352568 /nfs/dbraw/zinc/35/25/68/570352568.db2.gz SAZZMSCZIXHNDE-SFHVURJKSA-N 1 0 378.524 3.333 50 0 GGAARO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575615843 570355345 /nfs/dbraw/zinc/35/53/45/570355345.db2.gz IQQNJJVOHKZSPJ-UHFFFAOYSA-N 1 0 394.606 3.157 50 0 GGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000023373953 570357843 /nfs/dbraw/zinc/35/78/43/570357843.db2.gz JQTFGZCMSKUKAD-OAQYLSRUSA-N 1 0 375.520 3.406 50 0 GGAARO C[N@H+](CCn1cccn1)Cc1cccc(-c2nc(-c3ccccc3)cc(=O)[nH]2)c1 ZINC000023380465 570359454 /nfs/dbraw/zinc/35/94/54/570359454.db2.gz ZJTRHJLCHRHSKD-UHFFFAOYSA-N 1 0 385.471 3.432 50 0 GGAARO CCC([NH3+])(CC)c1cn(C[C@H]2CCCN(C(=O)Nc3ccsc3)C2)nn1 ZINC000023398561 570360943 /nfs/dbraw/zinc/36/09/43/570360943.db2.gz KQCDWKHLEZHLKY-AWEZNQCLSA-N 1 0 376.530 3.258 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1c(C)ccc1C ZINC000604404285 570361466 /nfs/dbraw/zinc/36/14/66/570361466.db2.gz BAZWBZUEGFNGOA-LEWJYISDSA-N 1 0 375.557 3.235 50 0 GGAARO NC(=O)c1ccc([C@@H]2CCCN2C(=O)CCC[NH+]2Cc3ccccc3C2)s1 ZINC000023430340 570362412 /nfs/dbraw/zinc/36/24/12/570362412.db2.gz BEDOYBUMBNHCIX-KRWDZBQOSA-N 1 0 383.517 3.307 50 0 GGAARO O=C(c1ccc([C@@H]2CCC[N@@H+]2CC2CCOCC2)s1)N1CCC(CO)CC1 ZINC000023541026 570364897 /nfs/dbraw/zinc/36/48/97/570364897.db2.gz GIYJAEIACMXDDI-SFHVURJKSA-N 1 0 392.565 3.156 50 0 GGAARO Cc1nc(-c2ccc(N3CCC([N@H+](C)C[C@H]4COCCO4)CC3)cc2)cs1 ZINC000023620060 570366855 /nfs/dbraw/zinc/36/68/55/570366855.db2.gz XRHSPPYZZMAFJC-FQEVSTJZSA-N 1 0 387.549 3.435 50 0 GGAARO Cc1nc(-c2ccc(N3CCC([N@H+](C)C[C@@H]4COCCO4)CC3)cc2)cs1 ZINC000023620057 570366881 /nfs/dbraw/zinc/36/68/81/570366881.db2.gz XRHSPPYZZMAFJC-HXUWFJFHSA-N 1 0 387.549 3.435 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cc2ccccc2o1 ZINC000575621752 570370382 /nfs/dbraw/zinc/37/03/82/570370382.db2.gz STGLVKWJQNQGSL-INIZCTEOSA-N 1 0 387.386 3.069 50 0 GGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c(OC)c1OC ZINC000000819244 570372462 /nfs/dbraw/zinc/37/24/62/570372462.db2.gz SESJBCZRAQTVRU-UHFFFAOYSA-N 1 0 390.524 3.183 50 0 GGAARO CCOc1ccccc1NC(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022767007 570376627 /nfs/dbraw/zinc/37/66/27/570376627.db2.gz ROBXFNLDROPUQC-GOSISDBHSA-N 1 0 388.537 3.257 50 0 GGAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 ZINC000219968887 570379542 /nfs/dbraw/zinc/37/95/42/570379542.db2.gz PTSFKHKBNLSMMJ-ZOGYUUGASA-N 1 0 381.520 3.283 50 0 GGAARO C[NH+](C)Cc1csc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)c1 ZINC000221264615 570392428 /nfs/dbraw/zinc/39/24/28/570392428.db2.gz AUEZETGUBWLEBH-NRFANRHFSA-N 1 0 382.533 3.104 50 0 GGAARO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4cc(C)nc(C)n4)CC3)n2)cc1 ZINC000032923447 570396961 /nfs/dbraw/zinc/39/69/61/570396961.db2.gz FZEWXDHUNPWSHV-UHFFFAOYSA-N 1 0 392.507 3.207 50 0 GGAARO O=C(c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1)N1CCCCO1 ZINC000012449223 570418905 /nfs/dbraw/zinc/41/89/05/570418905.db2.gz UXLYWKMPARAVRR-UHFFFAOYSA-N 1 0 381.476 3.293 50 0 GGAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005121478 570421371 /nfs/dbraw/zinc/42/13/71/570421371.db2.gz BQEWUHQKBWJNAY-UHFFFAOYSA-N 1 0 389.502 3.337 50 0 GGAARO Cc1cc2sc(N(CCC[NH+](C)C)C(=O)C3=COCCO3)nc2c(C)c1 ZINC000005122589 570421805 /nfs/dbraw/zinc/42/18/05/570421805.db2.gz VKBWYUJKHOQHTA-UHFFFAOYSA-N 1 0 375.494 3.086 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)cc1 ZINC000036385781 570422540 /nfs/dbraw/zinc/42/25/40/570422540.db2.gz YHZKZBSIWQKESJ-JOCHJYFZSA-N 1 0 390.531 3.250 50 0 GGAARO COc1ccc(Cc2noc(-c3ccc(N4CC[N@@H+]5CCC[C@H]5C4)nc3)n2)cc1 ZINC000244734559 570433616 /nfs/dbraw/zinc/43/36/16/570433616.db2.gz NHZCMOHZQGVLSK-SFHVURJKSA-N 1 0 391.475 3.015 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+]Cc3ccccc3)cc21 ZINC000001854238 570437485 /nfs/dbraw/zinc/43/74/85/570437485.db2.gz XFOFRJHLQZXTAG-GOSISDBHSA-N 1 0 396.487 3.193 50 0 GGAARO Cn1cccc1[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000011897842 570444420 /nfs/dbraw/zinc/44/44/20/570444420.db2.gz CMXCMVBOFLETBM-FQEVSTJZSA-N 1 0 393.528 3.201 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)COc3ccc(C)c(C)c3)CCCCC2)CC1 ZINC000028403169 570458628 /nfs/dbraw/zinc/45/86/28/570458628.db2.gz FKADWWIWVOTLSJ-UHFFFAOYSA-N 1 0 387.568 3.139 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)COc3ccc(Cl)cc3)CCCCC2)CC1 ZINC000028403234 570459040 /nfs/dbraw/zinc/45/90/40/570459040.db2.gz JCAZXDUQVWYBAI-UHFFFAOYSA-N 1 0 393.959 3.175 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)COc3c(C)cccc3C)CCCCC2)CC1 ZINC000028403230 570459227 /nfs/dbraw/zinc/45/92/27/570459227.db2.gz SMVSWDZSGZVNEY-UHFFFAOYSA-N 1 0 387.568 3.139 50 0 GGAARO C[NH+]1CCC(CNC(=O)Cc2c(F)ccc(F)c2F)(c2ccccc2)CC1 ZINC000223377485 570462770 /nfs/dbraw/zinc/46/27/70/570462770.db2.gz HLCYYKXSPJPYKO-UHFFFAOYSA-N 1 0 376.422 3.426 50 0 GGAARO O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000064906893 570473674 /nfs/dbraw/zinc/47/36/74/570473674.db2.gz SSYMKUDFYQJJLS-UHFFFAOYSA-N 1 0 396.472 3.236 50 0 GGAARO CC1(C)CC(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC(C)(C)[NH2+]1 ZINC000029787116 570479811 /nfs/dbraw/zinc/47/98/11/570479811.db2.gz AIICKNQBVIUQOY-UHFFFAOYSA-N 1 0 396.535 3.162 50 0 GGAARO COc1ccc(-c2ccc(C(=O)N(C)C[C@@]3(C)CC[N@H+](C)C3)cc2)cc1CO ZINC000426627829 570502579 /nfs/dbraw/zinc/50/25/79/570502579.db2.gz QOSRFXULJCCWQF-QHCPKHFHSA-N 1 0 382.504 3.268 50 0 GGAARO C[C@H]1Cc2ccccc2N1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000079169390 570510568 /nfs/dbraw/zinc/51/05/68/570510568.db2.gz OGBBTISOBNPJSF-SFHVURJKSA-N 1 0 378.520 3.095 50 0 GGAARO Cn1ncc(Cl)c1C(=O)Nc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000002763553 570512313 /nfs/dbraw/zinc/51/23/13/570512313.db2.gz GPRGWZRHNSGGHM-UHFFFAOYSA-N 1 0 386.887 3.161 50 0 GGAARO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002782361 570514070 /nfs/dbraw/zinc/51/40/70/570514070.db2.gz XKRHNEJSEWODII-ZDUSSCGKSA-N 1 0 391.466 3.395 50 0 GGAARO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002782360 570514076 /nfs/dbraw/zinc/51/40/76/570514076.db2.gz XKRHNEJSEWODII-CYBMUJFWSA-N 1 0 391.466 3.395 50 0 GGAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](C)C[C@@H]12 ZINC000036056316 570524348 /nfs/dbraw/zinc/52/43/48/570524348.db2.gz HILOINODNGRDPM-IRLDBZIGSA-N 1 0 394.906 3.426 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1F ZINC000033326773 570525083 /nfs/dbraw/zinc/52/50/83/570525083.db2.gz JPIHYABHADJMPH-UHFFFAOYSA-N 1 0 398.486 3.187 50 0 GGAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3ccc4c(c3)OCCO4)C2)c1C ZINC000002966262 570525284 /nfs/dbraw/zinc/52/52/84/570525284.db2.gz ILCSUBPPZBDSCJ-HSZRJFAPSA-N 1 0 379.480 3.335 50 0 GGAARO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000022698028 570528188 /nfs/dbraw/zinc/52/81/88/570528188.db2.gz KTOQWUOBUCNPDV-QFIPXVFZSA-N 1 0 390.487 3.276 50 0 GGAARO COC(=O)[C@H]1N(C(=O)C[NH2+]Cc2ccccc2)[C@@H](c2ccccc2)SC1(C)C ZINC000033894845 570529633 /nfs/dbraw/zinc/52/96/33/570529633.db2.gz RONZPIVXPXDNLA-WOJBJXKFSA-N 1 0 398.528 3.371 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)o1 ZINC000019228598 570536457 /nfs/dbraw/zinc/53/64/57/570536457.db2.gz SVVLGUGOMNKOLY-IBGZPJMESA-N 1 0 399.535 3.221 50 0 GGAARO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000263972783 570545128 /nfs/dbraw/zinc/54/51/28/570545128.db2.gz XNRUDWSFTQMMMK-LJQANCHMSA-N 1 0 381.524 3.006 50 0 GGAARO COc1ccc([C@H](CNC(=O)Nc2cccc(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022794054 570548031 /nfs/dbraw/zinc/54/80/31/570548031.db2.gz AWLHHAIYYATXRN-NRFANRHFSA-N 1 0 382.508 3.114 50 0 GGAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794892 570548361 /nfs/dbraw/zinc/54/83/61/570548361.db2.gz QTWOQYAIAMIPFD-QFIPXVFZSA-N 1 0 381.520 3.112 50 0 GGAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022822282 570554063 /nfs/dbraw/zinc/55/40/63/570554063.db2.gz LFNIBTNXWVEVFP-WWNAGFPVSA-N 1 0 398.591 3.398 50 0 GGAARO C/C=C/c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022836299 570554621 /nfs/dbraw/zinc/55/46/21/570554621.db2.gz GXTSPQLTLPKKOH-DWUINAILSA-N 1 0 396.531 3.286 50 0 GGAARO CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855168 570557418 /nfs/dbraw/zinc/55/74/18/570557418.db2.gz NXGGFBFDWLRQRG-HNNXBMFYSA-N 1 0 392.912 3.258 50 0 GGAARO COc1cccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c1OC ZINC000036384463 570564733 /nfs/dbraw/zinc/56/47/33/570564733.db2.gz NGVROKCGSKDCKK-JOCHJYFZSA-N 1 0 398.547 3.205 50 0 GGAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)cc1 ZINC000036382364 570564803 /nfs/dbraw/zinc/56/48/03/570564803.db2.gz BFAXEXRADMZPMP-IBGZPJMESA-N 1 0 390.491 3.130 50 0 GGAARO COc1ccc(/C=C/CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000036385613 570564882 /nfs/dbraw/zinc/56/48/82/570564882.db2.gz GWUDYLAZZJONIT-NPOAWEEOSA-N 1 0 380.532 3.320 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)cc1OC ZINC000036384462 570564919 /nfs/dbraw/zinc/56/49/19/570564919.db2.gz AEEMKZGOMJZRQN-JOCHJYFZSA-N 1 0 398.547 3.205 50 0 GGAARO CC(=O)c1cnn(-c2cc(NCCC[NH+](C)C)nc(-c3ccccc3)n2)c1C ZINC000005425756 570590233 /nfs/dbraw/zinc/59/02/33/570590233.db2.gz XWLXUCIZQAYVKY-UHFFFAOYSA-N 1 0 378.480 3.204 50 0 GGAARO O=c1c(C[NH2+]CCn2ccnc2)cc2ccc(F)cc2n1CCc1ccccc1 ZINC000012055295 570601898 /nfs/dbraw/zinc/60/18/98/570601898.db2.gz ZXWFQRMGGXORSY-UHFFFAOYSA-N 1 0 390.462 3.370 50 0 GGAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012058674 570603535 /nfs/dbraw/zinc/60/35/35/570603535.db2.gz HEZODWZMXZPZDA-DEOSSOPVSA-N 1 0 397.515 3.446 50 0 GGAARO Cc1n[nH]c(C)c1CNC(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000043004864 570624860 /nfs/dbraw/zinc/62/48/60/570624860.db2.gz VHKNYCOZVWDGKL-UHFFFAOYSA-N 1 0 388.515 3.312 50 0 GGAARO CCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)cn1 ZINC000012385735 570650802 /nfs/dbraw/zinc/65/08/02/570650802.db2.gz OZWKHPMPTFKOSI-CUWPLCDZSA-N 1 0 384.911 3.494 50 0 GGAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CCCSC)CC3)on2)c1 ZINC000012386414 570651335 /nfs/dbraw/zinc/65/13/35/570651335.db2.gz HCTKFEFBRRLROC-UHFFFAOYSA-N 1 0 376.522 3.473 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ocnc1C ZINC000012386544 570651529 /nfs/dbraw/zinc/65/15/29/570651529.db2.gz KHJVPECBSBJGFB-LJQANCHMSA-N 1 0 385.508 3.408 50 0 GGAARO CC[C@@H]1CN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000012387563 570652275 /nfs/dbraw/zinc/65/22/75/570652275.db2.gz XVSDSAMLXRDSCO-LJQANCHMSA-N 1 0 377.492 3.447 50 0 GGAARO CC(=O)NCC1CC[NH+](Cc2ccccc2-c2nc(C(C)(C)C)cc(=O)[nH]2)CC1 ZINC000048428414 570658394 /nfs/dbraw/zinc/65/83/94/570658394.db2.gz YDEWOWHIRFLGGU-UHFFFAOYSA-N 1 0 396.535 3.083 50 0 GGAARO COCCNC(=O)CCC1CC[NH+](Cc2c[nH]nc2-c2cc(C)ccc2C)CC1 ZINC000012430065 570658645 /nfs/dbraw/zinc/65/86/45/570658645.db2.gz HSCGNJAJCLHKDH-UHFFFAOYSA-N 1 0 398.551 3.448 50 0 GGAARO O=C(/C=C/c1ccccc1)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012432282 570660249 /nfs/dbraw/zinc/66/02/49/570660249.db2.gz DSYVYVRDOUINHC-CMDGGOBGSA-N 1 0 395.547 3.025 50 0 GGAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000012432587 570660668 /nfs/dbraw/zinc/66/06/68/570660668.db2.gz KZDPEMFXJGFSOP-UHFFFAOYSA-N 1 0 385.508 3.343 50 0 GGAARO CCOc1ccc2nc(C[NH+]3CCC(CCC(=O)NCCOC)CC3)ccc2c1 ZINC000012435138 570661671 /nfs/dbraw/zinc/66/16/71/570661671.db2.gz AOMNKEYWSODUHE-UHFFFAOYSA-N 1 0 399.535 3.388 50 0 GGAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000012442232 570665125 /nfs/dbraw/zinc/66/51/25/570665125.db2.gz RMBYUVOIPZLEOG-UHFFFAOYSA-N 1 0 391.475 3.376 50 0 GGAARO CN(C(=O)c1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012444800 570665527 /nfs/dbraw/zinc/66/55/27/570665527.db2.gz CFJRMSKIGYGPNO-OAHLLOKOSA-N 1 0 392.425 3.132 50 0 GGAARO CN(Cc1ccon1)c1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000012443513 570665667 /nfs/dbraw/zinc/66/56/67/570665667.db2.gz QFVFWCCNRLYCFY-UHFFFAOYSA-N 1 0 397.523 3.187 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cncn3)cc2)c(F)c1 ZINC000012446892 570666683 /nfs/dbraw/zinc/66/66/83/570666683.db2.gz PHNBLAABACTMCS-UHFFFAOYSA-N 1 0 378.411 3.095 50 0 GGAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000012446875 570666943 /nfs/dbraw/zinc/66/69/43/570666943.db2.gz FCHOPHDQSROZBX-QFIPXVFZSA-N 1 0 390.531 3.432 50 0 GGAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCc1cccs1 ZINC000012452520 570668234 /nfs/dbraw/zinc/66/82/34/570668234.db2.gz QKXRCYFTDWJRTP-QGZVFWFLSA-N 1 0 376.497 3.479 50 0 GGAARO Cn1cc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cn1 ZINC000012457428 570669593 /nfs/dbraw/zinc/66/95/93/570669593.db2.gz PCPRORHDONASKB-XMMPIXPASA-N 1 0 394.563 3.300 50 0 GGAARO Cc1ccn(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000012458071 570669859 /nfs/dbraw/zinc/66/98/59/570669859.db2.gz NCKBXWIWMONGTM-HSZRJFAPSA-N 1 0 380.536 3.139 50 0 GGAARO CC(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000012477029 570673700 /nfs/dbraw/zinc/67/37/00/570673700.db2.gz XIXSSNAZUWXABJ-QFIPXVFZSA-N 1 0 379.504 3.472 50 0 GGAARO Cc1ccc(N(C[C@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000864212 570673792 /nfs/dbraw/zinc/67/37/92/570673792.db2.gz WOSBWXMYRPCZJL-HXUWFJFHSA-N 1 0 388.533 3.037 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)CCSC ZINC000012479378 570674397 /nfs/dbraw/zinc/67/43/97/570674397.db2.gz DEKRSSJCVLKGSZ-UHFFFAOYSA-N 1 0 394.581 3.135 50 0 GGAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CCSC ZINC000012507599 570675132 /nfs/dbraw/zinc/67/51/32/570675132.db2.gz FRSBLRCLNPRVTC-SFHVURJKSA-N 1 0 390.593 3.094 50 0 GGAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012573278 570681970 /nfs/dbraw/zinc/68/19/70/570681970.db2.gz IILJBBUVHSDLSP-JOCHJYFZSA-N 1 0 391.458 3.153 50 0 GGAARO OCCOc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012573286 570682040 /nfs/dbraw/zinc/68/20/40/570682040.db2.gz IILJBBUVHSDLSP-QFIPXVFZSA-N 1 0 391.458 3.153 50 0 GGAARO COC[C@H](C)NC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012574982 570682259 /nfs/dbraw/zinc/68/22/59/570682259.db2.gz SKAVZSXPKGTSHH-INIZCTEOSA-N 1 0 390.524 3.246 50 0 GGAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2coc(COc3cccc(F)c3F)n2)C1 ZINC000012576643 570682453 /nfs/dbraw/zinc/68/24/53/570682453.db2.gz BEDBSEFWTJQTQY-CQSZACIVSA-N 1 0 393.434 3.382 50 0 GGAARO O=C(c1csnn1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012580960 570683920 /nfs/dbraw/zinc/68/39/20/570683920.db2.gz JZSLYJJBAASIPP-CQSZACIVSA-N 1 0 392.475 3.191 50 0 GGAARO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc(C)c1O ZINC000012583201 570684520 /nfs/dbraw/zinc/68/45/20/570684520.db2.gz DLFFDJIEQWGJMX-GOSISDBHSA-N 1 0 398.507 3.018 50 0 GGAARO Cn1cc(C[N@H+](C)C[C@H](O)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012587644 570685542 /nfs/dbraw/zinc/68/55/42/570685542.db2.gz VVRFJWDBDBBQAN-IBGZPJMESA-N 1 0 379.460 3.024 50 0 GGAARO COC(=O)c1ccc(C[NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)cc1 ZINC000012588282 570685985 /nfs/dbraw/zinc/68/59/85/570685985.db2.gz QEDSBVKDEITBOU-UHFFFAOYSA-N 1 0 398.507 3.491 50 0 GGAARO CCOC(=O)N1CCC([NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)CC1 ZINC000012588593 570686066 /nfs/dbraw/zinc/68/60/66/570686066.db2.gz LIURPVOHYIUQDY-INIZCTEOSA-N 1 0 388.537 3.476 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000012591335 570687152 /nfs/dbraw/zinc/68/71/52/570687152.db2.gz PDAIZIJHIVEAFJ-QFIPXVFZSA-N 1 0 385.508 3.269 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccoc1 ZINC000012591183 570687206 /nfs/dbraw/zinc/68/72/06/570687206.db2.gz OZMJUNDODDFMRA-GOSISDBHSA-N 1 0 382.504 3.248 50 0 GGAARO O=C(C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2)c1ccco1 ZINC000012591670 570687567 /nfs/dbraw/zinc/68/75/67/570687567.db2.gz HQFBRUZPPVYSMR-HSZRJFAPSA-N 1 0 380.488 3.410 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000012593815 570688038 /nfs/dbraw/zinc/68/80/38/570688038.db2.gz QXFYKQMELSTRRB-GOSISDBHSA-N 1 0 390.487 3.245 50 0 GGAARO COCCc1nc2ccc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)cc2o1 ZINC000012594457 570688463 /nfs/dbraw/zinc/68/84/63/570688463.db2.gz RKEWNHOZMMVIER-LJQANCHMSA-N 1 0 393.487 3.236 50 0 GGAARO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012597306 570689983 /nfs/dbraw/zinc/68/99/83/570689983.db2.gz TWSUHTKCWCVAGR-FQEVSTJZSA-N 1 0 375.900 3.462 50 0 GGAARO Cc1cc(OCc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)no2)cc(C)c1Cl ZINC000012703462 570699559 /nfs/dbraw/zinc/69/95/59/570699559.db2.gz FLFHRELRGHSOSK-AWEZNQCLSA-N 1 0 377.872 3.300 50 0 GGAARO COc1ccccc1OCC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012705342 570700065 /nfs/dbraw/zinc/70/00/65/570700065.db2.gz ZSOVWHDZMVBVPM-FQEVSTJZSA-N 1 0 382.504 3.287 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3ccc(C)nc3)C2)cc1 ZINC000012707316 570700957 /nfs/dbraw/zinc/70/09/57/570700957.db2.gz XSQADZNWZXWAPY-HXUWFJFHSA-N 1 0 381.520 3.425 50 0 GGAARO C[NH+](C)CCN(C(=O)Cc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359342 570701578 /nfs/dbraw/zinc/70/15/78/570701578.db2.gz ARYXYTJGGCQUHK-UHFFFAOYSA-N 1 0 383.473 3.162 50 0 GGAARO O=C(c1cccc(OC2CC[NH+](CCCn3cccn3)CC2)c1)N1CCCC1 ZINC000012710822 570702183 /nfs/dbraw/zinc/70/21/83/570702183.db2.gz UFKPKHBFQREYQA-UHFFFAOYSA-N 1 0 382.508 3.053 50 0 GGAARO CC(=O)NCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012709715 570702293 /nfs/dbraw/zinc/70/22/93/570702293.db2.gz UJEJFXZDNPZEMA-HSZRJFAPSA-N 1 0 385.552 3.151 50 0 GGAARO CCC[NH+]1CCC(CCNC(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 ZINC000012711178 570702557 /nfs/dbraw/zinc/70/25/57/570702557.db2.gz IKCBMWBBIMLJFI-RMKNXTFCSA-N 1 0 381.524 3.233 50 0 GGAARO CC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000017269419 570703008 /nfs/dbraw/zinc/70/30/08/570703008.db2.gz KQOJWIWEWIWHQC-OAHLLOKOSA-N 1 0 389.521 3.126 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCO1 ZINC000012713485 570703094 /nfs/dbraw/zinc/70/30/94/570703094.db2.gz LKKQAXLJNQELJP-LJQANCHMSA-N 1 0 393.959 3.080 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](C2CSCCSC2)CC1)C1CCCC1 ZINC000012713084 570703191 /nfs/dbraw/zinc/70/31/91/570703191.db2.gz DPDLRLMRXPJRAO-UHFFFAOYSA-N 1 0 394.610 3.497 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCN1CCCO1 ZINC000012713481 570703401 /nfs/dbraw/zinc/70/34/01/570703401.db2.gz LKKQAXLJNQELJP-IBGZPJMESA-N 1 0 393.959 3.080 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2)CC1 ZINC000012717989 570705359 /nfs/dbraw/zinc/70/53/59/570705359.db2.gz PEVAUKMFZYVLCB-FQEVSTJZSA-N 1 0 394.943 3.320 50 0 GGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)cc1OC ZINC000012745966 570708043 /nfs/dbraw/zinc/70/80/43/570708043.db2.gz RFMXAKKQWOZMLR-LJQANCHMSA-N 1 0 399.487 3.170 50 0 GGAARO COc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc(OC)c1OC ZINC000012754072 570710090 /nfs/dbraw/zinc/71/00/90/570710090.db2.gz GLLQEXYQRDMBPU-IBGZPJMESA-N 1 0 398.503 3.149 50 0 GGAARO CC[NH+]1CCN(c2nc3nccnc3c(Nc3ccc(C)c(Cl)c3)n2)CC1 ZINC000013010911 570741824 /nfs/dbraw/zinc/74/18/24/570741824.db2.gz DUXBCXXCUYPVET-UHFFFAOYSA-N 1 0 383.887 3.267 50 0 GGAARO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031369 570778496 /nfs/dbraw/zinc/77/84/96/570778496.db2.gz FPRPXNFJLALCJU-OXJNMPFZSA-N 1 0 386.540 3.489 50 0 GGAARO Cc1c2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000013735901 570784072 /nfs/dbraw/zinc/78/40/72/570784072.db2.gz GYKYNOABVDBVSV-SFHVURJKSA-N 1 0 381.472 3.430 50 0 GGAARO CCCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1Cl ZINC000174791462 570801970 /nfs/dbraw/zinc/80/19/70/570801970.db2.gz DYFYHVGRAPEIIQ-LSDHHAIUSA-N 1 0 378.904 3.180 50 0 GGAARO COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000005998832 570813224 /nfs/dbraw/zinc/81/32/24/570813224.db2.gz HKDIGEWWDHALIS-UHFFFAOYSA-N 1 0 391.874 3.464 50 0 GGAARO CCOc1ccccc1S(=O)(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043953893 570843945 /nfs/dbraw/zinc/84/39/45/570843945.db2.gz ZKTIYQUGOKBMMI-UHFFFAOYSA-N 1 0 394.562 3.337 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC000014535531 570848012 /nfs/dbraw/zinc/84/80/12/570848012.db2.gz AABGBVFQEBRBMB-IBGZPJMESA-N 1 0 398.526 3.358 50 0 GGAARO CC(C)OCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014536295 570848613 /nfs/dbraw/zinc/84/86/13/570848613.db2.gz XLHOCYRRJRMDAX-SFHVURJKSA-N 1 0 390.572 3.037 50 0 GGAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014537947 570848697 /nfs/dbraw/zinc/84/86/97/570848697.db2.gz FYDHKZNCSKUOBH-UHFFFAOYSA-N 1 0 386.540 3.179 50 0 GGAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014537761 570848699 /nfs/dbraw/zinc/84/86/99/570848699.db2.gz FYBFIGKZABJCHY-UHFFFAOYSA-N 1 0 392.503 3.289 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000014538527 570848967 /nfs/dbraw/zinc/84/89/67/570848967.db2.gz XABGGQIWWKTPNR-INIZCTEOSA-N 1 0 386.565 3.280 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014541027 570849132 /nfs/dbraw/zinc/84/91/32/570849132.db2.gz FTWLWJMJCSRMSS-KRWDZBQOSA-N 1 0 386.565 3.487 50 0 GGAARO COc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014732500 570857552 /nfs/dbraw/zinc/85/75/52/570857552.db2.gz OZDLPEANRYGOOQ-LAUBAEHRSA-N 1 0 394.515 3.105 50 0 GGAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014743205 570858485 /nfs/dbraw/zinc/85/84/85/570858485.db2.gz RAXZPTBAFSVFAO-HXUWFJFHSA-N 1 0 381.520 3.314 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000014742460 570858492 /nfs/dbraw/zinc/85/84/92/570858492.db2.gz MZQCNMOFDRLCEZ-QGZVFWFLSA-N 1 0 390.597 3.262 50 0 GGAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014747939 570858903 /nfs/dbraw/zinc/85/89/03/570858903.db2.gz FNIHOHHBWUXPFY-UHFFFAOYSA-N 1 0 386.540 3.177 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1cccc(C)c1)C2 ZINC000014748491 570858952 /nfs/dbraw/zinc/85/89/52/570858952.db2.gz NARWZDRLCQIXHY-SFHVURJKSA-N 1 0 398.576 3.048 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000014949850 570865532 /nfs/dbraw/zinc/86/55/32/570865532.db2.gz XTTFKHVUAHSCEH-INIZCTEOSA-N 1 0 394.562 3.256 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccccc2F)cc1 ZINC000014955142 570866078 /nfs/dbraw/zinc/86/60/78/570866078.db2.gz IUUSFCMDDCYULG-FQEVSTJZSA-N 1 0 398.478 3.326 50 0 GGAARO COc1cc(C[C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)NCc3ccco3)CC2)ccc1O ZINC000014958780 570866303 /nfs/dbraw/zinc/86/63/03/570866303.db2.gz ULPLRWCSLYNASL-QFBILLFUSA-N 1 0 398.503 3.343 50 0 GGAARO O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014962512 570866620 /nfs/dbraw/zinc/86/66/20/570866620.db2.gz JLHXUCJPJZQIMS-LJQANCHMSA-N 1 0 383.536 3.336 50 0 GGAARO Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000014964006 570866625 /nfs/dbraw/zinc/86/66/25/570866625.db2.gz JVUJMEIEUYBRHG-UHFFFAOYSA-N 1 0 387.499 3.386 50 0 GGAARO CCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)cn1 ZINC000014963880 570866642 /nfs/dbraw/zinc/86/66/42/570866642.db2.gz UQWXRARFWXZHAZ-HSZRJFAPSA-N 1 0 394.519 3.062 50 0 GGAARO CCn1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)cn1 ZINC000014961656 570866806 /nfs/dbraw/zinc/86/68/06/570866806.db2.gz CRNAIPDSLTYKHL-JOCHJYFZSA-N 1 0 382.508 3.040 50 0 GGAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](C[C@@H]4CCOC4)CC3)c2)s1 ZINC000014969846 570867508 /nfs/dbraw/zinc/86/75/08/570867508.db2.gz QFBVJIBAMPWETD-HNNXBMFYSA-N 1 0 386.521 3.201 50 0 GGAARO CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000014967037 570867567 /nfs/dbraw/zinc/86/75/67/570867567.db2.gz HWQRUZQIUINTHZ-OAQYLSRUSA-N 1 0 397.563 3.148 50 0 GGAARO CCNc1cc(NCCNC(=O)Nc2cc(Cl)ccc2OC)nc(C)[nH+]1 ZINC000044213725 570871194 /nfs/dbraw/zinc/87/11/94/570871194.db2.gz NLVRPUANFGVTQW-UHFFFAOYSA-N 1 0 378.864 3.112 50 0 GGAARO CC(C)OCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000015005503 570871222 /nfs/dbraw/zinc/87/12/22/570871222.db2.gz YWAFHHKWSOEWDF-INIZCTEOSA-N 1 0 396.915 3.355 50 0 GGAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3ccco3)CC2)CC1 ZINC000015062488 570874833 /nfs/dbraw/zinc/87/48/33/570874833.db2.gz KVUQPGCZQJZWNN-UHFFFAOYSA-N 1 0 396.535 3.123 50 0 GGAARO Cc1cccc(-n2cc(C[NH2+]C[C@@H]3COCCO3)c(-c3cccc(F)c3)n2)c1 ZINC000015064435 570875025 /nfs/dbraw/zinc/87/50/25/570875025.db2.gz YROAKTBVIPIJJV-OAQYLSRUSA-N 1 0 381.451 3.492 50 0 GGAARO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000015065759 570875573 /nfs/dbraw/zinc/87/55/73/570875573.db2.gz QTDRPTJEGMNKJO-OAQYLSRUSA-N 1 0 394.515 3.481 50 0 GGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)o1 ZINC000015065981 570875740 /nfs/dbraw/zinc/87/57/40/570875740.db2.gz NKRLOUMIVXPOIS-KRWDZBQOSA-N 1 0 399.516 3.327 50 0 GGAARO Cn1cc(C[NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1 ZINC000015068809 570876155 /nfs/dbraw/zinc/87/61/55/570876155.db2.gz IUWVGHSIRXUIBE-UHFFFAOYSA-N 1 0 392.507 3.025 50 0 GGAARO O=C(C1CCOCC1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000015067586 570876168 /nfs/dbraw/zinc/87/61/68/570876168.db2.gz PYEYMFVKYSHOIS-GOSISDBHSA-N 1 0 392.490 3.452 50 0 GGAARO O=C(NC1CC1)C1CC[NH+](C2CCN(Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000015069992 570876654 /nfs/dbraw/zinc/87/66/54/570876654.db2.gz YGRZAXNTDYLPSX-UHFFFAOYSA-N 1 0 380.536 3.123 50 0 GGAARO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000015070164 570876979 /nfs/dbraw/zinc/87/69/79/570876979.db2.gz ZMQNUSPRLQKMLY-QGZVFWFLSA-N 1 0 384.524 3.281 50 0 GGAARO COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1N1CCC[C@H](O)C1 ZINC000015075985 570878826 /nfs/dbraw/zinc/87/88/26/570878826.db2.gz GDEJWHLQGIDIAM-IBGZPJMESA-N 1 0 377.488 3.494 50 0 GGAARO COc1cc(C[C@@H]2CC(C[NH2+]Cc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081579 570879314 /nfs/dbraw/zinc/87/93/14/570879314.db2.gz FUGKVMFHVXQSHY-GOSISDBHSA-N 1 0 398.459 3.218 50 0 GGAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000015079408 570879557 /nfs/dbraw/zinc/87/95/57/570879557.db2.gz JJAZEEOKHQVQRH-OAQYLSRUSA-N 1 0 391.515 3.250 50 0 GGAARO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000015319059 570889366 /nfs/dbraw/zinc/88/93/66/570889366.db2.gz YHOMBZDWEQPAKY-OXQOHEQNSA-N 1 0 385.508 3.349 50 0 GGAARO COc1cc(OC)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000015582587 570898001 /nfs/dbraw/zinc/89/80/01/570898001.db2.gz MSVCBEMWODPUGG-UHFFFAOYSA-N 1 0 384.476 3.107 50 0 GGAARO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000107349688 570899402 /nfs/dbraw/zinc/89/94/02/570899402.db2.gz BXIHDSGTNAGLAG-CZYKHXBRSA-N 1 0 393.616 3.091 50 0 GGAARO COCCn1ccc2c1cccc2OCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000263584834 570900766 /nfs/dbraw/zinc/90/07/66/570900766.db2.gz BJDZGNCXPZMCSH-AZUAARDMSA-N 1 0 399.535 3.047 50 0 biogenic GGAARO C[C@@H](NC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000534579080 570902612 /nfs/dbraw/zinc/90/26/12/570902612.db2.gz UBFKRVFZBAEMNF-QGZVFWFLSA-N 1 0 382.508 3.229 50 0 GGAARO O=C(NCCCC[NH+]1CCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000534584989 570903916 /nfs/dbraw/zinc/90/39/16/570903916.db2.gz ZLGZJDFEEKNFQK-UHFFFAOYSA-N 1 0 379.932 3.209 50 0 GGAARO C[C@@H](NC(=O)N1CCN(c2cccc3ccccc32)CC1)C1CC[NH+](C)CC1 ZINC000534585480 570904529 /nfs/dbraw/zinc/90/45/29/570904529.db2.gz WOKAVWZVKRNARD-GOSISDBHSA-N 1 0 380.536 3.402 50 0 GGAARO CC(=O)N1CCCN(C(=O)c2cccc(-c3cccc4c(N)cc[nH+]c43)c2)CC1 ZINC000534590932 570906501 /nfs/dbraw/zinc/90/65/01/570906501.db2.gz CBFZOJLRERQYQY-UHFFFAOYSA-N 1 0 388.471 3.009 50 0 GGAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000023115030 570908226 /nfs/dbraw/zinc/90/82/26/570908226.db2.gz ITWHFZUUHXUVHG-MHXGMRQZSA-N 1 0 384.564 3.403 50 0 GGAARO COc1ccc(NC(=O)[C@@H]2C[C@H](C)[NH2+][C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000015972545 570910187 /nfs/dbraw/zinc/91/01/87/570910187.db2.gz IDUXNWJPOZVGBU-UYHHGJEOSA-N 1 0 385.851 3.133 50 0 GGAARO C[C@H](CCNC(=O)N(Cc1ccccc1Cl)C1CC1)[NH+]1CCN(C)CC1 ZINC000534646042 570911288 /nfs/dbraw/zinc/91/12/88/570911288.db2.gz GXTHFLFUISLQQY-MRXNPFEDSA-N 1 0 378.948 3.040 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000023127718 570912844 /nfs/dbraw/zinc/91/28/44/570912844.db2.gz SECZYHXJQHSZKV-UHFFFAOYSA-N 1 0 398.525 3.086 50 0 GGAARO O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc2c(c1)CCCC2 ZINC000023127682 570913037 /nfs/dbraw/zinc/91/30/37/570913037.db2.gz HBKXZFHNDVFSHL-UHFFFAOYSA-N 1 0 388.533 3.349 50 0 GGAARO CCCN(Cc1ccc(Cl)cc1)C(=O)NC[C@H](CC)N1CC[NH+](C)CC1 ZINC000534640064 570913198 /nfs/dbraw/zinc/91/31/98/570913198.db2.gz GKPQJHAAKMFUED-IBGZPJMESA-N 1 0 380.964 3.288 50 0 GGAARO Cc1cc(C)nc(CNC(=O)c2ccc(-c3ccc(C[NH+](C)C)cn3)cc2)n1 ZINC000534649967 570913684 /nfs/dbraw/zinc/91/36/84/570913684.db2.gz QVKRRYIFFQQADE-UHFFFAOYSA-N 1 0 375.476 3.147 50 0 GGAARO CN(C(=O)NCC1([NH+]2CCN(C)CC2)CCCC1)[C@H]1CCCc2ccccc21 ZINC000534652358 570914787 /nfs/dbraw/zinc/91/47/87/570914787.db2.gz AHLYQJRYKYRJKL-NRFANRHFSA-N 1 0 384.568 3.266 50 0 GGAARO CCN(CCn1cccn1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534656897 570916071 /nfs/dbraw/zinc/91/60/71/570916071.db2.gz RMADHTFTYWRYHF-LJQANCHMSA-N 1 0 389.931 3.405 50 0 GGAARO Cc1ccsc1[C@H](CNC(=O)N(Cc1c(C)nn(C)c1C)C1CC1)[NH+](C)C ZINC000534671734 570920713 /nfs/dbraw/zinc/92/07/13/570920713.db2.gz AFKNBNBFRPAGLP-SFHVURJKSA-N 1 0 389.569 3.384 50 0 GGAARO COc1ccc2oc(CNC(=O)N(CC[NH+](C)C)Cc3ccsc3)nc2c1 ZINC000534661917 570922231 /nfs/dbraw/zinc/92/22/31/570922231.db2.gz HICOMHVQZOOLRC-UHFFFAOYSA-N 1 0 388.493 3.171 50 0 GGAARO Cc1cccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000017122570 570941849 /nfs/dbraw/zinc/94/18/49/570941849.db2.gz CBHLFJWPRJMIIE-UHFFFAOYSA-N 1 0 379.508 3.046 50 0 GGAARO O=C1C[C@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000018220170 570951755 /nfs/dbraw/zinc/95/17/55/570951755.db2.gz QCCAYZMMKBKNEH-NRFANRHFSA-N 1 0 380.463 3.375 50 0 GGAARO CCOc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccc(C)cc23)C1=O ZINC000018244400 570952090 /nfs/dbraw/zinc/95/20/90/570952090.db2.gz VJYQJIFOEVYULM-IBGZPJMESA-N 1 0 391.471 3.339 50 0 GGAARO COc1cccc(-c2cc3n(n2)[C@@H]([NH2+]CCc2ccc(Cl)cc2)CNC3=O)c1 ZINC000263617414 570954602 /nfs/dbraw/zinc/95/46/02/570954602.db2.gz NRBVVNWSFICGAG-HXUWFJFHSA-N 1 0 396.878 3.286 50 0 GGAARO COc1cccc(-c2cc3n(n2)[C@H]([NH2+]C[C@H](C)c2ccccc2)CNC3=O)c1 ZINC000263617188 570954624 /nfs/dbraw/zinc/95/46/24/570954624.db2.gz MOQNHOULTBHYNQ-BTYIYWSLSA-N 1 0 376.460 3.194 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2c(F)ccc(F)c2F)C[C@@H]1CCO ZINC000020601036 570961580 /nfs/dbraw/zinc/96/15/80/570961580.db2.gz OTZFYUUARQWEAV-KRWDZBQOSA-N 1 0 378.438 3.481 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222315 570963429 /nfs/dbraw/zinc/96/34/29/570963429.db2.gz WOCKBVHYUTUALB-QGZVFWFLSA-N 1 0 375.944 3.295 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222319 570963500 /nfs/dbraw/zinc/96/35/00/570963500.db2.gz WOCKBVHYUTUALB-KRWDZBQOSA-N 1 0 375.944 3.295 50 0 GGAARO CN(C(=O)Cc1ccc2c(c1)CCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000195399537 570964349 /nfs/dbraw/zinc/96/43/49/570964349.db2.gz OUPCAFKFFYPQNL-UHFFFAOYSA-N 1 0 377.532 3.278 50 0 GGAARO CC[NH+](CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2c(cccc2F)s1 ZINC000012229244 570972353 /nfs/dbraw/zinc/97/23/53/570972353.db2.gz AHYKYFAQDHWYNW-UHFFFAOYSA-N 1 0 389.500 3.466 50 0 GGAARO COc1cc(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)cc(OC)c1OC ZINC000001390266 570977995 /nfs/dbraw/zinc/97/79/95/570977995.db2.gz MDRZBFNKPZFCGE-UHFFFAOYSA-N 1 0 382.464 3.008 50 0 GGAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)C(=O)Nc1ccccc1Cl ZINC000252507916 570978490 /nfs/dbraw/zinc/97/84/90/570978490.db2.gz WWUJNVUWSYWOIR-UHFFFAOYSA-N 1 0 395.956 3.002 50 0 GGAARO COc1cccc(C(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)c1OC ZINC000023239868 570991229 /nfs/dbraw/zinc/99/12/29/570991229.db2.gz BRZGDNFLVLPNLU-IBGZPJMESA-N 1 0 381.476 3.228 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)C[C@@H]2CCO)cc(OC)c1 ZINC000019535741 570999447 /nfs/dbraw/zinc/99/94/47/570999447.db2.gz YONFSNZFIVMVDK-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3oc(C)cc3c1)CC2 ZINC000091254488 571001195 /nfs/dbraw/zinc/00/11/95/571001195.db2.gz AERODKYHYDXUEN-UHFFFAOYSA-N 1 0 378.476 3.474 50 0 GGAARO CS[C@@H](C)CC[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091255366 571001755 /nfs/dbraw/zinc/00/17/55/571001755.db2.gz HDSSEACTICIWGO-HNNXBMFYSA-N 1 0 376.570 3.027 50 0 GGAARO Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091270633 571002405 /nfs/dbraw/zinc/00/24/05/571002405.db2.gz CYRLBAWNSAQCGC-OAQYLSRUSA-N 1 0 384.549 3.294 50 0 GGAARO O=C(Cn1ccnc1-c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000091390672 571005852 /nfs/dbraw/zinc/00/58/52/571005852.db2.gz LXYZVLXYEWDSNQ-UHFFFAOYSA-N 1 0 380.517 3.346 50 0 GGAARO CC(C)c1nnsc1C[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091391478 571006099 /nfs/dbraw/zinc/00/60/99/571006099.db2.gz GVIBBCCOEWLALV-INIZCTEOSA-N 1 0 392.569 3.045 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCOc2ccccc2)CC3)cn1 ZINC000091410111 571006406 /nfs/dbraw/zinc/00/64/06/571006406.db2.gz OLXBAZRXAVCUER-UHFFFAOYSA-N 1 0 394.519 3.069 50 0 GGAARO C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C[C@@H]1CO ZINC000091416742 571006560 /nfs/dbraw/zinc/00/65/60/571006560.db2.gz OPBXLOPEOXFOTN-IAGOWNOFSA-N 1 0 378.944 3.170 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1scc3c1CCCC3)CC2 ZINC000091441468 571008168 /nfs/dbraw/zinc/00/81/68/571008168.db2.gz ZLVBBLQUKMRMED-UHFFFAOYSA-N 1 0 384.549 3.360 50 0 GGAARO Cc1ccc(Cc2ccccc2C(=O)N2C[C@H](CO)C[C@H](C[NH+](C)C)C2)cc1 ZINC000091468477 571009801 /nfs/dbraw/zinc/00/98/01/571009801.db2.gz TURJBSWRKLKEOB-NHCUHLMSSA-N 1 0 380.532 3.218 50 0 GGAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000091486355 571010833 /nfs/dbraw/zinc/01/08/33/571010833.db2.gz LGKBSNHYFRWXNO-UHFFFAOYSA-N 1 0 376.504 3.301 50 0 GGAARO COCCN(C)C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CO ZINC000091487000 571010981 /nfs/dbraw/zinc/01/09/81/571010981.db2.gz QKVPRESQNZDHCF-RTBURBONSA-N 1 0 382.504 3.205 50 0 GGAARO CCN1CC2(CC[NH+](Cc3cn(C)nc3C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091494077 571011674 /nfs/dbraw/zinc/01/16/74/571011674.db2.gz FNDUOGGICKEDCY-NRFANRHFSA-N 1 0 380.536 3.347 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC000091594065 571016386 /nfs/dbraw/zinc/01/63/86/571016386.db2.gz CKAZWJAEKSFKNC-HXUWFJFHSA-N 1 0 379.504 3.107 50 0 GGAARO Cc1c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)cnn1-c1ccccn1 ZINC000091637164 571020767 /nfs/dbraw/zinc/02/07/67/571020767.db2.gz YJHOPNGABNBGHD-HNNXBMFYSA-N 1 0 379.464 3.256 50 0 GGAARO COc1c(F)cc(CN2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)cc1Cl ZINC000091644065 571021416 /nfs/dbraw/zinc/02/14/16/571021416.db2.gz GIKZPKSBNDUIJK-UHFFFAOYSA-N 1 0 378.879 3.190 50 0 GGAARO COc1ccccc1C[NH+]1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 ZINC000091650751 571022457 /nfs/dbraw/zinc/02/24/57/571022457.db2.gz IKQAOAAUGJENPE-UHFFFAOYSA-N 1 0 394.519 3.198 50 0 GGAARO O=C(CCc1ccncc1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091657001 571023677 /nfs/dbraw/zinc/02/36/77/571023677.db2.gz NZSKKJVUVFPWFI-UHFFFAOYSA-N 1 0 381.524 3.066 50 0 GGAARO CCn1cc(C[NH+]2CCC3(CC(=O)N(CCCc4ccccc4)C3)CC2)cn1 ZINC000091679208 571025224 /nfs/dbraw/zinc/02/52/24/571025224.db2.gz SBTAMKJWWBGWDV-UHFFFAOYSA-N 1 0 380.536 3.350 50 0 GGAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000091680295 571025911 /nfs/dbraw/zinc/02/59/11/571025911.db2.gz YIDNCYCLFKCICR-UHFFFAOYSA-N 1 0 376.508 3.169 50 0 GGAARO CN1CCC([NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)CC1 ZINC000091713567 571027456 /nfs/dbraw/zinc/02/74/56/571027456.db2.gz AXMSZAALQKVNTJ-QFIPXVFZSA-N 1 0 381.564 3.341 50 0 GGAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000091724427 571027992 /nfs/dbraw/zinc/02/79/92/571027992.db2.gz NNNFQYLGULSWQF-UHFFFAOYSA-N 1 0 380.536 3.493 50 0 GGAARO O=C(CCC[NH+]1CCCC1)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091726125 571028369 /nfs/dbraw/zinc/02/83/69/571028369.db2.gz QZIDVTQFLNADEO-UHFFFAOYSA-N 1 0 397.563 3.294 50 0 GGAARO Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000091746639 571029224 /nfs/dbraw/zinc/02/92/24/571029224.db2.gz KQOXGACOROFFKB-HSZRJFAPSA-N 1 0 386.536 3.045 50 0 GGAARO CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091746970 571029316 /nfs/dbraw/zinc/02/93/16/571029316.db2.gz CRNADMMKJBEQCJ-ZWKOTPCHSA-N 1 0 384.549 3.270 50 0 GGAARO COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1 ZINC000091746840 571029328 /nfs/dbraw/zinc/02/93/28/571029328.db2.gz IEFPCFGRHMRKJO-VSAQJFMZSA-N 1 0 377.488 3.340 50 0 GGAARO c1coc(-c2ncc(-c3cn([C@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3)cn2)c1 ZINC000091770319 571030323 /nfs/dbraw/zinc/03/03/23/571030323.db2.gz APAGCYPJWNFHSF-SFHVURJKSA-N 1 0 387.447 3.227 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)C1 ZINC000091820163 571032278 /nfs/dbraw/zinc/03/22/78/571032278.db2.gz LBSFZAIKBLSBOX-LJQANCHMSA-N 1 0 379.504 3.107 50 0 GGAARO O=C(c1ccc(OC(F)F)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091830540 571032282 /nfs/dbraw/zinc/03/22/82/571032282.db2.gz ILKFTZOMVMQGBA-FUHWJXTLSA-N 1 0 387.430 3.420 50 0 GGAARO COc1cccc(OC)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091848951 571033158 /nfs/dbraw/zinc/03/31/58/571033158.db2.gz HVDDVEQLWPNLHI-RBUKOAKNSA-N 1 0 380.488 3.327 50 0 GGAARO Cc1cc(C)c2[nH]c(C[N@@H+]3CCCN(Cc4cccnc4)CC3)cc(=O)c2c1 ZINC000091873194 571034695 /nfs/dbraw/zinc/03/46/95/571034695.db2.gz GRUISCJWKTXEKN-UHFFFAOYSA-N 1 0 376.504 3.248 50 0 GGAARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](CCOc1ccccc1)CC2 ZINC000091908133 571035720 /nfs/dbraw/zinc/03/57/20/571035720.db2.gz YKAHXLRAYDPTRH-UHFFFAOYSA-N 1 0 383.492 3.185 50 0 GGAARO Nc1ncccc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091973868 571038481 /nfs/dbraw/zinc/03/84/81/571038481.db2.gz HLSJHJMWHBIXEA-OAQYLSRUSA-N 1 0 390.531 3.425 50 0 GGAARO Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H]([NH3+])[C@@H](c4ccc(C)o4)C3)c2)n1 ZINC000092028192 571041494 /nfs/dbraw/zinc/04/14/94/571041494.db2.gz MTHHLQZREVRULF-PMACEKPBSA-N 1 0 378.476 3.017 50 0 GGAARO Cc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)cc1O ZINC000092046061 571042373 /nfs/dbraw/zinc/04/23/73/571042373.db2.gz QFLYDKUJMHLJHV-UHFFFAOYSA-N 1 0 382.508 3.069 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)Cc3cccs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095352869 571050450 /nfs/dbraw/zinc/05/04/50/571050450.db2.gz LEAHRAHBKQAVQG-KSEOMHKRSA-N 1 0 382.529 3.388 50 0 GGAARO COCCN(Cc1ccc(OC)cc1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095352697 571050464 /nfs/dbraw/zinc/05/04/64/571050464.db2.gz HVTNRDQXMHDPSZ-OAQYLSRUSA-N 1 0 382.504 3.451 50 0 GGAARO CCn1nc(C)c(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000095353523 571050871 /nfs/dbraw/zinc/05/08/71/571050871.db2.gz HXOQCSFDOJSPBL-YTFSRNRJSA-N 1 0 380.536 3.288 50 0 GGAARO Cc1ccccc1[C@@]1(O)CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000095353749 571051029 /nfs/dbraw/zinc/05/10/29/571051029.db2.gz GLTGTUMYNGLASX-XMMPIXPASA-N 1 0 378.516 3.295 50 0 GGAARO COCc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000095354052 571051046 /nfs/dbraw/zinc/05/10/46/571051046.db2.gz LYJBXKLZNKGGSE-FXAWDEMLSA-N 1 0 383.467 3.104 50 0 GGAARO Cc1nc2ccc(C(=O)N3CCC(c4nccn4CCC[NH+](C)C)CC3)cc2o1 ZINC000095353458 571051068 /nfs/dbraw/zinc/05/10/68/571051068.db2.gz JYZGMUDOZDOFHK-UHFFFAOYSA-N 1 0 395.507 3.304 50 0 GGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000095354475 571051658 /nfs/dbraw/zinc/05/16/58/571051658.db2.gz HPPUUEICZZBTSY-UHFFFAOYSA-N 1 0 376.451 3.133 50 0 GGAARO COc1cccc(F)c1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095355977 571052041 /nfs/dbraw/zinc/05/20/41/571052041.db2.gz SMJQACKCXHBNKE-UHFFFAOYSA-N 1 0 388.487 3.002 50 0 GGAARO Cc1ccc([C@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095356573 571052396 /nfs/dbraw/zinc/05/23/96/571052396.db2.gz DQMDARVJJOWPTJ-STZQEDGTSA-N 1 0 376.504 3.298 50 0 GGAARO CC(C)n1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095356717 571052454 /nfs/dbraw/zinc/05/24/54/571052454.db2.gz NEQDGMSPTJMGKP-PWRODBHTSA-N 1 0 382.483 3.306 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)CSCC3CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095358556 571053903 /nfs/dbraw/zinc/05/39/03/571053903.db2.gz DOZNRKUIFCZVCJ-KSEOMHKRSA-N 1 0 386.561 3.227 50 0 GGAARO OCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cc1 ZINC000095359604 571054169 /nfs/dbraw/zinc/05/41/69/571054169.db2.gz QEXVPWOPIPCKOP-RBBKRZOGSA-N 1 0 384.495 3.293 50 0 GGAARO C[C@H](C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000095359412 571054224 /nfs/dbraw/zinc/05/42/24/571054224.db2.gz FIYJUAPOQZGBDZ-MRXNPFEDSA-N 1 0 394.519 3.175 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000095359165 571054232 /nfs/dbraw/zinc/05/42/32/571054232.db2.gz MVCSTMJDFJLRQP-SFHVURJKSA-N 1 0 377.492 3.013 50 0 GGAARO COCCN1CCC[C@]2(CC[N@H+](Cc3cc(-c4ccc(C)cc4)no3)C2)C1=O ZINC000095361492 571055548 /nfs/dbraw/zinc/05/55/48/571055548.db2.gz ZFZHCZLKKUTNAP-JOCHJYFZSA-N 1 0 383.492 3.111 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000095361962 571055963 /nfs/dbraw/zinc/05/59/63/571055963.db2.gz PKVPCKYVRSVMMT-LJQANCHMSA-N 1 0 377.492 3.013 50 0 GGAARO O=C(c1cc(-c2ccccc2O)n[nH]1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095361984 571055967 /nfs/dbraw/zinc/05/59/67/571055967.db2.gz FFLLGMJHAHZORF-IAGOWNOFSA-N 1 0 380.492 3.119 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000095362082 571056089 /nfs/dbraw/zinc/05/60/89/571056089.db2.gz JUAHIWPEDYLZSQ-CQSZACIVSA-N 1 0 378.879 3.257 50 0 GGAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2c[nH]nc2-c2ccccc2)C1 ZINC000095362601 571056327 /nfs/dbraw/zinc/05/63/27/571056327.db2.gz CVBOZLHIEIXYCD-YLJYHZDGSA-N 1 0 387.487 3.208 50 0 GGAARO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095367138 571058956 /nfs/dbraw/zinc/05/89/56/571058956.db2.gz SWLRQMWDNUBYRS-VLCRHTCISA-N 1 0 394.446 3.257 50 0 GGAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095367083 571059003 /nfs/dbraw/zinc/05/90/03/571059003.db2.gz FGNFZCWNEXBRBI-LJQANCHMSA-N 1 0 376.460 3.476 50 0 GGAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095367084 571059064 /nfs/dbraw/zinc/05/90/64/571059064.db2.gz FGNFZCWNEXBRBI-IBGZPJMESA-N 1 0 376.460 3.476 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000095368998 571059829 /nfs/dbraw/zinc/05/98/29/571059829.db2.gz LRINSXUXQCFRSZ-HNNXBMFYSA-N 1 0 376.451 3.133 50 0 GGAARO CCCN1CCC([N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000095369637 571060334 /nfs/dbraw/zinc/06/03/34/571060334.db2.gz AOTVWDBMGJVQHU-TUACAJSNSA-N 1 0 397.563 3.152 50 0 GGAARO Cc1nc(C)c(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)s1 ZINC000095370878 571060841 /nfs/dbraw/zinc/06/08/41/571060841.db2.gz AFVBOCTYWLLYLT-IPMKNSEASA-N 1 0 383.517 3.168 50 0 GGAARO CCNc1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cn1 ZINC000095370723 571060896 /nfs/dbraw/zinc/06/08/96/571060896.db2.gz DYRGSZATBRECAF-RBBKRZOGSA-N 1 0 379.552 3.437 50 0 GGAARO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cc(F)ccc3-n3cccn3)C2)N1CC1CCC1 ZINC000095372101 571061675 /nfs/dbraw/zinc/06/16/75/571061675.db2.gz POEOBBKSAHYUAQ-FXAWDEMLSA-N 1 0 382.483 3.234 50 0 GGAARO CC(C)n1ccnc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095372082 571061936 /nfs/dbraw/zinc/06/19/36/571061936.db2.gz YTGDEJXHLPSYHF-CDNPAEQRSA-N 1 0 394.519 3.255 50 0 GGAARO Cc1cc(C(F)(F)F)nc(CNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)n1 ZINC000095375159 571063750 /nfs/dbraw/zinc/06/37/50/571063750.db2.gz ISPWJUJNLLUVBK-HNNXBMFYSA-N 1 0 378.398 3.201 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cccc(C)c3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095374997 571063791 /nfs/dbraw/zinc/06/37/91/571063791.db2.gz MVHBLCFWXOPLFP-BHDDXSALSA-N 1 0 392.499 3.412 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc4ncsc4c3)C[C@H]2[NH+](C)C)cc1 ZINC000095374954 571063855 /nfs/dbraw/zinc/06/38/55/571063855.db2.gz OXPNNXZRZVSSAT-PKOBYXMFSA-N 1 0 381.501 3.475 50 0 GGAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc4nonc43)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095375925 571064232 /nfs/dbraw/zinc/06/42/32/571064232.db2.gz AMZFKGKPUGRILJ-WWPVKYPJSA-N 1 0 390.487 3.294 50 0 GGAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095375442 571064239 /nfs/dbraw/zinc/06/42/39/571064239.db2.gz SZHXLZOCNZRJKQ-TUACAJSNSA-N 1 0 392.499 3.486 50 0 GGAARO CC(=O)c1ccc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)s1 ZINC000095375417 571064365 /nfs/dbraw/zinc/06/43/65/571064365.db2.gz HNMMQSWGSDBLDD-UHFFFAOYSA-N 1 0 388.537 3.119 50 0 GGAARO O=C(CC1CCCC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095376189 571064593 /nfs/dbraw/zinc/06/45/93/571064593.db2.gz CDMSZVMZHGMCGV-CDNPAEQRSA-N 1 0 382.504 3.384 50 0 GGAARO O=C(c1cnccn1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095376286 571064852 /nfs/dbraw/zinc/06/48/52/571064852.db2.gz IQUAJCIFGXOARY-IBGZPJMESA-N 1 0 376.504 3.351 50 0 GGAARO O=C(c1ccc2nccnc2c1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095377231 571065017 /nfs/dbraw/zinc/06/50/17/571065017.db2.gz OHLZSCFDABZEKD-WWPVKYPJSA-N 1 0 384.483 3.332 50 0 GGAARO CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095377742 571065231 /nfs/dbraw/zinc/06/52/31/571065231.db2.gz RBFNMGUWCRCNDR-LJQANCHMSA-N 1 0 384.524 3.252 50 0 GGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(Cn4cccn4)cc3)C2)N1CC1CCC1 ZINC000095378445 571065588 /nfs/dbraw/zinc/06/55/88/571065588.db2.gz IOVZYOBYSJZQIK-FCHUYYIVSA-N 1 0 378.520 3.154 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc(-c2cccnc2)nc1 ZINC000095378188 571065649 /nfs/dbraw/zinc/06/56/49/571065649.db2.gz AYWCGSXRTILTAB-IBGZPJMESA-N 1 0 387.487 3.181 50 0 GGAARO c1nc(N2CCCC2)sc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095380681 571067184 /nfs/dbraw/zinc/06/71/84/571067184.db2.gz MWBGMXKYTGAPTK-PKOBYXMFSA-N 1 0 383.565 3.235 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000095382038 571068276 /nfs/dbraw/zinc/06/82/76/571068276.db2.gz CIUWFJQAQAZWOC-UHFFFAOYSA-N 1 0 399.510 3.365 50 0 GGAARO CSc1ncc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000095383140 571068560 /nfs/dbraw/zinc/06/85/60/571068560.db2.gz LDIDZSGDJMIZLB-OXQOHEQNSA-N 1 0 380.561 3.262 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000095383814 571069021 /nfs/dbraw/zinc/06/90/21/571069021.db2.gz KQVDNUARRBHDNB-NRFANRHFSA-N 1 0 383.492 3.094 50 0 GGAARO O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095384608 571069463 /nfs/dbraw/zinc/06/94/63/571069463.db2.gz CTQMWQXAGHACOU-FQEVSTJZSA-N 1 0 377.488 3.210 50 0 GGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 ZINC000095384154 571069480 /nfs/dbraw/zinc/06/94/80/571069480.db2.gz KXCKKCSMMJGCGA-VQIMIIECSA-N 1 0 376.928 3.331 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095385120 571069989 /nfs/dbraw/zinc/06/99/89/571069989.db2.gz NPYSMBXQVRLKOZ-MDNUFGMLSA-N 1 0 392.499 3.412 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095386280 571070398 /nfs/dbraw/zinc/07/03/98/571070398.db2.gz KOXYATVLMVPJPC-MDNUFGMLSA-N 1 0 392.499 3.412 50 0 GGAARO O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCN(Cc2ccccc2F)CC1 ZINC000095386186 571070411 /nfs/dbraw/zinc/07/04/11/571070411.db2.gz UQGUGASORMEPHV-FQEVSTJZSA-N 1 0 381.495 3.251 50 0 GGAARO CCCc1ccc(-c2ccc(C(=O)N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)cc2)cc1 ZINC000095386844 571070422 /nfs/dbraw/zinc/07/04/22/571070422.db2.gz MMFVJQSNWYGJOB-UPVQGACJSA-N 1 0 378.516 3.493 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 ZINC000095386703 571070427 /nfs/dbraw/zinc/07/04/27/571070427.db2.gz UOFKKFJLBNIIFH-SFHVURJKSA-N 1 0 377.492 3.013 50 0 GGAARO COCc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)ccc1OC ZINC000095387039 571070616 /nfs/dbraw/zinc/07/06/16/571070616.db2.gz XLIYWSHZSRTJLR-SIKLNZKXSA-N 1 0 381.520 3.333 50 0 GGAARO COc1ccc([C@@H]2CN(c3ccnc(SC)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095388325 571071087 /nfs/dbraw/zinc/07/10/87/571071087.db2.gz LITSINXVAXZHKO-DFQSSKMNSA-N 1 0 382.533 3.274 50 0 GGAARO O=C(CCN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)NCc1cccs1 ZINC000095388614 571071520 /nfs/dbraw/zinc/07/15/20/571071520.db2.gz FZTNAYXGAYFBGL-VQTJNVASSA-N 1 0 383.561 3.351 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3ncccc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095388657 571071559 /nfs/dbraw/zinc/07/15/59/571071559.db2.gz AUIDJXFXGKRTLO-CEMLEFRQSA-N 1 0 377.488 3.101 50 0 GGAARO CN(CCc1nc2ccccc2[nH]1)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095388508 571071775 /nfs/dbraw/zinc/07/17/75/571071775.db2.gz OZJXRMLEKLDJSM-UHFFFAOYSA-N 1 0 376.504 3.443 50 0 GGAARO Cc1nc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)n(C)n1 ZINC000095497258 571074414 /nfs/dbraw/zinc/07/44/14/571074414.db2.gz HZOFEVAHUZWKCT-GOSISDBHSA-N 1 0 375.948 3.163 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 ZINC000095496947 571074443 /nfs/dbraw/zinc/07/44/43/571074443.db2.gz UTHBGPYLMFXJLI-MRXNPFEDSA-N 1 0 390.478 3.062 50 0 GGAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000095496824 571074491 /nfs/dbraw/zinc/07/44/91/571074491.db2.gz VESLLYSMUZIMOD-IBGZPJMESA-N 1 0 393.466 3.435 50 0 GGAARO COc1ccccc1NC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095497278 571074546 /nfs/dbraw/zinc/07/45/46/571074546.db2.gz YQSMDRNNIZERJO-QGZVFWFLSA-N 1 0 385.512 3.255 50 0 GGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc3ccccc3[nH]1)CC2 ZINC000095499568 571075312 /nfs/dbraw/zinc/07/53/12/571075312.db2.gz IPEKQUJFOSOLPN-UHFFFAOYSA-N 1 0 377.492 3.291 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000095498712 571075332 /nfs/dbraw/zinc/07/53/32/571075332.db2.gz RFBXYILOLZHHAJ-GOSISDBHSA-N 1 0 379.508 3.336 50 0 GGAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cncn3C3CCCCC3)C2)no1 ZINC000095499499 571075344 /nfs/dbraw/zinc/07/53/44/571075344.db2.gz LJMVETVUVJKGJH-KRWDZBQOSA-N 1 0 385.512 3.327 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C(=O)Nc1ccccc1 ZINC000095499648 571075752 /nfs/dbraw/zinc/07/57/52/571075752.db2.gz ZWRWCNVJPMZWOT-SFHVURJKSA-N 1 0 397.494 3.177 50 0 GGAARO O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCC[NH+]1CCC(O)CC1 ZINC000095499661 571075897 /nfs/dbraw/zinc/07/58/97/571075897.db2.gz NESHISJEOCFVBP-NRFANRHFSA-N 1 0 386.923 3.435 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C(=O)Nc1ccccc1 ZINC000095499649 571076019 /nfs/dbraw/zinc/07/60/19/571076019.db2.gz ZWRWCNVJPMZWOT-GOSISDBHSA-N 1 0 397.494 3.177 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)NCc2ccco2)CC1 ZINC000095500991 571076200 /nfs/dbraw/zinc/07/62/00/571076200.db2.gz YRFLVSLFAPVEBW-UHFFFAOYSA-N 1 0 385.508 3.384 50 0 GGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000095500948 571076281 /nfs/dbraw/zinc/07/62/81/571076281.db2.gz UFJOKBCAEKXSEU-UHFFFAOYSA-N 1 0 378.879 3.257 50 0 GGAARO Cc1ccc(C2(C(=O)N3CCC[C@@H](c4nccn4CC[NH+](C)C)C3)CC2)cc1 ZINC000095500890 571076374 /nfs/dbraw/zinc/07/63/74/571076374.db2.gz LZGYMFWKFBIYKQ-LJQANCHMSA-N 1 0 380.536 3.191 50 0 GGAARO O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000095501138 571076388 /nfs/dbraw/zinc/07/63/88/571076388.db2.gz KVUJAFYOMLJHKQ-LJQANCHMSA-N 1 0 379.460 3.122 50 0 GGAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCc1noc(C2CCCC2)n1 ZINC000095502384 571076616 /nfs/dbraw/zinc/07/66/16/571076616.db2.gz RDYAMRVQPQDYSD-UHFFFAOYSA-N 1 0 382.508 3.266 50 0 GGAARO Cc1ccc(CNC(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095502248 571076741 /nfs/dbraw/zinc/07/67/41/571076741.db2.gz CFYYWBAPFCRXKC-HXUWFJFHSA-N 1 0 383.540 3.232 50 0 GGAARO Nc1ncccc1C[N@@H+]1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000095501493 571076753 /nfs/dbraw/zinc/07/67/53/571076753.db2.gz WDGRHHXISKHALB-OAHLLOKOSA-N 1 0 388.462 3.251 50 0 GGAARO C[C@@H](CNC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)Oc1cccnc1 ZINC000095502013 571076774 /nfs/dbraw/zinc/07/67/74/571076774.db2.gz LTYFZRLLILUHMR-INIZCTEOSA-N 1 0 384.480 3.144 50 0 GGAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000095503001 571077215 /nfs/dbraw/zinc/07/72/15/571077215.db2.gz ZVHZFESNPGPSBI-NRFANRHFSA-N 1 0 395.478 3.422 50 0 GGAARO COc1cc(CN2CCC(F)(F)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095504590 571077891 /nfs/dbraw/zinc/07/78/91/571077891.db2.gz HDUCKWAYGORIAE-KRWDZBQOSA-N 1 0 386.483 3.006 50 0 GGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](CCc2ccc(O)cc2)C1 ZINC000095504520 571077896 /nfs/dbraw/zinc/07/78/96/571077896.db2.gz ZWAGGPXTTCBZNB-IBGZPJMESA-N 1 0 390.487 3.471 50 0 GGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](CCc2ccc(O)cc2)C1 ZINC000095504519 571078100 /nfs/dbraw/zinc/07/81/00/571078100.db2.gz ZWAGGPXTTCBZNB-LJQANCHMSA-N 1 0 390.487 3.471 50 0 GGAARO CCc1ncc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cn1 ZINC000095504677 571078215 /nfs/dbraw/zinc/07/82/15/571078215.db2.gz UJQVCDORKFGBJP-GOSISDBHSA-N 1 0 396.535 3.074 50 0 GGAARO C[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(Cc4ccccc4)c3)C2)CC1 ZINC000095506559 571078863 /nfs/dbraw/zinc/07/88/63/571078863.db2.gz AANCCIGYNWNIJV-QFIPXVFZSA-N 1 0 378.520 3.131 50 0 GGAARO COCc1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cn1 ZINC000095507061 571079275 /nfs/dbraw/zinc/07/92/75/571079275.db2.gz XIFPTTHXRLNWQY-RBBKRZOGSA-N 1 0 380.536 3.152 50 0 GGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C(C)C)on1)CC2 ZINC000095507386 571079559 /nfs/dbraw/zinc/07/95/59/571079559.db2.gz XUHJHIHZECFQJB-UHFFFAOYSA-N 1 0 385.512 3.167 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cnc(C)nc2C)CC1 ZINC000095510298 571081548 /nfs/dbraw/zinc/08/15/48/571081548.db2.gz YUXKHUTWUFIGBZ-UHFFFAOYSA-N 1 0 396.535 3.129 50 0 GGAARO COc1ccc(C(=O)NCc2ccccn2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095510050 571081644 /nfs/dbraw/zinc/08/16/44/571081644.db2.gz PVFWWOFNDKMFNZ-UHFFFAOYSA-N 1 0 383.492 3.272 50 0 GGAARO COc1ccc(C(=O)N2CCC(OC)CC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095511218 571081954 /nfs/dbraw/zinc/08/19/54/571081954.db2.gz KJRQGCJCSZDLMI-UHFFFAOYSA-N 1 0 390.524 3.198 50 0 GGAARO O=C(NCCCO)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095511564 571082420 /nfs/dbraw/zinc/08/24/20/571082420.db2.gz TUHNXEURDMEKHP-UHFFFAOYSA-N 1 0 380.916 3.238 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC000095511418 571082498 /nfs/dbraw/zinc/08/24/98/571082498.db2.gz LMGHSBWQCYZBEK-OAHLLOKOSA-N 1 0 376.451 3.133 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)o1 ZINC000095515345 571083368 /nfs/dbraw/zinc/08/33/68/571083368.db2.gz HCXRMOPRAVKVNI-LJQANCHMSA-N 1 0 388.508 3.134 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1 ZINC000095512999 571083445 /nfs/dbraw/zinc/08/34/45/571083445.db2.gz VCDXKCAHHFKKPX-GOSISDBHSA-N 1 0 387.503 3.063 50 0 GGAARO CN(C)c1ccc(C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000095515115 571083499 /nfs/dbraw/zinc/08/34/99/571083499.db2.gz QYHDJEYFZQZYGA-UHFFFAOYSA-N 1 0 398.526 3.313 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCO)CC1 ZINC000095515463 571083805 /nfs/dbraw/zinc/08/38/05/571083805.db2.gz YJIHDQQNDBLRKO-UHFFFAOYSA-N 1 0 381.520 3.013 50 0 GGAARO O=C(c1ncc[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095517762 571084778 /nfs/dbraw/zinc/08/47/78/571084778.db2.gz OTJBVYYGTSJDAU-IBGZPJMESA-N 1 0 381.524 3.492 50 0 GGAARO CC(C)[C@@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1NS(C)(=O)=O ZINC000095518208 571085225 /nfs/dbraw/zinc/08/52/25/571085225.db2.gz UWJDDMAXRHDFSE-FCHUYYIVSA-N 1 0 384.545 3.263 50 0 GGAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cnn(CCC)c1C)CC2 ZINC000095518638 571085596 /nfs/dbraw/zinc/08/55/96/571085596.db2.gz ZPTFOCVXSUSDGJ-UHFFFAOYSA-N 1 0 384.572 3.474 50 0 GGAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c(=O)[nH]c1C ZINC000095518531 571085674 /nfs/dbraw/zinc/08/56/74/571085674.db2.gz YZUIFOBDQDYQTN-LEWJYISDSA-N 1 0 393.531 3.161 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc[nH]n2)CC1 ZINC000095519546 571085970 /nfs/dbraw/zinc/08/59/70/571085970.db2.gz BXPMGOILPVFOHF-OAQYLSRUSA-N 1 0 396.535 3.252 50 0 GGAARO CCc1ncc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)cn1 ZINC000095520877 571087093 /nfs/dbraw/zinc/08/70/93/571087093.db2.gz PUJNOWRSDRWMRS-UHFFFAOYSA-N 1 0 384.499 3.205 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000095521960 571087454 /nfs/dbraw/zinc/08/74/54/571087454.db2.gz PBZVDKBZWLASJK-LJQANCHMSA-N 1 0 379.508 3.336 50 0 GGAARO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000095521866 571087500 /nfs/dbraw/zinc/08/75/00/571087500.db2.gz HYTSOZBEBYZGNP-HNNXBMFYSA-N 1 0 391.903 3.071 50 0 GGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CCCn1ccnc1)CC2 ZINC000095522674 571088248 /nfs/dbraw/zinc/08/82/48/571088248.db2.gz RTESTQWEURCKLU-UHFFFAOYSA-N 1 0 388.462 3.066 50 0 GGAARO COc1ccc2c(c1)OC[C@@H](C(=O)NC1CC[NH+](Cc3cccs3)CC1)C2 ZINC000095522789 571088343 /nfs/dbraw/zinc/08/83/43/571088343.db2.gz MYFCCQXWDYOZEG-INIZCTEOSA-N 1 0 386.517 3.089 50 0 GGAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC3(CC1)c1nc[nH]c1CCN3C(=O)C1CC1)=CC2 ZINC000095523210 571088656 /nfs/dbraw/zinc/08/86/56/571088656.db2.gz GDVBUKOQLQRCLP-OALUTQOASA-N 1 0 394.563 3.488 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@@H]1CCOC1 ZINC000095524862 571090071 /nfs/dbraw/zinc/09/00/71/571090071.db2.gz HFZHISYVSLOHNK-GOSISDBHSA-N 1 0 398.469 3.455 50 0 GGAARO O=C(Nc1ccnn1CC1CC1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000095525313 571090179 /nfs/dbraw/zinc/09/01/79/571090179.db2.gz OOCNZSIDSARROQ-HXUWFJFHSA-N 1 0 379.508 3.000 50 0 GGAARO Cc1cc(C)n(C)c(=O)c1C(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000095527976 571091575 /nfs/dbraw/zinc/09/15/75/571091575.db2.gz RTOOKZVBGXKZQZ-OAQYLSRUSA-N 1 0 395.547 3.029 50 0 GGAARO O=C(NCc1ccno1)c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000095528260 571092011 /nfs/dbraw/zinc/09/20/11/571092011.db2.gz KVUUFJSCEZTRIV-UHFFFAOYSA-N 1 0 392.459 3.043 50 0 GGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)Cc3cncs3)CC2)cc1 ZINC000095529252 571092423 /nfs/dbraw/zinc/09/24/23/571092423.db2.gz OPZBDUATQHVZRQ-UHFFFAOYSA-N 1 0 387.549 3.107 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccnc3ccccc32)C1 ZINC000095529052 571092480 /nfs/dbraw/zinc/09/24/80/571092480.db2.gz HQQLUNUPIOHHJP-KRWDZBQOSA-N 1 0 377.492 3.013 50 0 GGAARO CC(=O)c1cccc(-c2ccc(NC(=O)N3C[C@H]([NH+](C)C)C[C@H]3CO)cc2)c1 ZINC000095530878 571092897 /nfs/dbraw/zinc/09/28/97/571092897.db2.gz WVQLGOJQVKCJLA-RTWAWAEBSA-N 1 0 381.476 3.085 50 0 GGAARO Cc1nc(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cs1 ZINC000055281529 1406919611 /nfs/dbraw/zinc/91/96/11/1406919611.db2.gz CNGBLCSMPCDEGI-HXUWFJFHSA-N 1 0 398.576 3.116 50 0 GGAARO CC[C@@H]1C[C@@H]2C[N@@H+]3CCc4c5cc(OC)c(OC)cc5[nH]c4[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000002020036 1398305031 /nfs/dbraw/zinc/30/50/31/1398305031.db2.gz DUFLXLVGASPEMV-LWUUPINRSA-N 1 0 398.503 3.272 50 0 biogenic GGAARO Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)OCC[NH+](C)C)c2ccccc21 ZINC000002249470 1398305445 /nfs/dbraw/zinc/30/54/45/1398305445.db2.gz QZKRJVWRUINNFX-HKWRFOASSA-N 1 0 391.471 3.054 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000002322079 1398306986 /nfs/dbraw/zinc/30/69/86/1398306986.db2.gz SKJQTRMXXCBOKD-AWEZNQCLSA-N 1 0 387.480 3.414 50 0 GGAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000002369428 1398309087 /nfs/dbraw/zinc/30/90/87/1398309087.db2.gz XVPLCZRUAQPDIG-UHFFFAOYSA-N 1 0 394.500 3.311 50 0 GGAARO COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002414405 1398310107 /nfs/dbraw/zinc/31/01/07/1398310107.db2.gz LZAFBLOEGPJHRF-HXUWFJFHSA-N 1 0 392.455 3.299 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000002415688 1398310423 /nfs/dbraw/zinc/31/04/23/1398310423.db2.gz DSHKQEVITGIHMX-IBGZPJMESA-N 1 0 380.419 3.429 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000002415689 1398310801 /nfs/dbraw/zinc/31/08/01/1398310801.db2.gz DSHKQEVITGIHMX-LJQANCHMSA-N 1 0 380.419 3.429 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc2c(c1)OCO2 ZINC000002781835 1398318531 /nfs/dbraw/zinc/31/85/31/1398318531.db2.gz NLFPEXBMQNCAEZ-UHFFFAOYSA-N 1 0 380.448 3.359 50 0 GGAARO Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)NCCCn1ccnc1 ZINC000002802951 1398319361 /nfs/dbraw/zinc/31/93/61/1398319361.db2.gz DNIPQQYQSLGBBA-UHFFFAOYSA-N 1 0 382.537 3.430 50 0 GGAARO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)N1CCOCC1 ZINC000002828219 1398320321 /nfs/dbraw/zinc/32/03/21/1398320321.db2.gz VMPGUKQMXWXUHW-UHFFFAOYSA-N 1 0 394.515 3.336 50 0 GGAARO O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864249 1398847787 /nfs/dbraw/zinc/84/77/87/1398847787.db2.gz QLRWMEVGWHYVHC-SFHVURJKSA-N 1 0 375.538 3.008 50 0 GGAARO O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893201 1398848933 /nfs/dbraw/zinc/84/89/33/1398848933.db2.gz YUEVBVHIZKXSLM-KRWDZBQOSA-N 1 0 391.562 3.159 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(F)c1)c1cccc2ccccc21 ZINC000010333645 1398886716 /nfs/dbraw/zinc/88/67/16/1398886716.db2.gz NALYCQQFAJANAL-HXUWFJFHSA-N 1 0 379.435 3.337 50 0 GGAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc2n1 ZINC000010332726 1398886731 /nfs/dbraw/zinc/88/67/31/1398886731.db2.gz VTIGYLPWJHPCFY-FQEVSTJZSA-N 1 0 394.450 3.040 50 0 GGAARO COc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010333703 1398886792 /nfs/dbraw/zinc/88/67/92/1398886792.db2.gz ZKRHKYUIQAXZCH-OAQYLSRUSA-N 1 0 391.471 3.206 50 0 GGAARO CN(C(=O)c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011661484 1399003247 /nfs/dbraw/zinc/00/32/47/1399003247.db2.gz DGTXKMLNKBGYOO-IBGZPJMESA-N 1 0 378.472 3.119 50 0 GGAARO O=C(CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1)NC1CC1 ZINC000011701738 1399006004 /nfs/dbraw/zinc/00/60/04/1399006004.db2.gz ZEXJIMJMAJRBOD-JOCHJYFZSA-N 1 0 397.563 3.339 50 0 GGAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000011773322 1399011701 /nfs/dbraw/zinc/01/17/01/1399011701.db2.gz JXCHXEJFUSOPMG-HXUWFJFHSA-N 1 0 389.503 3.082 50 0 GGAARO Cc1cccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cccc(F)c4)O3)CC2)n1 ZINC000011785352 1399012152 /nfs/dbraw/zinc/01/21/52/1399012152.db2.gz JFMIOIFTVRSIOW-OAQYLSRUSA-N 1 0 397.494 3.473 50 0 GGAARO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000011816876 1399013764 /nfs/dbraw/zinc/01/37/64/1399013764.db2.gz PDTHJMCLIZZSJB-UHFFFAOYSA-N 1 0 392.547 3.074 50 0 GGAARO COCCN(Cc1nccs1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011814763 1399013791 /nfs/dbraw/zinc/01/37/91/1399013791.db2.gz UFEYYEVMMFEOHZ-GOSISDBHSA-N 1 0 385.577 3.471 50 0 GGAARO Cn1ccnc1CNC(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000011819508 1399014500 /nfs/dbraw/zinc/01/45/00/1399014500.db2.gz GYQMVZBHVFUGIU-UHFFFAOYSA-N 1 0 384.524 3.239 50 0 GGAARO O=C(NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000011839397 1399015042 /nfs/dbraw/zinc/01/50/42/1399015042.db2.gz BPILOZFLHQZOCT-OAQYLSRUSA-N 1 0 383.580 3.464 50 0 GGAARO O=C(c1cn(C2CCCCC2)nn1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000011879437 1399016546 /nfs/dbraw/zinc/01/65/46/1399016546.db2.gz CVODJEKIKGCNSS-UHFFFAOYSA-N 1 0 393.535 3.446 50 0 GGAARO CN1CCC[C@@H](C[N@H+](C)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)C1 ZINC000011910630 1399017280 /nfs/dbraw/zinc/01/72/80/1399017280.db2.gz HAWACBYPMPHUHC-QUCCMNQESA-N 1 0 377.960 3.495 50 0 GGAARO COc1cccc2ccc(C[N@@H+]3CCC[C@H](CCC(=O)N4CCOCC4)C3)nc21 ZINC000011957063 1399020327 /nfs/dbraw/zinc/02/03/27/1399020327.db2.gz MBVZMXOUSJCIJD-GOSISDBHSA-N 1 0 397.519 3.094 50 0 GGAARO CC1(C)C(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccn4)CC3)O2)C1(C)C ZINC000011995841 1399023308 /nfs/dbraw/zinc/02/33/08/1399023308.db2.gz UQBMCAGBWKHASB-SFHVURJKSA-N 1 0 385.552 3.394 50 0 GGAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(CCC2CCCCC2)nn1 ZINC000012026469 1399024596 /nfs/dbraw/zinc/02/45/96/1399024596.db2.gz GPKKCBGGFNBIQC-HXUWFJFHSA-N 1 0 381.524 3.253 50 0 GGAARO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](CC(C)(C)C)CC2 ZINC000012030614 1399024716 /nfs/dbraw/zinc/02/47/16/1399024716.db2.gz USVCRLPHZTWKAO-SFHVURJKSA-N 1 0 398.555 3.095 50 0 GGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(CCC2CCCCC2)nn1 ZINC000012026479 1399024779 /nfs/dbraw/zinc/02/47/79/1399024779.db2.gz GPKKCBGGFNBIQC-FQEVSTJZSA-N 1 0 381.524 3.253 50 0 GGAARO c1cc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)n(-c2cccnc2)c1 ZINC000012047862 1399025319 /nfs/dbraw/zinc/02/53/19/1399025319.db2.gz LHVYBRSHWLYERH-UHFFFAOYSA-N 1 0 398.514 3.307 50 0 GGAARO CC(=O)NCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012053497 1399025996 /nfs/dbraw/zinc/02/59/96/1399025996.db2.gz PJOIYQDLEQDERY-UHFFFAOYSA-N 1 0 399.579 3.157 50 0 GGAARO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3ccc4nonc4c3)[N@@H+]3CCC[C@@]123 ZINC000012056292 1399026025 /nfs/dbraw/zinc/02/60/25/1399026025.db2.gz YWDDBQQBQCXLQT-HARLFGEKSA-N 1 0 388.471 3.203 50 0 GGAARO O=C(Cc1cccc(F)c1)NC[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000012154815 1399031100 /nfs/dbraw/zinc/03/11/00/1399031100.db2.gz BLLUIUDEICQYOQ-OAQYLSRUSA-N 1 0 397.494 3.093 50 0 GGAARO O=C1CC[C@H](CC[NH2+]Cc2ccncc2)N1CC1(c2ccccc2)CCOCC1 ZINC000012243799 1399034135 /nfs/dbraw/zinc/03/41/35/1399034135.db2.gz ZPLFNLCEZQIYCN-JOCHJYFZSA-N 1 0 393.531 3.301 50 0 GGAARO O=c1c2c(ncn1CCCc1ccncc1)sc1c2CC[C@@H]([NH2+]CC2CC2)C1 ZINC000012247790 1399034860 /nfs/dbraw/zinc/03/48/60/1399034860.db2.gz KMBFTGDTOFJGDV-QGZVFWFLSA-N 1 0 394.544 3.343 50 0 GGAARO O=c1c2c(ncn1CCCc1ccncc1)sc1c2CC[C@H]([NH2+]CC2CC2)C1 ZINC000012247789 1399034864 /nfs/dbraw/zinc/03/48/64/1399034864.db2.gz KMBFTGDTOFJGDV-KRWDZBQOSA-N 1 0 394.544 3.343 50 0 GGAARO COCCN1CCC[C@]2(CC[N@@H+](C3CCN(c4ccccc4OC)CC3)C2)C1 ZINC000012307517 1399038268 /nfs/dbraw/zinc/03/82/68/1399038268.db2.gz IYHISGIGMFLFCL-QHCPKHFHSA-N 1 0 387.568 3.098 50 0 GGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000012306835 1399038482 /nfs/dbraw/zinc/03/84/82/1399038482.db2.gz XHHNBUYFJYPTMF-UHFFFAOYSA-N 1 0 394.441 3.455 50 0 GGAARO CC(C)/C=C/CN1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000012308594 1399038493 /nfs/dbraw/zinc/03/84/93/1399038493.db2.gz FLHPCKYOZVBWJQ-AATRIKPKSA-N 1 0 384.568 3.086 50 0 GGAARO C[NH+](C)CCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000012419471 1399041454 /nfs/dbraw/zinc/04/14/54/1399041454.db2.gz HCWOQBBGKBEENP-UHFFFAOYSA-N 1 0 393.440 3.270 50 0 GGAARO O=C(c1ccc2n[nH]nc2c1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012429319 1399042417 /nfs/dbraw/zinc/04/24/17/1399042417.db2.gz ASIPBEYQHQXHOR-QHCPKHFHSA-N 1 0 389.503 3.129 50 0 GGAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1cnc2ccccc2c1 ZINC000012437767 1399042887 /nfs/dbraw/zinc/04/28/87/1399042887.db2.gz YCLOYMPNDPEAFP-HSZRJFAPSA-N 1 0 381.520 3.258 50 0 GGAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012455773 1399043610 /nfs/dbraw/zinc/04/36/10/1399043610.db2.gz FYJCZEKPOMHNTE-HXUWFJFHSA-N 1 0 394.523 3.041 50 0 GGAARO CC(C)(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000012457551 1399043652 /nfs/dbraw/zinc/04/36/52/1399043652.db2.gz KAOMHXJAISWPGV-INIZCTEOSA-N 1 0 375.538 3.271 50 0 GGAARO O=C(c1coc(COc2cccc(F)c2F)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000012458591 1399043787 /nfs/dbraw/zinc/04/37/87/1399043787.db2.gz VBVSMTRKOHJGOF-UHFFFAOYSA-N 1 0 391.418 3.232 50 0 GGAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@H](O)CO)c(C)s1 ZINC000012472216 1399044730 /nfs/dbraw/zinc/04/47/30/1399044730.db2.gz HFYPPKXHMJENOO-INIZCTEOSA-N 1 0 389.496 3.142 50 0 GGAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000012511436 1399046347 /nfs/dbraw/zinc/04/63/47/1399046347.db2.gz JDRIMHFGEVROSH-IRXDYDNUSA-N 1 0 394.462 3.121 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccncc1 ZINC000012585610 1399048791 /nfs/dbraw/zinc/04/87/91/1399048791.db2.gz OVUYYKMZHPBIFW-UHFFFAOYSA-N 1 0 385.483 3.222 50 0 GGAARO CN(C(=O)CC[C@H]1CCCN(C(=O)C2=CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000012707999 1399054694 /nfs/dbraw/zinc/05/46/94/1399054694.db2.gz HWJFMIBVBCQXLB-GOSISDBHSA-N 1 0 375.557 3.058 50 0 GGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CC2CCCC2)CC1 ZINC000012709010 1399054912 /nfs/dbraw/zinc/05/49/12/1399054912.db2.gz XKQNMWUGPZOJIU-UHFFFAOYSA-N 1 0 390.524 3.105 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCn1cccn1 ZINC000012712438 1399055384 /nfs/dbraw/zinc/05/53/84/1399055384.db2.gz JVOTXPRWECIPTL-FQEVSTJZSA-N 1 0 386.515 3.216 50 0 GGAARO O=C(C1CCOCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012718417 1399055844 /nfs/dbraw/zinc/05/58/44/1399055844.db2.gz KNKWWRDQFPFPKO-OAQYLSRUSA-N 1 0 378.463 3.206 50 0 GGAARO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2cccnc21 ZINC000012750863 1399057432 /nfs/dbraw/zinc/05/74/32/1399057432.db2.gz TTXJABAHISIDOO-LJQANCHMSA-N 1 0 395.528 3.425 50 0 GGAARO CCN(CC[NH+]1CCCC1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000012745732 1399057691 /nfs/dbraw/zinc/05/76/91/1399057691.db2.gz PTEXPLNRVYIXFF-UHFFFAOYSA-N 1 0 379.407 3.090 50 0 GGAARO O=C(CCc1cn[nH]c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012836591 1399060697 /nfs/dbraw/zinc/06/06/97/1399060697.db2.gz HQPMZKKHWFODQG-OAQYLSRUSA-N 1 0 388.462 3.135 50 0 GGAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H]([NH+]1CCC(C)CC1)CC2 ZINC000014533650 1399109697 /nfs/dbraw/zinc/10/96/97/1399109697.db2.gz ITXVRBJAPABYGV-LJQANCHMSA-N 1 0 380.536 3.075 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccccc1)C2 ZINC000014533974 1399109708 /nfs/dbraw/zinc/10/97/08/1399109708.db2.gz AYPJIYMEYGDMJL-GOSISDBHSA-N 1 0 398.576 3.081 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@H+](C)Cc1ccccc1)C2 ZINC000014533973 1399109721 /nfs/dbraw/zinc/10/97/21/1399109721.db2.gz AYPJIYMEYGDMJL-SFHVURJKSA-N 1 0 398.576 3.081 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1)C2 ZINC000014540052 1399109820 /nfs/dbraw/zinc/10/98/20/1399109820.db2.gz LJUQSWSJMZDGMN-IBGZPJMESA-N 1 0 380.536 3.219 50 0 GGAARO Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC000014536836 1399109872 /nfs/dbraw/zinc/10/98/72/1399109872.db2.gz UMOGYTQTUKLXQR-LJQANCHMSA-N 1 0 380.536 3.172 50 0 GGAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cc(C)no1)C2 ZINC000014748167 1399117779 /nfs/dbraw/zinc/11/77/79/1399117779.db2.gz FBQXMLMLINZIPD-KRWDZBQOSA-N 1 0 399.539 3.253 50 0 GGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000014750944 1399117788 /nfs/dbraw/zinc/11/77/88/1399117788.db2.gz DKIWDVOJDMMGNO-FQEVSTJZSA-N 1 0 388.515 3.280 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccc(F)cc1)CC2 ZINC000014741184 1399117835 /nfs/dbraw/zinc/11/78/35/1399117835.db2.gz AQCIWSOHXOGHBL-KRWDZBQOSA-N 1 0 396.466 3.072 50 0 GGAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000014740498 1399117838 /nfs/dbraw/zinc/11/78/38/1399117838.db2.gz ISMCYAGHQDTIRQ-LJQANCHMSA-N 1 0 395.551 3.351 50 0 GGAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccn1)C2 ZINC000014755746 1399118510 /nfs/dbraw/zinc/11/85/10/1399118510.db2.gz PFPHVQSOFKVIEK-IBGZPJMESA-N 1 0 395.551 3.004 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc(C)c(OC)cc3C)C2)nn1 ZINC000014959201 1399128660 /nfs/dbraw/zinc/12/86/60/1399128660.db2.gz LDRLJKXJUJHREF-LJQANCHMSA-N 1 0 399.539 3.223 50 0 GGAARO O=C(CCN1CCCO1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000014960190 1399128821 /nfs/dbraw/zinc/12/88/21/1399128821.db2.gz ZXWDXIBGVASTCN-QFIPXVFZSA-N 1 0 377.573 3.299 50 0 GGAARO CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)c(=O)[nH]2)CC1 ZINC000014954499 1399128865 /nfs/dbraw/zinc/12/88/65/1399128865.db2.gz IWYPSFAKYQYBHW-OAQYLSRUSA-N 1 0 379.504 3.414 50 0 GGAARO CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCCOC(C)C)C3 ZINC000014952628 1399128967 /nfs/dbraw/zinc/12/89/67/1399128967.db2.gz AFQXMYHHMXOOOP-HNNXBMFYSA-N 1 0 377.554 3.376 50 0 GGAARO CC[N@H+](C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014972201 1399129552 /nfs/dbraw/zinc/12/95/52/1399129552.db2.gz LOTNCPGCPJQITN-OAQYLSRUSA-N 1 0 389.559 3.413 50 0 GGAARO C[NH+]1CCC(CC(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000014967194 1399129604 /nfs/dbraw/zinc/12/96/04/1399129604.db2.gz KLMDLKJNVFMJCC-IBGZPJMESA-N 1 0 388.462 3.376 50 0 GGAARO CC[N@H+](C[C@H]1CCCN(CCc2cccc(F)c2)C1)C1CCN(C(C)=O)CC1 ZINC000014972204 1399129607 /nfs/dbraw/zinc/12/96/07/1399129607.db2.gz LOTNCPGCPJQITN-NRFANRHFSA-N 1 0 389.559 3.413 50 0 GGAARO COc1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cn1 ZINC000014960402 1399129728 /nfs/dbraw/zinc/12/97/28/1399129728.db2.gz DFURSLHWGKEYNU-QFIPXVFZSA-N 1 0 386.540 3.384 50 0 GGAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014995543 1399130204 /nfs/dbraw/zinc/13/02/04/1399130204.db2.gz GVJQBUGOJWRNMB-LJQANCHMSA-N 1 0 397.523 3.140 50 0 GGAARO CCOC(=O)c1cnn(-c2ccccc2Cl)c1C[NH2+]CCCn1ccnc1 ZINC000014984587 1399130407 /nfs/dbraw/zinc/13/04/07/1399130407.db2.gz VTHDGCRUWSGNKU-UHFFFAOYSA-N 1 0 387.871 3.079 50 0 GGAARO COc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)cn1 ZINC000015063711 1399135705 /nfs/dbraw/zinc/13/57/05/1399135705.db2.gz PRFDQYLCYOQDER-NRFANRHFSA-N 1 0 388.462 3.252 50 0 GGAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000015068292 1399135813 /nfs/dbraw/zinc/13/58/13/1399135813.db2.gz BNCCUJBHNDMYIP-OAHLLOKOSA-N 1 0 382.439 3.277 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(CO)o2)CC1)c1cccc(F)c1 ZINC000015069743 1399135915 /nfs/dbraw/zinc/13/59/15/1399135915.db2.gz FLYBUOZSHWTSDF-UHFFFAOYSA-N 1 0 398.438 3.197 50 0 GGAARO O=C(NCCc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015074182 1399136638 /nfs/dbraw/zinc/13/66/38/1399136638.db2.gz XDGGBJNLIDCYNI-QHCPKHFHSA-N 1 0 392.547 3.225 50 0 GGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074420 1399136801 /nfs/dbraw/zinc/13/68/01/1399136801.db2.gz AWBSNXLYHWCNNK-QHCPKHFHSA-N 1 0 398.551 3.234 50 0 GGAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000015074581 1399136896 /nfs/dbraw/zinc/13/68/96/1399136896.db2.gz SIJBSHKXXHCGSF-UHFFFAOYSA-N 1 0 391.475 3.376 50 0 GGAARO CN(C(=O)C(=O)CCc1ccccc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019112718 1399325830 /nfs/dbraw/zinc/32/58/30/1399325830.db2.gz ZYFJLXQHMKQUNS-QFIPXVFZSA-N 1 0 378.516 3.354 50 0 GGAARO Cc1csc(CN(C)c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)n1 ZINC000019335257 1399329513 /nfs/dbraw/zinc/32/95/13/1399329513.db2.gz ZCWUKVBWWDVIOV-QGZVFWFLSA-N 1 0 387.553 3.087 50 0 GGAARO Cc1oncc1C(=O)NCC1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000019773903 1399338113 /nfs/dbraw/zinc/33/81/13/1399338113.db2.gz UJGOVNSDBKZDBD-UHFFFAOYSA-N 1 0 375.472 3.382 50 0 GGAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)c1 ZINC000019770203 1399338129 /nfs/dbraw/zinc/33/81/29/1399338129.db2.gz ZUWFYCXBORDXQB-QGZVFWFLSA-N 1 0 382.489 3.378 50 0 GGAARO CC(C)n1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000019794566 1399338699 /nfs/dbraw/zinc/33/86/99/1399338699.db2.gz RKQPXXBAEIRJSP-JOCHJYFZSA-N 1 0 385.531 3.390 50 0 GGAARO Cc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCC(Oc4cccnc4)CC3)c2)n1 ZINC000019792561 1399338779 /nfs/dbraw/zinc/33/87/79/1399338779.db2.gz WHQFAHKDLFOYLP-UHFFFAOYSA-N 1 0 376.460 3.184 50 0 GGAARO COCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000019788796 1399338887 /nfs/dbraw/zinc/33/88/87/1399338887.db2.gz OMCICJKBZYGSAR-FQEVSTJZSA-N 1 0 376.460 3.315 50 0 GGAARO COCCc1ncc(CN(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000019842195 1399339387 /nfs/dbraw/zinc/33/93/87/1399339387.db2.gz UTGKRZSAPZGMKQ-QFIPXVFZSA-N 1 0 382.552 3.195 50 0 GGAARO O=C(CCc1cn[nH]c1)N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000019952370 1399340122 /nfs/dbraw/zinc/34/01/22/1399340122.db2.gz KFAMZYFNNXYPAX-QFIPXVFZSA-N 1 0 380.536 3.146 50 0 GGAARO CSc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000020271750 1399344218 /nfs/dbraw/zinc/34/42/18/1399344218.db2.gz WDERRRPXGCFCFJ-QGZVFWFLSA-N 1 0 385.537 3.073 50 0 GGAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000020450907 1399346268 /nfs/dbraw/zinc/34/62/68/1399346268.db2.gz UVAZZGGGDPHMAZ-SFHVURJKSA-N 1 0 397.485 3.084 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1CC1CCCCC1 ZINC000020534935 1399348102 /nfs/dbraw/zinc/34/81/02/1399348102.db2.gz LYMRPLVGXNULSX-QFIPXVFZSA-N 1 0 382.552 3.321 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1Cc1cccs1 ZINC000020598589 1399349099 /nfs/dbraw/zinc/34/90/99/1399349099.db2.gz LNZYVFMWJKFEQT-LJQANCHMSA-N 1 0 382.533 3.003 50 0 GGAARO Cc1oc2cc(OCCN3CC[NH+](C)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000020591215 1399349390 /nfs/dbraw/zinc/34/93/90/1399349390.db2.gz KQXHMDQEGSINRG-UHFFFAOYSA-N 1 0 378.472 3.395 50 0 biogenic GGAARO c1ccc(Cc2noc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020781838 1399352731 /nfs/dbraw/zinc/35/27/31/1399352731.db2.gz NPRLULMTXBRZOX-QFIPXVFZSA-N 1 0 388.515 3.336 50 0 GGAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000020784364 1399352980 /nfs/dbraw/zinc/35/29/80/1399352980.db2.gz BVKVWGBPPNKGMS-LJQANCHMSA-N 1 0 395.507 3.306 50 0 GGAARO CC[NH+]1CCN([C@H]2CCc3c(sc4ncn(C5CCCC5)c(=O)c34)C2)CC1 ZINC000020821231 1399354275 /nfs/dbraw/zinc/35/42/75/1399354275.db2.gz LNDFYXRZWPPVAR-INIZCTEOSA-N 1 0 386.565 3.068 50 0 GGAARO COC(=O)CCCC(=O)NCC1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000020910720 1399356721 /nfs/dbraw/zinc/35/67/21/1399356721.db2.gz PIOGVKJRPBBGRW-UHFFFAOYSA-N 1 0 394.515 3.116 50 0 GGAARO COc1cc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)cc(Cl)c1OC ZINC000020999450 1399360167 /nfs/dbraw/zinc/36/01/67/1399360167.db2.gz ATTQTYQICMJPAG-KRWDZBQOSA-N 1 0 382.932 3.026 50 0 GGAARO CCCc1cc(=O)[nH]c(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)n1 ZINC000020995651 1399360347 /nfs/dbraw/zinc/36/03/47/1399360347.db2.gz TYFYRVUUOBNQGQ-UHFFFAOYSA-N 1 0 380.536 3.450 50 0 GGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3c(C)n(C)c4ccccc34)C2)CC1 ZINC000020998423 1399360376 /nfs/dbraw/zinc/36/03/76/1399360376.db2.gz KKWPMDGHRSNFMS-LJQANCHMSA-N 1 0 398.551 3.225 50 0 GGAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4ccccn4)CC3)CC2)c1C ZINC000022241841 1399446448 /nfs/dbraw/zinc/44/64/48/1399446448.db2.gz AGOMNPSKZHBOAW-UHFFFAOYSA-N 1 0 392.547 3.259 50 0 GGAARO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912060 1399516765 /nfs/dbraw/zinc/51/67/65/1399516765.db2.gz PZIKXJIEEDDTHF-OAQYLSRUSA-N 1 0 398.551 3.251 50 0 GGAARO CN(C)CC[N@H+](C)[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919003 1399517815 /nfs/dbraw/zinc/51/78/15/1399517815.db2.gz FURXCVMTIPSCDD-GOSISDBHSA-N 1 0 376.545 3.407 50 0 GGAARO Cc1cc(C)nc(CC[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)n1 ZINC000023251587 1399544347 /nfs/dbraw/zinc/54/43/47/1399544347.db2.gz VJLSYLVTPGKNEC-UHFFFAOYSA-N 1 0 376.508 3.080 50 0 GGAARO Cc1c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281962 1399547146 /nfs/dbraw/zinc/54/71/46/1399547146.db2.gz QUHLKCQKHPIBQA-UHFFFAOYSA-N 1 0 396.922 3.460 50 0 GGAARO OCCC[NH2+]Cc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3 ZINC000023337932 1399550223 /nfs/dbraw/zinc/55/02/23/1399550223.db2.gz VOVOSTBSQNOHDG-UHFFFAOYSA-N 1 0 384.407 3.154 50 0 GGAARO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000023338962 1399550783 /nfs/dbraw/zinc/55/07/83/1399550783.db2.gz HPAKIRYKCCUNCW-MRXNPFEDSA-N 1 0 381.863 3.324 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C/C(Cl)=C/c2ccccc2)CN1Cc1ccccc1 ZINC000023361535 1399552894 /nfs/dbraw/zinc/55/28/94/1399552894.db2.gz MHNVRHKHYRUKBD-JLJDZFQCSA-N 1 0 383.923 3.245 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CN1C(C)C ZINC000023363210 1399553080 /nfs/dbraw/zinc/55/30/80/1399553080.db2.gz CEDTVBDEQLABJL-GMAHTHKFSA-N 1 0 395.547 3.343 50 0 GGAARO CC(C)CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3ncccn3)CC2)[C@H]1O ZINC000023368791 1399553551 /nfs/dbraw/zinc/55/35/51/1399553551.db2.gz HKJPKVMFSCHMDL-RTWAWAEBSA-N 1 0 380.536 3.408 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000023478409 1399563605 /nfs/dbraw/zinc/56/36/05/1399563605.db2.gz LHHXLJGIJYQBHO-HNNXBMFYSA-N 1 0 376.451 3.007 50 0 GGAARO Cc1nc([C@H](C)N(C)Cc2ccc(-c3nc(CC[NH3+])cc(=O)[nH]3)cc2)c(C)s1 ZINC000023505962 1399566307 /nfs/dbraw/zinc/56/63/07/1399566307.db2.gz FZSZXYRYKAGHSE-ZDUSSCGKSA-N 1 0 397.548 3.204 50 0 GGAARO O=c1cc(-c2ccc(O)cc2)nc(-c2cccc(C[N@@H+]3CCCOCC3)c2)[nH]1 ZINC000023582224 1399572269 /nfs/dbraw/zinc/57/22/69/1399572269.db2.gz CNIKZTKRCIVFQU-UHFFFAOYSA-N 1 0 377.444 3.032 50 0 GGAARO Cc1cc(C)n(Cc2nc(-c3c(C)ncc4c3CC[N@H+](CC3CC3)C4)no2)n1 ZINC000023581592 1399572412 /nfs/dbraw/zinc/57/24/12/1399572412.db2.gz XBOLLRQXCUJWOD-UHFFFAOYSA-N 1 0 378.480 3.070 50 0 GGAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@@H+](C)C[C@H]12 ZINC000025184424 1399764314 /nfs/dbraw/zinc/76/43/14/1399764314.db2.gz HILOINODNGRDPM-RBBKRZOGSA-N 1 0 394.906 3.426 50 0 GGAARO O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000047832710 1404967556 /nfs/dbraw/zinc/96/75/56/1404967556.db2.gz QVFSFTSFNWBAHW-SFHVURJKSA-N 1 0 384.549 3.094 50 0 GGAARO COC[C@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048315028 1405140690 /nfs/dbraw/zinc/14/06/90/1405140690.db2.gz KKIZQTHDNGMJKR-SFHVURJKSA-N 1 0 390.487 3.357 50 0 GGAARO O=c1cc(CCn2cccn2)nc(-c2ccc(C[NH+]3CCC(F)(F)CC3)cc2)[nH]1 ZINC000048353752 1405158682 /nfs/dbraw/zinc/15/86/82/1405158682.db2.gz UYZIMXOBNSIBPX-UHFFFAOYSA-N 1 0 399.445 3.107 50 0 GGAARO Cc1cc(Cl)ccc1-n1nc(CC(C)C)nc1C[C@H]1C[N@H+](C)CCN1C ZINC000065376482 1408664291 /nfs/dbraw/zinc/66/42/91/1408664291.db2.gz QMGRSUJYOXRFTF-KRWDZBQOSA-N 1 0 375.948 3.216 50 0 GGAARO CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCC2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000065405642 1408664792 /nfs/dbraw/zinc/66/47/92/1408664792.db2.gz FBAMCQDOADNTFZ-GCJKJVERSA-N 1 0 379.589 3.049 50 0 GGAARO C[N@H+](CCC(=O)N1CCc2ccccc2C1)Cc1cc(-c2ccncc2)no1 ZINC000065461568 1408672884 /nfs/dbraw/zinc/67/28/84/1408672884.db2.gz GHTZWMVKMDJCEG-UHFFFAOYSA-N 1 0 376.460 3.143 50 0 GGAARO Cc1ccc(C)c(CC(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095505667 1410315473 /nfs/dbraw/zinc/31/54/73/1410315473.db2.gz PCWUDHCWZMQWGI-FQEVSTJZSA-N 1 0 382.552 3.400 50 0 GGAARO O=c1[nH]c(-c2ccc(CN3CCC[C@@H]3c3nccs3)cc2)nc2c1C[NH2+]CC2 ZINC000096879111 1410337305 /nfs/dbraw/zinc/33/73/05/1410337305.db2.gz NJBTXVUDSNWIJH-GOSISDBHSA-N 1 0 393.516 3.289 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1ccccc1Cl ZINC000211259457 1433357370 /nfs/dbraw/zinc/35/73/70/1433357370.db2.gz UVSBRUWHXGUEPN-BEFAXECRSA-N 1 0 393.865 3.097 50 0 GGAARO O=C(COc1ccc2ccccc2c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225563463 1433367050 /nfs/dbraw/zinc/36/70/50/1433367050.db2.gz IYFIPKGEKDCXDD-UHFFFAOYSA-N 1 0 382.504 3.226 50 0 GGAARO O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000244742043 1433453535 /nfs/dbraw/zinc/45/35/35/1433453535.db2.gz OBAUUKNVHVFOCX-DNVJHFABSA-N 1 0 384.564 3.341 50 0 GGAARO C[C@H]1C[N@H+](CCC(=O)N(C)C[C@H]2CCCCO2)Cc2cc(Cl)ccc2O1 ZINC000248070921 1433767694 /nfs/dbraw/zinc/76/76/94/1433767694.db2.gz AWOKLVSTISWTQT-MAUKXSAKSA-N 1 0 380.916 3.341 50 0 GGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000253413666 1433867165 /nfs/dbraw/zinc/86/71/65/1433867165.db2.gz VJPYQZQXTDYNTI-MAUKXSAKSA-N 1 0 380.492 3.306 50 0 biogenic GGAARO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253408466 1433867239 /nfs/dbraw/zinc/86/72/39/1433867239.db2.gz KTLRVTCUNAPFBT-OXJNMPFZSA-N 1 0 398.503 3.072 50 0 biogenic GGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000253623946 1433870783 /nfs/dbraw/zinc/87/07/83/1433870783.db2.gz VHXBWJXMFRHILJ-FXAWDEMLSA-N 1 0 396.535 3.381 50 0 biogenic GGAARO C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CCC[C@](C)(CO)C3)CC2)cc1 ZINC000257372022 1433895185 /nfs/dbraw/zinc/89/51/85/1433895185.db2.gz MUHYQGKMRZXKFO-JPYJTQIMSA-N 1 0 385.552 3.265 50 0 GGAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)N(C)Cc2[nH]nc3c2CCCC3)C1 ZINC000426397418 231213841 /nfs/dbraw/zinc/21/38/41/231213841.db2.gz NTASYROXDQUXFW-GOSISDBHSA-N 1 0 395.551 3.228 50 0 GGAARO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)N(C)Cc2[nH]nc3c2CCCC3)C1 ZINC000426397419 231213900 /nfs/dbraw/zinc/21/39/00/231213900.db2.gz NTASYROXDQUXFW-SFHVURJKSA-N 1 0 395.551 3.228 50 0 GGAARO O=C(NCc1ccc(F)cc1F)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000426398279 231215190 /nfs/dbraw/zinc/21/51/90/231215190.db2.gz ZQJUBUVNRNGURZ-HXUWFJFHSA-N 1 0 385.458 3.350 50 0 GGAARO O=C(NCCCCC[NH+]1CCOCC1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000426429846 231220345 /nfs/dbraw/zinc/22/03/45/231220345.db2.gz RMIOCHRGWRROGG-KRWDZBQOSA-N 1 0 379.932 3.341 50 0 GGAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000426431741 231221232 /nfs/dbraw/zinc/22/12/32/231221232.db2.gz FRCBBYUNXHLZDU-LJQANCHMSA-N 1 0 383.540 3.189 50 0 GGAARO Cc1cc(C)n(CC2(CNC(=O)c3cccc(-c4c[nH+]ccc4N)c3)CC2)n1 ZINC000426429834 231221256 /nfs/dbraw/zinc/22/12/56/231221256.db2.gz QBOCBNNWVMBAAH-UHFFFAOYSA-N 1 0 375.476 3.185 50 0 GGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409414905 231203862 /nfs/dbraw/zinc/20/38/62/231203862.db2.gz YMOPELVKFMIKIS-NQIIRXRSSA-N 1 0 390.572 3.351 50 0 GGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414551 231204288 /nfs/dbraw/zinc/20/42/88/231204288.db2.gz MJDYLKVEQWCGOC-NQIIRXRSSA-N 1 0 390.572 3.351 50 0 GGAARO Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](N4CC[NH+](C)CC4)C3)cc2)cc1F ZINC000426388171 231212296 /nfs/dbraw/zinc/21/22/96/231212296.db2.gz OLQQOCVSRLXUNO-OAQYLSRUSA-N 1 0 381.495 3.263 50 0 GGAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000426490745 231228362 /nfs/dbraw/zinc/22/83/62/231228362.db2.gz RVCWOYYXPUYSMT-GOSISDBHSA-N 1 0 376.460 3.308 50 0 GGAARO Cc1cc(-c2ccc(C(=O)N3CCN(c4cc[nH+]cc4C)CC3)cc2)cnc1N ZINC000426503181 231231366 /nfs/dbraw/zinc/23/13/66/231231366.db2.gz LUSAWKHKMOFSEB-UHFFFAOYSA-N 1 0 387.487 3.135 50 0 GGAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000426508157 231231495 /nfs/dbraw/zinc/23/14/95/231231495.db2.gz XGDCMLLPQJULMT-KRWDZBQOSA-N 1 0 378.904 3.074 50 0 GGAARO CN(C(=O)NCCc1nc2ccccc2n1C)[C@H](C[NH+](C)C)c1ccccc1 ZINC000426512329 231232128 /nfs/dbraw/zinc/23/21/28/231232128.db2.gz UZDYHXHPCYZUCD-HXUWFJFHSA-N 1 0 379.508 3.060 50 0 GGAARO C[C@@H](NC(=O)N1CC[NH+](CC2CCCC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000426523369 231236161 /nfs/dbraw/zinc/23/61/61/231236161.db2.gz DYVZGGVCZBORTM-GOSISDBHSA-N 1 0 381.524 3.451 50 0 GGAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccc(C(=O)N3CCCCC3)o2)cc1 ZINC000426551049 231239787 /nfs/dbraw/zinc/23/97/87/231239787.db2.gz HHGNJUXULCXAHC-INIZCTEOSA-N 1 0 381.476 3.007 50 0 GGAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551957 231240944 /nfs/dbraw/zinc/24/09/44/231240944.db2.gz IYNUTPAIPYOTDB-OQBYNLHGSA-N 1 0 383.515 3.443 50 0 GGAARO O=C(NCc1cc2cc(F)ccc2[nH]1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426604615 231246864 /nfs/dbraw/zinc/24/68/64/231246864.db2.gz TUOSMZNBANRIGC-UHFFFAOYSA-N 1 0 392.478 3.302 50 0 GGAARO Nc1cc[nH+]cc1-c1cccc(C(=O)N2CCC(CCn3cccn3)CC2)c1 ZINC000426633964 231248408 /nfs/dbraw/zinc/24/84/08/231248408.db2.gz PCWXNIGJNHXSKS-UHFFFAOYSA-N 1 0 375.476 3.300 50 0 GGAARO CCc1oc(C(=O)NCc2ccc(-c3ncon3)cc2)cc1C[NH+]1CCCC1 ZINC000426712040 231255252 /nfs/dbraw/zinc/25/52/52/231255252.db2.gz NCABNOXSJFJWOG-UHFFFAOYSA-N 1 0 380.448 3.418 50 0 GGAARO O=C(NC[C@]1(O)CCC[NH2+]C1)c1ccc(-c2c(O)ccc3ccccc32)cc1 ZINC000426740325 231256783 /nfs/dbraw/zinc/25/67/83/231256783.db2.gz CKXKBSXPDGZGAR-QHCPKHFHSA-N 1 0 376.456 3.057 50 0 GGAARO CCc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)[nH]n1 ZINC000426730532 529528153 /nfs/dbraw/zinc/52/81/53/529528153.db2.gz VICFCWWXTJZJEU-NRFANRHFSA-N 1 0 388.462 3.265 50 0 GGAARO CC[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000426536531 529611208 /nfs/dbraw/zinc/61/12/08/529611208.db2.gz RICWABNCMYSFFT-QGZVFWFLSA-N 1 0 378.480 3.249 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426386981 529643743 /nfs/dbraw/zinc/64/37/43/529643743.db2.gz AOSXXXJPWQUPGB-KRWDZBQOSA-N 1 0 398.576 3.075 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCCC[C@@H]4C[NH3+])csc3C2)nc1 ZINC000426574855 529643788 /nfs/dbraw/zinc/64/37/88/529643788.db2.gz VYDSVSXXRCVYGG-GOSISDBHSA-N 1 0 398.576 3.217 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCCC[C@H]4C[NH3+])csc3C2)nc1 ZINC000426574859 529643831 /nfs/dbraw/zinc/64/38/31/529643831.db2.gz VYDSVSXXRCVYGG-SFHVURJKSA-N 1 0 398.576 3.217 50 0 GGAARO C[NH+]1CCN(c2ccc(NC(=O)CCn3cccc3)cc2C(F)(F)F)CC1 ZINC000409414101 529777642 /nfs/dbraw/zinc/77/76/42/529777642.db2.gz NNJLCWKYUFXMDE-UHFFFAOYSA-N 1 0 380.414 3.288 50 0 GGAARO C[N@@H+]1CC[C@](C)(CNC(=O)c2ccc(-c3ccc4c(c3)OCCC4=O)cc2)C1 ZINC000426419990 529809010 /nfs/dbraw/zinc/80/90/10/529809010.db2.gz DZMKIDWZBKYNMM-HSZRJFAPSA-N 1 0 378.472 3.390 50 0 GGAARO COc1ccc(-n2ncc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2C)cc1 ZINC000225408374 206258417 /nfs/dbraw/zinc/25/84/17/206258417.db2.gz VFDCJOLMWUQVJV-DYESRHJHSA-N 1 0 382.508 3.184 50 0 biogenic GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385753 206264211 /nfs/dbraw/zinc/26/42/11/206264211.db2.gz ZYEJHEIQNIPHJT-XMMPIXPASA-N 1 0 390.531 3.250 50 0 GGAARO 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 206281310 /nfs/dbraw/zinc/28/13/10/206281310.db2.gz GYOGHROCTSEKDY-ZZSJWKEFSA-N 1 0 375.509 3.015 50 0 biogenic GGAARO COc1cccc(-c2cc3n(n2)[C@@H]([NH2+]C[C@@H](C)c2ccccc2)CNC3=O)c1 ZINC000263617189 206289170 /nfs/dbraw/zinc/28/91/70/206289170.db2.gz MOQNHOULTBHYNQ-QVKFZJNVSA-N 1 0 376.460 3.194 50 0 GGAARO Cc1cc2oc(=O)cc(CN3CC[NH+](CCc4ccncc4)CC3)c2cc1C ZINC000020739033 206297361 /nfs/dbraw/zinc/29/73/61/206297361.db2.gz AILMSWALJHYRLI-UHFFFAOYSA-N 1 0 377.488 3.165 50 0 GGAARO COC(=O)COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000000575232 206308570 /nfs/dbraw/zinc/30/85/70/206308570.db2.gz ZFLBZHXQAMUEFS-KUHUBIRLSA-N 1 0 377.868 3.146 50 0 GGAARO O=C(CCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 ZINC000000643233 206311718 /nfs/dbraw/zinc/31/17/18/206311718.db2.gz DKGZKTPJOSAWFA-UHFFFAOYSA-N 1 0 395.478 3.217 50 0 in-man GGAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000000895014 206331625 /nfs/dbraw/zinc/33/16/25/206331625.db2.gz PMHNFAQEFWPEAG-UHFFFAOYSA-N 1 0 383.286 3.053 50 0 GGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000000755559 206320106 /nfs/dbraw/zinc/32/01/06/206320106.db2.gz JQZBGYVMVQSLAJ-AWEZNQCLSA-N 1 0 399.329 3.244 50 0 GGAARO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000000783047 206320451 /nfs/dbraw/zinc/32/04/51/206320451.db2.gz FRMFDAOHDIRWBV-NVXWUHKLSA-N 1 0 376.497 3.049 50 0 GGAARO CCOc1ccc(OCC)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000000811007 206323356 /nfs/dbraw/zinc/32/33/56/206323356.db2.gz LHXCHJFEFCFVEU-UHFFFAOYSA-N 1 0 384.542 3.072 50 0 GGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(OC)c1OC ZINC000000819243 206323990 /nfs/dbraw/zinc/32/39/90/206323990.db2.gz YPRUHHVZZFEGKF-MRXNPFEDSA-N 1 0 390.524 3.183 50 0 GGAARO Cc1ccc(N(C[C@@H](O)C[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000864214 206329194 /nfs/dbraw/zinc/32/91/94/206329194.db2.gz WOSBWXMYRPCZJL-FQEVSTJZSA-N 1 0 388.533 3.037 50 0 GGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000000895006 206332010 /nfs/dbraw/zinc/33/20/10/206332010.db2.gz NKOBSUNOWDPVLX-CYBMUJFWSA-N 1 0 383.286 3.053 50 0 GGAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccncc1 ZINC000010334081 206383926 /nfs/dbraw/zinc/38/39/26/206383926.db2.gz VIQPCVJFOQVXAP-OAQYLSRUSA-N 1 0 388.471 3.127 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccc2ccccc21 ZINC000010333623 206384639 /nfs/dbraw/zinc/38/46/39/206384639.db2.gz MTBYYLWOAAMWKN-FQEVSTJZSA-N 1 0 397.425 3.476 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccc2ccccc21 ZINC000010333635 206385030 /nfs/dbraw/zinc/38/50/30/206385030.db2.gz QVGXBVDVIXDHHC-HXUWFJFHSA-N 1 0 379.435 3.337 50 0 GGAARO COC(=O)c1sc2nc(-c3ccccc3)nc(N3CC[NH+](C)CC3)c2c1C ZINC000001180400 206363690 /nfs/dbraw/zinc/36/36/90/206363690.db2.gz OINFDOVRWGFVGW-UHFFFAOYSA-N 1 0 382.489 3.205 50 0 GGAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc(OC)c1OC ZINC000001269663 206370199 /nfs/dbraw/zinc/37/01/99/206370199.db2.gz CJCWTDJNBCJPSO-SFHVURJKSA-N 1 0 390.524 3.327 50 0 GGAARO [NH3+]CCCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000001845373 206393775 /nfs/dbraw/zinc/39/37/75/206393775.db2.gz FCBQLZKCRQFUTJ-UHFFFAOYSA-N 1 0 399.314 3.234 50 0 GGAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCOCC1 ZINC000002100916 206398131 /nfs/dbraw/zinc/39/81/31/206398131.db2.gz ATYLIZXFQMGDRD-QFIPXVFZSA-N 1 0 377.488 3.244 50 0 biogenic GGAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002309533 206408731 /nfs/dbraw/zinc/40/87/31/206408731.db2.gz SGSYFSNGQKULKE-STQMWFEESA-N 1 0 375.444 3.400 50 0 GGAARO COC(=O)c1c(CSC(N)=[NH2+])nc2n(Cc3ccccc3)c3ccccc3n21 ZINC000002469663 206419512 /nfs/dbraw/zinc/41/95/12/206419512.db2.gz LVIKCGMFBRAPCS-UHFFFAOYSA-N 1 0 393.472 3.251 50 0 GGAARO Cc1cccc(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 ZINC000002974658 206451163 /nfs/dbraw/zinc/45/11/63/206451163.db2.gz MKKKACARUCANKT-HSZRJFAPSA-N 1 0 379.480 3.417 50 0 GGAARO CCC[NH+](CCC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002988126 206451203 /nfs/dbraw/zinc/45/12/03/206451203.db2.gz TYLACAIWUYCANB-FQEVSTJZSA-N 1 0 390.549 3.365 50 0 GGAARO O=C1C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000004114048 206503492 /nfs/dbraw/zinc/50/34/92/206503492.db2.gz YCYALAHMMRPDOU-HNNXBMFYSA-N 1 0 377.213 3.010 50 0 GGAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccnc1 ZINC000004301861 206513517 /nfs/dbraw/zinc/51/35/17/206513517.db2.gz JYCDYZJCIVZWNA-HXUWFJFHSA-N 1 0 391.471 3.465 50 0 GGAARO O=C(c1ccccc1F)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004700655 206544583 /nfs/dbraw/zinc/54/45/83/206544583.db2.gz VABOMGRPQBUJLX-UHFFFAOYSA-N 1 0 381.495 3.248 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000005215916 206600790 /nfs/dbraw/zinc/60/07/90/206600790.db2.gz DHCPFRUHUVHAOD-IBGZPJMESA-N 1 0 380.419 3.429 50 0 GGAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O ZINC000005240643 206601497 /nfs/dbraw/zinc/60/14/97/206601497.db2.gz JCBVWFUYCRCTJO-UHFFFAOYSA-N 1 0 378.900 3.271 50 0 GGAARO CCOC(=O)c1sc2nc(SCC[NH+]3CCCCC3)nc(N)c2c1C ZINC000006719045 206665548 /nfs/dbraw/zinc/66/55/48/206665548.db2.gz FXBXSPZOUABOLF-UHFFFAOYSA-N 1 0 380.539 3.337 50 0 GGAARO O=C(Cc1ccccn1)N1CC[C@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011938539 206845263 /nfs/dbraw/zinc/84/52/63/206845263.db2.gz ABFZHJNBLBPCCM-QFIPXVFZSA-N 1 0 377.532 3.427 50 0 GGAARO CC(=O)NCC[NH2+]Cc1cc2cc(C)ccc2nc1OCc1cccc(F)c1 ZINC000012247322 206875927 /nfs/dbraw/zinc/87/59/27/206875927.db2.gz VUJUYZNSGQDJLL-UHFFFAOYSA-N 1 0 381.451 3.487 50 0 GGAARO O=C(C[NH+]1CCCCC1)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000012302481 206882264 /nfs/dbraw/zinc/88/22/64/206882264.db2.gz XRHAEIIMQMGBMU-UHFFFAOYSA-N 1 0 392.425 3.466 50 0 GGAARO Cc1cccnc1CN(C)c1ccc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000012305860 206882303 /nfs/dbraw/zinc/88/23/03/206882303.db2.gz WCPCWWQSBJVDLQ-LJQANCHMSA-N 1 0 381.524 3.026 50 0 GGAARO COC(=O)CCC(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012320706 206884697 /nfs/dbraw/zinc/88/46/97/206884697.db2.gz XKTJYNJKVAYRDT-UHFFFAOYSA-N 1 0 387.524 3.018 50 0 GGAARO Cc1ccccc1Cn1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000012442385 206899963 /nfs/dbraw/zinc/89/99/63/206899963.db2.gz VUACHPZMYFCAPM-UHFFFAOYSA-N 1 0 389.503 3.161 50 0 GGAARO COCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012593835 206918589 /nfs/dbraw/zinc/91/85/89/206918589.db2.gz RUUIWDQWQRQSAO-JOCHJYFZSA-N 1 0 388.552 3.251 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCN1CCCO1 ZINC000012597077 206919953 /nfs/dbraw/zinc/91/99/53/206919953.db2.gz GMQXBGVDTDXCJB-UHFFFAOYSA-N 1 0 387.568 3.125 50 0 GGAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCCc1ccncc1 ZINC000012571551 206913373 /nfs/dbraw/zinc/91/33/73/206913373.db2.gz KLSQSLQATFMMHW-FQEVSTJZSA-N 1 0 385.483 3.203 50 0 GGAARO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013855793 207002218 /nfs/dbraw/zinc/00/22/18/207002218.db2.gz VVIGUQFXZVEPTM-SFHVURJKSA-N 1 0 395.463 3.122 50 0 GGAARO CCOC(=O)N1CCC([NH2+][C@H]2C(C)=C(C)C(=O)N2Cc2ccc(F)cc2)CC1 ZINC000013944086 207004113 /nfs/dbraw/zinc/00/41/13/207004113.db2.gz INKXNNDCBMGPFZ-LJQANCHMSA-N 1 0 389.471 3.041 50 0 GGAARO CC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC ZINC000014532123 207021423 /nfs/dbraw/zinc/02/14/23/207021423.db2.gz CZUMEZKHHNWEPC-SFHVURJKSA-N 1 0 386.540 3.179 50 0 GGAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cccs1)CC2 ZINC000014533128 207021894 /nfs/dbraw/zinc/02/18/94/207021894.db2.gz OROGXXCDZSREEG-UHFFFAOYSA-N 1 0 383.517 3.219 50 0 GGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000014542050 207024268 /nfs/dbraw/zinc/02/42/68/207024268.db2.gz WAEZWGLILFVCHT-QGZVFWFLSA-N 1 0 384.524 3.468 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccccc1F)CC2 ZINC000014541880 207024341 /nfs/dbraw/zinc/02/43/41/207024341.db2.gz JHCBETLAKZTRTB-INIZCTEOSA-N 1 0 396.466 3.072 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]C1CCCCCC1)CC2 ZINC000014535853 207024357 /nfs/dbraw/zinc/02/43/57/207024357.db2.gz ZXPUEQLZAQRSMC-QGZVFWFLSA-N 1 0 384.524 3.455 50 0 GGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000014731427 207026422 /nfs/dbraw/zinc/02/64/22/207026422.db2.gz NDUOSAXVKVBCQO-IBGZPJMESA-N 1 0 380.536 3.413 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCCc1ccncc1)C2 ZINC000014732468 207026532 /nfs/dbraw/zinc/02/65/32/207026532.db2.gz OFJZVYJPFUHGQX-LJQANCHMSA-N 1 0 395.551 3.004 50 0 GGAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014732012 207026769 /nfs/dbraw/zinc/02/67/69/207026769.db2.gz PXDNYYWMSLDQPW-UHFFFAOYSA-N 1 0 377.488 3.158 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000014732572 207026856 /nfs/dbraw/zinc/02/68/56/207026856.db2.gz YRGIRNOKWAQPIW-MRXNPFEDSA-N 1 0 386.565 3.280 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccc(F)cc1)CC2 ZINC000014741183 207027191 /nfs/dbraw/zinc/02/71/91/207027191.db2.gz AQCIWSOHXOGHBL-QGZVFWFLSA-N 1 0 396.466 3.072 50 0 GGAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014743204 207027298 /nfs/dbraw/zinc/02/72/98/207027298.db2.gz RAXZPTBAFSVFAO-FQEVSTJZSA-N 1 0 381.520 3.314 50 0 GGAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)C[N@@H+](Cc3ccncc3)C2)cn1 ZINC000014733354 207027325 /nfs/dbraw/zinc/02/73/25/207027325.db2.gz XWIADWARPFGNJH-LEWJYISDSA-N 1 0 396.535 3.074 50 0 GGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@H+](C)Cc1ccco1)CC2 ZINC000014746170 207027757 /nfs/dbraw/zinc/02/77/57/207027757.db2.gz TZZJZQSGRVBNOK-SFHVURJKSA-N 1 0 392.503 3.216 50 0 GGAARO Cc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1 ZINC000014744547 207027851 /nfs/dbraw/zinc/02/78/51/207027851.db2.gz FOLFTVRQCSYSHU-SFHVURJKSA-N 1 0 392.503 3.241 50 0 GGAARO CCC[N@H+](CC1CC1)[C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014745949 207027912 /nfs/dbraw/zinc/02/79/12/207027912.db2.gz FARWLUOPTGZMGV-INIZCTEOSA-N 1 0 386.565 3.391 50 0 GGAARO O=C(NCCc1ccccc1)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014742680 207028182 /nfs/dbraw/zinc/02/81/82/207028182.db2.gz ASHWNCRNKYYDGP-SIKLNZKXSA-N 1 0 378.516 3.139 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1F)C2 ZINC000014743385 207028231 /nfs/dbraw/zinc/02/82/31/207028231.db2.gz XLXODMNVXLHDNV-SFHVURJKSA-N 1 0 398.526 3.358 50 0 GGAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH+]1CCSCC1)CC2 ZINC000014744343 207028438 /nfs/dbraw/zinc/02/84/38/207028438.db2.gz ULDYNEYFUHYIEG-QGZVFWFLSA-N 1 0 390.597 3.071 50 0 GGAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000014742638 207028487 /nfs/dbraw/zinc/02/84/87/207028487.db2.gz NPBMXLWNPCDICJ-IBGZPJMESA-N 1 0 380.536 3.265 50 0 GGAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014744376 207028635 /nfs/dbraw/zinc/02/86/35/207028635.db2.gz FIZDFIVJNVYEDB-UHFFFAOYSA-N 1 0 387.524 3.360 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(C)cc1)C2 ZINC000014742142 207028651 /nfs/dbraw/zinc/02/86/51/207028651.db2.gz MNJOGSZUCGEYTC-GOSISDBHSA-N 1 0 398.576 3.048 50 0 GGAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccn1)C2 ZINC000014755748 207029333 /nfs/dbraw/zinc/02/93/33/207029333.db2.gz PFPHVQSOFKVIEK-LJQANCHMSA-N 1 0 395.551 3.004 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(OC)cc1)C2 ZINC000014750440 207028948 /nfs/dbraw/zinc/02/89/48/207028948.db2.gz RUMKORKNDRVDKU-SFHVURJKSA-N 1 0 396.535 3.185 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1C)C2 ZINC000014754203 207029033 /nfs/dbraw/zinc/02/90/33/207029033.db2.gz VWEOTIHWFOMANX-IBGZPJMESA-N 1 0 380.536 3.485 50 0 GGAARO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](CC(C)C)C1 ZINC000014748827 207029109 /nfs/dbraw/zinc/02/91/09/207029109.db2.gz XBHMERLASOXLJU-LEWJYISDSA-N 1 0 399.579 3.480 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@H]2CCOC2)CC1 ZINC000014953688 207033011 /nfs/dbraw/zinc/03/30/11/207033011.db2.gz FJMIPBXAOPZVBO-NRFANRHFSA-N 1 0 388.552 3.428 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(CSC)o1 ZINC000014954739 207033305 /nfs/dbraw/zinc/03/33/05/207033305.db2.gz QBNADIQWWGSYMD-UHFFFAOYSA-N 1 0 393.597 3.411 50 0 GGAARO O=C1CCCN1CCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000015002297 207040764 /nfs/dbraw/zinc/04/07/64/207040764.db2.gz RGQGKMBUFXVJKY-JOCHJYFZSA-N 1 0 393.531 3.323 50 0 GGAARO OCCOc1cccc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000014956514 207033621 /nfs/dbraw/zinc/03/36/21/207033621.db2.gz QHXRYVLTQSSXNP-QGZVFWFLSA-N 1 0 383.517 3.426 50 0 GGAARO OCCOc1cccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000014956519 207033985 /nfs/dbraw/zinc/03/39/85/207033985.db2.gz QHXRYVLTQSSXNP-KRWDZBQOSA-N 1 0 383.517 3.426 50 0 GGAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C34CC5CC(CC(C5)C3)C4)C2=O)c1 ZINC000014962455 207034199 /nfs/dbraw/zinc/03/41/99/207034199.db2.gz LXNCLJBMMLQZAS-RHFPOKSSSA-N 1 0 398.547 3.107 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cnccn2)CC1 ZINC000014964881 207034324 /nfs/dbraw/zinc/03/43/24/207034324.db2.gz WPPWTGOVMWPRAK-UHFFFAOYSA-N 1 0 396.535 3.496 50 0 GGAARO COC[C@@H]1CCN(C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)C1 ZINC000014965309 207034471 /nfs/dbraw/zinc/03/44/71/207034471.db2.gz JEUXMLSZZNLSTK-QGZVFWFLSA-N 1 0 390.524 3.055 50 0 GGAARO O=C1[C@@H]2C[C@@H](CN2C2CC[NH+](Cc3ccccc3)CC2)N1c1ccccc1F ZINC000014970925 207034491 /nfs/dbraw/zinc/03/44/91/207034491.db2.gz WGPTYGMSZNYKRZ-UGKGYDQZSA-N 1 0 379.479 3.280 50 0 GGAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000014968226 207035074 /nfs/dbraw/zinc/03/50/74/207035074.db2.gz DRUUVFPEBXTOLJ-FQEVSTJZSA-N 1 0 383.540 3.122 50 0 GGAARO O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014962516 207035496 /nfs/dbraw/zinc/03/54/96/207035496.db2.gz JLHXUCJPJZQIMS-IBGZPJMESA-N 1 0 383.536 3.336 50 0 GGAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccccc1)C3 ZINC000014971663 207036586 /nfs/dbraw/zinc/03/65/86/207036586.db2.gz MZEUPXHALAHXHU-INIZCTEOSA-N 1 0 383.517 3.142 50 0 GGAARO CSCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000014981523 207037958 /nfs/dbraw/zinc/03/79/58/207037958.db2.gz QGHWJTDYJRPQQP-GOSISDBHSA-N 1 0 381.973 3.206 50 0 GGAARO Cc1c(C[NH2+][C@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)cnn1C ZINC000014996103 207038099 /nfs/dbraw/zinc/03/80/99/207038099.db2.gz FIYBKWZOGOAAGS-INIZCTEOSA-N 1 0 399.564 3.193 50 0 GGAARO COC(=O)c1ccc(NC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)cc1 ZINC000014981565 207038203 /nfs/dbraw/zinc/03/82/03/207038203.db2.gz IANPAZSPGGTNRB-FQEVSTJZSA-N 1 0 396.491 3.039 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000014989458 207038429 /nfs/dbraw/zinc/03/84/29/207038429.db2.gz YADCSNCWONHLPW-IBGZPJMESA-N 1 0 392.507 3.145 50 0 GGAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000014981232 207038511 /nfs/dbraw/zinc/03/85/11/207038511.db2.gz DSNQKTCOKYPLNK-UHFFFAOYSA-N 1 0 395.503 3.034 50 0 GGAARO CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014991573 207038655 /nfs/dbraw/zinc/03/86/55/207038655.db2.gz FUMSJTSCTPUHLD-HXUWFJFHSA-N 1 0 381.524 3.350 50 0 GGAARO CC[NH+]1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1 ZINC000014995413 207038766 /nfs/dbraw/zinc/03/87/66/207038766.db2.gz PUHQLPBHISAZEY-JOCHJYFZSA-N 1 0 387.499 3.333 50 0 GGAARO CCc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)on1 ZINC000014980517 207038816 /nfs/dbraw/zinc/03/88/16/207038816.db2.gz XFTFMFAEXRMYJT-QFIPXVFZSA-N 1 0 383.492 3.374 50 0 GGAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1ccc(F)cc1F)CCO2 ZINC000014992797 207039096 /nfs/dbraw/zinc/03/90/96/207039096.db2.gz CXABZHZSDLCGCZ-OAQYLSRUSA-N 1 0 376.447 3.129 50 0 GGAARO CCc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014991575 207039336 /nfs/dbraw/zinc/03/93/36/207039336.db2.gz FUMSJTSCTPUHLD-FQEVSTJZSA-N 1 0 381.524 3.350 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)nn1 ZINC000014991833 207039397 /nfs/dbraw/zinc/03/93/97/207039397.db2.gz VAYYPHVITKDCQQ-INIZCTEOSA-N 1 0 375.904 3.251 50 0 GGAARO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)N2CCCCC2)C1 ZINC000014752511 207029485 /nfs/dbraw/zinc/02/94/85/207029485.db2.gz JIIGFMBSGRKDRK-MSOLQXFVSA-N 1 0 389.515 3.371 50 0 GGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]C1CCCC1)C2 ZINC000014747199 207029585 /nfs/dbraw/zinc/02/95/85/207029585.db2.gz QMOGXDAXYJTGGL-IBGZPJMESA-N 1 0 378.520 3.008 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014746892 207029651 /nfs/dbraw/zinc/02/96/51/207029651.db2.gz YOHQNNOUEJOUAG-GOSISDBHSA-N 1 0 396.535 3.185 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1cccc(F)c1)CC2 ZINC000014753151 207029989 /nfs/dbraw/zinc/02/99/89/207029989.db2.gz ZSPLYLVCKMSKAF-QGZVFWFLSA-N 1 0 396.466 3.072 50 0 GGAARO O=C1CCCN1CCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000015002300 207040632 /nfs/dbraw/zinc/04/06/32/207040632.db2.gz RGQGKMBUFXVJKY-QFIPXVFZSA-N 1 0 393.531 3.323 50 0 GGAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000014748521 207030262 /nfs/dbraw/zinc/03/02/62/207030262.db2.gz GDTBXVSTTCYZSB-UHFFFAOYSA-N 1 0 381.476 3.141 50 0 GGAARO COc1ccc(NC(=O)CCC2CC[NH+](C3CCOCC3)CC2)c(OC)c1 ZINC000015068815 207044891 /nfs/dbraw/zinc/04/48/91/207044891.db2.gz UXARNJBCMSDGTR-UHFFFAOYSA-N 1 0 376.497 3.314 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3ccoc3C)C2)cc1OC ZINC000015069049 207044991 /nfs/dbraw/zinc/04/49/91/207044991.db2.gz XHRQYASZKZLZSI-SFHVURJKSA-N 1 0 386.492 3.384 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccco1 ZINC000015071143 207045406 /nfs/dbraw/zinc/04/54/06/207045406.db2.gz RPHYUWTXNQWCKK-UHFFFAOYSA-N 1 0 386.492 3.289 50 0 GGAARO CCn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c(C)n1 ZINC000015075548 207045669 /nfs/dbraw/zinc/04/56/69/207045669.db2.gz XMLWGJBGWOVTMC-QHCPKHFHSA-N 1 0 396.535 3.235 50 0 GGAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000015079410 207045818 /nfs/dbraw/zinc/04/58/18/207045818.db2.gz JJAZEEOKHQVQRH-NRFANRHFSA-N 1 0 391.515 3.250 50 0 GGAARO COc1cc(C[C@H]2CC(C[NH2+]Cc3ccc(C)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081581 207046206 /nfs/dbraw/zinc/04/62/06/207046206.db2.gz FUGKVMFHVXQSHY-SFHVURJKSA-N 1 0 398.459 3.218 50 0 GGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000015080388 207046291 /nfs/dbraw/zinc/04/62/91/207046291.db2.gz NOYMGFWJBOBOLC-WSTZPKSXSA-N 1 0 396.487 3.173 50 0 GGAARO CCn1cc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074557 207046958 /nfs/dbraw/zinc/04/69/58/207046958.db2.gz BWTVJSRSLXVGIB-HXUWFJFHSA-N 1 0 396.579 3.231 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1ccccn1 ZINC000015064034 207042422 /nfs/dbraw/zinc/04/24/22/207042422.db2.gz YJJQXYCDSBYGIP-OAQYLSRUSA-N 1 0 395.547 3.436 50 0 GGAARO Cc1nnsc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015064769 207043069 /nfs/dbraw/zinc/04/30/69/207043069.db2.gz BEVJXVCRFSDPAX-SFHVURJKSA-N 1 0 392.569 3.122 50 0 GGAARO Cc1ccc(-n2cc(C[NH2+]C[C@H]3COCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015065712 207043321 /nfs/dbraw/zinc/04/33/21/207043321.db2.gz IZHNKFASLLPPIT-NRFANRHFSA-N 1 0 381.451 3.492 50 0 GGAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCNC(C)=O)c(C)o2)cc1 ZINC000015070873 207043946 /nfs/dbraw/zinc/04/39/46/207043946.db2.gz KYUZGBLMUOSRGN-IBGZPJMESA-N 1 0 399.491 3.317 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)C1=CCCC1 ZINC000015068859 207044027 /nfs/dbraw/zinc/04/40/27/207044027.db2.gz OAVZESYRDOMLMO-UHFFFAOYSA-N 1 0 386.536 3.493 50 0 GGAARO COc1cc(C)c(C[N@H+]2CCC(=O)N(CCOc3ccccc3)CC2)cc1C ZINC000015072945 207044521 /nfs/dbraw/zinc/04/45/21/207044521.db2.gz YRNVATNSKSMKNN-UHFFFAOYSA-N 1 0 382.504 3.425 50 0 GGAARO O=S(=O)(c1cc(F)ccc1F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017081056 207085678 /nfs/dbraw/zinc/08/56/78/207085678.db2.gz ZMFILDITLUMHNL-UHFFFAOYSA-N 1 0 396.503 3.240 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3C)CC2)[nH+]1 ZINC000017135843 207086698 /nfs/dbraw/zinc/08/66/98/207086698.db2.gz BKDFJMRGJZHIOD-UHFFFAOYSA-N 1 0 379.508 3.046 50 0 GGAARO CCOc1ccc(NC(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 ZINC000016972601 207081379 /nfs/dbraw/zinc/08/13/79/207081379.db2.gz KMOMFEATZWWMGD-UHFFFAOYSA-O 1 0 392.479 3.435 50 0 GGAARO COc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC000017079681 207084163 /nfs/dbraw/zinc/08/41/63/207084163.db2.gz HEAZPILOCZDUOK-UHFFFAOYSA-N 1 0 390.505 3.491 50 0 GGAARO CCc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000018240784 207096649 /nfs/dbraw/zinc/09/66/49/207096649.db2.gz JRDFBQLDWXTYEH-NRFANRHFSA-N 1 0 391.471 3.203 50 0 GGAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000018240780 207097061 /nfs/dbraw/zinc/09/70/61/207097061.db2.gz AECSWLKMWFZXCG-IBGZPJMESA-N 1 0 397.862 3.294 50 0 GGAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4Cl)C3=O)c2c1 ZINC000018240752 207097300 /nfs/dbraw/zinc/09/73/00/207097300.db2.gz JUVHBSSBSAGGNW-GOSISDBHSA-N 1 0 397.862 3.294 50 0 GGAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019225522 207109945 /nfs/dbraw/zinc/10/99/45/207109945.db2.gz HAGJZUPIDHZSTH-JOCHJYFZSA-N 1 0 394.494 3.285 50 0 GGAARO CSc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019225279 207110190 /nfs/dbraw/zinc/11/01/90/207110190.db2.gz LJPVWKNHGKJVHE-NRFANRHFSA-N 1 0 391.625 3.150 50 0 GGAARO COc1ccccc1N1CCN(c2ncccc2C[NH2+]C2CCSCC2)CC1 ZINC000019148970 207106430 /nfs/dbraw/zinc/10/64/30/207106430.db2.gz BKZXYPYRIIVUFN-UHFFFAOYSA-N 1 0 398.576 3.402 50 0 GGAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019225525 207108687 /nfs/dbraw/zinc/10/86/87/207108687.db2.gz HAGJZUPIDHZSTH-QFIPXVFZSA-N 1 0 394.494 3.285 50 0 GGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccc(F)cc32)C1 ZINC000019226267 207109142 /nfs/dbraw/zinc/10/91/42/207109142.db2.gz DCQOGFIVMYMEIY-KRWDZBQOSA-N 1 0 395.482 3.331 50 0 GGAARO C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@@H](n4ccnc4)C3)CC2)cc1 ZINC000019300499 207114389 /nfs/dbraw/zinc/11/43/89/207114389.db2.gz KWCSLOJBJUSRCR-XMSQKQJNSA-N 1 0 393.535 3.314 50 0 GGAARO C[NH+]1CCN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000019363250 207118085 /nfs/dbraw/zinc/11/80/85/207118085.db2.gz DPATXIOWAAARMH-GPUVRGFBSA-N 1 0 384.564 3.142 50 0 GGAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000019367152 207118227 /nfs/dbraw/zinc/11/82/27/207118227.db2.gz WXTCIMBFHFATLS-GBXCKJPGSA-N 1 0 397.563 3.006 50 0 GGAARO COc1cc(CCN2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1OC ZINC000019361104 207119036 /nfs/dbraw/zinc/11/90/36/207119036.db2.gz YUFUPTKTPNBQMW-UHFFFAOYSA-N 1 0 384.520 3.115 50 0 GGAARO c1ccc(C[NH+]2CCC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000019636571 207143850 /nfs/dbraw/zinc/14/38/50/207143850.db2.gz ZEQLSMXBCVKDBU-UHFFFAOYSA-N 1 0 393.531 3.198 50 0 GGAARO Cc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2CCO)o1 ZINC000019595283 207144096 /nfs/dbraw/zinc/14/40/96/207144096.db2.gz PMTSMFKRHVDVLB-QHCPKHFHSA-N 1 0 397.563 3.121 50 0 GGAARO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1C1CCCC1 ZINC000019745481 207157464 /nfs/dbraw/zinc/15/74/64/207157464.db2.gz IJYVOONOXRMBLR-HXUWFJFHSA-N 1 0 376.928 3.427 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccncc2)CN1Cc1cccc2ccccc21 ZINC000019744000 207158071 /nfs/dbraw/zinc/15/80/71/207158071.db2.gz LCOKIEDPSWUXBB-GMAHTHKFSA-N 1 0 388.515 3.104 50 0 GGAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]Cc1ccncc1)CC2 ZINC000019839752 207166176 /nfs/dbraw/zinc/16/61/76/207166176.db2.gz RWLVWCVJBWHCOU-LJQANCHMSA-N 1 0 395.551 3.207 50 0 GGAARO c1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)CCO5)C3)CC2)cc1 ZINC000019839138 207166182 /nfs/dbraw/zinc/16/61/82/207166182.db2.gz ABSGIMMRKBUYFI-HSZRJFAPSA-N 1 0 377.532 3.408 50 0 GGAARO COc1ccc(CN2CC[N@@H+](C3CCSCC3)C[C@@H]2CCO)c(C)c1C ZINC000019839386 207167006 /nfs/dbraw/zinc/16/70/06/207167006.db2.gz NBCVNIUPYTUBQC-FQEVSTJZSA-N 1 0 378.582 3.076 50 0 GGAARO CCOc1cccc(C[NH2+]CCN2CCOCC2)c1OCc1ccc(C)cc1 ZINC000019872379 207168248 /nfs/dbraw/zinc/16/82/48/207168248.db2.gz YNWHRXRUNROZLD-UHFFFAOYSA-N 1 0 384.520 3.395 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)c3nccn3C)C2)c(-c2ccccc2F)n1 ZINC000019792294 207160485 /nfs/dbraw/zinc/16/04/85/207160485.db2.gz OZAZOYPFNBRJAP-HNNXBMFYSA-N 1 0 381.455 3.055 50 0 GGAARO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc5nonc54)C3)CC2)cc1 ZINC000019792688 207161543 /nfs/dbraw/zinc/16/15/43/207161543.db2.gz SPIIWFJWBKDDJK-HXUWFJFHSA-N 1 0 395.482 3.149 50 0 GGAARO CC(C)C[N@@H+]1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@@H]1CCO ZINC000019770712 207161708 /nfs/dbraw/zinc/16/17/08/207161708.db2.gz OYSLVFNTDRXNFB-SFHVURJKSA-N 1 0 376.932 3.050 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(Cl)cc3)C[C@@H]2CCO)CC1 ZINC000019782135 207161802 /nfs/dbraw/zinc/16/18/02/207161802.db2.gz MDLWSWSDMXURMD-NRFANRHFSA-N 1 0 379.976 3.081 50 0 GGAARO COCc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)ccc1OC ZINC000019787240 207161960 /nfs/dbraw/zinc/16/19/60/207161960.db2.gz LOJVIANKDSGWRI-QHCPKHFHSA-N 1 0 398.547 3.219 50 0 GGAARO COc1cccc(C[NH2+]CCN2CCOCC2)c1OCc1ccccc1Cl ZINC000019872252 207168714 /nfs/dbraw/zinc/16/87/14/207168714.db2.gz SPYWQMNEWKYBBZ-UHFFFAOYSA-N 1 0 390.911 3.349 50 0 GGAARO CCOC(=O)c1c2c(sc1NC(=S)N1CCC[N@H+](C)CC1)C[C@H](C)CC2 ZINC000019797092 207162468 /nfs/dbraw/zinc/16/24/68/207162468.db2.gz CBBQZNNNYLHVMW-CYBMUJFWSA-N 1 0 395.594 3.384 50 0 GGAARO OCC[C@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@@H+]1CCc1ccccc1 ZINC000019794424 207162734 /nfs/dbraw/zinc/16/27/34/207162734.db2.gz IMDNMZHUUQBJGA-KRWDZBQOSA-N 1 0 378.438 3.215 50 0 GGAARO Nn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC[NH+]1CCCCC1 ZINC000019797133 207163290 /nfs/dbraw/zinc/16/32/90/207163290.db2.gz OMNVAYQTLNRPMN-UHFFFAOYSA-N 1 0 386.546 3.417 50 0 GGAARO C[C@H]1CCCc2sc3nc(SCC[NH+]4CCCCC4)n(N)c(=O)c3c21 ZINC000019797062 207163381 /nfs/dbraw/zinc/16/33/81/207163381.db2.gz KIWDIUKTFZNCME-LBPRGKRZSA-N 1 0 378.567 3.190 50 0 GGAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000019836456 207165203 /nfs/dbraw/zinc/16/52/03/207165203.db2.gz LWAOAGBIVNDVAD-LJQANCHMSA-N 1 0 391.650 3.430 50 0 GGAARO O=C(NCc1ccoc1)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]c(=O)c2)s1 ZINC000020109610 207176743 /nfs/dbraw/zinc/17/67/43/207176743.db2.gz ASJHISJYMGREAQ-INIZCTEOSA-N 1 0 383.473 3.297 50 0 GGAARO O[C@@H](COc1ccc2c(c1)CCC2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020109736 207177078 /nfs/dbraw/zinc/17/70/78/207177078.db2.gz UUTMSTNEGIYFBI-OAQYLSRUSA-N 1 0 386.923 3.391 50 0 GGAARO Cc1cc(Cl)c(OCCOCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000020117863 207178761 /nfs/dbraw/zinc/17/87/61/207178761.db2.gz IAMHQVZJPJVSBA-UHFFFAOYSA-N 1 0 391.737 3.054 50 0 GGAARO COc1ccccc1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019888715 207169068 /nfs/dbraw/zinc/16/90/68/207169068.db2.gz BQSUOECUCVKPAI-JXMROGBWSA-N 1 0 379.504 3.355 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2F)c2ccc(Cl)cc2)CC1 ZINC000019902119 207169387 /nfs/dbraw/zinc/16/93/87/207169387.db2.gz LBHFHTDJFMYFDE-IBGZPJMESA-N 1 0 375.875 3.198 50 0 GGAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccccc1Cl ZINC000019922796 207169898 /nfs/dbraw/zinc/16/98/98/207169898.db2.gz CIXVTQBZSGIERE-UHFFFAOYSA-N 1 0 390.911 3.349 50 0 GGAARO c1ccc(N2CCN([C@H]3CCC[N@H+](C4CSCCSC4)C3)CC2)cc1 ZINC000019940029 207171840 /nfs/dbraw/zinc/17/18/40/207171840.db2.gz YUGXEEFKCVPQQY-IBGZPJMESA-N 1 0 377.623 3.122 50 0 GGAARO CC(C)Cc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)[nH]n1 ZINC000019939105 207172107 /nfs/dbraw/zinc/17/21/07/207172107.db2.gz ONPBRVXMZURLJQ-QHCPKHFHSA-N 1 0 381.568 3.395 50 0 GGAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCN(c3ccccc3F)CC1)c(C)n2C ZINC000019939633 207172205 /nfs/dbraw/zinc/17/22/05/207172205.db2.gz XQXCWJYUGYADLT-QFIPXVFZSA-N 1 0 397.494 3.490 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000019953893 207172608 /nfs/dbraw/zinc/17/26/08/207172608.db2.gz USAGQCMCISIMJM-BEFAXECRSA-N 1 0 393.865 3.097 50 0 GGAARO Nc1cc(N)[nH+]c(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 ZINC000019957152 207173349 /nfs/dbraw/zinc/17/33/49/207173349.db2.gz XKLGCYUFORURQV-UHFFFAOYSA-N 1 0 377.473 3.197 50 0 GGAARO CCn1c2ccccc2c2ccc(NC(=O)CSc3nc(N)cc(N)[nH+]3)cc21 ZINC000019957121 207173544 /nfs/dbraw/zinc/17/35/44/207173544.db2.gz XRWIITNEMFINEJ-UHFFFAOYSA-N 1 0 392.488 3.500 50 0 GGAARO CCOc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1cccs1 ZINC000020176051 207181444 /nfs/dbraw/zinc/18/14/44/207181444.db2.gz WJHJRIZAJNZRQS-UHFFFAOYSA-N 1 0 376.522 3.148 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c(F)c1 ZINC000020209122 207184114 /nfs/dbraw/zinc/18/41/14/207184114.db2.gz LAFVDMZDNKVBLI-IBGZPJMESA-N 1 0 397.494 3.384 50 0 GGAARO Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1C[C@@H](CO)N(C)[C@H]1c1ccccc1F ZINC000020209178 207184271 /nfs/dbraw/zinc/18/42/71/207184271.db2.gz CSBWIWMEDWOQPU-KGVIQGDOSA-N 1 0 388.531 3.363 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3OC)C[C@@H]2CCO)cc1C ZINC000020295077 207187160 /nfs/dbraw/zinc/18/71/60/207187160.db2.gz ZYYGVHIVVICNTF-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO CC[NH+]1CCN(CCOCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020406558 207191365 /nfs/dbraw/zinc/19/13/65/207191365.db2.gz DUAQIVPBGCHEJP-UHFFFAOYSA-N 1 0 384.520 3.299 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)cc1C ZINC000020452584 207192719 /nfs/dbraw/zinc/19/27/19/207192719.db2.gz UMDLWZUXVZAGRT-IBGZPJMESA-N 1 0 390.474 3.351 50 0 GGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)CC1 ZINC000020450271 207192807 /nfs/dbraw/zinc/19/28/07/207192807.db2.gz RRLKGRFPJIGWSE-FQEVSTJZSA-N 1 0 397.567 3.328 50 0 GGAARO Cc1cccc(-c2ncc(CN3CC[N@@H+](CCC(C)C)[C@@H](CCO)C3)cn2)c1 ZINC000020450957 207192902 /nfs/dbraw/zinc/19/29/02/207192902.db2.gz NOQKYEXBKXATCH-QFIPXVFZSA-N 1 0 382.552 3.367 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1CC1CCCCC1 ZINC000020449876 207193202 /nfs/dbraw/zinc/19/32/02/207193202.db2.gz ISZVBDCKFDBOKP-IBGZPJMESA-N 1 0 388.581 3.383 50 0 GGAARO c1ccc(CCc2nnc3n2CC[N@@H+](Cc2ccc4nccnc4c2)CC3)cc1 ZINC000020450055 207193264 /nfs/dbraw/zinc/19/32/64/207193264.db2.gz FRAYUBQHJSSUTP-UHFFFAOYSA-N 1 0 384.487 3.065 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(O)c3)C[C@@H]2CCO)c(C)c1C ZINC000020452602 207193440 /nfs/dbraw/zinc/19/34/40/207193440.db2.gz NSCSYUUUVCTZCB-NRFANRHFSA-N 1 0 384.520 3.086 50 0 GGAARO OCC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@@H+]1C1CCCCC1 ZINC000020455305 207194496 /nfs/dbraw/zinc/19/44/96/207194496.db2.gz SFQFEAOEZWLWDJ-QFIPXVFZSA-N 1 0 386.515 3.213 50 0 GGAARO COc1ccc(/C=C/CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020455062 207194636 /nfs/dbraw/zinc/19/46/36/207194636.db2.gz GWUDYLAZZJONIT-GPVJQRHHSA-N 1 0 380.532 3.320 50 0 GGAARO CC(C)[NH+]1CCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)CC1 ZINC000020454481 207195420 /nfs/dbraw/zinc/19/54/20/207195420.db2.gz WXVWAEAFQWXMDH-UHFFFAOYSA-N 1 0 379.464 3.241 50 0 GGAARO O=C(COCc1cc(-c2cccs2)on1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020479888 207196148 /nfs/dbraw/zinc/19/61/48/207196148.db2.gz WDWJSBMKAWDAKR-UHFFFAOYSA-N 1 0 389.521 3.397 50 0 GGAARO COCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@H](C)c3ccncc3)cc2)n1 ZINC000020637051 207208780 /nfs/dbraw/zinc/20/87/80/207208780.db2.gz UMTOSSXYCXGVNQ-MRXNPFEDSA-N 1 0 378.476 3.214 50 0 GGAARO COc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)cc1OC ZINC000020515086 207200211 /nfs/dbraw/zinc/20/02/11/207200211.db2.gz WPKBUSWSJRQOLW-FQEVSTJZSA-N 1 0 376.541 3.153 50 0 GGAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO ZINC000020534514 207200430 /nfs/dbraw/zinc/20/04/30/207200430.db2.gz BANDXHFOURWUCY-FQEVSTJZSA-N 1 0 384.524 3.184 50 0 GGAARO O=C1O[C@@H]2C[N@H+](C3CSCCSC3)C[C@@H]2N1CCc1cccc(Cl)c1 ZINC000020534601 207200575 /nfs/dbraw/zinc/20/05/75/207200575.db2.gz MTHXGIROOIJOTJ-DLBZAZTESA-N 1 0 398.981 3.236 50 0 GGAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020543146 207202409 /nfs/dbraw/zinc/20/24/09/207202409.db2.gz VABSPAUUJAWYSA-KRWDZBQOSA-N 1 0 397.485 3.472 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000020540634 207203234 /nfs/dbraw/zinc/20/32/34/207203234.db2.gz ITIUJPSSMOQLQY-IBGZPJMESA-N 1 0 386.565 3.076 50 0 GGAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4cccs4)nc3c12 ZINC000020589629 207204441 /nfs/dbraw/zinc/20/44/41/207204441.db2.gz JORZDYUHQZZTKK-UHFFFAOYSA-N 1 0 396.520 3.147 50 0 GGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c(C)c1 ZINC000020781017 207214777 /nfs/dbraw/zinc/21/47/77/207214777.db2.gz OPCGENLGWAHKSZ-QGZVFWFLSA-N 1 0 393.491 3.037 50 0 GGAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1CCO ZINC000020780115 207215169 /nfs/dbraw/zinc/21/51/69/207215169.db2.gz BOBNEEVXRCQNAM-FQEVSTJZSA-N 1 0 390.959 3.440 50 0 GGAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020910178 207220035 /nfs/dbraw/zinc/22/00/35/207220035.db2.gz TYVPJOSFWBKBBE-XMMPIXPASA-N 1 0 392.547 3.432 50 0 GGAARO CN(CC[NH+]1CCCCC1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020993353 207222726 /nfs/dbraw/zinc/22/27/26/207222726.db2.gz ZUKCMNPFYWIYLT-UHFFFAOYSA-N 1 0 394.475 3.360 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020992907 207222855 /nfs/dbraw/zinc/22/28/55/207222855.db2.gz CIROZQBCSQEPNE-MRXNPFEDSA-N 1 0 380.448 3.016 50 0 GGAARO OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000020999528 207223053 /nfs/dbraw/zinc/22/30/53/207223053.db2.gz CMWJSWMAXSPJIJ-SFHVURJKSA-N 1 0 388.895 3.138 50 0 GGAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000020999363 207223116 /nfs/dbraw/zinc/22/31/16/207223116.db2.gz NJKWPSMSYLIFMO-UHFFFAOYSA-N 1 0 392.503 3.139 50 0 GGAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000020998504 207223397 /nfs/dbraw/zinc/22/33/97/207223397.db2.gz WHBDTPCGHRUURA-QFIPXVFZSA-N 1 0 376.504 3.146 50 0 GGAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020996310 207223454 /nfs/dbraw/zinc/22/34/54/207223454.db2.gz XGINSEBYILGQLS-FQEVSTJZSA-N 1 0 396.560 3.311 50 0 GGAARO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4c[nH]cn4)C3)CC2)c1 ZINC000020993868 207223505 /nfs/dbraw/zinc/22/35/05/207223505.db2.gz YFXIEAQWLLZFBD-LJQANCHMSA-N 1 0 393.457 3.215 50 0 GGAARO OCC[C@@H]1C[N@H+](Cc2cccc3cnccc32)CCN1Cc1ccc(F)cc1 ZINC000020997643 207223640 /nfs/dbraw/zinc/22/36/40/207223640.db2.gz ASXSVPUGQUBXOZ-JOCHJYFZSA-N 1 0 379.479 3.443 50 0 GGAARO Cc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793729 207237570 /nfs/dbraw/zinc/23/75/70/207237570.db2.gz PACKSFYWQLNGIP-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795157 207237585 /nfs/dbraw/zinc/23/75/85/207237585.db2.gz CIADUKXGGZWUKG-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO Cc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793644 207238247 /nfs/dbraw/zinc/23/82/47/207238247.db2.gz UDGOGMZFQUDPTD-UHFFFAOYSA-N 1 0 385.899 3.001 50 0 GGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914478 207262921 /nfs/dbraw/zinc/26/29/21/207262921.db2.gz QPXLVBXDQLNQKL-QHCPKHFHSA-N 1 0 393.531 3.260 50 0 GGAARO C/C=C/c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022836296 207263184 /nfs/dbraw/zinc/26/31/84/207263184.db2.gz GXTSPQLTLPKKOH-RJOTYRNVSA-N 1 0 396.531 3.286 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2Cc3ccccc3CN2C)c(F)c1 ZINC000023095258 207268637 /nfs/dbraw/zinc/26/86/37/207268637.db2.gz DFBHQXNFPWGJPM-SFHVURJKSA-N 1 0 380.467 3.371 50 0 GGAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCc2cn[nH]c2)Cc2ccccc2C1 ZINC000023128863 207269262 /nfs/dbraw/zinc/26/92/62/207269262.db2.gz UFJLALHLOZHIQD-UHFFFAOYSA-N 1 0 388.515 3.128 50 0 GGAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCc1cccnc1 ZINC000023128404 207269921 /nfs/dbraw/zinc/26/99/21/207269921.db2.gz LBGKQZSCBPAMTJ-UHFFFAOYSA-N 1 0 399.498 3.334 50 0 GGAARO Cc1ccc2c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1C ZINC000023127129 207270043 /nfs/dbraw/zinc/27/00/43/207270043.db2.gz BCDYEECJAUMWDJ-AEFFLSMTSA-N 1 0 376.456 3.191 50 0 biogenic GGAARO O=c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2cc3c(cc2o1)CCC3 ZINC000023127134 207270425 /nfs/dbraw/zinc/27/04/25/207270425.db2.gz ORMVGDXWHFURNS-BEFAXECRSA-N 1 0 388.467 3.063 50 0 biogenic GGAARO CCOc1cccc(C[NH2+]CCN2CCOCC2)c1OCc1ccc(F)cc1 ZINC000023288733 207272215 /nfs/dbraw/zinc/27/22/15/207272215.db2.gz UGKSKJCXJSEUHC-UHFFFAOYSA-N 1 0 388.483 3.225 50 0 GGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000023311154 207273496 /nfs/dbraw/zinc/27/34/96/207273496.db2.gz CTXZGAMAUFLVFI-UHFFFAOYSA-N 1 0 395.503 3.370 50 0 GGAARO Cc1cc(C)n(-c2ccc(N3CCC([NH2+]CCCn4cccn4)CC3)cc2)n1 ZINC000023431755 207277364 /nfs/dbraw/zinc/27/73/64/207277364.db2.gz JVPPKTJTGAUVHU-UHFFFAOYSA-N 1 0 378.524 3.334 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccccc1Cl ZINC000023362330 207274552 /nfs/dbraw/zinc/27/45/52/207274552.db2.gz JLEXECABSWMOSY-LPHOPBHVSA-N 1 0 393.865 3.097 50 0 GGAARO CC(C)(C[NH2+][C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)CN1CCOCC1 ZINC000023358431 207275027 /nfs/dbraw/zinc/27/50/27/207275027.db2.gz XNINVBYWUOIZMY-HXUWFJFHSA-N 1 0 379.976 3.252 50 0 GGAARO CC(C)CN1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C[C@H]1C(=O)NC(C)C ZINC000023362885 207275069 /nfs/dbraw/zinc/27/50/69/207275069.db2.gz ZFSFBGBPFXXXAQ-AEFFLSMTSA-N 1 0 385.474 3.419 50 0 GGAARO COc1cccc(-c2ccc(N3CCC([N@@H+]4CCNC(=O)CC4)CC3)cc2)c1 ZINC000023339612 207275124 /nfs/dbraw/zinc/27/51/24/207275124.db2.gz QLNNMZPPOHXUSS-UHFFFAOYSA-N 1 0 379.504 3.153 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CN1C1Cc2ccccc2C1 ZINC000023363195 207275390 /nfs/dbraw/zinc/27/53/90/207275390.db2.gz PHZWBUINAZXAEH-RDGATRHJSA-N 1 0 399.538 3.286 50 0 GGAARO C[NH+](C)C1(CNC(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)CCCCC1 ZINC000023337416 207275526 /nfs/dbraw/zinc/27/55/26/207275526.db2.gz RDYVJCAGHZOKCF-UHFFFAOYSA-N 1 0 393.894 3.113 50 0 GGAARO Cc1cc(C)c(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000023360405 207275874 /nfs/dbraw/zinc/27/58/74/207275874.db2.gz LGLVMDOJIFYNHZ-FQEVSTJZSA-N 1 0 384.568 3.404 50 0 GGAARO CCn1ccnc1CN1CCC[C@@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023373379 207276001 /nfs/dbraw/zinc/27/60/01/207276001.db2.gz XPTIYWRWNCKLBW-LJQANCHMSA-N 1 0 386.540 3.059 50 0 GGAARO C[NH2+]C1CCN(Cc2cccc(-c3nc(-c4cc(C)oc4C)cc(=O)[nH]3)c2)CC1 ZINC000023379746 207276719 /nfs/dbraw/zinc/27/67/19/207276719.db2.gz VHMCEQCXVHNPLU-UHFFFAOYSA-N 1 0 392.503 3.498 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1OC ZINC000023374983 207276784 /nfs/dbraw/zinc/27/67/84/207276784.db2.gz VPFWSFLFHGHPTQ-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO CCOc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccc(C)cc1 ZINC000022933524 207264697 /nfs/dbraw/zinc/26/46/97/207264697.db2.gz SHKLBYLNVMSPEI-UHFFFAOYSA-N 1 0 384.520 3.395 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1CCO ZINC000022920012 207265270 /nfs/dbraw/zinc/26/52/70/207265270.db2.gz KWROQVOIGGGDAD-IBGZPJMESA-N 1 0 385.577 3.399 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1CCO ZINC000022919126 207265503 /nfs/dbraw/zinc/26/55/03/207265503.db2.gz QNZHWOVYHKGTOY-DEOSSOPVSA-N 1 0 390.531 3.250 50 0 GGAARO CN(C)CC[N@H+](C)[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919008 207265603 /nfs/dbraw/zinc/26/56/03/207265603.db2.gz FURXCVMTIPSCDD-SFHVURJKSA-N 1 0 376.545 3.407 50 0 GGAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306390 207287824 /nfs/dbraw/zinc/28/78/24/207287824.db2.gz QKBXNNLXYRSJBR-FQEVSTJZSA-N 1 0 376.932 3.230 50 0 GGAARO OCCN1CC[NH+](C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CC1 ZINC000023431437 207278732 /nfs/dbraw/zinc/27/87/32/207278732.db2.gz YLHPYJBLLMECMY-UHFFFAOYSA-N 1 0 383.511 3.071 50 0 GGAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1(c2ccccc2)CCOCC1 ZINC000025015161 207298591 /nfs/dbraw/zinc/29/85/91/207298591.db2.gz QFVKFYAZMXMFFW-UHFFFAOYSA-N 1 0 378.516 3.299 50 0 GGAARO CC[NH+]1CCN(C2(CNC(=O)c3ccc(Br)o3)CCCCC2)CC1 ZINC000028293538 207339759 /nfs/dbraw/zinc/33/97/59/207339759.db2.gz DGFZFRPZVYYINS-UHFFFAOYSA-N 1 0 398.345 3.112 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)COc3cc(C)cc(C)c3)CCCCC2)CC1 ZINC000028403244 207341509 /nfs/dbraw/zinc/34/15/09/207341509.db2.gz MIUNYNGNGOOSIS-UHFFFAOYSA-N 1 0 387.568 3.139 50 0 GGAARO CC1(C)CC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC(C)(C)[NH2+]1 ZINC000032096658 207393565 /nfs/dbraw/zinc/39/35/65/207393565.db2.gz MDCRCRMPXOFITN-ZDUSSCGKSA-N 1 0 377.916 3.118 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 ZINC000032576336 207396506 /nfs/dbraw/zinc/39/65/06/207396506.db2.gz XZXVXMKHDPZYJU-LPHOPBHVSA-N 1 0 393.865 3.097 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000032517915 207397988 /nfs/dbraw/zinc/39/79/88/207397988.db2.gz XDLKNKRRWCAIMZ-PMACEKPBSA-N 1 0 389.902 3.348 50 0 GGAARO O=C(Nc1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)co1)c1ccsc1 ZINC000070638717 207539441 /nfs/dbraw/zinc/53/94/41/207539441.db2.gz LEUWPEKGZCKQLC-UHFFFAOYSA-N 1 0 388.493 3.079 50 0 GGAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000070922194 207540627 /nfs/dbraw/zinc/54/06/27/207540627.db2.gz BDEZMYCLYVASQH-UHFFFAOYSA-N 1 0 385.533 3.155 50 0 GGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1ccncc1)C2 ZINC000014532523 207781260 /nfs/dbraw/zinc/78/12/60/207781260.db2.gz KORJZDYTQKEAET-IBGZPJMESA-N 1 0 395.551 3.004 50 0 GGAARO CCc1ccc(Nc2nn[nH]c2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000067284154 207883724 /nfs/dbraw/zinc/88/37/24/207883724.db2.gz OSEVRCRIMQNBPL-UHFFFAOYSA-N 1 0 382.512 3.201 50 0 GGAARO CC(C)([NH3+])C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067758594 207905373 /nfs/dbraw/zinc/90/53/73/207905373.db2.gz FHJKTXHGUXQPQO-UHFFFAOYSA-N 1 0 375.472 3.477 50 0 GGAARO [NH3+]C1CCN(c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)CC1 ZINC000067820571 207909394 /nfs/dbraw/zinc/90/93/94/207909394.db2.gz WFYPRHLBYXEWCC-LJQANCHMSA-N 1 0 378.520 3.419 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCCCCCCC3)C2=O)c1 ZINC000067821799 207909483 /nfs/dbraw/zinc/90/94/83/207909483.db2.gz PDPWILVLTPYWBW-QFIPXVFZSA-N 1 0 392.515 3.344 50 0 GGAARO O=C([C@H]1CCC[NH2+]1)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067867705 207911695 /nfs/dbraw/zinc/91/16/95/207911695.db2.gz AUWALTHNDUVKEW-OAQYLSRUSA-N 1 0 386.499 3.227 50 0 GGAARO CCCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071721414 207945602 /nfs/dbraw/zinc/94/56/02/207945602.db2.gz BOBWYRRFZAHLFP-OAQYLSRUSA-N 1 0 399.579 3.239 50 0 GGAARO O=c1n(Cc2ccc3ccccc3n2)nc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000071748720 207947404 /nfs/dbraw/zinc/94/74/04/207947404.db2.gz ZXDOZBJSQFBSMY-UHFFFAOYSA-N 1 0 399.498 3.157 50 0 GGAARO C[C@H](NC(=O)c1coc(COc2cccc3cnccc32)n1)C1CC[NH+](C)CC1 ZINC000067908994 207916247 /nfs/dbraw/zinc/91/62/47/207916247.db2.gz VZWGGHQHKOLMOL-HNNXBMFYSA-N 1 0 394.475 3.262 50 0 GGAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCN1N=C(c3ccccc3)CCC1=O)CC2 ZINC000067956299 207919602 /nfs/dbraw/zinc/91/96/02/207919602.db2.gz RDOBYDHXKCROIS-FQEVSTJZSA-N 1 0 377.488 3.169 50 0 GGAARO [NH3+]CCCC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067954594 207919874 /nfs/dbraw/zinc/91/98/74/207919874.db2.gz NWSGPKRZWSGHJR-UHFFFAOYSA-N 1 0 383.473 3.129 50 0 GGAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2cccc(-c3ccccc3)c2)c1=O ZINC000071775670 207959500 /nfs/dbraw/zinc/95/95/00/207959500.db2.gz KWPDRTLIWAZWCP-UHFFFAOYSA-N 1 0 376.504 3.322 50 0 GGAARO O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072129169 207972935 /nfs/dbraw/zinc/97/29/35/207972935.db2.gz IOYAFLHPQUELOU-IOMROCGXSA-N 1 0 380.467 3.129 50 0 GGAARO OCCOc1cccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072163876 207986263 /nfs/dbraw/zinc/98/62/63/207986263.db2.gz ZCWZZHLGRKAOIJ-RBZQAINGSA-N 1 0 396.506 3.259 50 0 GGAARO COCc1ncc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)cn1 ZINC000077515654 208048633 /nfs/dbraw/zinc/04/86/33/208048633.db2.gz UEPUEBSACWQSRL-LJQANCHMSA-N 1 0 377.492 3.317 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000077524107 208049590 /nfs/dbraw/zinc/04/95/90/208049590.db2.gz HNKLZZFFMRWJNP-UHFFFAOYSA-N 1 0 380.414 3.304 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(c3nc4ccccc4o3)C[C@@H]2CCO)cc1C ZINC000072407003 208017208 /nfs/dbraw/zinc/01/72/08/208017208.db2.gz RTIXGVPVPHOJBP-SFHVURJKSA-N 1 0 381.476 3.218 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC(=O)NC[C@@H]2C)c1 ZINC000072421911 208017808 /nfs/dbraw/zinc/01/78/08/208017808.db2.gz VGNAHJQRHYAKCI-KRWDZBQOSA-N 1 0 390.487 3.258 50 0 GGAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)c(C)cc1Br ZINC000072414635 208017872 /nfs/dbraw/zinc/01/78/72/208017872.db2.gz VYJKYMORCVZHFN-UHFFFAOYSA-N 1 0 377.348 3.076 50 0 GGAARO COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1C[N@H+](C)CCO ZINC000072419008 208017937 /nfs/dbraw/zinc/01/79/37/208017937.db2.gz NOYYFSFIDHELLJ-UHFFFAOYSA-N 1 0 382.460 3.352 50 0 GGAARO CC(C)Nc1ncc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000072419652 208018030 /nfs/dbraw/zinc/01/80/30/208018030.db2.gz YTXGRHMHMNNIAB-UHFFFAOYSA-N 1 0 381.524 3.078 50 0 GGAARO C[C@@H](CN1CC2(CC[NH+](Cc3cccnc3N)CC2)OC1=O)c1ccccc1 ZINC000072418628 208019186 /nfs/dbraw/zinc/01/91/86/208019186.db2.gz ULVQAHOXNZDQPN-KRWDZBQOSA-N 1 0 380.492 3.254 50 0 GGAARO O[C@@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)c1cc2ccccc2s1 ZINC000072419414 208019500 /nfs/dbraw/zinc/01/95/00/208019500.db2.gz NWXURFDEULNYQF-KRWDZBQOSA-N 1 0 379.489 3.188 50 0 GGAARO O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072421081 208019606 /nfs/dbraw/zinc/01/96/06/208019606.db2.gz BCFNYRDLNNSFAN-XJKSGUPXSA-N 1 0 378.929 3.180 50 0 GGAARO CN1CC2(CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)OC1=O ZINC000072419454 208020575 /nfs/dbraw/zinc/02/05/75/208020575.db2.gz DJBDYFRHBQVPOQ-UHFFFAOYSA-N 1 0 376.460 3.418 50 0 GGAARO c1cn(-c2ccc(N3CCCCCC3)nc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072410631 208020591 /nfs/dbraw/zinc/02/05/91/208020591.db2.gz NYDAJBCNIJKASK-UHFFFAOYSA-N 1 0 377.496 3.005 50 0 GGAARO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 ZINC000072418004 208020692 /nfs/dbraw/zinc/02/06/92/208020692.db2.gz CAJJHUOZBAOQJE-QHCPKHFHSA-N 1 0 378.520 3.444 50 0 GGAARO CCCc1ncncc1C(=O)N(C)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072427924 208021260 /nfs/dbraw/zinc/02/12/60/208021260.db2.gz XJKURQURVWPPQF-IBGZPJMESA-N 1 0 378.520 3.133 50 0 GGAARO CS(=O)(=O)c1cnc(NCc2cccc3ccccc32)nc1[C@H]1CCC[NH2+]C1 ZINC000072424793 208022002 /nfs/dbraw/zinc/02/20/02/208022002.db2.gz BXIGDVQBLXEFFP-KRWDZBQOSA-N 1 0 396.516 3.112 50 0 GGAARO CCOc1ccc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)cc1Cl ZINC000072423827 208023396 /nfs/dbraw/zinc/02/33/96/208023396.db2.gz HJKOFLYPPQUFSI-HNNXBMFYSA-N 1 0 380.916 3.312 50 0 GGAARO COCC[N@@H+]1CCC[C@H](CNc2cc(-c3ccccc3)nc3cc(C)nn32)C1 ZINC000072434341 208023741 /nfs/dbraw/zinc/02/37/41/208023741.db2.gz GFJYJEIANNVXMM-GOSISDBHSA-N 1 0 379.508 3.475 50 0 GGAARO Cc1ccc2nc(-c3ccc(F)cc3)c(CN3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2c1 ZINC000072435434 208025494 /nfs/dbraw/zinc/02/54/94/208025494.db2.gz CSCQZRJEVBIJDL-VXKWHMMOSA-N 1 0 379.479 3.456 50 0 GGAARO c1cn(Cc2csc(-c3ccccc3)n2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072436271 208025591 /nfs/dbraw/zinc/02/55/91/208025591.db2.gz HRKJHIZSVJCHKG-UHFFFAOYSA-N 1 0 376.489 3.412 50 0 GGAARO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072456809 208026332 /nfs/dbraw/zinc/02/63/32/208026332.db2.gz JCLBAFAYRZCAOW-KSEOMHKRSA-N 1 0 378.520 3.048 50 0 GGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2=O)c1OC ZINC000072458700 208027015 /nfs/dbraw/zinc/02/70/15/208027015.db2.gz CNRNXHIUYYBKSS-QFIPXVFZSA-N 1 0 384.476 3.312 50 0 GGAARO O[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C1 ZINC000072473438 208030092 /nfs/dbraw/zinc/03/00/92/208030092.db2.gz WZEAGMDLUGZTBU-JOCHJYFZSA-N 1 0 381.520 3.082 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1 ZINC000072473593 208030543 /nfs/dbraw/zinc/03/05/43/208030543.db2.gz PGQIDNGUYWUUHU-HXUWFJFHSA-N 1 0 390.487 3.258 50 0 GGAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCC[C@H]2C(N)=O)OCO4)c1 ZINC000072476005 208030681 /nfs/dbraw/zinc/03/06/81/208030681.db2.gz UMORHQFHLXEAKR-IBGZPJMESA-N 1 0 389.455 3.389 50 0 GGAARO O=C(c1nc2ccccn2c1F)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077319749 208038261 /nfs/dbraw/zinc/03/82/61/208038261.db2.gz FOYHCQXZRBSXKX-UHFFFAOYSA-N 1 0 380.467 3.254 50 0 GGAARO CC(C)Cn1c(CC2(CC(=O)NC3CC[NH2+]CC3)CCCC2)nc2cccnc21 ZINC000077320225 208039706 /nfs/dbraw/zinc/03/97/06/208039706.db2.gz DHACYBDTEJQECX-UHFFFAOYSA-N 1 0 397.567 3.449 50 0 GGAARO CC(C)Cn1c(CC2(CC(=O)N3CC[NH2+]CC3)CCCC2)nc2cccnc21 ZINC000077358327 208040354 /nfs/dbraw/zinc/04/03/54/208040354.db2.gz LIFQUXPASKIMKI-UHFFFAOYSA-N 1 0 383.540 3.012 50 0 GGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2c(C)noc2C)CC3)c1 ZINC000077386460 208041659 /nfs/dbraw/zinc/04/16/59/208041659.db2.gz JBIZXNYRIZLVDY-UHFFFAOYSA-N 1 0 383.492 3.315 50 0 GGAARO COc1cccc(C)c1C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000077394281 208042101 /nfs/dbraw/zinc/04/21/01/208042101.db2.gz XDESQWZPEQRIPC-UHFFFAOYSA-N 1 0 382.508 3.278 50 0 GGAARO CC1(C)CCCN1C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087588 208076793 /nfs/dbraw/zinc/07/67/93/208076793.db2.gz JWYDBBOTQNUITQ-HXUWFJFHSA-N 1 0 384.568 3.159 50 0 GGAARO O=C(CC[NH+]1CCCC1)Nc1cc2c(cc1C(=O)c1cccc(F)c1)OCCO2 ZINC000080340198 208077871 /nfs/dbraw/zinc/07/78/71/208077871.db2.gz WVZDZFIVJAOUGY-UHFFFAOYSA-N 1 0 398.434 3.252 50 0 GGAARO CC(C)CC1(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082107818 208078627 /nfs/dbraw/zinc/07/86/27/208078627.db2.gz QBQIAJBTTWYKKL-OAQYLSRUSA-N 1 0 398.595 3.453 50 0 GGAARO CCCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CC1 ZINC000082097462 208078785 /nfs/dbraw/zinc/07/87/85/208078785.db2.gz IHAAJOSCAKMYPQ-FQEVSTJZSA-N 1 0 384.568 3.159 50 0 GGAARO CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082107993 208079029 /nfs/dbraw/zinc/07/90/29/208079029.db2.gz XJABQJZRWVQPJA-OAQYLSRUSA-N 1 0 384.568 3.017 50 0 GGAARO CN(C)C(=O)NCc1cc2n(n1)CCC[N@H+](Cc1cccc3ccccc31)C2 ZINC000082120096 208079883 /nfs/dbraw/zinc/07/98/83/208079883.db2.gz MVFLMFWVMCOXOT-UHFFFAOYSA-N 1 0 377.492 3.213 50 0 GGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)CCc3ccc(F)c(F)c3)cc2C1 ZINC000082097094 208079935 /nfs/dbraw/zinc/07/99/35/208079935.db2.gz JQASBPYAHNDZDQ-UHFFFAOYSA-N 1 0 376.451 3.026 50 0 GGAARO O=C(NCCC1CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082107763 208080900 /nfs/dbraw/zinc/08/09/00/208080900.db2.gz PJVLFAPBKMWLCT-QFIPXVFZSA-N 1 0 398.595 3.455 50 0 GGAARO O=C(NCC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082139178 208081720 /nfs/dbraw/zinc/08/17/20/208081720.db2.gz MBDFXGATXUDIFN-JOCHJYFZSA-N 1 0 396.579 3.375 50 0 GGAARO COCc1cc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)ccc1OC ZINC000082148495 208081967 /nfs/dbraw/zinc/08/19/67/208081967.db2.gz ZSDIXHSFRGVLSB-UHFFFAOYSA-N 1 0 381.476 3.240 50 0 GGAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3ccc4ccccc4n3)cc2C1 ZINC000082127513 208082966 /nfs/dbraw/zinc/08/29/66/208082966.db2.gz AQTLJPQOOOVRTI-UHFFFAOYSA-N 1 0 377.492 3.223 50 0 GGAARO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000084699899 208097616 /nfs/dbraw/zinc/09/76/16/208097616.db2.gz BXIHDSGTNAGLAG-CIAFKFPVSA-N 1 0 393.616 3.091 50 0 GGAARO COc1ccccc1/C=C/C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000091563045 208122205 /nfs/dbraw/zinc/12/22/05/208122205.db2.gz HYTHQDCCVDMLEK-PDGPTWFESA-N 1 0 383.517 3.288 50 0 GGAARO COc1ccccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000091547851 208123445 /nfs/dbraw/zinc/12/34/45/208123445.db2.gz IOSTVWYCGQXSCP-HSZRJFAPSA-N 1 0 394.519 3.198 50 0 GGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(-c2cccs2)[nH]c1=O)c1ccco1 ZINC000091518610 208123751 /nfs/dbraw/zinc/12/37/51/208123751.db2.gz DYMWJRWYRQXHIK-AWEZNQCLSA-N 1 0 386.477 3.317 50 0 GGAARO Cc1ccccc1-c1ncc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cn1 ZINC000091548588 208123868 /nfs/dbraw/zinc/12/38/68/208123868.db2.gz JBNAEAKKQDIKEC-JPYJTQIMSA-N 1 0 381.520 3.452 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(=O)[nH]c4ccccc43)CC2)o1 ZINC000091519089 208124420 /nfs/dbraw/zinc/12/44/20/208124420.db2.gz XWZUQAOKJVPXLQ-UHFFFAOYSA-N 1 0 379.460 3.072 50 0 GGAARO CNc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cs1 ZINC000091621395 208124812 /nfs/dbraw/zinc/12/48/12/208124812.db2.gz RPSCCVRDKNQHLF-ZWKOTPCHSA-N 1 0 384.549 3.354 50 0 GGAARO OC[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000091616393 208126854 /nfs/dbraw/zinc/12/68/54/208126854.db2.gz VQDWVRQKXABRLB-FGZHOGPDSA-N 1 0 380.532 3.116 50 0 GGAARO C[C@H](C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1)C(F)(F)F ZINC000091636881 208127648 /nfs/dbraw/zinc/12/76/48/208127648.db2.gz YNWXRQQDGAPGGB-CYBMUJFWSA-N 1 0 384.446 3.084 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]n2)cc1 ZINC000091645581 208127744 /nfs/dbraw/zinc/12/77/44/208127744.db2.gz LLNBSDQHYHPTEB-GOSISDBHSA-N 1 0 390.487 3.337 50 0 GGAARO Cc1cc(C)cc(CSCC(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c1 ZINC000091645724 208128451 /nfs/dbraw/zinc/12/84/51/208128451.db2.gz INRTYZLPEBJCAK-UXHICEINSA-N 1 0 378.582 3.088 50 0 GGAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3F)C2)CN1CCc1c[nH]cn1 ZINC000091625484 208129274 /nfs/dbraw/zinc/12/92/74/208129274.db2.gz WYMHTTHCEMKFRS-OAQYLSRUSA-N 1 0 388.462 3.135 50 0 GGAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)CN1CCO ZINC000091635756 208129909 /nfs/dbraw/zinc/12/99/09/208129909.db2.gz VOMUILKBLARUEC-QFIPXVFZSA-N 1 0 386.467 3.283 50 0 GGAARO CN(CC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)c1ccccc1 ZINC000091626352 208130050 /nfs/dbraw/zinc/13/00/50/208130050.db2.gz ZKBBFMGORCTUGJ-UHFFFAOYSA-N 1 0 395.551 3.174 50 0 GGAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000091643808 208130223 /nfs/dbraw/zinc/13/02/23/208130223.db2.gz NMRGYABGBQEKFD-UHFFFAOYSA-N 1 0 376.460 3.289 50 0 GGAARO Cc1ccc(Cl)c(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)c1F ZINC000091645569 208130493 /nfs/dbraw/zinc/13/04/93/208130493.db2.gz UVFCFJSMJISUPS-UHFFFAOYSA-N 1 0 382.907 3.375 50 0 GGAARO Nc1ncccc1C[NH+]1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091645414 208130562 /nfs/dbraw/zinc/13/05/62/208130562.db2.gz JWIGUYLGMAMCMO-VMPITWQZSA-N 1 0 376.504 3.192 50 0 GGAARO Cc1ccn(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)n1 ZINC000091677043 208131053 /nfs/dbraw/zinc/13/10/53/208131053.db2.gz IJUUYNIRRLLGSE-FCHUYYIVSA-N 1 0 380.536 3.137 50 0 GGAARO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)cc2c1OCO2 ZINC000091664593 208131295 /nfs/dbraw/zinc/13/12/95/208131295.db2.gz CYTBDOWABVZWSG-QFIPXVFZSA-N 1 0 386.492 3.039 50 0 GGAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000091657011 208131588 /nfs/dbraw/zinc/13/15/88/208131588.db2.gz DUCIVCFTBKMAAK-UHFFFAOYSA-N 1 0 382.483 3.225 50 0 GGAARO COc1ccc2ccc(OCc3nc(C(=O)N(C)CC[NH+](C)C)co3)cc2c1 ZINC000091691116 208133211 /nfs/dbraw/zinc/13/32/11/208133211.db2.gz MLEPOPVTADXPKY-UHFFFAOYSA-N 1 0 383.448 3.049 50 0 GGAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1cnn(-c3cccc(F)c3)c1)C2 ZINC000091663722 208133519 /nfs/dbraw/zinc/13/35/19/208133519.db2.gz HMXBYYJTUNIKQG-QFIPXVFZSA-N 1 0 382.483 3.236 50 0 GGAARO CCc1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)ccn1 ZINC000091665365 208133646 /nfs/dbraw/zinc/13/36/46/208133646.db2.gz ZQYKPAIINFGEEA-UHFFFAOYSA-N 1 0 381.524 3.309 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cn(C)nc3C)CC2)C1 ZINC000091769559 208134157 /nfs/dbraw/zinc/13/41/57/208134157.db2.gz HOMLZCIGXPCMNW-HXUWFJFHSA-N 1 0 380.536 3.460 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3ccc([C@@H]4CCCO4)s3)cc2C1 ZINC000091745837 208134573 /nfs/dbraw/zinc/13/45/73/208134573.db2.gz BQJUBZNXHNCANY-KRWDZBQOSA-N 1 0 388.537 3.198 50 0 GGAARO CN1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@]12CCNC(=O)CC2 ZINC000091725214 208134802 /nfs/dbraw/zinc/13/48/02/208134802.db2.gz KCFGGCDZSPNODE-QHCPKHFHSA-N 1 0 377.488 3.372 50 0 GGAARO Cc1ccc(C(=O)CCC[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000091746638 208135766 /nfs/dbraw/zinc/13/57/66/208135766.db2.gz KQOXGACOROFFKB-QHCPKHFHSA-N 1 0 386.536 3.045 50 0 GGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2cnc3ccccc3c2)CC1 ZINC000091757154 208136211 /nfs/dbraw/zinc/13/62/11/208136211.db2.gz AGWHLFSKLVOAKT-UHFFFAOYSA-N 1 0 377.492 3.013 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)c2ccccc12 ZINC000091757248 208136808 /nfs/dbraw/zinc/13/68/08/208136808.db2.gz IVCNXMNRHYXHNS-UHFFFAOYSA-N 1 0 382.504 3.045 50 0 GGAARO COc1cc(Cl)cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c1 ZINC000091781026 208138557 /nfs/dbraw/zinc/13/85/57/208138557.db2.gz WLYWBYBDPNOVGK-QFBILLFUSA-N 1 0 385.895 3.480 50 0 GGAARO Cc1ncsc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091270632 208113235 /nfs/dbraw/zinc/11/32/35/208113235.db2.gz CYRLBAWNSAQCGC-NRFANRHFSA-N 1 0 384.549 3.294 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(OC)c(F)c1)CC2 ZINC000091255391 208113370 /nfs/dbraw/zinc/11/33/70/208113370.db2.gz HBQISSYUYCQKJV-UHFFFAOYSA-N 1 0 378.488 3.075 50 0 GGAARO O=C(c1ccc(-c2cc[nH]n2)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091326337 208114072 /nfs/dbraw/zinc/11/40/72/208114072.db2.gz WXKLKVZZPXXDKB-LAUBAEHRSA-N 1 0 387.487 3.208 50 0 GGAARO COc1ccc([C@@H]2C[N@@H+](C3CCN(C(=O)OC(C)C)CC3)C[C@H]2N(C)C)cc1 ZINC000091325459 208114689 /nfs/dbraw/zinc/11/46/89/208114689.db2.gz QPDWVQDTKDOGPQ-LEWJYISDSA-N 1 0 389.540 3.034 50 0 GGAARO OC[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091321677 208114983 /nfs/dbraw/zinc/11/49/83/208114983.db2.gz XOUAYLZOBWJGPZ-FGZHOGPDSA-N 1 0 386.584 3.441 50 0 GGAARO COc1ccc(/C=C/C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)cc1 ZINC000091270651 208115055 /nfs/dbraw/zinc/11/50/55/208115055.db2.gz KOALYQBHSPTGIX-KFVKGYIZSA-N 1 0 384.520 3.202 50 0 GGAARO CS[C@H](C)CC[NH+]1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000091434443 208116184 /nfs/dbraw/zinc/11/61/84/208116184.db2.gz HBZVDCJVMLFOKR-GOSISDBHSA-N 1 0 375.582 3.470 50 0 GGAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2N(C)C)cc1 ZINC000091391194 208117655 /nfs/dbraw/zinc/11/76/55/208117655.db2.gz FEIMIULRGHIBGL-XZOQPEGZSA-N 1 0 376.504 3.411 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000091416661 208118335 /nfs/dbraw/zinc/11/83/35/208118335.db2.gz LBFZYBVNVGFLPU-NRFANRHFSA-N 1 0 380.536 3.391 50 0 GGAARO COc1cccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)nc21 ZINC000091441446 208118750 /nfs/dbraw/zinc/11/87/50/208118750.db2.gz YCUSGVBLPWXWSV-VQIMIIECSA-N 1 0 375.476 3.134 50 0 GGAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cc(C4CCCCC4)no3)C2)C1=O ZINC000091444942 208119396 /nfs/dbraw/zinc/11/93/96/208119396.db2.gz QBFRKGSOPKZKFC-NRFANRHFSA-N 1 0 375.513 3.183 50 0 GGAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)[C@H]1CCc2ccccc21 ZINC000091452218 208120206 /nfs/dbraw/zinc/12/02/06/208120206.db2.gz NSIMHNDJSTXMHG-QFIPXVFZSA-N 1 0 378.520 3.378 50 0 GGAARO O=C1CC[C@]2(CCC[N@H+](CCCc3cccnc3)C2)CN1Cc1ccccn1 ZINC000091468327 208120362 /nfs/dbraw/zinc/12/03/62/208120362.db2.gz INGFLHVAGPLHOY-QHCPKHFHSA-N 1 0 378.520 3.314 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(F)cc1Cl)CC2 ZINC000091468665 208120580 /nfs/dbraw/zinc/12/05/80/208120580.db2.gz VABXWPJASALQHW-UHFFFAOYSA-N 1 0 376.863 3.212 50 0 GGAARO CCN1CC2(CC[NH+](Cc3cn(C)nc3C)CC2)C[C@H](c2ccccc2)C1=O ZINC000091494074 208120699 /nfs/dbraw/zinc/12/06/99/208120699.db2.gz FNDUOGGICKEDCY-OAQYLSRUSA-N 1 0 380.536 3.347 50 0 GGAARO COc1ccccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000091547850 208121651 /nfs/dbraw/zinc/12/16/51/208121651.db2.gz IOSTVWYCGQXSCP-QHCPKHFHSA-N 1 0 394.519 3.198 50 0 GGAARO O=C(CCCOc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095355837 208157457 /nfs/dbraw/zinc/15/74/57/208157457.db2.gz OBZZBCHMAUFRAE-PZJWPPBQSA-N 1 0 379.504 3.364 50 0 GGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000095352503 208157594 /nfs/dbraw/zinc/15/75/94/208157594.db2.gz FBEKQPWWFSHVMN-LEWJYISDSA-N 1 0 380.536 3.345 50 0 GGAARO CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095352550 208157967 /nfs/dbraw/zinc/15/79/67/208157967.db2.gz XJECFNRREJWXET-SFHVURJKSA-N 1 0 376.460 3.476 50 0 GGAARO COc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1C ZINC000095352776 208158246 /nfs/dbraw/zinc/15/82/46/208158246.db2.gz KLUZQTXMWUPKDA-MDNUFGMLSA-N 1 0 392.499 3.412 50 0 GGAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)c(F)c1F ZINC000095356230 208158357 /nfs/dbraw/zinc/15/83/57/208158357.db2.gz FAQQBWFTOCXGPQ-MRXNPFEDSA-N 1 0 386.450 3.026 50 0 GGAARO Cc1ccc([C@H](C(=O)NC2CC[NH+](C3CCSCC3)CC2)N(C)C)cc1 ZINC000095353263 208158473 /nfs/dbraw/zinc/15/84/73/208158473.db2.gz YSURCHATPMEQCX-HXUWFJFHSA-N 1 0 375.582 3.074 50 0 GGAARO Cc1cc(C)c(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cc1C ZINC000095386402 208174745 /nfs/dbraw/zinc/17/47/45/208174745.db2.gz UMGQOYWKQIQLRU-LJQANCHMSA-N 1 0 378.524 3.365 50 0 GGAARO Cc1noc(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095389370 208174759 /nfs/dbraw/zinc/17/47/59/208174759.db2.gz JOGIIORKCIUZPT-AZUAARDMSA-N 1 0 385.483 3.486 50 0 GGAARO COc1ccccc1/C=C/C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000095358937 208159800 /nfs/dbraw/zinc/15/98/00/208159800.db2.gz MJSVEMKBHBAPPY-MRFXHLROSA-N 1 0 377.488 3.340 50 0 GGAARO O=C(c1cccc(F)c1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386888 208174794 /nfs/dbraw/zinc/17/47/94/208174794.db2.gz TXLKUMZNOYRTGI-VLCRHTCISA-N 1 0 394.446 3.257 50 0 GGAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000095359516 208160301 /nfs/dbraw/zinc/16/03/01/208160301.db2.gz VFDKWCUDFONEEA-QGZVFWFLSA-N 1 0 376.464 3.186 50 0 GGAARO CCCN1CCC([N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000095357520 208160779 /nfs/dbraw/zinc/16/07/79/208160779.db2.gz LZPHLYWZIFSSAB-RBZQAINGSA-N 1 0 383.580 3.432 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cn3ccc(C)cc3n1)C2 ZINC000095362445 208160818 /nfs/dbraw/zinc/16/08/18/208160818.db2.gz YMJNDOMLCJLSCO-AZUAARDMSA-N 1 0 379.508 3.344 50 0 GGAARO O=C(Cc1ccc(F)cc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358867 208161028 /nfs/dbraw/zinc/16/10/28/208161028.db2.gz DRXJJLUXFWJTOO-MDNUFGMLSA-N 1 0 380.463 3.163 50 0 GGAARO CCCc1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)no1 ZINC000095358207 208161330 /nfs/dbraw/zinc/16/13/30/208161330.db2.gz VVKHMRVOYPNBPG-CEWLAPEOSA-N 1 0 381.476 3.035 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccccc3)o1)C2 ZINC000095358780 208162316 /nfs/dbraw/zinc/16/23/16/208162316.db2.gz VTWFDFJHKBOMQH-PKOBYXMFSA-N 1 0 393.491 3.438 50 0 GGAARO CC(=O)N1CC[C@]2(O)CC[N@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000095363563 208162843 /nfs/dbraw/zinc/16/28/43/208162843.db2.gz XBYLUFPEHSVCGP-ISKFKSNPSA-N 1 0 378.516 3.124 50 0 GGAARO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@@H+](C1CCN(C(=O)c3cccnc3)CC1)C2 ZINC000095364212 208163845 /nfs/dbraw/zinc/16/38/45/208163845.db2.gz HZDLEVGNSWFWHO-DENIHFKCSA-N 1 0 382.552 3.049 50 0 GGAARO O=C(NCCOCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095365290 208164824 /nfs/dbraw/zinc/16/48/24/208164824.db2.gz SWHXKUBXLIXPIW-UHFFFAOYSA-N 1 0 376.884 3.478 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095363204 208165044 /nfs/dbraw/zinc/16/50/44/208165044.db2.gz FQPUMYVLQUJGQP-KSEOMHKRSA-N 1 0 377.488 3.101 50 0 GGAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000095365666 208165116 /nfs/dbraw/zinc/16/51/16/208165116.db2.gz KZUCCSNGWNQACH-NRFANRHFSA-N 1 0 381.495 3.251 50 0 GGAARO COc1cccc(CC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000095368982 208165321 /nfs/dbraw/zinc/16/53/21/208165321.db2.gz GVQFCHFNZXPIIC-QPTUXGOLSA-N 1 0 392.499 3.032 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000095372399 208165502 /nfs/dbraw/zinc/16/55/02/208165502.db2.gz KYTKVSDZZAVFOZ-OAHLLOKOSA-N 1 0 378.879 3.257 50 0 GGAARO O=C(c1ccccc1N1CCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095368199 208166162 /nfs/dbraw/zinc/16/61/62/208166162.db2.gz FHUDYWUTVCCEEY-AZUAARDMSA-N 1 0 383.536 3.002 50 0 GGAARO COc1cc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)ccc1F ZINC000095390168 208175040 /nfs/dbraw/zinc/17/50/40/208175040.db2.gz STMBOCYJLKUHLN-UHFFFAOYSA-N 1 0 388.487 3.002 50 0 GGAARO O=C(c1ccc(F)c(F)c1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095372565 208167021 /nfs/dbraw/zinc/16/70/21/208167021.db2.gz OZRUEJYMVBVPCE-IOMROCGXSA-N 1 0 384.426 3.373 50 0 GGAARO Cc1ccc([C@@H](CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000095372195 208167458 /nfs/dbraw/zinc/16/74/58/208167458.db2.gz BQWCYTGESURNKE-OAQYLSRUSA-N 1 0 385.552 3.143 50 0 GGAARO CCc1nc(N)sc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095368801 208167727 /nfs/dbraw/zinc/16/77/27/208167727.db2.gz YCJIHFYAHITFBB-GOEBONIOSA-N 1 0 388.512 3.163 50 0 GGAARO O=C(c1cc(C2CC2)no1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095375545 208169036 /nfs/dbraw/zinc/16/90/36/208169036.db2.gz VSLVKLHWRFFHAJ-HNAYVOBHSA-N 1 0 377.488 3.256 50 0 GGAARO Cc1cc(C(F)(F)F)nc(CNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)n1 ZINC000095375158 208169096 /nfs/dbraw/zinc/16/90/96/208169096.db2.gz ISPWJUJNLLUVBK-OAHLLOKOSA-N 1 0 378.398 3.201 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1 ZINC000095386702 208175199 /nfs/dbraw/zinc/17/51/99/208175199.db2.gz UOFKKFJLBNIIFH-GOSISDBHSA-N 1 0 377.492 3.013 50 0 GGAARO Cc1ccc(C)c(C(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c1 ZINC000095373891 208169557 /nfs/dbraw/zinc/16/95/57/208169557.db2.gz IECSWVSKCFTGOK-UHFFFAOYSA-N 1 0 385.552 3.100 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)Cc3ccccc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095377965 208170641 /nfs/dbraw/zinc/17/06/41/208170641.db2.gz FLZUELHFVLYOCI-QPTUXGOLSA-N 1 0 376.500 3.327 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCn2cccc2[C@@H]1c1cccnc1 ZINC000095380747 208171328 /nfs/dbraw/zinc/17/13/28/208171328.db2.gz AZGCETODLOQENB-QFIPXVFZSA-N 1 0 390.487 3.320 50 0 GGAARO CC(C)Cc1cc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000095379833 208171548 /nfs/dbraw/zinc/17/15/48/208171548.db2.gz DHRVVOWIMCBWQG-YTFSRNRJSA-N 1 0 380.536 3.376 50 0 GGAARO O=C(c1cnoc1-c1ccccc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095378500 208171602 /nfs/dbraw/zinc/17/16/02/208171602.db2.gz RXBVJLBDQZXISK-QFBILLFUSA-N 1 0 381.476 3.057 50 0 GGAARO COc1cccc(OC)c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095382313 208171611 /nfs/dbraw/zinc/17/16/11/208171611.db2.gz ZTBGDKVIDZZZCH-RTBURBONSA-N 1 0 380.488 3.440 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(C)c(O)c2)C3)cc1 ZINC000095383381 208172249 /nfs/dbraw/zinc/17/22/49/208172249.db2.gz NMADQAAXOOJZNW-AZUAARDMSA-N 1 0 380.488 3.446 50 0 GGAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000095383651 208172358 /nfs/dbraw/zinc/17/23/58/208172358.db2.gz QKULUAHJPQNOQI-BWDYHRDRSA-N 1 0 380.471 3.092 50 0 GGAARO O=C(c1cccc(-c2ncc[nH]2)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095384184 208172650 /nfs/dbraw/zinc/17/26/50/208172650.db2.gz NIOVYSFVBJSBHJ-LAUBAEHRSA-N 1 0 387.487 3.208 50 0 GGAARO O=C(c1conc1-c1ccccc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095383095 208173139 /nfs/dbraw/zinc/17/31/39/208173139.db2.gz HJGQEAYMUJJHPE-QFBILLFUSA-N 1 0 381.476 3.057 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3csc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095380809 208173624 /nfs/dbraw/zinc/17/36/24/208173624.db2.gz TXJVMQWFANQMIW-DFQSSKMNSA-N 1 0 383.517 3.163 50 0 GGAARO Cc1ccc(-c2ccc(CCC(=O)N3C[C@@H](CO)C[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000091907469 208140379 /nfs/dbraw/zinc/14/03/79/208140379.db2.gz RGUPBWRHAKBTFV-MOPGFXCFSA-N 1 0 384.520 3.206 50 0 GGAARO O=C(c1c[nH]nc1-c1cccc(F)c1)N(Cc1cccnc1)C1CC[NH2+]CC1 ZINC000091943640 208142757 /nfs/dbraw/zinc/14/27/57/208142757.db2.gz CEJJNWGULRQTMJ-UHFFFAOYSA-N 1 0 379.439 3.005 50 0 GGAARO C[C@@H](C1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000091964859 208143311 /nfs/dbraw/zinc/14/33/11/208143311.db2.gz QCGFOSVTTCWACP-SFHVURJKSA-N 1 0 381.520 3.435 50 0 GGAARO Cc1cc(F)ccc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091988043 208143582 /nfs/dbraw/zinc/14/35/82/208143582.db2.gz YKRRRQBYVXMYRN-UHFFFAOYSA-N 1 0 384.499 3.305 50 0 GGAARO C[N@@H+]1CCC[C@@H](CCC(=O)N(Cc2ccncc2)Cc2ccc3c(c2)OCO3)C1 ZINC000091966704 208144432 /nfs/dbraw/zinc/14/44/32/208144432.db2.gz QGKLTRFBJURUHK-SFHVURJKSA-N 1 0 395.503 3.461 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(F)ccc1Cl)CC2 ZINC000091987867 208145499 /nfs/dbraw/zinc/14/54/99/208145499.db2.gz GSISDEDDCMKXNV-UHFFFAOYSA-N 1 0 376.863 3.212 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC000092002213 208148250 /nfs/dbraw/zinc/14/82/50/208148250.db2.gz URSPNHOGJGIOPN-OAQYLSRUSA-N 1 0 380.536 3.310 50 0 GGAARO O=C(CSc1ccccc1)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000092080798 208148862 /nfs/dbraw/zinc/14/88/62/208148862.db2.gz RZKDQXQPJHDKBL-UHFFFAOYSA-N 1 0 384.549 3.440 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1O ZINC000095387886 208174637 /nfs/dbraw/zinc/17/46/37/208174637.db2.gz VVBICXDKHGBGIF-WWPVKYPJSA-N 1 0 380.488 3.169 50 0 GGAARO CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000095507330 208206237 /nfs/dbraw/zinc/20/62/37/208206237.db2.gz ATJLXAAGPOTDOC-GOSISDBHSA-N 1 0 389.496 3.007 50 0 GGAARO Cc1ncncc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000095505829 208206796 /nfs/dbraw/zinc/20/67/96/208206796.db2.gz VPSWHKHPVVNHMH-SFHVURJKSA-N 1 0 386.927 3.465 50 0 GGAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1cc(-c3ccccc3)no1)CC2 ZINC000095506343 208206873 /nfs/dbraw/zinc/20/68/73/208206873.db2.gz JCGWULQBGLHYTG-UHFFFAOYSA-N 1 0 377.492 3.434 50 0 GGAARO C[C@@H](C(N)=O)[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000095507694 208208668 /nfs/dbraw/zinc/20/86/68/208208668.db2.gz ZXWKDYTULFLDJZ-HNNXBMFYSA-N 1 0 390.487 3.359 50 0 GGAARO C[NH+]1CCC(Oc2ccccc2NC(=O)NCCSc2ccccn2)CC1 ZINC000095510535 208209269 /nfs/dbraw/zinc/20/92/69/208209269.db2.gz BGAPEMRIFJQEJJ-UHFFFAOYSA-N 1 0 386.521 3.468 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cccc(=O)[nH]1 ZINC000095509641 208209545 /nfs/dbraw/zinc/20/95/45/208209545.db2.gz BRJZMYSAIBMVGL-QGZVFWFLSA-N 1 0 387.911 3.055 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000095509673 208210000 /nfs/dbraw/zinc/21/00/00/208210000.db2.gz SPLPMIHGYDCARI-QGZVFWFLSA-N 1 0 384.499 3.022 50 0 GGAARO COCCn1ccnc1C1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000095509984 208210014 /nfs/dbraw/zinc/21/00/14/208210014.db2.gz MKECRSWZUWFMPN-MRXNPFEDSA-N 1 0 388.537 3.035 50 0 GGAARO Cc1c(O)cccc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095384702 208175646 /nfs/dbraw/zinc/17/56/46/208175646.db2.gz RLOXAZIEQKVEAS-KSEOMHKRSA-N 1 0 378.472 3.109 50 0 GGAARO O=C(Cc1cccs1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386011 208175663 /nfs/dbraw/zinc/17/56/63/208175663.db2.gz GHTHRKPNJYFDET-MTNREXPMSA-N 1 0 396.512 3.108 50 0 GGAARO O=C(c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1)N1CCOCC1 ZINC000095509212 208210057 /nfs/dbraw/zinc/21/00/57/208210057.db2.gz RLLDXUWTAAARGB-UHFFFAOYSA-N 1 0 394.515 3.245 50 0 GGAARO CCc1ncc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000095392256 208178829 /nfs/dbraw/zinc/17/88/29/208178829.db2.gz YRUQXRAXOJDEKJ-IBGZPJMESA-N 1 0 378.520 3.381 50 0 GGAARO CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH+](C)C)C1 ZINC000095392484 208178939 /nfs/dbraw/zinc/17/89/39/208178939.db2.gz XTFIYTPSHSZURL-GHTZIAJQSA-N 1 0 384.524 3.205 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(CO)cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095391061 208179157 /nfs/dbraw/zinc/17/91/57/208179157.db2.gz RKXVTABYGCBEMK-YTFSRNRJSA-N 1 0 376.500 3.190 50 0 GGAARO O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCC(OCc2ccccn2)CC1 ZINC000095391525 208180004 /nfs/dbraw/zinc/18/00/04/208180004.db2.gz SBGWBGZFIZIVAD-HXUWFJFHSA-N 1 0 379.504 3.370 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 ZINC000095509882 208210258 /nfs/dbraw/zinc/21/02/58/208210258.db2.gz LZJFTICIYADEPX-LJQANCHMSA-N 1 0 386.515 3.313 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cccc(=O)[nH]1 ZINC000095509640 208210322 /nfs/dbraw/zinc/21/03/22/208210322.db2.gz BRJZMYSAIBMVGL-KRWDZBQOSA-N 1 0 387.911 3.055 50 0 GGAARO CC(=O)c1cccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)c1 ZINC000095472075 208191627 /nfs/dbraw/zinc/19/16/27/208191627.db2.gz QVZBGASEYWNXEJ-UHFFFAOYSA-N 1 0 398.459 3.236 50 0 GGAARO Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CCCCCC1 ZINC000095476198 208191961 /nfs/dbraw/zinc/19/19/61/208191961.db2.gz CSQPJQLHXNDGCF-UHFFFAOYSA-N 1 0 381.520 3.025 50 0 GGAARO Cc1cc(C)nc(NCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000095476695 208193232 /nfs/dbraw/zinc/19/32/32/208193232.db2.gz DBGURXLVUVITER-UHFFFAOYSA-N 1 0 381.524 3.066 50 0 GGAARO COc1ccc(C[NH+]2CCC(NC(=O)c3nc(C)sc3C)CC2)cc1OC ZINC000095478850 208195919 /nfs/dbraw/zinc/19/59/19/208195919.db2.gz TZYXFMLAPLDHEO-UHFFFAOYSA-N 1 0 389.521 3.172 50 0 GGAARO Cc1nc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)n(C)n1 ZINC000095497257 208196798 /nfs/dbraw/zinc/19/67/98/208196798.db2.gz HZOFEVAHUZWKCT-SFHVURJKSA-N 1 0 375.948 3.163 50 0 GGAARO Cc1cc(=O)cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)o1 ZINC000095498470 208197080 /nfs/dbraw/zinc/19/70/80/208197080.db2.gz UCVMOYXJMDDVJA-QGZVFWFLSA-N 1 0 386.467 3.114 50 0 GGAARO CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095497142 208198204 /nfs/dbraw/zinc/19/82/04/208198204.db2.gz KGNQMYKXYSDGCC-FQEVSTJZSA-N 1 0 382.508 3.057 50 0 GGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccnc4ccccc34)C2)N1Cc1cscn1 ZINC000095498366 208198537 /nfs/dbraw/zinc/19/85/37/208198537.db2.gz NFPNSGYPPFQFAE-FUHWJXTLSA-N 1 0 378.501 3.314 50 0 GGAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000095501494 208200371 /nfs/dbraw/zinc/20/03/71/208200371.db2.gz WDGRHHXISKHALB-HNNXBMFYSA-N 1 0 388.462 3.251 50 0 GGAARO O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCC[NH+]1CCC(O)CC1 ZINC000095499660 208200676 /nfs/dbraw/zinc/20/06/76/208200676.db2.gz NESHISJEOCFVBP-OAQYLSRUSA-N 1 0 386.923 3.435 50 0 GGAARO Cc1ncncc1C(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095500009 208200753 /nfs/dbraw/zinc/20/07/53/208200753.db2.gz LPQVXRGKLVPDKV-UHFFFAOYSA-N 1 0 393.535 3.477 50 0 GGAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(SCc2ccco2)cc1 ZINC000095502077 208203059 /nfs/dbraw/zinc/20/30/59/208203059.db2.gz LOINMOPVKFLQLA-ROUUACIJSA-N 1 0 375.494 3.413 50 0 GGAARO NC(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095504568 208203131 /nfs/dbraw/zinc/20/31/31/208203131.db2.gz SOULTCNEWSQPBZ-UHFFFAOYSA-N 1 0 385.439 3.144 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)s1 ZINC000095504012 208203305 /nfs/dbraw/zinc/20/33/05/208203305.db2.gz NWTYYZDBSFOICH-UHFFFAOYSA-N 1 0 384.549 3.456 50 0 GGAARO Cc1ccc(CNC(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095502247 208203633 /nfs/dbraw/zinc/20/36/33/208203633.db2.gz CFYYWBAPFCRXKC-FQEVSTJZSA-N 1 0 383.540 3.232 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)[C@H]1CCCCO1 ZINC000095503297 208205049 /nfs/dbraw/zinc/20/50/49/208205049.db2.gz XBDNNRYPBXVIKH-OAQYLSRUSA-N 1 0 392.515 3.082 50 0 GGAARO O=C(N[C@H]1CCOC1)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000095503527 208205373 /nfs/dbraw/zinc/20/53/73/208205373.db2.gz XSYRJNXLBBVTEJ-NRFANRHFSA-N 1 0 394.515 3.291 50 0 GGAARO Cc1cc2cccc(NC(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)c2o1 ZINC000095507819 208205814 /nfs/dbraw/zinc/20/58/14/208205814.db2.gz SGEQTPQHRWHESP-UHFFFAOYSA-N 1 0 384.480 3.079 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000095509836 208212032 /nfs/dbraw/zinc/21/20/32/208212032.db2.gz MAEHOKLBLOCLHQ-SFHVURJKSA-N 1 0 386.565 3.333 50 0 GGAARO CCCOc1ccc(C(=O)N2CCC(c3nccn3CC[NH+](C)C)CC2)cc1 ZINC000095511474 208212302 /nfs/dbraw/zinc/21/23/02/208212302.db2.gz OWEQIUBNZXZTBA-UHFFFAOYSA-N 1 0 384.524 3.253 50 0 GGAARO CCc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc(=O)[nH]1 ZINC000095510985 208212505 /nfs/dbraw/zinc/21/25/05/208212505.db2.gz QNPRRLBXAFJMHW-LJQANCHMSA-N 1 0 395.547 3.272 50 0 GGAARO O=C(NCc1ccccn1)C1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095510859 208214850 /nfs/dbraw/zinc/21/48/50/208214850.db2.gz RSSPHTANGSIBTQ-SFHVURJKSA-N 1 0 379.504 3.051 50 0 GGAARO Cn1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc2ccccc21 ZINC000095511322 208215233 /nfs/dbraw/zinc/21/52/33/208215233.db2.gz MBNIVLKGFUIFKE-FUHWJXTLSA-N 1 0 380.517 3.258 50 0 GGAARO COCCNC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095517477 208216268 /nfs/dbraw/zinc/21/62/68/208216268.db2.gz RRPGSEADIMUWBF-FQEVSTJZSA-N 1 0 388.556 3.284 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ncc[nH]1 ZINC000095517342 208216501 /nfs/dbraw/zinc/21/65/01/208216501.db2.gz NKNJNPFNRMJKIU-INIZCTEOSA-N 1 0 394.441 3.455 50 0 GGAARO O=C(NC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3F)c2)C1)c1cccnc1 ZINC000095516817 208217005 /nfs/dbraw/zinc/21/70/05/208217005.db2.gz WESMDMXUQGUNSV-QGZVFWFLSA-N 1 0 393.466 3.048 50 0 GGAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccc1F)CC2 ZINC000095518217 208217560 /nfs/dbraw/zinc/21/75/60/208217560.db2.gz DRBRVUSSSVDISI-UHFFFAOYSA-N 1 0 382.483 3.225 50 0 GGAARO CCOC(=O)Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000095520945 208218889 /nfs/dbraw/zinc/21/88/89/208218889.db2.gz WPZKTGGRKKNYAI-HXUWFJFHSA-N 1 0 381.476 3.188 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1c[nH]cn1 ZINC000095521736 208219660 /nfs/dbraw/zinc/21/96/60/208219660.db2.gz ZCOOWWRCFGQIPT-INIZCTEOSA-N 1 0 394.441 3.455 50 0 GGAARO CCc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095519989 208220330 /nfs/dbraw/zinc/22/03/30/208220330.db2.gz FEZJJCUKDVTLKU-SFHVURJKSA-N 1 0 384.499 3.205 50 0 GGAARO CCOc1ccccc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)CC ZINC000095521510 208220582 /nfs/dbraw/zinc/22/05/82/208220582.db2.gz DDNSGZDCUMREFU-UHFFFAOYSA-N 1 0 382.508 3.094 50 0 GGAARO COCCNC(=O)c1ccc(OC2CC[NH+](CC3CCC3)CC2)c(Cl)c1 ZINC000095520518 208220634 /nfs/dbraw/zinc/22/06/34/208220634.db2.gz VJZIGAMRNHVEGZ-UHFFFAOYSA-N 1 0 380.916 3.360 50 0 GGAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)[C@H]2CC23CCCC3)CC1 ZINC000095522610 208221972 /nfs/dbraw/zinc/22/19/72/208221972.db2.gz FZMHHOQARCBQEF-OAQYLSRUSA-N 1 0 385.552 3.349 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1nc(C)c[nH]1 ZINC000095523921 208222551 /nfs/dbraw/zinc/22/25/51/208222551.db2.gz HCANJFAIYWKHHT-LJQANCHMSA-N 1 0 384.524 3.144 50 0 GGAARO COc1ccc(C(=O)N[C@H]2CCSC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095524678 208223755 /nfs/dbraw/zinc/22/37/55/208223755.db2.gz WEZULJUKBUJLEP-INIZCTEOSA-N 1 0 378.538 3.182 50 0 GGAARO Cn1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4Cc3cscn3)ccc21 ZINC000095522920 208224015 /nfs/dbraw/zinc/22/40/15/208224015.db2.gz KCHCYPUVVIHPIS-PKOBYXMFSA-N 1 0 380.517 3.258 50 0 GGAARO C[N@H+](C[C@@H](O)COc1ccccc1CN1CCOC(C)(C)C1)C1CCCCC1 ZINC000095524641 208224401 /nfs/dbraw/zinc/22/44/01/208224401.db2.gz RSBUCAVPTOYTJR-OAQYLSRUSA-N 1 0 390.568 3.302 50 0 GGAARO Cn1c2ccccc2nc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C[NH+](C)C ZINC000095524003 208224476 /nfs/dbraw/zinc/22/44/76/208224476.db2.gz IDTJTNUPYNYVKU-JOCHJYFZSA-N 1 0 387.487 3.090 50 0 GGAARO CCn1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1=O ZINC000095527044 208225093 /nfs/dbraw/zinc/22/50/93/208225093.db2.gz KBUWQBACNOFOJR-HXUWFJFHSA-N 1 0 395.547 3.203 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)NCC2CCCCC2)C1 ZINC000095526209 208225439 /nfs/dbraw/zinc/22/54/39/208225439.db2.gz FQGAWOSYZMMGBP-IBGZPJMESA-N 1 0 375.561 3.304 50 0 GGAARO CCn1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1=O ZINC000095527043 208227589 /nfs/dbraw/zinc/22/75/89/208227589.db2.gz KBUWQBACNOFOJR-FQEVSTJZSA-N 1 0 395.547 3.203 50 0 GGAARO Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)o1 ZINC000095528988 208228551 /nfs/dbraw/zinc/22/85/51/208228551.db2.gz MVPULUNATGLVSA-IBGZPJMESA-N 1 0 382.504 3.283 50 0 GGAARO COc1ccc2c(c1)OC[C@@H](CNC(=O)C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000095529306 208228923 /nfs/dbraw/zinc/22/89/23/208228923.db2.gz AHDSRYQQDDWUQB-QGZVFWFLSA-N 1 0 386.536 3.407 50 0 GGAARO O=C(CC[C@@H]1CCC[N@H+](CCn2cnnc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095531372 208228943 /nfs/dbraw/zinc/22/89/43/208228943.db2.gz APVURTKLZCBXJR-HNNXBMFYSA-N 1 0 395.429 3.428 50 0 GGAARO O=C(Nc1cccc2c[nH]nc21)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000095529958 208229525 /nfs/dbraw/zinc/22/95/25/208229525.db2.gz FQOQXHZJBYLDCY-IBGZPJMESA-N 1 0 375.476 3.270 50 0 GGAARO CN(CCO)C(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000095529762 208230647 /nfs/dbraw/zinc/23/06/47/208230647.db2.gz NHOQTEVUHDRKCC-UHFFFAOYSA-N 1 0 382.932 3.294 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ncoc1C ZINC000095530704 208230861 /nfs/dbraw/zinc/23/08/61/208230861.db2.gz CVIPQKGASALHRO-IBGZPJMESA-N 1 0 385.508 3.408 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc[nH]c1C ZINC000095531322 208231123 /nfs/dbraw/zinc/23/11/23/208231123.db2.gz FHUWEKJLKJSHEI-LJQANCHMSA-N 1 0 395.547 3.291 50 0 GGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000096140938 208271741 /nfs/dbraw/zinc/27/17/41/208271741.db2.gz AHJLLJCIDCQRIF-UHFFFAOYSA-N 1 0 382.487 3.104 50 0 GGAARO COc1cccc(C[NH+]2CCC(c3nnc(CN4CCCCC4)n3C)CC2)c1 ZINC000096140894 208272162 /nfs/dbraw/zinc/27/21/62/208272162.db2.gz GSGXZFCWFGXKPB-UHFFFAOYSA-N 1 0 383.540 3.189 50 0 GGAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000096149222 208276408 /nfs/dbraw/zinc/27/64/08/208276408.db2.gz IYDIDFMPWXYPOQ-UHFFFAOYSA-N 1 0 390.535 3.355 50 0 GGAARO COc1ccc(-c2ccccc2)cc1NC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000096153047 208276745 /nfs/dbraw/zinc/27/67/45/208276745.db2.gz IAZFJPCROKVICO-PMACEKPBSA-N 1 0 381.476 3.035 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096116156 208264819 /nfs/dbraw/zinc/26/48/19/208264819.db2.gz PPJSEGZYQGESOS-FXAWDEMLSA-N 1 0 380.492 3.006 50 0 biogenic GGAARO COCCN(C(=O)Nc1ccccc1Oc1cccnc1)C1CC[NH+](C)CC1 ZINC000096131307 208266006 /nfs/dbraw/zinc/26/60/06/208266006.db2.gz FXUSWCXAJZWNNJ-UHFFFAOYSA-N 1 0 384.480 3.448 50 0 GGAARO C[C@H](Cn1cncn1)[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000096131221 208266384 /nfs/dbraw/zinc/26/63/84/208266384.db2.gz SEPZEBKGSIGZHX-GFCCVEGCSA-N 1 0 376.917 3.188 50 0 GGAARO Cc1ncncc1C(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000096131243 208267033 /nfs/dbraw/zinc/26/70/33/208267033.db2.gz BFNITAOIJLGQMG-UHFFFAOYSA-N 1 0 386.927 3.465 50 0 GGAARO COc1ccc(-c2ccccc2)cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000096132668 208268200 /nfs/dbraw/zinc/26/82/00/208268200.db2.gz PXADTKBEEWHCFM-IBGZPJMESA-N 1 0 383.492 3.331 50 0 GGAARO CN(Cc1nc(CC2CC[NH+](C)CC2)nn1-c1ccccn1)c1ccccc1 ZINC000096138979 208268433 /nfs/dbraw/zinc/26/84/33/208268433.db2.gz ZZUHZGFBILSAFJ-UHFFFAOYSA-N 1 0 376.508 3.183 50 0 GGAARO CCn1ccc(-c2nc(CC3CC[NH+](C)CC3)nn2-c2ccccc2)cc1=O ZINC000096137092 208269174 /nfs/dbraw/zinc/26/91/74/208269174.db2.gz YANUEIFVQCYLGS-UHFFFAOYSA-N 1 0 377.492 3.000 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)no1 ZINC000096139160 208269362 /nfs/dbraw/zinc/26/93/62/208269362.db2.gz LCHXCHJCSQRDGA-IBGZPJMESA-N 1 0 385.508 3.408 50 0 GGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096132824 208269751 /nfs/dbraw/zinc/26/97/51/208269751.db2.gz KVOJCTILJGFGLC-RMKNXTFCSA-N 1 0 376.508 3.436 50 0 GGAARO C[N@@H+]1CCCN(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000096132663 208270064 /nfs/dbraw/zinc/27/00/64/208270064.db2.gz BKHGYDQEXPMCOX-UHFFFAOYSA-N 1 0 378.904 3.136 50 0 GGAARO Cc1cc[nH+]c(NCCNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000096163876 208280316 /nfs/dbraw/zinc/28/03/16/208280316.db2.gz WWQOSWCHAJPJBL-UHFFFAOYSA-N 1 0 381.480 3.250 50 0 GGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000096165464 208280493 /nfs/dbraw/zinc/28/04/93/208280493.db2.gz DWBNLMXOLBVGJI-UHFFFAOYSA-N 1 0 382.487 3.370 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCCNC(C)=O)CC2)C1 ZINC000096162249 208280883 /nfs/dbraw/zinc/28/08/83/208280883.db2.gz ILYATQKFGRYJKS-OAQYLSRUSA-N 1 0 385.552 3.021 50 0 GGAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000096164956 208282410 /nfs/dbraw/zinc/28/24/10/208282410.db2.gz DTDGQEDWHFMPNV-UHFFFAOYSA-N 1 0 383.540 3.282 50 0 GGAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](CCSc2ccccc2)CC1 ZINC000096164085 208282651 /nfs/dbraw/zinc/28/26/51/208282651.db2.gz QBEJAVVJNJLACE-UHFFFAOYSA-N 1 0 382.537 3.032 50 0 GGAARO Fc1ccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)cc1 ZINC000096180443 208283057 /nfs/dbraw/zinc/28/30/57/208283057.db2.gz KHSLGFQKFMMWFN-UHFFFAOYSA-N 1 0 380.471 3.377 50 0 GGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)C1 ZINC000096166745 208283625 /nfs/dbraw/zinc/28/36/25/208283625.db2.gz HAHNMRYIUHDUCM-KRWDZBQOSA-N 1 0 385.512 3.086 50 0 GGAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000096319054 208305872 /nfs/dbraw/zinc/30/58/72/208305872.db2.gz YTNXCRLQDGIVCC-LJQANCHMSA-N 1 0 378.480 3.029 50 0 GGAARO COc1cccc(-c2ccccc2NC(=O)NC[C@H]2CCC[N@H+](CCO)C2)c1 ZINC000097076495 208335997 /nfs/dbraw/zinc/33/59/97/208335997.db2.gz XPCTUVDTEQFDQU-QGZVFWFLSA-N 1 0 383.492 3.188 50 0 GGAARO CC(C)[NH+]1CCC(CC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1 ZINC000097155669 208341838 /nfs/dbraw/zinc/34/18/38/208341838.db2.gz XRDJQJNUJDAIGG-UHFFFAOYSA-N 1 0 380.536 3.327 50 0 GGAARO Cc1cc(C(N)=O)ccc1NC(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000097307131 208342452 /nfs/dbraw/zinc/34/24/52/208342452.db2.gz XKBLFZUPGGQNJP-LJQANCHMSA-N 1 0 384.455 3.192 50 0 GGAARO CC(=O)Nc1cc(NC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)ccc1F ZINC000097294857 208342505 /nfs/dbraw/zinc/34/25/05/208342505.db2.gz ILVOTASATFHSNT-UHFFFAOYSA-N 1 0 385.443 3.232 50 0 GGAARO Cc1cccc(Oc2ccccc2NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097179428 208342574 /nfs/dbraw/zinc/34/25/74/208342574.db2.gz UJJCGRIMFUMOEM-GOSISDBHSA-N 1 0 380.492 3.299 50 0 GGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)C1 ZINC000097288835 208343460 /nfs/dbraw/zinc/34/34/60/208343460.db2.gz LWMDOUVWHXUGCC-ZDUSSCGKSA-N 1 0 378.904 3.132 50 0 GGAARO Cc1cc(C(N)=O)ccc1NC(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000097307127 208343634 /nfs/dbraw/zinc/34/36/34/208343634.db2.gz XKBLFZUPGGQNJP-IBGZPJMESA-N 1 0 384.455 3.192 50 0 GGAARO Cc1n[nH]c(CN2CCC3(CC[NH+](C4CCCC4)CC3)[C@H](CO)C2)c1Cl ZINC000097173268 208343867 /nfs/dbraw/zinc/34/38/67/208343867.db2.gz UZVISKBNBRBNPZ-INIZCTEOSA-N 1 0 380.964 3.211 50 0 GGAARO Cc1n[nH]c(CN2CCC3(CC[NH+](C4CCCC4)CC3)[C@@H](CO)C2)c1Cl ZINC000097173270 208344636 /nfs/dbraw/zinc/34/46/36/208344636.db2.gz UZVISKBNBRBNPZ-MRXNPFEDSA-N 1 0 380.964 3.211 50 0 GGAARO OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@@H+]1Cc1ccccc1 ZINC000096901910 208327527 /nfs/dbraw/zinc/32/75/27/208327527.db2.gz LIBXYFHTJDLUAD-NRFANRHFSA-N 1 0 379.479 3.443 50 0 GGAARO O=C(CCc1[nH]nc2c1CCCC2)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000097402587 208354061 /nfs/dbraw/zinc/35/40/61/208354061.db2.gz HIIDOJHTWJQKBE-OAQYLSRUSA-N 1 0 384.499 3.314 50 0 GGAARO Cc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097492573 208354874 /nfs/dbraw/zinc/35/48/74/208354874.db2.gz CPMJFKWRHPPPQT-FQEVSTJZSA-N 1 0 382.508 3.463 50 0 GGAARO Cc1cccc([C@H](CNC(=O)Nc2ccccc2CC(=O)N(C)C)[NH+](C)C)c1 ZINC000097528055 208357653 /nfs/dbraw/zinc/35/76/53/208357653.db2.gz OHLUMMYWMOPXJM-FQEVSTJZSA-N 1 0 382.508 3.050 50 0 GGAARO Cc1ccc(S(=O)(=O)n2cc(-c3nc4c([nH]3)C[NH2+]CC4)c3ccccc32)cc1 ZINC000097529060 208357727 /nfs/dbraw/zinc/35/77/27/208357727.db2.gz ZWHYHMAGZLPEJF-UHFFFAOYSA-N 1 0 392.484 3.223 50 0 GGAARO CCC(=O)Nc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1C ZINC000097655378 208358304 /nfs/dbraw/zinc/35/83/04/208358304.db2.gz BOFWYQDBBJUYHV-SFHVURJKSA-N 1 0 388.512 3.108 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CCc3cn4ccccc4n3)CC2)o1 ZINC000097619124 208359120 /nfs/dbraw/zinc/35/91/20/208359120.db2.gz XFVGYKXNFGDOSJ-UHFFFAOYSA-N 1 0 380.492 3.197 50 0 GGAARO CCCSCC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC=C(C)C ZINC000097696195 208360781 /nfs/dbraw/zinc/36/07/81/208360781.db2.gz GSGOZABDUVDYQZ-UHFFFAOYSA-N 1 0 376.570 3.195 50 0 GGAARO Cc1c(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000097681816 208361025 /nfs/dbraw/zinc/36/10/25/208361025.db2.gz ZOCIBUUKTTTYPE-UHFFFAOYSA-N 1 0 394.494 3.336 50 0 GGAARO CCC[NH+]1CCC2(CCN(C(=O)Cc3cccc(Cl)c3)C[C@@H]2CO)CC1 ZINC000097679968 208361724 /nfs/dbraw/zinc/36/17/24/208361724.db2.gz LDGHHJFNIZEHSE-GOSISDBHSA-N 1 0 378.944 3.216 50 0 GGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000097772966 208362139 /nfs/dbraw/zinc/36/21/39/208362139.db2.gz AOOUDYSHKXFDKZ-KRWDZBQOSA-N 1 0 390.487 3.310 50 0 GGAARO Cc1ccc(C(=O)c2cc3c(cc2NC(=O)CC[NH+]2CCCC2)OCCO3)cc1 ZINC000098086828 208368143 /nfs/dbraw/zinc/36/81/43/208368143.db2.gz RQGJUFRYLKFKKU-UHFFFAOYSA-N 1 0 394.471 3.422 50 0 GGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000100226846 208374315 /nfs/dbraw/zinc/37/43/15/208374315.db2.gz NOYMGFWJBOBOLC-NSHGMRRFSA-N 1 0 396.487 3.173 50 0 GGAARO Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)N1C[C@H]2[C@H](C[NH+](C)C)[C@H]2C1 ZINC000101775446 208397333 /nfs/dbraw/zinc/39/73/33/208397333.db2.gz NTECLGSLQMUQMV-NNZMDNLPSA-N 1 0 387.915 3.165 50 0 GGAARO Cc1cc(Br)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000016577314 208797057 /nfs/dbraw/zinc/79/70/57/208797057.db2.gz GQYKKLLPJLZLHU-UHFFFAOYSA-N 1 0 389.359 3.345 50 0 GGAARO C[C@@H](NC(=O)N1CCC2(CC1)C[N@H+](C)CCCN2C)c1ccc(Cl)cc1 ZINC000426412306 533117663 /nfs/dbraw/zinc/11/76/63/533117663.db2.gz AETKKKPYQUSNBH-MRXNPFEDSA-N 1 0 378.948 3.213 50 0 GGAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)no3)nc21 ZINC000013595904 208785233 /nfs/dbraw/zinc/78/52/33/208785233.db2.gz WVHBGEPURSENHU-UHFFFAOYSA-N 1 0 394.884 3.463 50 0 GGAARO COc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022579778 208843766 /nfs/dbraw/zinc/84/37/66/208843766.db2.gz UGATZXNOUPRSME-FQEVSTJZSA-N 1 0 387.911 3.067 50 0 GGAARO CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127434 208863126 /nfs/dbraw/zinc/86/31/26/208863126.db2.gz QLRBYJMETRFEEE-UHFFFAOYSA-N 1 0 397.544 3.375 50 0 GGAARO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000223950149 208914263 /nfs/dbraw/zinc/91/42/63/208914263.db2.gz GSSYJXRKKNCTBH-UHFFFAOYSA-N 1 0 385.335 3.233 50 0 GGAARO COc1cc2c(cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n2C)c(OC)c1 ZINC000504240284 533152672 /nfs/dbraw/zinc/15/26/72/533152672.db2.gz JXCXYVGZJZLGQH-YJBOKZPZSA-N 1 0 385.508 3.190 50 0 GGAARO CC[C@H](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2ccccc2C1=O ZINC000230206143 209006432 /nfs/dbraw/zinc/00/64/32/209006432.db2.gz HANDTSCJNTVQLR-YHDSQAASSA-N 1 0 397.563 3.438 50 0 biogenic GGAARO Cc1ccc(-c2cccc(CN3CC[N@H+](C)[C@]4(C3)CCC(=O)N(C)CC4)c2)o1 ZINC000230184772 209005394 /nfs/dbraw/zinc/00/53/94/209005394.db2.gz VNMYZUSRRRHNHW-HSZRJFAPSA-N 1 0 381.520 3.384 50 0 GGAARO CCc1nnc(CNC(=O)c2cccc(-c3ccc(C[NH+](C)C)cn3)c2)s1 ZINC000299799856 209091437 /nfs/dbraw/zinc/09/14/37/209091437.db2.gz UYSRQIYWLIJKQZ-UHFFFAOYSA-N 1 0 381.505 3.154 50 0 GGAARO O=C(CSCC[NH+]1CCCC1)NCc1cc(-c2ccccc2Cl)on1 ZINC000299800544 209091444 /nfs/dbraw/zinc/09/14/44/209091444.db2.gz TZLCCOHQXPAJNB-UHFFFAOYSA-N 1 0 379.913 3.440 50 0 GGAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005122476 220831960 /nfs/dbraw/zinc/83/19/60/220831960.db2.gz UGKFTOYMSOSHHW-UHFFFAOYSA-N 1 0 387.461 3.259 50 0 GGAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3conc3-c3ccccc3)cc2C1 ZINC000299802903 209092959 /nfs/dbraw/zinc/09/29/59/209092959.db2.gz XYGNXPAADPZQKA-UHFFFAOYSA-N 1 0 379.464 3.084 50 0 GGAARO Cc1ccc2c(N3CCn4nc(CNc5ncccn5)cc4C3)cc[nH+]c2c1C ZINC000299801223 209093073 /nfs/dbraw/zinc/09/30/73/209093073.db2.gz WVLFYDXCRMCOBE-UHFFFAOYSA-N 1 0 385.475 3.470 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1ccccc1Cl ZINC000299800525 209091749 /nfs/dbraw/zinc/09/17/49/209091749.db2.gz SUXXAOLURDWWSZ-UNMCSNQZSA-N 1 0 397.950 3.176 50 0 GGAARO Cc1c(C(=O)NCC[C@H]2CCC[N@H+]2C)sc2ncnc(NCc3ccco3)c12 ZINC000299797477 209091483 /nfs/dbraw/zinc/09/14/83/209091483.db2.gz ATZMISHDFAKMEG-CQSZACIVSA-N 1 0 399.520 3.419 50 0 GGAARO CCc1c(C(=O)N(C)Cc2ccccc2)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC ZINC000299794865 209090947 /nfs/dbraw/zinc/09/09/47/209090947.db2.gz KQZXXONKNIJMGY-HXUWFJFHSA-N 1 0 395.547 3.476 50 0 GGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000240203788 209017343 /nfs/dbraw/zinc/01/73/43/209017343.db2.gz JTIIJRQPGWAMCM-PLACYPQZSA-N 1 0 375.557 3.042 50 0 GGAARO O=C1C[C@H](C[N@H+]2CCCN(Cc3ccccc3F)CC2)CN1c1ccccc1 ZINC000299793114 209090753 /nfs/dbraw/zinc/09/07/53/209090753.db2.gz JZSHBJIWRUXDEP-LJQANCHMSA-N 1 0 381.495 3.387 50 0 GGAARO CCc1nnc(NC(=O)CC[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000244707969 209021622 /nfs/dbraw/zinc/02/16/22/209021622.db2.gz KKZCUKMINOYGSN-UHFFFAOYSA-N 1 0 388.472 3.090 50 0 GGAARO CCc1nn2c(nc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)cc2=O)s1 ZINC000244724581 209023452 /nfs/dbraw/zinc/02/34/52/209023452.db2.gz MWTCUZGONYJEEC-UHFFFAOYSA-N 1 0 378.501 3.274 50 0 GGAARO O[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000244723736 209024144 /nfs/dbraw/zinc/02/41/44/209024144.db2.gz MGJPYLULIRMGKG-RBUKOAKNSA-N 1 0 377.444 3.156 50 0 GGAARO Fc1ccc([C@H]2CN(CCN3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000244748718 209024411 /nfs/dbraw/zinc/02/44/11/209024411.db2.gz ONBTZMWLZOTDEX-HSZRJFAPSA-N 1 0 383.511 3.017 50 0 GGAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncn2)C1 ZINC000244858475 209025124 /nfs/dbraw/zinc/02/51/24/209025124.db2.gz VLWIDLCKLWYPRU-OTVXOJSOSA-N 1 0 377.414 3.027 50 0 GGAARO C[NH+](C)CC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000299791918 209090304 /nfs/dbraw/zinc/09/03/04/209090304.db2.gz DRROBBBXQHKRCK-AWEZNQCLSA-N 1 0 378.394 3.354 50 0 GGAARO COc1ccc(CN(CCO)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cc1 ZINC000299783036 209089595 /nfs/dbraw/zinc/08/95/95/209089595.db2.gz GVQRENTZZFPDKH-ZRBLBEILSA-N 1 0 394.515 3.242 50 0 GGAARO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C2CC2)C4)cc1 ZINC000299787155 209088637 /nfs/dbraw/zinc/08/86/37/209088637.db2.gz OZPKGIOUIQXTCV-MRXNPFEDSA-N 1 0 395.528 3.319 50 0 GGAARO C[NH+](C)[C@H]1CN(C(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)C[C@@H]1O ZINC000299787324 209088190 /nfs/dbraw/zinc/08/81/90/209088190.db2.gz UNXWQMVPLDTIOF-ROUUACIJSA-N 1 0 378.394 3.119 50 0 GGAARO Cc1cc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)c2ccccc2[nH+]1 ZINC000299788507 209087880 /nfs/dbraw/zinc/08/78/80/209087880.db2.gz UJMOHMKDFBSLJQ-UHFFFAOYSA-N 1 0 375.476 3.176 50 0 GGAARO C[C@@H](c1ccc(C(=O)NCc2nc(-c3ccccn3)no2)o1)[NH+]1CCCCC1 ZINC000299789931 209087776 /nfs/dbraw/zinc/08/77/76/209087776.db2.gz AEBDUXDHPCKMCN-AWEZNQCLSA-N 1 0 381.436 3.202 50 0 GGAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCC(O)(c2cccnc2)CC1 ZINC000299774783 209087486 /nfs/dbraw/zinc/08/74/86/209087486.db2.gz JFQALLORPDBCRH-BDTNDASRSA-N 1 0 391.515 3.117 50 0 GGAARO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCC[NH+](C)C)c(C)c21 ZINC000008764862 221057104 /nfs/dbraw/zinc/05/71/04/221057104.db2.gz IOSKIYIDUQEQLH-UHFFFAOYSA-N 1 0 384.476 3.383 50 0 biogenic GGAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](CNC(=O)c3cccnc3)C1)CO2 ZINC000012754429 221225656 /nfs/dbraw/zinc/22/56/56/221225656.db2.gz HFFOMUDSMKPPTH-QGZVFWFLSA-N 1 0 393.487 3.008 50 0 GGAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000015062297 221328211 /nfs/dbraw/zinc/32/82/11/221328211.db2.gz BWCZKJYPDCBLAT-UHFFFAOYSA-N 1 0 381.476 3.026 50 0 GGAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000016622024 221366997 /nfs/dbraw/zinc/36/69/97/221366997.db2.gz UBJBUYOWEFBPJV-GOSISDBHSA-N 1 0 381.476 3.410 50 0 GGAARO COc1nccnc1-c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000426612617 533270165 /nfs/dbraw/zinc/27/01/65/533270165.db2.gz RUHJDQGMZWNYRT-INIZCTEOSA-N 1 0 382.489 3.246 50 0 GGAARO C[C@@H](C1CCN(C(=O)NCCc2cccc(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000426707283 533389429 /nfs/dbraw/zinc/38/94/29/533389429.db2.gz VSVXLZGMHQHODF-INIZCTEOSA-N 1 0 379.932 3.025 50 0 GGAARO COc1ccc(CN(C)C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)cc1O ZINC000426506845 533527102 /nfs/dbraw/zinc/52/71/02/533527102.db2.gz RCBQHTXAHQDRFH-IBGZPJMESA-N 1 0 383.492 3.032 50 0 GGAARO COc1ccc(CN(Cc2ccncc2)C(=O)NCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000426369847 533550007 /nfs/dbraw/zinc/55/00/07/533550007.db2.gz CWVLJETVHXOFSM-FQEVSTJZSA-N 1 0 382.508 3.286 50 0 GGAARO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000409413133 533652206 /nfs/dbraw/zinc/65/22/06/533652206.db2.gz ABVXSWSZNVSTLG-PXNSSMCTSA-N 1 0 384.499 3.447 50 0 GGAARO CC[C@H]1CN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cn2)CC[N@@H+]1C ZINC000039379506 136153694 /nfs/dbraw/zinc/15/36/94/136153694.db2.gz BOLPFFRCBVHDRG-KRWDZBQOSA-N 1 0 379.464 3.338 50 0 GGAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCN(c5ncccn5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000061999391 136156147 /nfs/dbraw/zinc/15/61/47/136156147.db2.gz MHZZOJLQEQTWPH-DNGCBJQESA-N 1 0 396.535 3.057 50 0 biogenic GGAARO CC(C)C[NH+]1CCN(C2CCN(c3ccc(N4CCCC4=O)cc3)CC2)CC1 ZINC000063856648 136156449 /nfs/dbraw/zinc/15/64/49/136156449.db2.gz LCSWUXNWKLJVLR-UHFFFAOYSA-N 1 0 384.568 3.056 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064800180 136157630 /nfs/dbraw/zinc/15/76/30/136157630.db2.gz PGBWYPXYJNGZFR-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799777 136157759 /nfs/dbraw/zinc/15/77/59/136157759.db2.gz MPCOOMWEHYONRV-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799779 136157766 /nfs/dbraw/zinc/15/77/66/136157766.db2.gz WTYOQFZIRXMZBN-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064800379 136157836 /nfs/dbraw/zinc/15/78/36/136157836.db2.gz ZNIVSBCPCBRXFO-UHFFFAOYSA-N 1 0 380.496 3.129 50 0 GGAARO Cc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000065363792 136163480 /nfs/dbraw/zinc/16/34/80/136163480.db2.gz ULAZLTHNRHUWCB-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO Cc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000065362871 136163540 /nfs/dbraw/zinc/16/35/40/136163540.db2.gz UCACNQQIUOLENU-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO Cc1cccc(N2CCC([NH2+]CCc3nc(-c4cccnc4)n[nH]3)CC2)c1C ZINC000065386754 136163845 /nfs/dbraw/zinc/16/38/45/136163845.db2.gz PGNLUXUAJNICDT-UHFFFAOYSA-N 1 0 376.508 3.285 50 0 GGAARO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000067673999 136164708 /nfs/dbraw/zinc/16/47/08/136164708.db2.gz OFECCGCVMUNXCL-XMMPIXPASA-N 1 0 399.579 3.133 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 ZINC000071639285 136165674 /nfs/dbraw/zinc/16/56/74/136165674.db2.gz SSENWBCTKBFTAQ-AWEZNQCLSA-N 1 0 396.457 3.060 50 0 GGAARO COc1ccccc1-c1ccc(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000071745440 136165922 /nfs/dbraw/zinc/16/59/22/136165922.db2.gz ARXSZQCLHCXDHL-CALCHBBNSA-N 1 0 382.508 3.230 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3nccc4occc43)CC2)C1)N1CCCC1 ZINC000071774588 136166660 /nfs/dbraw/zinc/16/66/60/136166660.db2.gz BXXSAVSXQTUGRY-QGZVFWFLSA-N 1 0 382.508 3.131 50 0 GGAARO CCCc1cncnc1N1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072158649 136167214 /nfs/dbraw/zinc/16/72/14/136167214.db2.gz DGDFTRFALIZMJM-FQEVSTJZSA-N 1 0 395.551 3.229 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(c3ncnc4c3CCC4)C2)CC1 ZINC000072173741 136167558 /nfs/dbraw/zinc/16/75/58/136167558.db2.gz DAJNGLIRYDLOPG-IBGZPJMESA-N 1 0 377.536 3.065 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3ncnc(C)c3C)C2)cc1OC ZINC000072174107 136167564 /nfs/dbraw/zinc/16/75/64/136167564.db2.gz OUJUZJIPFBABTC-LJQANCHMSA-N 1 0 384.524 3.254 50 0 GGAARO COc1cccc(C[N@@H+]2CCN(c3nccc4ccccc43)C[C@@H]2CCO)c1 ZINC000072421391 136169951 /nfs/dbraw/zinc/16/99/51/136169951.db2.gz IOOSELUZWJNGCH-FQEVSTJZSA-N 1 0 377.488 3.317 50 0 GGAARO Cc1nn(C)cc1C[N@@H+]1CCCC12CCN(c1cnc3ccccc3n1)CC2 ZINC000072431949 136170041 /nfs/dbraw/zinc/17/00/41/136170041.db2.gz CTOCYLCRCCFXPG-UHFFFAOYSA-N 1 0 376.508 3.307 50 0 GGAARO COc1cccc(C[N@@H+]2CCN(c3ccc4ccccc4n3)C[C@@H]2CCO)c1 ZINC000072426585 136170064 /nfs/dbraw/zinc/17/00/64/136170064.db2.gz OPROQMIYDHLING-FQEVSTJZSA-N 1 0 377.488 3.317 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)CC2)cc(C)[nH+]1 ZINC000072438756 136170619 /nfs/dbraw/zinc/17/06/19/136170619.db2.gz DHZMECATKXMIKF-UHFFFAOYSA-N 1 0 381.520 3.364 50 0 GGAARO Cc1nc(N2CCN(C(=O)CCC3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000072446674 136170789 /nfs/dbraw/zinc/17/07/89/136170789.db2.gz AUNRUNDRHNZBFH-UHFFFAOYSA-N 1 0 385.556 3.394 50 0 GGAARO COc1cccc([C@H]2CCCN2C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000077421796 136172035 /nfs/dbraw/zinc/17/20/35/136172035.db2.gz AFVWSRYZRAOUPZ-JOCHJYFZSA-N 1 0 379.504 3.424 50 0 GGAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000082100143 136173602 /nfs/dbraw/zinc/17/36/02/136173602.db2.gz MTJCGMXIHINQLA-OAQYLSRUSA-N 1 0 377.488 3.013 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c(C)c1 ZINC000082230691 136174637 /nfs/dbraw/zinc/17/46/37/136174637.db2.gz HNVYAAHWLKEETC-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000090607825 136176100 /nfs/dbraw/zinc/17/61/00/136176100.db2.gz SQNKWAVBDCCDGG-UHFFFAOYSA-N 1 0 381.867 3.192 50 0 GGAARO [NH3+]CC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000091444638 136176406 /nfs/dbraw/zinc/17/64/06/136176406.db2.gz BWZLQOGLWUUVCK-NRFANRHFSA-N 1 0 399.494 3.099 50 0 GGAARO Cc1cccnc1N1CCN(C(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)CC1 ZINC000091934115 136177367 /nfs/dbraw/zinc/17/73/67/136177367.db2.gz CZJPSDODVZRJSZ-SFHVURJKSA-N 1 0 382.508 3.492 50 0 GGAARO Cc1cccnc1N1CCN(C(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)CC1 ZINC000091934113 136177439 /nfs/dbraw/zinc/17/74/39/136177439.db2.gz CZJPSDODVZRJSZ-GOSISDBHSA-N 1 0 382.508 3.492 50 0 GGAARO OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095364309 136178210 /nfs/dbraw/zinc/17/82/10/136178210.db2.gz XCMFYLYVZFDWSH-GOSISDBHSA-N 1 0 379.426 3.262 50 0 GGAARO CCCc1cc(N2CCC([NH2+]Cc3cn4ccc(C)cc4n3)CC2)nc(C)n1 ZINC000095506433 136180196 /nfs/dbraw/zinc/18/01/96/136180196.db2.gz JRGRPUODCBVJKF-UHFFFAOYSA-N 1 0 378.524 3.452 50 0 GGAARO Cc1cc(N2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)nc(N)[nH+]1 ZINC000095511751 136180668 /nfs/dbraw/zinc/18/06/68/136180668.db2.gz TUHOLLHSQYYEQS-HNNXBMFYSA-N 1 0 399.926 3.085 50 0 GGAARO Cc1cc(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)on1 ZINC000095525488 136181391 /nfs/dbraw/zinc/18/13/91/136181391.db2.gz SYSPPFLNBWXCAZ-UHFFFAOYSA-N 1 0 396.535 3.324 50 0 GGAARO Cc1nc2sccc2c(N2CCC([NH2+][C@H]3Cc4ccccc4[C@@H]3N)CC2)n1 ZINC000096133416 136184113 /nfs/dbraw/zinc/18/41/13/136184113.db2.gz DYHVFAIFYVENJC-OALUTQOASA-N 1 0 379.533 3.183 50 0 GGAARO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)nc2ccccc12 ZINC000106973161 136191565 /nfs/dbraw/zinc/19/15/65/136191565.db2.gz QWLMZZBGPQUACO-NRFANRHFSA-N 1 0 396.579 3.289 50 0 GGAARO OCC[C@@H]1CN(c2cc(C(F)(F)F)ccn2)CC[N@@H+]1CCc1ccccc1 ZINC000106946551 136191712 /nfs/dbraw/zinc/19/17/12/136191712.db2.gz HBIPXHPXLNAGNY-GOSISDBHSA-N 1 0 379.426 3.216 50 0 GGAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000019793669 136202395 /nfs/dbraw/zinc/20/23/95/136202395.db2.gz DTXFGZHAUUPBDQ-UHFFFAOYSA-N 1 0 376.504 3.225 50 0 GGAARO [NH3+]C1CC(c2cc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncn2)C1 ZINC000223962532 136206111 /nfs/dbraw/zinc/20/61/11/136206111.db2.gz LUUBJWYAECZYOU-UHFFFAOYSA-N 1 0 378.307 3.315 50 0 GGAARO O=C(NCCN1CCc2ccccc21)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299756448 209081539 /nfs/dbraw/zinc/08/15/39/209081539.db2.gz FFDIGKMYGVFOSD-WWNPGLIZSA-N 1 0 375.516 3.391 50 0 GGAARO COc1cccc(-c2cccc(NC(=O)N3CCOC[C@@H](C[NH+](C)C)C3)c2)c1 ZINC000299756192 209082709 /nfs/dbraw/zinc/08/27/09/209082709.db2.gz DLSDGKZIQWFKFH-KRWDZBQOSA-N 1 0 383.492 3.404 50 0 GGAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000299756156 209082625 /nfs/dbraw/zinc/08/26/25/209082625.db2.gz IDBMWLNJBVPJDP-HNNXBMFYSA-N 1 0 377.432 3.219 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)COC2=O ZINC000299759136 209083255 /nfs/dbraw/zinc/08/32/55/209083255.db2.gz OVKYERJVHKDFSE-QGZVFWFLSA-N 1 0 379.460 3.391 50 0 GGAARO Cc1ccc2cc(-c3cccc(C(=O)NC[C@]4(O)CCC[NH2+]C4)c3)ccc2n1 ZINC000299757953 209083371 /nfs/dbraw/zinc/08/33/71/209083371.db2.gz LQBXLHPGTQKEPJ-QHCPKHFHSA-N 1 0 375.472 3.055 50 0 GGAARO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCC3=C(C)CCCC3(C)C)C[C@H]2O)no1 ZINC000299761893 209084031 /nfs/dbraw/zinc/08/40/31/209084031.db2.gz YZXCQBPEVQWKMM-IEBWSBKVSA-N 1 0 375.513 3.065 50 0 GGAARO Cc1cc(C[NH2+]C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)nn1C ZINC000299765663 209084168 /nfs/dbraw/zinc/08/41/68/209084168.db2.gz PQBXWZSZYWVETH-UHFFFAOYSA-N 1 0 395.551 3.160 50 0 GGAARO O=C1C[C@@H](C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CN1c1ccccc1 ZINC000299761000 209084353 /nfs/dbraw/zinc/08/43/53/209084353.db2.gz QGDYJYVWTNRHIP-FQEVSTJZSA-N 1 0 381.495 3.387 50 0 GGAARO Cc1ccc2[nH+]ccc(N3CCn4nc(CNC(=O)C5CCC5)cc4C3)c2c1 ZINC000299766227 209085051 /nfs/dbraw/zinc/08/50/51/209085051.db2.gz DHLGAAVZRPUFOJ-UHFFFAOYSA-N 1 0 375.476 3.176 50 0 GGAARO C[NH+]1CCC(O)(c2ccc3c(c2)CN(Cc2ccc(F)cc2F)CCO3)CC1 ZINC000299764881 209085117 /nfs/dbraw/zinc/08/51/17/209085117.db2.gz VFCPKXVQRATKPW-UHFFFAOYSA-N 1 0 388.458 3.273 50 0 GGAARO Cc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)o1 ZINC000299768721 209085207 /nfs/dbraw/zinc/08/52/07/209085207.db2.gz OUACVYDXFHAJHQ-QGZVFWFLSA-N 1 0 376.526 3.367 50 0 GGAARO O=C(Nc1ccccc1OC(F)(F)F)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000299767151 209085428 /nfs/dbraw/zinc/08/54/28/209085428.db2.gz GARJVYQBHAVEQQ-UHFFFAOYSA-N 1 0 387.402 3.040 50 0 GGAARO C[C@@H](CCNC(=O)Nc1ccc(Cl)c2ncccc12)[NH+]1CCN(C)CC1 ZINC000299774006 209086474 /nfs/dbraw/zinc/08/64/74/209086474.db2.gz HSWADGDAEZJFPY-AWEZNQCLSA-N 1 0 375.904 3.036 50 0 GGAARO Cn1nc2cccc(NC(=O)N3CCC[C@H]3c3ccc(C[NH+](C)C)cc3)c2n1 ZINC000299771270 209086623 /nfs/dbraw/zinc/08/66/23/209086623.db2.gz XPMPQKRTQMRMJI-IBGZPJMESA-N 1 0 378.480 3.399 50 0 GGAARO Cc1nc(-c2cccc(C(=O)N(C)[C@@H](C[NH+](C)C)c3ccccc3)c2)nn1C ZINC000299772976 209086700 /nfs/dbraw/zinc/08/67/00/209086700.db2.gz BILDTRKVEGROSB-FQEVSTJZSA-N 1 0 377.492 3.165 50 0 GGAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]Cc3cccc(F)c3)CC2)c1 ZINC000299772058 209086885 /nfs/dbraw/zinc/08/68/85/209086885.db2.gz XHOOREAOJIRXKB-UHFFFAOYSA-N 1 0 391.512 3.346 50 0 GGAARO Cc1cc(N2CCCN(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)CC2)cc[nH+]1 ZINC000426730267 533891401 /nfs/dbraw/zinc/89/14/01/533891401.db2.gz BTSLNHLQXAJQMW-INIZCTEOSA-N 1 0 378.480 3.249 50 0 GGAARO COc1ccccc1OC1CN(C(=O)NCC[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000426478994 534191536 /nfs/dbraw/zinc/19/15/36/534191536.db2.gz QPOJSPVYHSOWRA-KRWDZBQOSA-N 1 0 375.513 3.121 50 0 GGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 ZINC000426662237 534341729 /nfs/dbraw/zinc/34/17/29/534341729.db2.gz NLIGGRDGAIAWFU-QFIPXVFZSA-N 1 0 378.520 3.460 50 0 GGAARO C[C@@H]1CN(C(=O)c2ccc(-c3ccc(-c4c[nH]c(N)[nH+]4)cc3)cc2)CCCO1 ZINC000426373636 534409271 /nfs/dbraw/zinc/40/92/71/534409271.db2.gz OKXFTVFVAQHRRW-OAHLLOKOSA-N 1 0 376.460 3.407 50 0 GGAARO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000095496695 521044778 /nfs/dbraw/zinc/04/47/78/521044778.db2.gz DDSJTSTZQJKEFM-UHFFFAOYSA-N 1 0 376.501 3.383 50 0 GGAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)N1CCC2(CCCO2)CC1 ZINC000426566793 534543788 /nfs/dbraw/zinc/54/37/88/534543788.db2.gz CGCCTIKJLOQSEJ-IBGZPJMESA-N 1 0 375.488 3.317 50 0 GGAARO O=C(c1c[nH]nc1-c1cccs1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426477712 534651488 /nfs/dbraw/zinc/65/14/88/534651488.db2.gz JVUMERCGDSBEQV-UHFFFAOYSA-N 1 0 392.528 3.454 50 0 GGAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@@H]1Cn1cccn1 ZINC000426535695 534821157 /nfs/dbraw/zinc/82/11/57/534821157.db2.gz TUYJPJFVIZOTNR-JOCHJYFZSA-N 1 0 395.551 3.012 50 0 GGAARO CCC[NH+]1CCC(NC(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)CC1 ZINC000426517522 528198215 /nfs/dbraw/zinc/19/82/15/528198215.db2.gz BMISDQKMENVHRX-UHFFFAOYSA-N 1 0 382.508 3.373 50 0 GGAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3ccccc3C(N)=O)c2)C1 ZINC000426641320 528217741 /nfs/dbraw/zinc/21/77/41/528217741.db2.gz FIRMNFYCNIDTHR-KRWDZBQOSA-N 1 0 379.504 3.304 50 0 GGAARO CCC[N@@H+]1CCC[C@H](NC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)C1 ZINC000426633809 528226731 /nfs/dbraw/zinc/22/67/31/528226731.db2.gz GNTSQPZPRJAUBZ-KRWDZBQOSA-N 1 0 375.513 3.122 50 0 GGAARO CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-c3ccccc3C(N)=O)c2)C1 ZINC000426641321 528227314 /nfs/dbraw/zinc/22/73/14/528227314.db2.gz FIRMNFYCNIDTHR-QGZVFWFLSA-N 1 0 379.504 3.304 50 0 GGAARO CCN(Cc1noc(C2CCC2)n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426563513 528894592 /nfs/dbraw/zinc/89/45/92/528894592.db2.gz SURHFYUNLXBVQG-GOSISDBHSA-N 1 0 383.496 3.143 50 0 GGAARO CC[NH+]1CCC(CCNC(=O)N(C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000426701440 528962666 /nfs/dbraw/zinc/96/26/66/528962666.db2.gz OUMRRSFCSXIMMH-UHFFFAOYSA-N 1 0 387.503 3.479 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(OC)cc1)Cc1ccccn1 ZINC000426431007 529077969 /nfs/dbraw/zinc/07/79/69/529077969.db2.gz HPCNQHRKQQACGG-HXUWFJFHSA-N 1 0 382.508 3.286 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(OC)cc1)Cc1ccccn1 ZINC000426431006 529104032 /nfs/dbraw/zinc/10/40/32/529104032.db2.gz HPCNQHRKQQACGG-FQEVSTJZSA-N 1 0 382.508 3.286 50 0 GGAARO CC(C)[C@@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)C[C@H]1NC(=O)N(C)C ZINC000095525387 535260869 /nfs/dbraw/zinc/26/08/69/535260869.db2.gz JAVBEORDFDNRJI-PKOBYXMFSA-N 1 0 376.520 3.022 50 0 GGAARO CC[NH+]1CCC(CC(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)CC1 ZINC000082087684 535444161 /nfs/dbraw/zinc/44/41/61/535444161.db2.gz FUFHDJLZHKXGOK-OAHLLOKOSA-N 1 0 377.916 3.026 50 0 GGAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(N2CCOCC2)ccc1Cl ZINC000096131729 535506819 /nfs/dbraw/zinc/50/68/19/535506819.db2.gz OUYQILGPTDDUHH-INIZCTEOSA-N 1 0 380.920 3.173 50 0 GGAARO C[NH+](C)Cc1ccc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc1 ZINC000091526687 536013094 /nfs/dbraw/zinc/01/30/94/536013094.db2.gz LXRBKYWBUCYOCC-FQEVSTJZSA-N 1 0 376.508 3.167 50 0 GGAARO CCc1cnc(C)nc1N1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000095501307 536020135 /nfs/dbraw/zinc/02/01/35/536020135.db2.gz SGWVJKRLAPRMAC-UHFFFAOYSA-N 1 0 376.508 3.292 50 0 GGAARO COc1cccc2c(C)cc(N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)nc12 ZINC000091985672 536931546 /nfs/dbraw/zinc/93/15/46/536931546.db2.gz PPCWQUSLBCKPQE-UHFFFAOYSA-N 1 0 377.492 3.259 50 0 GGAARO COc1cccc(-c2cccc(N3CCC([N@@H+]4CCO[C@@H](CCO)C4)CC3)c2)c1 ZINC000023158971 537065452 /nfs/dbraw/zinc/06/54/52/537065452.db2.gz COBAMTOFKNJOHN-DEOSSOPVSA-N 1 0 396.531 3.414 50 0 GGAARO CC(C)n1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)N[C@H]3CCC[C@H]3O)C[N@H+](C)[C@@H]1C2 ZINC000003777909 560189437 /nfs/dbraw/zinc/18/94/37/560189437.db2.gz IMSDOBUYDTVEHN-ILMFXRJHSA-N 1 0 395.547 3.212 50 0 in-vitro GGAARO O=c1c2[nH]c3ccc(Br)cc3c2ncn1CC[NH+]1CCCCC1 ZINC000002296049 564186832 /nfs/dbraw/zinc/18/68/32/564186832.db2.gz HDTLJUPHFVWSSM-UHFFFAOYSA-N 1 0 375.270 3.126 50 0 GGAARO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002781990 564190341 /nfs/dbraw/zinc/19/03/41/564190341.db2.gz IFFITRASGDEDID-UHFFFAOYSA-N 1 0 380.842 3.289 50 0 GGAARO COc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000002862394 564191297 /nfs/dbraw/zinc/19/12/97/564191297.db2.gz PIMJKHLPVKDZKR-UHFFFAOYSA-N 1 0 384.245 3.258 50 0 GGAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000004657448 564205345 /nfs/dbraw/zinc/20/53/45/564205345.db2.gz IMGMBCCOKVGZLZ-GFCCVEGCSA-N 1 0 393.281 3.173 50 0 GGAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000004725211 564206266 /nfs/dbraw/zinc/20/62/66/564206266.db2.gz KXZCIELTFRMJDA-UHFFFAOYSA-N 1 0 397.313 3.361 50 0 GGAARO Brc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000006661654 564225870 /nfs/dbraw/zinc/22/58/70/564225870.db2.gz HPYAYPGPAFBOEI-UHFFFAOYSA-N 1 0 390.310 3.307 50 0 GGAARO O[C@H](COc1ccc(Br)cc1Br)C[NH+]1CCCCC1 ZINC000012420305 564268356 /nfs/dbraw/zinc/26/83/56/564268356.db2.gz XFENTMBHMAFAAY-LBPRGKRZSA-N 1 0 393.119 3.437 50 0 GGAARO COC(=O)c1c2ccc(C[NH2+]CCCCO)c(Cl)c2sc1NC(C)=O ZINC000009943103 564255470 /nfs/dbraw/zinc/25/54/70/564255470.db2.gz AMCFTBXHSIZBMI-UHFFFAOYSA-N 1 0 384.885 3.162 50 0 GGAARO Cc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccn(C)n3)nc21 ZINC000011695511 564264557 /nfs/dbraw/zinc/26/45/57/564264557.db2.gz XKJTUMXYSLKMQG-UHFFFAOYSA-N 1 0 377.901 3.200 50 0 GGAARO Clc1cccc(-c2noc(CN3CCC([NH+]4CCSCC4)CC3)n2)c1 ZINC000011873083 564266077 /nfs/dbraw/zinc/26/60/77/564266077.db2.gz FVCXPYLFTOLTLM-UHFFFAOYSA-N 1 0 378.929 3.403 50 0 GGAARO C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Br)cc2Cl)CC1 ZINC000012381176 564267137 /nfs/dbraw/zinc/26/71/37/564267137.db2.gz DAHCPTOAMPBVEF-UHFFFAOYSA-N 1 0 389.721 3.470 50 0 GGAARO O[C@@H](COc1ccc(Br)cc1Br)C[NH+]1CCCC1 ZINC000012420315 564268182 /nfs/dbraw/zinc/26/81/82/564268182.db2.gz GFDINWKIYZDYNG-LLVKDONJSA-N 1 0 379.092 3.047 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1csnn1 ZINC000012595740 564269402 /nfs/dbraw/zinc/26/94/02/564269402.db2.gz PYQMCDWATFMJPC-OAHLLOKOSA-N 1 0 378.929 3.218 50 0 GGAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)s1 ZINC000013647862 564277151 /nfs/dbraw/zinc/27/71/51/564277151.db2.gz BUQZBDRNZPXTRO-GFCCVEGCSA-N 1 0 395.388 3.444 50 0 GGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOc2ccc(Br)cc2)C1 ZINC000013571701 564277527 /nfs/dbraw/zinc/27/75/27/564277527.db2.gz CYYQCICIVGWIRA-HLLBOEOZSA-N 1 0 386.330 3.183 50 0 GGAARO Cn1cc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)[NH+](C)C)c2ccccc21 ZINC000021696027 564311676 /nfs/dbraw/zinc/31/16/76/564311676.db2.gz JPWCMBYGXGQWKO-OAHLLOKOSA-N 1 0 397.953 3.474 50 0 GGAARO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1cc(F)ccc1F ZINC000023127706 564322101 /nfs/dbraw/zinc/32/21/01/564322101.db2.gz DBCKWPNWZGPYTC-UHFFFAOYSA-N 1 0 386.489 3.217 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000023127622 564322177 /nfs/dbraw/zinc/32/21/77/564322177.db2.gz DPDPGVORJDZESL-UHFFFAOYSA-N 1 0 386.945 3.282 50 0 GGAARO O=S(=O)(Cc1ccccc1F)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127737 564322351 /nfs/dbraw/zinc/32/23/51/564322351.db2.gz XJTVWRHUWIPINC-UHFFFAOYSA-N 1 0 382.526 3.219 50 0 GGAARO CCOC(=O)c1csc(N2[NH2+]C3=C(CCCCC3)[C@@]2(O)C(F)(F)F)n1 ZINC000025186018 564336849 /nfs/dbraw/zinc/33/68/49/564336849.db2.gz JUJKOZMSYQVHBS-LKFCYVNXSA-N 1 0 377.388 3.327 50 0 GGAARO CN(Cc1nnc(SCC[NH+]2CCCC2)n1C)Cc1cccc(Cl)c1 ZINC000055182662 564615860 /nfs/dbraw/zinc/61/58/60/564615860.db2.gz YBRRQDJROABRGA-UHFFFAOYSA-N 1 0 379.961 3.288 50 0 GGAARO Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCC[NH+]1CCCCC1 ZINC000065306249 564742894 /nfs/dbraw/zinc/74/28/94/564742894.db2.gz ZAGODUCWMZAKSW-UHFFFAOYSA-N 1 0 379.917 3.459 50 0 GGAARO CN1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)CCC[N@@H+]2C ZINC000067773607 564798865 /nfs/dbraw/zinc/79/88/65/564798865.db2.gz WDFFGJDHHNGQBV-UHFFFAOYSA-N 1 0 384.351 3.164 50 0 GGAARO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090609030 564870436 /nfs/dbraw/zinc/87/04/36/564870436.db2.gz UABADSZVESQNRX-CYBMUJFWSA-N 1 0 392.949 3.071 50 0 GGAARO Cc1cc(S(=O)(=O)N2CCCSC[C@@H]2C[NH+](C)C)c(Cl)cc1Cl ZINC000090608979 564870622 /nfs/dbraw/zinc/87/06/22/564870622.db2.gz NVOFPMGEMNKTNB-LBPRGKRZSA-N 1 0 397.393 3.360 50 0 GGAARO O=S(=O)(Cc1ccc(Cl)cc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090609038 564870722 /nfs/dbraw/zinc/87/07/22/564870722.db2.gz RZFPVJGJVLJDML-QGZVFWFLSA-N 1 0 388.986 3.073 50 0 GGAARO CN(Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)o1)S(C)(=O)=O ZINC000107021483 564993497 /nfs/dbraw/zinc/99/34/97/564993497.db2.gz CJBJYPZDOQUXGQ-CQSZACIVSA-N 1 0 382.913 3.314 50 0 GGAARO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575616963 566277148 /nfs/dbraw/zinc/27/71/48/566277148.db2.gz UDFZKOSMYQNJPD-UHFFFAOYSA-N 1 0 392.949 3.071 50 0 GGAARO Cc1csc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000670455696 566363369 /nfs/dbraw/zinc/36/33/69/566363369.db2.gz LPGNYDMOZQHAAC-SFHVURJKSA-N 1 0 378.563 3.290 50 0 GGAARO C[C@]([NH3+])(C(=O)Nc1cc2c([nH]c1=O)CCCC2)c1ccc(Br)cc1 ZINC000653192215 566657484 /nfs/dbraw/zinc/65/74/84/566657484.db2.gz IZGSEQHRBPLZEJ-GOSISDBHSA-N 1 0 390.281 3.241 50 0 GGAARO COc1cc(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC000641590594 567443324 /nfs/dbraw/zinc/44/33/24/567443324.db2.gz UATYILPTHNYPCS-UHFFFAOYSA-N 1 0 393.336 3.108 50 0 GGAARO COc1cccc2c1OC[C@H](CNC(=O)c1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000096140658 570213201 /nfs/dbraw/zinc/21/32/01/570213201.db2.gz GGKXRMORWXEFCJ-SFHVURJKSA-N 1 0 380.488 3.272 50 0 GGAARO COc1ccc([C@H](CNC(=O)CCc2nc3ccccc3[nH]2)[NH+]2CCCC2)cc1 ZINC000011563823 570230009 /nfs/dbraw/zinc/23/00/09/570230009.db2.gz OZNNYXNMXBRYNA-NRFANRHFSA-N 1 0 392.503 3.457 50 0 GGAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccc(C)cc3)CC2)C1 ZINC000012280381 570230312 /nfs/dbraw/zinc/23/03/12/570230312.db2.gz CCGVSFCIBAFANS-VXKWHMMOSA-N 1 0 399.579 3.457 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccncc1 ZINC000011614678 570235966 /nfs/dbraw/zinc/23/59/66/570235966.db2.gz MMQDYPOTFDZCLB-GOSISDBHSA-N 1 0 397.862 3.338 50 0 GGAARO O=C(N[C@@H](c1ccco1)c1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000045155214 570255397 /nfs/dbraw/zinc/25/53/97/570255397.db2.gz YQOOGESESHYPBG-OAQYLSRUSA-N 1 0 383.492 3.123 50 0 GGAARO CC(C)CC[N@@H+]1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@H]1CCO ZINC000104411167 570257853 /nfs/dbraw/zinc/25/78/53/570257853.db2.gz AIHWBIUCQSYWNC-LJQANCHMSA-N 1 0 390.959 3.440 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104412980 570258080 /nfs/dbraw/zinc/25/80/80/570258080.db2.gz QNZHWOVYHKGTOY-XMMPIXPASA-N 1 0 390.531 3.250 50 0 GGAARO CCOc1ccccc1CN1CCN(Cc2cc(F)cc(F)c2)C[C@H]1CCO ZINC000104457833 570258482 /nfs/dbraw/zinc/25/84/82/570258482.db2.gz QSSVSNWQAPUNEP-OAQYLSRUSA-N 1 0 390.474 3.432 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(Cc3c(F)cccc3Cl)C[C@H]2CCO)CC1 ZINC000104505922 570259178 /nfs/dbraw/zinc/25/91/78/570259178.db2.gz SAIYTMOPMHWBAE-GOSISDBHSA-N 1 0 397.966 3.221 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3nccs3)C[C@H]2CCO)cc1 ZINC000104466591 570259219 /nfs/dbraw/zinc/25/92/19/570259219.db2.gz ZPLZCDCUJLVZAX-HXUWFJFHSA-N 1 0 396.560 3.311 50 0 GGAARO COc1cccc(CN2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)c1 ZINC000104488349 570259386 /nfs/dbraw/zinc/25/93/86/570259386.db2.gz XZJQZDDKCDBXGR-LZQJVVKJSA-N 1 0 384.564 3.389 50 0 GGAARO C[N@@H+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1CCO ZINC000104501594 570259414 /nfs/dbraw/zinc/25/94/14/570259414.db2.gz LDKBDFBUNVNUOV-JOCHJYFZSA-N 1 0 376.504 3.038 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1OC ZINC000104548314 570259756 /nfs/dbraw/zinc/25/97/56/570259756.db2.gz VPFWSFLFHGHPTQ-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)c1 ZINC000104554886 570259916 /nfs/dbraw/zinc/25/99/16/570259916.db2.gz ASPGUHCQLIFRGD-HXUWFJFHSA-N 1 0 379.504 3.245 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)cc(OC)c1 ZINC000104533827 570260068 /nfs/dbraw/zinc/26/00/68/570260068.db2.gz LMQYPOFINDJNOL-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)c(C)c1C ZINC000104553234 570260196 /nfs/dbraw/zinc/26/01/96/570260196.db2.gz RJKXEBVMISEJOE-OAQYLSRUSA-N 1 0 384.520 3.086 50 0 GGAARO COc1cc(CN2CCN(C/C=C/c3ccccc3)C[C@H]2CCO)cc(OC)c1 ZINC000105280537 570260675 /nfs/dbraw/zinc/26/06/75/570260675.db2.gz DGBBJPQZXMXPMM-MECCDNJOSA-N 1 0 396.531 3.286 50 0 GGAARO Cc1ccc(CN2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@H]2CCO)o1 ZINC000105624535 570260706 /nfs/dbraw/zinc/26/07/06/570260706.db2.gz QAUNCSVWPUNPQB-OAQYLSRUSA-N 1 0 394.519 3.057 50 0 GGAARO COc1ccc2cc(CN3CC[N@H+](C)[C@H](CO)C3)c(-c3cccs3)nc2c1 ZINC000106990931 570261336 /nfs/dbraw/zinc/26/13/36/570261336.db2.gz UPDWHJAKTGEFKK-KRWDZBQOSA-N 1 0 383.517 3.080 50 0 GGAARO Cc1c[nH]c(CN(C)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000584903374 570272481 /nfs/dbraw/zinc/27/24/81/570272481.db2.gz DHRXYBOJUKEQAA-UHFFFAOYSA-N 1 0 375.904 3.178 50 0 GGAARO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001522306 570279902 /nfs/dbraw/zinc/27/99/02/570279902.db2.gz CFROOZARMPHJFP-KRWDZBQOSA-N 1 0 379.456 3.153 50 0 GGAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OCC(N)=O ZINC000002340381 570283236 /nfs/dbraw/zinc/28/32/36/570283236.db2.gz WGLLOUBILAXFSI-UHFFFAOYSA-N 1 0 387.867 3.026 50 0 GGAARO CC1(C)Cc2cc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4Cc3cscn3)ccc2O1 ZINC000214972110 570283412 /nfs/dbraw/zinc/28/34/12/570283412.db2.gz JUEYCLWYGBNYBE-QFBILLFUSA-N 1 0 397.544 3.480 50 0 GGAARO CCOC(=O)CCCCC(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000002514766 570289135 /nfs/dbraw/zinc/28/91/35/570289135.db2.gz GFVFTGXEQFEVCF-UHFFFAOYSA-N 1 0 389.492 3.332 50 0 GGAARO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)c2ccc(Cl)cc2n1 ZINC000216038275 570294972 /nfs/dbraw/zinc/29/49/72/570294972.db2.gz JINYWVXQQMSWAD-HNNXBMFYSA-N 1 0 375.900 3.021 50 0 GGAARO C[NH+]1CCN(CCCNC(=O)C[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000216137325 570296412 /nfs/dbraw/zinc/29/64/12/570296412.db2.gz MAGKEMUJUZTEFP-JOCHJYFZSA-N 1 0 383.511 3.101 50 0 GGAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000002765193 570299530 /nfs/dbraw/zinc/29/95/30/570299530.db2.gz ASSARNSJJMNBLQ-UHFFFAOYSA-N 1 0 375.419 3.124 50 0 GGAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012308638 570300144 /nfs/dbraw/zinc/30/01/44/570300144.db2.gz LFXJMMAEIZOLDS-OAQYLSRUSA-N 1 0 387.593 3.333 50 0 GGAARO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCOCC1 ZINC000002828220 570305312 /nfs/dbraw/zinc/30/53/12/570305312.db2.gz STCDMFFFYRKOKE-UHFFFAOYSA-N 1 0 394.515 3.336 50 0 GGAARO CN1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000107407453 570309317 /nfs/dbraw/zinc/30/93/17/570309317.db2.gz OOUUTQMXEUUVLP-XMMPIXPASA-N 1 0 377.532 3.105 50 0 GGAARO Fc1ccc(O[C@@H]2CCCN(c3nc(-c4ccncc4)nc4c3C[NH2+]C4)C2)cc1 ZINC000072126441 570323611 /nfs/dbraw/zinc/32/36/11/570323611.db2.gz IUNCQCBYVKJESK-GOSISDBHSA-N 1 0 391.450 3.329 50 0 GGAARO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000218314067 570331248 /nfs/dbraw/zinc/33/12/48/570331248.db2.gz ICHSUUCEPUMRBV-UHFFFAOYSA-N 1 0 384.524 3.362 50 0 GGAARO CC[NH+](CC)CCN(C(=O)c1ccnn1C)c1nc2ccc(OC)cc2s1 ZINC000011695040 570343259 /nfs/dbraw/zinc/34/32/59/570343259.db2.gz DKGMVZGTOWACAR-UHFFFAOYSA-N 1 0 387.509 3.027 50 0 GGAARO CCn1nccc1C(=O)N(CCC[NH+](C)C)c1nc2ccc(F)cc2s1 ZINC000011695972 570343907 /nfs/dbraw/zinc/34/39/07/570343907.db2.gz IYOOLWVEJXBYPB-UHFFFAOYSA-N 1 0 375.473 3.250 50 0 GGAARO CC[NH+](CC)C[C@H](C)C(O)(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000003620065 570348991 /nfs/dbraw/zinc/34/89/91/570348991.db2.gz IDDKYGBAGCBUSM-HNNXBMFYSA-N 1 0 385.460 3.358 50 0 GGAARO COCc1nc(NCCOc2c(C)cccc2Cl)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000219237890 570350255 /nfs/dbraw/zinc/35/02/55/570350255.db2.gz MRHNIIGJGBHLRP-HDJSIYSDSA-N 1 0 376.888 3.280 50 0 GGAARO COc1cc2c(cc1OC)[C@@H](COc1ccc3c(C)cc(=O)oc3c1)[NH2+]CC2 ZINC000023230366 570351282 /nfs/dbraw/zinc/35/12/82/570351282.db2.gz QIYSCXNZGINAAJ-GOSISDBHSA-N 1 0 381.428 3.384 50 0 biogenic GGAARO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC[NH+]1CCCC1 ZINC000003989258 570353923 /nfs/dbraw/zinc/35/39/23/570353923.db2.gz SRSGVKWWVXWSJT-ATVHPVEESA-N 1 0 396.466 3.089 50 0 in-man GGAARO CC[NH+]1CCN(c2nc(-c3ccccc3)nc3cc(OC)c(OC)cc32)CC1 ZINC000004898911 570358700 /nfs/dbraw/zinc/35/87/00/570358700.db2.gz DJQYKFKMWKTQMN-UHFFFAOYSA-N 1 0 378.476 3.456 50 0 GGAARO Cc1nc2ccccc2n1[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)C1 ZINC000575616966 570359557 /nfs/dbraw/zinc/35/95/57/570359557.db2.gz LPTJIMUUSFKERF-ZBFHGGJFSA-N 1 0 393.443 3.314 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCn1cccc1 ZINC000604404220 570361046 /nfs/dbraw/zinc/36/10/46/570361046.db2.gz LSKIBAJNIQTWMW-LEWJYISDSA-N 1 0 375.557 3.398 50 0 biogenic GGAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000004907351 570361458 /nfs/dbraw/zinc/36/14/58/570361458.db2.gz UGLLOMNEMZUNCT-JOCHJYFZSA-N 1 0 393.487 3.477 50 0 GGAARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575618822 570365166 /nfs/dbraw/zinc/36/51/66/570365166.db2.gz CTJCNENVDRTWAG-QGZVFWFLSA-N 1 0 397.500 3.268 50 0 GGAARO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004279618 570365330 /nfs/dbraw/zinc/36/53/30/570365330.db2.gz XLRIGJMMMKZWPX-NRFANRHFSA-N 1 0 383.488 3.168 50 0 GGAARO O[C@@H](C[NH2+]CCNc1ccc(C(F)(F)F)cn1)CSc1ccc(F)cc1 ZINC000004299480 570366204 /nfs/dbraw/zinc/36/62/04/570366204.db2.gz RJXGSUDPEJLDNL-AWEZNQCLSA-N 1 0 389.418 3.394 50 0 GGAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2[nH+]1 ZINC000004324251 570367739 /nfs/dbraw/zinc/36/77/39/570367739.db2.gz GGHNKBJWKZZSEB-UHFFFAOYSA-N 1 0 385.464 3.193 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1cc2ccccc2o1 ZINC000575621452 570371271 /nfs/dbraw/zinc/37/12/71/570371271.db2.gz OJYZUXNVNYPSON-GOSISDBHSA-N 1 0 383.492 3.158 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc2c(c1)CCO2 ZINC000090607242 570383137 /nfs/dbraw/zinc/38/31/37/570383137.db2.gz CVSCHKLRLINREL-IBGZPJMESA-N 1 0 377.444 3.309 50 0 GGAARO COc1cccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)c1OC ZINC000004550739 570383674 /nfs/dbraw/zinc/38/36/74/570383674.db2.gz VFXSCYQCIZKWRX-UHFFFAOYSA-N 1 0 382.504 3.275 50 0 GGAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(-c3ccco3)c1)C2 ZINC000220419604 570386312 /nfs/dbraw/zinc/38/63/12/570386312.db2.gz NUINRQLQWUTBTQ-NRFANRHFSA-N 1 0 380.492 3.144 50 0 GGAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCC(=O)NC1CCCCC1 ZINC000004622043 570388383 /nfs/dbraw/zinc/38/83/83/570388383.db2.gz BQKNIIJFMQNCES-UHFFFAOYSA-N 1 0 383.492 3.208 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000004670892 570391870 /nfs/dbraw/zinc/39/18/70/570391870.db2.gz NJSNJYYYFPTSRX-UHFFFAOYSA-N 1 0 389.912 3.324 50 0 GGAARO COc1cccc(C[NH+]2CCC(N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000004703449 570395182 /nfs/dbraw/zinc/39/51/82/570395182.db2.gz SZKXSUXAAMGZDD-UHFFFAOYSA-N 1 0 395.547 3.490 50 0 GGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2F)CC1 ZINC000004711708 570396880 /nfs/dbraw/zinc/39/68/80/570396880.db2.gz QPLNEZIWFMKNAE-UHFFFAOYSA-N 1 0 385.439 3.007 50 0 GGAARO COc1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c(OC)c1 ZINC000004712105 570396892 /nfs/dbraw/zinc/39/68/92/570396892.db2.gz OUUWRNWSMROJQV-UHFFFAOYSA-N 1 0 395.547 3.490 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c(OC)c1OC ZINC000004745182 570401604 /nfs/dbraw/zinc/40/16/04/570401604.db2.gz ICLJWEUKNWPSAO-SFHVURJKSA-N 1 0 390.524 3.327 50 0 GGAARO COc1cccc(C(=O)N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000004745918 570401717 /nfs/dbraw/zinc/40/17/17/570401717.db2.gz KGXHTSQDAQKAOX-UHFFFAOYSA-N 1 0 393.531 3.118 50 0 GGAARO CC[NH+](CC)CC(=O)Nc1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1 ZINC000095851927 570404686 /nfs/dbraw/zinc/40/46/86/570404686.db2.gz QKPDFEFWUFGNIT-GOSISDBHSA-N 1 0 381.520 3.257 50 0 GGAARO CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000004845856 570411641 /nfs/dbraw/zinc/41/16/41/570411641.db2.gz UXOKYRMKTXJZEN-SWEABUAFSA-N 1 0 399.472 3.477 50 0 GGAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccccc1F ZINC000005019629 570424269 /nfs/dbraw/zinc/42/42/69/570424269.db2.gz FLURCBUXYAFQAU-UHFFFAOYSA-N 1 0 388.483 3.225 50 0 GGAARO COc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccccc1F ZINC000005019634 570424429 /nfs/dbraw/zinc/42/44/29/570424429.db2.gz CRDHMBULONEEEK-UHFFFAOYSA-N 1 0 388.483 3.225 50 0 GGAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000244795005 570433553 /nfs/dbraw/zinc/43/35/53/570433553.db2.gz QXXDQCCLQRMWJT-IYARVYRRSA-N 1 0 384.524 3.052 50 0 GGAARO Cn1c(CC[NH+]2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000006467795 570442707 /nfs/dbraw/zinc/44/27/07/570442707.db2.gz ALWKXGOVQCHBGZ-UHFFFAOYSA-N 1 0 398.532 3.403 50 0 GGAARO CC(C)Cc1ccc(CN2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)s1 ZINC000223393525 570463580 /nfs/dbraw/zinc/46/35/80/570463580.db2.gz QNTKTONVIXMZOF-FQEVSTJZSA-N 1 0 376.570 3.144 50 0 GGAARO CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC000035855945 570465233 /nfs/dbraw/zinc/46/52/33/570465233.db2.gz NCESDYLKAONMPK-FCHUYYIVSA-N 1 0 391.515 3.454 50 0 GGAARO CCc1ccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035876834 570469696 /nfs/dbraw/zinc/46/96/96/570469696.db2.gz CDRPPIDMSYXPCL-JOCHJYFZSA-N 1 0 391.515 3.141 50 0 GGAARO Cc1cc(C)cc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035876534 570469798 /nfs/dbraw/zinc/46/97/98/570469798.db2.gz YTDQBTTWYOXKGF-JOCHJYFZSA-N 1 0 391.515 3.195 50 0 GGAARO Cc1nn2cc(CNC(=O)c3cccc(C[NH+]4CCCCCC4)c3)nc2s1 ZINC000223711861 570480567 /nfs/dbraw/zinc/48/05/67/570480567.db2.gz SPJAUCOLOVOUOP-UHFFFAOYSA-N 1 0 383.521 3.405 50 0 GGAARO O=C(NCCCc1nc2cc(F)ccc2[nH]1)C1CC[NH+](Cc2ccco2)CC1 ZINC000223770713 570483955 /nfs/dbraw/zinc/48/39/55/570483955.db2.gz SYTPKFVCOQSHFR-UHFFFAOYSA-N 1 0 384.455 3.256 50 0 GGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000006700958 570489042 /nfs/dbraw/zinc/48/90/42/570489042.db2.gz BNCMJQGOQXEQAU-UHFFFAOYSA-N 1 0 387.867 3.131 50 0 GGAARO O=C(C[NH+]1CCCCCCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223903189 570489621 /nfs/dbraw/zinc/48/96/21/570489621.db2.gz WMMDTNCQYIUMQX-PXLSRWGNSA-N 1 0 381.520 3.429 50 0 GGAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 ZINC000006757602 570492119 /nfs/dbraw/zinc/49/21/19/570492119.db2.gz JRDFBQLDWXTYEH-OAQYLSRUSA-N 1 0 391.471 3.203 50 0 GGAARO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000006859916 570497163 /nfs/dbraw/zinc/49/71/63/570497163.db2.gz NKZLLBILNCCHNH-IOJLRTSASA-N 1 0 375.557 3.186 50 0 GGAARO CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005186900 570498270 /nfs/dbraw/zinc/49/82/70/570498270.db2.gz KDXOEFAFDQJXJA-HXUWFJFHSA-N 1 0 392.455 3.299 50 0 GGAARO COc1ccc(-c2ccc(C(=O)N(C)C[C@]3(C)CC[N@H+](C)C3)cc2)cc1CO ZINC000426627828 570502676 /nfs/dbraw/zinc/50/26/76/570502676.db2.gz QOSRFXULJCCWQF-HSZRJFAPSA-N 1 0 382.504 3.268 50 0 GGAARO Cc1c(C)c(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc12 ZINC000043746906 570503496 /nfs/dbraw/zinc/50/34/96/570503496.db2.gz HCVVNZPIPGXUFG-PXNSSMCTSA-N 1 0 398.503 3.169 50 0 GGAARO Cn1c(CC[NH+]2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000005207288 570506474 /nfs/dbraw/zinc/50/64/74/570506474.db2.gz VHWRNRAZZZBYNQ-UHFFFAOYSA-N 1 0 384.505 3.012 50 0 GGAARO Cc1c(OCC(=O)NCCC[NH+](C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000006623771 570507496 /nfs/dbraw/zinc/50/74/96/570507496.db2.gz QJYAPPWVEQMDLW-UHFFFAOYSA-N 1 0 394.471 3.215 50 0 biogenic GGAARO C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCC[NH+](C)C ZINC000006623752 570507620 /nfs/dbraw/zinc/50/76/20/570507620.db2.gz YOIVTEYMVHYJTG-MRXNPFEDSA-N 1 0 394.471 3.295 50 0 biogenic GGAARO COc1ccc(CNC(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1OC ZINC000022679115 570516427 /nfs/dbraw/zinc/51/64/27/570516427.db2.gz BZPAUGWMBIBSTD-QGZVFWFLSA-N 1 0 389.521 3.402 50 0 GGAARO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(C)cc(=O)oc2c1 ZINC000006658677 570522566 /nfs/dbraw/zinc/52/25/66/570522566.db2.gz AVOMYOQXYROUOU-UHFFFAOYSA-N 1 0 386.492 3.214 50 0 GGAARO COc1ccc(OC)c([N+]2=C3CCCCCN3[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000002974530 570524613 /nfs/dbraw/zinc/52/46/13/570524613.db2.gz QXZLMKYZXHPHCJ-QFIPXVFZSA-N 1 0 385.459 3.493 50 0 GGAARO COc1ccc(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCCC3)cc1 ZINC000002974598 570524618 /nfs/dbraw/zinc/52/46/18/570524618.db2.gz YNSRJJWPQTVVPT-HSZRJFAPSA-N 1 0 397.495 3.363 50 0 GGAARO CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000033318536 570525036 /nfs/dbraw/zinc/52/50/36/570525036.db2.gz DTFPCZKHZMLTNQ-UHFFFAOYSA-N 1 0 394.523 3.302 50 0 GGAARO O[C@]1(c2ccc3c(c2)OCCO3)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000002966426 570525561 /nfs/dbraw/zinc/52/55/61/570525561.db2.gz YDFWCPYDALPNKT-NRFANRHFSA-N 1 0 385.871 3.371 50 0 GGAARO COC(=O)[C@@H]1N(C(=O)C[NH2+]Cc2ccccc2)[C@@H](c2ccccc2)SC1(C)C ZINC000033894844 570529549 /nfs/dbraw/zinc/52/95/49/570529549.db2.gz RONZPIVXPXDNLA-VQTJNVASSA-N 1 0 398.528 3.371 50 0 GGAARO COC(=O)[C@H]1N(C(=O)C[NH2+]Cc2ccccc2)[C@H](c2ccccc2)SC1(C)C ZINC000033894843 570529745 /nfs/dbraw/zinc/52/97/45/570529745.db2.gz RONZPIVXPXDNLA-UXHICEINSA-N 1 0 398.528 3.371 50 0 GGAARO Cc1c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281281 570537840 /nfs/dbraw/zinc/53/78/40/570537840.db2.gz VJYYINAGPHLHTK-UHFFFAOYSA-N 1 0 396.922 3.460 50 0 GGAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765440 570543154 /nfs/dbraw/zinc/54/31/54/570543154.db2.gz FFDWLHFBQWXDEV-FQEVSTJZSA-N 1 0 387.549 3.254 50 0 GGAARO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022765488 570543261 /nfs/dbraw/zinc/54/32/61/570543261.db2.gz VNPCTZUPLYPBDY-QGZVFWFLSA-N 1 0 393.940 3.129 50 0 GGAARO CN(CC1CCOCC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000129041583 570543376 /nfs/dbraw/zinc/54/33/76/570543376.db2.gz KQWRCORLQRQXAB-UHFFFAOYSA-N 1 0 379.932 3.372 50 0 GGAARO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000009062781 570547866 /nfs/dbraw/zinc/54/78/66/570547866.db2.gz ZLNFXRJXJYFCKA-UHFFFAOYSA-N 1 0 393.531 3.256 50 0 GGAARO COc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022794305 570547922 /nfs/dbraw/zinc/54/79/22/570547922.db2.gz YCXLBPPWFDPTFQ-QFIPXVFZSA-N 1 0 381.520 3.031 50 0 GGAARO O=C(N[C@H](CO)c1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000410161003 570548722 /nfs/dbraw/zinc/54/87/22/570548722.db2.gz HKNJEIIOZFVLIR-HXUWFJFHSA-N 1 0 387.911 3.337 50 0 GGAARO COc1ccccc1CC[NH2+]Cc1ccc(OCc2nc(C)no2)c(OC)c1 ZINC000035287260 570551070 /nfs/dbraw/zinc/55/10/70/570551070.db2.gz HVGOIPSQPGCGRM-UHFFFAOYSA-N 1 0 383.448 3.307 50 0 GGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000009620380 570560317 /nfs/dbraw/zinc/56/03/17/570560317.db2.gz YMSYPTBUYWIOAA-UHFFFAOYSA-N 1 0 375.476 3.332 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(F)c2)N(CC[NH+](C)C)C1=O ZINC000005346066 570560924 /nfs/dbraw/zinc/56/09/24/570560924.db2.gz ANROOCJMFILNAG-LJQANCHMSA-N 1 0 396.418 3.048 50 0 GGAARO CSc1nn(CCC[NH+](C)C)c2nc3sc4c(c3c(=O)n12)CCCCC4 ZINC000040283839 570562091 /nfs/dbraw/zinc/56/20/91/570562091.db2.gz AETAPWJWLHDUHC-UHFFFAOYSA-N 1 0 391.566 3.048 50 0 GGAARO CC[NH+](CC)CCNC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccccc1 ZINC000006757726 570573609 /nfs/dbraw/zinc/57/36/09/570573609.db2.gz USGOIHBEPWYWGN-FXBPSFAMSA-N 1 0 379.504 3.224 50 0 GGAARO COC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000011661731 570576983 /nfs/dbraw/zinc/57/69/83/570576983.db2.gz MTJIJDFBEAAWGD-OAQYLSRUSA-N 1 0 380.488 3.300 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1snnc1C ZINC000011662091 570577039 /nfs/dbraw/zinc/57/70/39/570577039.db2.gz WXFSCJANBQFALX-QGZVFWFLSA-N 1 0 390.528 3.402 50 0 GGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000011664931 570578809 /nfs/dbraw/zinc/57/88/09/570578809.db2.gz RGMDHZFSZVKOQU-HXUWFJFHSA-N 1 0 385.552 3.440 50 0 GGAARO CC[C@H]1CN(C(=O)c2ccc(N(C)Cc3ncccc3C)nc2)CC[N@@H+]1C(C)C ZINC000011667867 570579384 /nfs/dbraw/zinc/57/93/84/570579384.db2.gz MRTOVCCAMVBCBE-FQEVSTJZSA-N 1 0 395.551 3.366 50 0 GGAARO COCCN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011667791 570579597 /nfs/dbraw/zinc/57/95/97/570579597.db2.gz IFSIYFOYSKGUSJ-OAQYLSRUSA-N 1 0 379.548 3.409 50 0 GGAARO CCOc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011761100 570581357 /nfs/dbraw/zinc/58/13/57/570581357.db2.gz GDILQTLVSRQJSW-IBGZPJMESA-N 1 0 385.552 3.040 50 0 GGAARO O=C(CCC1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000011769926 570582085 /nfs/dbraw/zinc/58/20/85/570582085.db2.gz ZMVSZUOCFNTXLW-KRWDZBQOSA-N 1 0 376.522 3.394 50 0 GGAARO Cc1ccc(-n2cc(C[NH2+]CCN3CCNC3=O)c(-c3cccc(C)c3)n2)cc1 ZINC000011773381 570582545 /nfs/dbraw/zinc/58/25/45/570582545.db2.gz CBXZVGXQDWYLHP-UHFFFAOYSA-N 1 0 389.503 3.271 50 0 GGAARO CCOc1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)ccc1O ZINC000011782611 570582548 /nfs/dbraw/zinc/58/25/48/570582548.db2.gz PLOJLGDOKNMGBB-SFHVURJKSA-N 1 0 390.524 3.077 50 0 GGAARO CCOc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)ccc1O ZINC000011782612 570582553 /nfs/dbraw/zinc/58/25/53/570582553.db2.gz PLOJLGDOKNMGBB-GOSISDBHSA-N 1 0 390.524 3.077 50 0 GGAARO COC(=O)c1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000011813745 570583510 /nfs/dbraw/zinc/58/35/10/570583510.db2.gz GCTDEHBYKAEDHF-NRFANRHFSA-N 1 0 392.499 3.177 50 0 GGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)COc2ccccc2)cc1 ZINC000011815598 570583773 /nfs/dbraw/zinc/58/37/73/570583773.db2.gz HBAMOKPKIDAYHK-UHFFFAOYSA-N 1 0 396.531 3.487 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[N@@H+]3CCCC[C@H]3C)cc21 ZINC000005408476 570585987 /nfs/dbraw/zinc/58/59/87/570585987.db2.gz CWLFZNJWZKXXNH-WBVHZDCISA-N 1 0 388.508 3.278 50 0 GGAARO CC[C@H](C)CNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000011821244 570586156 /nfs/dbraw/zinc/58/61/56/570586156.db2.gz JYKBEXYKQYFNIW-SFHVURJKSA-N 1 0 386.584 3.229 50 0 GGAARO c1ccc(Cc2noc(-c3ccc(N4CC[NH+](CC5CC5)CC4)nc3)n2)cc1 ZINC000011839762 570586733 /nfs/dbraw/zinc/58/67/33/570586733.db2.gz VXMQNQADRSTRIY-UHFFFAOYSA-N 1 0 375.476 3.254 50 0 GGAARO COc1ccc(/C=C/C[NH2+]C[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)cc1 ZINC000011842419 570587259 /nfs/dbraw/zinc/58/72/59/570587259.db2.gz KDYWRKIDHSYQIM-WMANONNTSA-N 1 0 384.495 3.491 50 0 GGAARO CC[C@H]1CN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000011844578 570588425 /nfs/dbraw/zinc/58/84/25/570588425.db2.gz NVSDRAIVTYARLY-KRWDZBQOSA-N 1 0 379.464 3.241 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000011873331 570589471 /nfs/dbraw/zinc/58/94/71/570589471.db2.gz WIXVHEZGXAAPRM-SFHVURJKSA-N 1 0 381.520 3.388 50 0 GGAARO CCOCc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)ccc1OC ZINC000011874685 570589902 /nfs/dbraw/zinc/58/99/02/570589902.db2.gz SESWEXVPAWIQID-SFHVURJKSA-N 1 0 386.492 3.467 50 0 GGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3cccc4cccnc43)on2)C1 ZINC000011874891 570589968 /nfs/dbraw/zinc/58/99/68/570589968.db2.gz RRIDVUNWBKAGJF-QGZVFWFLSA-N 1 0 394.475 3.358 50 0 GGAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000011878581 570590416 /nfs/dbraw/zinc/59/04/16/570590416.db2.gz YJIZJIIIWZEXDQ-SFHVURJKSA-N 1 0 375.944 3.046 50 0 GGAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c(OC)c1C ZINC000039413475 570591455 /nfs/dbraw/zinc/59/14/55/570591455.db2.gz SGQUZEAGIANKAS-HXUWFJFHSA-N 1 0 376.541 3.214 50 0 GGAARO COc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cc1OC ZINC000039518669 570592494 /nfs/dbraw/zinc/59/24/94/570592494.db2.gz WPKBUSWSJRQOLW-HXUWFJFHSA-N 1 0 376.541 3.153 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@H]2CCO)c(F)c1 ZINC000039500813 570592555 /nfs/dbraw/zinc/59/25/55/570592555.db2.gz AAYJRLRPJHWZOJ-QGZVFWFLSA-N 1 0 378.513 3.273 50 0 GGAARO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000039509400 570592795 /nfs/dbraw/zinc/59/27/95/570592795.db2.gz ZZICZQJNEFVAPE-HSZRJFAPSA-N 1 0 382.552 3.382 50 0 GGAARO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccc(CC(C)C)cc2)CC1 ZINC000011933282 570592799 /nfs/dbraw/zinc/59/27/99/570592799.db2.gz OPYQDWPVHPDJEU-UHFFFAOYSA-N 1 0 380.536 3.238 50 0 GGAARO Cn1cc(/C=C/C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000011932882 570592989 /nfs/dbraw/zinc/59/29/89/570592989.db2.gz YWFKKHJSMZQFHO-DORXLWPQSA-N 1 0 382.483 3.087 50 0 GGAARO Cn1cc(/C=C/C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000011932881 570593005 /nfs/dbraw/zinc/59/30/05/570593005.db2.gz YWFKKHJSMZQFHO-VQKOGROQSA-N 1 0 382.483 3.087 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccccn1 ZINC000011934193 570593548 /nfs/dbraw/zinc/59/35/48/570593548.db2.gz OJLQUEVOTLDANZ-UHFFFAOYSA-N 1 0 397.519 3.091 50 0 GGAARO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(C)n1 ZINC000011934549 570593653 /nfs/dbraw/zinc/59/36/53/570593653.db2.gz RFYGFIWPBDUDML-HXUWFJFHSA-N 1 0 388.556 3.004 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cn(C)c2ccccc12 ZINC000011938117 570594501 /nfs/dbraw/zinc/59/45/01/570594501.db2.gz IMHCMNRJQUUQPU-UHFFFAOYSA-N 1 0 396.579 3.447 50 0 GGAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1)N1CCCCO1 ZINC000011937909 570594515 /nfs/dbraw/zinc/59/45/15/570594515.db2.gz NKAMBLDJYYQOKC-UHFFFAOYSA-N 1 0 381.476 3.293 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3o2)CC1)[C@@H]1CCOC1 ZINC000011953754 570595875 /nfs/dbraw/zinc/59/58/75/570595875.db2.gz ZKOWLQUBODJYIA-QGZVFWFLSA-N 1 0 394.475 3.441 50 0 GGAARO CCC(CC)C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1 ZINC000011973548 570596675 /nfs/dbraw/zinc/59/66/75/570596675.db2.gz NMIRCYTYCPJABQ-INIZCTEOSA-N 1 0 399.539 3.072 50 0 GGAARO O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012004460 570598480 /nfs/dbraw/zinc/59/84/80/570598480.db2.gz NXZYKAAQRZIUOZ-AWEZNQCLSA-N 1 0 395.381 3.193 50 0 GGAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cccc3ccccc31)CC2 ZINC000012023427 570598730 /nfs/dbraw/zinc/59/87/30/570598730.db2.gz XVJZBHQPZDKNRE-QGZVFWFLSA-N 1 0 391.519 3.323 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012025608 570598774 /nfs/dbraw/zinc/59/87/74/570598774.db2.gz RHUBRDIPDKEHKC-OAQYLSRUSA-N 1 0 382.552 3.135 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000012022779 570599107 /nfs/dbraw/zinc/59/91/07/570599107.db2.gz VIZPSYIAIJDPPB-HXUWFJFHSA-N 1 0 382.504 3.411 50 0 GGAARO Cc1cc(C)cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 ZINC000012038772 570599837 /nfs/dbraw/zinc/59/98/37/570599837.db2.gz WEPSVKGBCMQJCI-LEWJYISDSA-N 1 0 386.536 3.112 50 0 GGAARO C[N@@H+]1CCCN(C(=O)[C@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)CC1 ZINC000012047948 570600415 /nfs/dbraw/zinc/60/04/15/570600415.db2.gz JYDHEGSXRIHZBU-QGZVFWFLSA-N 1 0 398.576 3.063 50 0 GGAARO C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)CC1 ZINC000012047946 570600449 /nfs/dbraw/zinc/60/04/49/570600449.db2.gz JYDHEGSXRIHZBU-KRWDZBQOSA-N 1 0 398.576 3.063 50 0 GGAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCc1cccc(F)c1F)C2 ZINC000012049279 570600905 /nfs/dbraw/zinc/60/09/05/570600905.db2.gz CNCAUNWQZJQEMY-AWEZNQCLSA-N 1 0 390.430 3.263 50 0 GGAARO COc1ccccc1-n1cc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)cn1 ZINC000012053398 570601701 /nfs/dbraw/zinc/60/17/01/570601701.db2.gz CJFJBLJRQAEZDH-UHFFFAOYSA-N 1 0 396.535 3.496 50 0 GGAARO COCCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012054432 570601706 /nfs/dbraw/zinc/60/17/06/570601706.db2.gz JNFMQEKYGMCLQQ-KRWDZBQOSA-N 1 0 386.458 3.455 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCc3cnccn3)C2)cc1 ZINC000012055235 570602166 /nfs/dbraw/zinc/60/21/66/570602166.db2.gz HDVZYEKEDSKOAI-QFIPXVFZSA-N 1 0 380.536 3.389 50 0 GGAARO CC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012056896 570602348 /nfs/dbraw/zinc/60/23/48/570602348.db2.gz OYARBFHQDFTJRY-IBGZPJMESA-N 1 0 385.552 3.052 50 0 GGAARO COC(=O)CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000012056868 570602666 /nfs/dbraw/zinc/60/26/66/570602666.db2.gz YXMCMPUFXCMKOQ-KRWDZBQOSA-N 1 0 388.508 3.108 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000012057165 570603100 /nfs/dbraw/zinc/60/31/00/570603100.db2.gz MXEZAXLVGKHDJJ-IBGZPJMESA-N 1 0 383.872 3.251 50 0 GGAARO O=C(c1coc(COc2ccccc2F)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012058070 570603520 /nfs/dbraw/zinc/60/35/20/570603520.db2.gz GNLLWCLWXOFBFG-UHFFFAOYSA-N 1 0 387.455 3.483 50 0 GGAARO COc1cccc(-c2nc(C[N@H+](C[C@H]3CCC(=O)N3)C(C)C)c(C)o2)c1OC ZINC000012072469 570603949 /nfs/dbraw/zinc/60/39/49/570603949.db2.gz WGEQBWURFQLLMB-OAHLLOKOSA-N 1 0 387.480 3.156 50 0 GGAARO CN(Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1cnccn1 ZINC000012072495 570603960 /nfs/dbraw/zinc/60/39/60/570603960.db2.gz RCSPGTRTDZEDIG-QFIPXVFZSA-N 1 0 398.551 3.113 50 0 GGAARO COc1cccc(-c2nc(C[N@H+](C[C@@H]3CCC(=O)N3)C(C)C)c(C)o2)c1OC ZINC000012072468 570604135 /nfs/dbraw/zinc/60/41/35/570604135.db2.gz WGEQBWURFQLLMB-HNNXBMFYSA-N 1 0 387.480 3.156 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cccnc3OC)C2)cc1 ZINC000012072794 570604147 /nfs/dbraw/zinc/60/41/47/570604147.db2.gz NRBOLQRBYIKBPC-IBGZPJMESA-N 1 0 397.519 3.126 50 0 GGAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[C@H](c2ccccc2)CC1 ZINC000012093569 570608143 /nfs/dbraw/zinc/60/81/43/570608143.db2.gz JMPNMTWRMRBGRG-FQEVSTJZSA-N 1 0 381.524 3.174 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc(C)ccc2-n2cccn2)C1 ZINC000012111807 570608602 /nfs/dbraw/zinc/60/86/02/570608602.db2.gz IQIGCWKFRZPPFV-JOCHJYFZSA-N 1 0 385.508 3.363 50 0 GGAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCCCn2cccn2)Cc2ccccc2O1 ZINC000012126372 570613027 /nfs/dbraw/zinc/61/30/27/570613027.db2.gz WQRJMGYHYDHKSP-HXUWFJFHSA-N 1 0 384.524 3.233 50 0 GGAARO Cc1nnc([C@H](C)[NH2+]C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)[nH]1 ZINC000012152886 570618101 /nfs/dbraw/zinc/61/81/01/570618101.db2.gz RNKARYUPJFPDIK-HNNXBMFYSA-N 1 0 396.539 3.105 50 0 GGAARO O=C(NC1CC1)c1cn(CC[C@@H]2CCCC[N@@H+]2C/C=C/c2ccccc2)nn1 ZINC000012148751 570618117 /nfs/dbraw/zinc/61/81/17/570618117.db2.gz ZIODJKOKADZCHN-ZGBFETHSSA-N 1 0 379.508 3.128 50 0 GGAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)C1 ZINC000012149835 570618196 /nfs/dbraw/zinc/61/81/96/570618196.db2.gz AIPVBDKYJOFJJK-MBAXHRRTSA-N 1 0 397.563 3.409 50 0 GGAARO O=C(CCC1CC[NH+](C2CCN(c3ccccc3)CC2)CC1)NC[C@@H]1CCCO1 ZINC000012209098 570626423 /nfs/dbraw/zinc/62/64/23/570626423.db2.gz CJPLLESZFKZSMQ-QHCPKHFHSA-N 1 0 399.579 3.443 50 0 GGAARO Cc1c(C(=O)NCCc2cccs2)sc2ncnc(NCC[NH+](C)C)c12 ZINC000012219265 570627089 /nfs/dbraw/zinc/62/70/89/570627089.db2.gz ZJXUPDYXVQXPHH-UHFFFAOYSA-N 1 0 389.550 3.007 50 0 GGAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1C1Cc2ccccc2C1 ZINC000012279007 570632390 /nfs/dbraw/zinc/63/23/90/570632390.db2.gz PFZNSEKRZNVZST-HXUWFJFHSA-N 1 0 382.479 3.343 50 0 GGAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CN4CCCC4=O)C3)c(C)o2)cc1 ZINC000012297174 570634114 /nfs/dbraw/zinc/63/41/14/570634114.db2.gz DHDYRMZQQYBKKG-KRWDZBQOSA-N 1 0 383.492 3.493 50 0 GGAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CN4CCCC4=O)C3)c(C)o2)cc1 ZINC000012297173 570634364 /nfs/dbraw/zinc/63/43/64/570634364.db2.gz DHDYRMZQQYBKKG-QGZVFWFLSA-N 1 0 383.492 3.493 50 0 GGAARO COCC[NH+]1CCC(CN(Cc2cc(CC(C)C)n[nH]2)Cc2ccncc2)CC1 ZINC000012301085 570635753 /nfs/dbraw/zinc/63/57/53/570635753.db2.gz HIIJJFXCNFVEKW-UHFFFAOYSA-N 1 0 399.583 3.364 50 0 GGAARO COCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012304325 570638132 /nfs/dbraw/zinc/63/81/32/570638132.db2.gz GLBGMDYNPFMONU-UHFFFAOYSA-N 1 0 381.520 3.277 50 0 GGAARO CCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012304283 570638186 /nfs/dbraw/zinc/63/81/86/570638186.db2.gz UMFWJDHHQFDNFW-OAQYLSRUSA-N 1 0 388.462 3.196 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(-n4ccnc4)cc3)C2)c1 ZINC000012306301 570639387 /nfs/dbraw/zinc/63/93/87/570639387.db2.gz HMMYUHJLYSVZCD-HXUWFJFHSA-N 1 0 390.487 3.275 50 0 GGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCCC[C@H]4C)CC3)CC2)n1 ZINC000012307410 570639898 /nfs/dbraw/zinc/63/98/98/570639898.db2.gz FDHHWDMYNQUOAA-HXUWFJFHSA-N 1 0 398.595 3.467 50 0 GGAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000012308323 570640275 /nfs/dbraw/zinc/64/02/75/570640275.db2.gz FSZZKPCRCCNDTO-UHFFFAOYSA-N 1 0 397.519 3.072 50 0 GGAARO CN(C(=O)C(=O)CCc1ccccc1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012314956 570640728 /nfs/dbraw/zinc/64/07/28/570640728.db2.gz SGMMMKRPAUFMPN-JOCHJYFZSA-N 1 0 390.527 3.279 50 0 GGAARO Cc1cccc(-n2ccnc2C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)c1 ZINC000012317415 570641778 /nfs/dbraw/zinc/64/17/78/570641778.db2.gz ZMQSEOVXGDPGOV-UHFFFAOYSA-N 1 0 396.535 3.032 50 0 GGAARO COc1ccc(C[N@H+]2CCC(=O)N(CCOc3ccccc3)CC2)c(C)c1C ZINC000012338074 570645203 /nfs/dbraw/zinc/64/52/03/570645203.db2.gz BDYUHXCMADXWRQ-UHFFFAOYSA-N 1 0 382.504 3.425 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnc(C)cn1 ZINC000012385832 570650777 /nfs/dbraw/zinc/65/07/77/570650777.db2.gz YALTVQUNKQUKCW-FQEVSTJZSA-N 1 0 396.535 3.210 50 0 GGAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000012385864 570650834 /nfs/dbraw/zinc/65/08/34/570650834.db2.gz ZQVGJFOVMALIPU-QFIPXVFZSA-N 1 0 387.476 3.386 50 0 GGAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012386784 570651218 /nfs/dbraw/zinc/65/12/18/570651218.db2.gz NFZWELVEOIONBF-QFIPXVFZSA-N 1 0 380.467 3.224 50 0 GGAARO COc1ccc(-n2cc(-c3ccnc(NCC[C@H]4CCC[N@@H+]4C)n3)cn2)cc1 ZINC000048063501 570654791 /nfs/dbraw/zinc/65/47/91/570654791.db2.gz SCGUOAPIMXHPLE-QGZVFWFLSA-N 1 0 378.480 3.234 50 0 GGAARO Cc1sc2ncnc(N3CCC[C@H](Cn4cc(C(C)(C)[NH3+])nn4)C3)c2c1C ZINC000048134999 570655823 /nfs/dbraw/zinc/65/58/23/570655823.db2.gz AYRULAMHGVKFTB-AWEZNQCLSA-N 1 0 385.541 3.010 50 0 GGAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC000012430245 570658534 /nfs/dbraw/zinc/65/85/34/570658534.db2.gz DDYXBBQZYJVMIX-UHFFFAOYSA-N 1 0 397.515 3.446 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCCC(=O)OC ZINC000012430895 570658925 /nfs/dbraw/zinc/65/89/25/570658925.db2.gz MMFIZSAONRBEEZ-LJQANCHMSA-N 1 0 392.515 3.272 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)COc2ccccc2)C1 ZINC000012431052 570659573 /nfs/dbraw/zinc/65/95/73/570659573.db2.gz BBWZRTSTDLXZCF-FQEVSTJZSA-N 1 0 396.531 3.487 50 0 GGAARO COc1ccccc1-c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)[nH]n1 ZINC000012434205 570661717 /nfs/dbraw/zinc/66/17/17/570661717.db2.gz JFAPFBGBSXDLMI-HSZRJFAPSA-N 1 0 394.519 3.423 50 0 GGAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2cccc3nonc32)CC1 ZINC000012439831 570664072 /nfs/dbraw/zinc/66/40/72/570664072.db2.gz YRCOREKTBQWWKY-UHFFFAOYSA-N 1 0 390.443 3.447 50 0 GGAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000012448434 570667300 /nfs/dbraw/zinc/66/73/00/570667300.db2.gz XQOAWEMROWEISY-JOCHJYFZSA-N 1 0 392.547 3.074 50 0 GGAARO Cc1cccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)n1 ZINC000012449342 570668267 /nfs/dbraw/zinc/66/82/67/570668267.db2.gz KTNZKWTYXOFPFJ-HXUWFJFHSA-N 1 0 380.536 3.478 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000012457751 570669584 /nfs/dbraw/zinc/66/95/84/570669584.db2.gz HAFISCSAUDICGL-OAQYLSRUSA-N 1 0 380.488 3.391 50 0 GGAARO Cc1ccn(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000012458073 570669808 /nfs/dbraw/zinc/66/98/08/570669808.db2.gz NCKBXWIWMONGTM-QHCPKHFHSA-N 1 0 380.536 3.139 50 0 GGAARO Cn1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cn1 ZINC000012457430 570669874 /nfs/dbraw/zinc/66/98/74/570669874.db2.gz PCPRORHDONASKB-DEOSSOPVSA-N 1 0 394.563 3.300 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000012459049 570670260 /nfs/dbraw/zinc/67/02/60/570670260.db2.gz CHDNHNXQEOJDOD-NRFANRHFSA-N 1 0 399.535 3.148 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012469617 570672351 /nfs/dbraw/zinc/67/23/51/570672351.db2.gz SLSHPUCYZYCOPK-QGZVFWFLSA-N 1 0 386.467 3.242 50 0 GGAARO COc1ccc(OCc2cc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)no2)c2ccccc12 ZINC000012480488 570674286 /nfs/dbraw/zinc/67/42/86/570674286.db2.gz AGEQUMIEORRRFU-HNNXBMFYSA-N 1 0 395.459 3.192 50 0 GGAARO COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337823 570674692 /nfs/dbraw/zinc/67/46/92/570674692.db2.gz MRBRATPGAHVIBM-HXUWFJFHSA-N 1 0 392.455 3.217 50 0 GGAARO C[C@@H](NC(=O)N1C[C@@H]([NH3+])C[C@H]1c1ccccc1)c1nccn1-c1ccccc1 ZINC000685940160 570674823 /nfs/dbraw/zinc/67/48/23/570674823.db2.gz GMARPHXEIQQWPY-KPFFTGBYSA-N 1 0 375.476 3.417 50 0 GGAARO COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000004337828 570674941 /nfs/dbraw/zinc/67/49/41/570674941.db2.gz OGNNVWOMYLOWRO-FQEVSTJZSA-N 1 0 392.455 3.217 50 0 GGAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c(OC)c1 ZINC000012436374 570675473 /nfs/dbraw/zinc/67/54/73/570675473.db2.gz OLRWEOGCJZROKA-SFHVURJKSA-N 1 0 397.519 3.407 50 0 GGAARO Cc1c(C[NH2+]Cc2cnn(-c3ccccc3C)c2)c2ccccc2n1CC(N)=O ZINC000055036455 570679760 /nfs/dbraw/zinc/67/97/60/570679760.db2.gz COGRBKQDDGXZJL-UHFFFAOYSA-N 1 0 387.487 3.219 50 0 GGAARO Cc1c(C[N@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c2ccccc2n1CC(N)=O ZINC000055042097 570680001 /nfs/dbraw/zinc/68/00/01/570680001.db2.gz BLSKELUJZCPIOI-MRXNPFEDSA-N 1 0 395.507 3.321 50 0 GGAARO Cc1cc(C)n(CCC(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000012570402 570680860 /nfs/dbraw/zinc/68/08/60/570680860.db2.gz YJFQWPSXEZCIEL-JOCHJYFZSA-N 1 0 382.552 3.446 50 0 GGAARO O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012575589 570682277 /nfs/dbraw/zinc/68/22/77/570682277.db2.gz JMINPDTZTQKCQS-FQEVSTJZSA-N 1 0 380.488 3.171 50 0 GGAARO O=C(CCC(=O)N1CCC([NH+]2CCCCC2)CC1)NC1CCCCCCC1 ZINC000055108580 570683569 /nfs/dbraw/zinc/68/35/69/570683569.db2.gz STAPJVMJZRBGIB-UHFFFAOYSA-N 1 0 377.573 3.473 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCOCC1 ZINC000012582737 570684452 /nfs/dbraw/zinc/68/44/52/570684452.db2.gz VPOCVQVKLAGDRI-GOSISDBHSA-N 1 0 378.944 3.480 50 0 GGAARO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cc(C)c1O ZINC000012583209 570684583 /nfs/dbraw/zinc/68/45/83/570684583.db2.gz DLFFDJIEQWGJMX-SFHVURJKSA-N 1 0 398.507 3.018 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cnn(C(C)C)c3)C2)cc1 ZINC000012585648 570685046 /nfs/dbraw/zinc/68/50/46/570685046.db2.gz GCXCGQOUPKQUIM-HXUWFJFHSA-N 1 0 398.551 3.499 50 0 GGAARO CCn1cc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1 ZINC000012589550 570686564 /nfs/dbraw/zinc/68/65/64/570686564.db2.gz XNIREGFNPIIARI-UHFFFAOYSA-N 1 0 382.508 3.182 50 0 GGAARO CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055200123 570686736 /nfs/dbraw/zinc/68/67/36/570686736.db2.gz YUFRWOAWULHFFI-QGZVFWFLSA-N 1 0 380.448 3.200 50 0 GGAARO CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055200128 570686826 /nfs/dbraw/zinc/68/68/26/570686826.db2.gz YUFRWOAWULHFFI-KRWDZBQOSA-N 1 0 380.448 3.200 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2scnc2C)CC1 ZINC000012590800 570687128 /nfs/dbraw/zinc/68/71/28/570687128.db2.gz NRUWUJDOXLFHFB-UHFFFAOYSA-N 1 0 387.549 3.487 50 0 GGAARO CC[C@H](C)c1ccccc1OCC(=O)N(C)CC1CC[NH+](CCOC)CC1 ZINC000055211869 570687552 /nfs/dbraw/zinc/68/75/52/570687552.db2.gz CQYXEIRJTMYYMM-SFHVURJKSA-N 1 0 376.541 3.396 50 0 GGAARO CN(C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)C1CC[NH+](C)CC1 ZINC000012591959 570687695 /nfs/dbraw/zinc/68/76/95/570687695.db2.gz TYQIQKJHPSRQNJ-UHFFFAOYSA-N 1 0 397.397 3.439 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1)C1CCCC1 ZINC000055226910 570688408 /nfs/dbraw/zinc/68/84/08/570688408.db2.gz OUERHBWUUWUEEK-UHFFFAOYSA-N 1 0 394.479 3.385 50 0 GGAARO COc1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)cc(OC)c1 ZINC000012594535 570688522 /nfs/dbraw/zinc/68/85/22/570688522.db2.gz VDLGXJKWGLLRGQ-UHFFFAOYSA-N 1 0 384.480 3.086 50 0 GGAARO O=C1C[C@H]([NH2+]Cc2cc(F)ccc2-n2cccn2)CN1Cc1cccc(F)c1 ZINC000012595837 570689255 /nfs/dbraw/zinc/68/92/55/570689255.db2.gz WBAKFLDNGUJGFN-IBGZPJMESA-N 1 0 382.414 3.041 50 0 GGAARO O=C(c1cn(CCc2ccccc2)nn1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012612019 570690635 /nfs/dbraw/zinc/69/06/35/570690635.db2.gz OSHUFPOPCGFGGI-UHFFFAOYSA-N 1 0 381.524 3.001 50 0 GGAARO COc1cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000012631365 570693200 /nfs/dbraw/zinc/69/32/00/570693200.db2.gz ABLLBZZEEMXDSI-UHFFFAOYSA-N 1 0 376.497 3.049 50 0 GGAARO COc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]([NH3+])Cc2cscn2)cc1 ZINC000055392860 570693712 /nfs/dbraw/zinc/69/37/12/570693712.db2.gz OUVRIUOILJVMCW-FQEVSTJZSA-N 1 0 399.491 3.390 50 0 GGAARO C[N@@H+](Cc1ccc(Sc2ncccn2)o1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000055402425 570694459 /nfs/dbraw/zinc/69/44/59/570694459.db2.gz QXJKBFJJDOPQJK-OAHLLOKOSA-N 1 0 386.521 3.444 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055405274 570694906 /nfs/dbraw/zinc/69/49/06/570694906.db2.gz VLTPBIMVLQOLGY-NRFANRHFSA-N 1 0 383.492 3.094 50 0 GGAARO O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012707558 570701047 /nfs/dbraw/zinc/70/10/47/570701047.db2.gz JLDLTUWOFMMEDL-GOSISDBHSA-N 1 0 396.535 3.090 50 0 GGAARO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057154594 570701055 /nfs/dbraw/zinc/70/10/55/570701055.db2.gz BNERKPCTCNKLGL-UHFFFAOYSA-N 1 0 376.460 3.265 50 0 GGAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]CCOc3ccccn3)c2)cc1 ZINC000057356049 570701908 /nfs/dbraw/zinc/70/19/08/570701908.db2.gz LQWIAHOCLBLZKM-UHFFFAOYSA-N 1 0 388.431 3.018 50 0 GGAARO COc1ncc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cn1 ZINC000012710935 570702744 /nfs/dbraw/zinc/70/27/44/570702744.db2.gz UPPUSNIFWOUXSH-HSZRJFAPSA-N 1 0 394.519 3.046 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012715955 570704329 /nfs/dbraw/zinc/70/43/29/570704329.db2.gz XGOGPRYNSUVBKA-QGZVFWFLSA-N 1 0 380.554 3.408 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000012718400 570705200 /nfs/dbraw/zinc/70/52/00/570705200.db2.gz REARWUMSJDFEGL-UHFFFAOYSA-N 1 0 390.549 3.326 50 0 GGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)cc1OC ZINC000012745973 570708015 /nfs/dbraw/zinc/70/80/15/570708015.db2.gz RFMXAKKQWOZMLR-IBGZPJMESA-N 1 0 399.487 3.170 50 0 GGAARO CCc1cc(C(=O)N(CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)n(C)n1 ZINC000012757086 570710097 /nfs/dbraw/zinc/71/00/97/570710097.db2.gz IGVINZZCVUPBGO-UHFFFAOYSA-N 1 0 398.551 3.018 50 0 GGAARO COCCN(C)C(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012761939 570711133 /nfs/dbraw/zinc/71/11/33/570711133.db2.gz FDIWMNCMZUYUQV-UHFFFAOYSA-N 1 0 390.524 3.199 50 0 GGAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccccc2)CC1 ZINC000004371746 570718007 /nfs/dbraw/zinc/71/80/07/570718007.db2.gz NYQRVKOGHAQAKK-UHFFFAOYSA-N 1 0 399.438 3.258 50 0 GGAARO COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000252497615 570728719 /nfs/dbraw/zinc/72/87/19/570728719.db2.gz QKURGTLPSVYOPN-IBGZPJMESA-N 1 0 380.448 3.031 50 0 GGAARO COc1ccc(C(=O)NCCC[N@H+](C)CCCN(C)Cc2ccccc2)cc1 ZINC000059181906 570736864 /nfs/dbraw/zinc/73/68/64/570736864.db2.gz PWWWODXDZIFLEF-UHFFFAOYSA-N 1 0 383.536 3.269 50 0 GGAARO Cc1nc(NCc2noc(Cc3ccccc3)n2)cc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000063846187 570750928 /nfs/dbraw/zinc/75/09/28/570750928.db2.gz PRECMOMPNRLTKW-QGZVFWFLSA-N 1 0 378.480 3.180 50 0 GGAARO Cc1nc(NCc2noc(Cc3ccccc3)n2)cc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000063846189 570751391 /nfs/dbraw/zinc/75/13/91/570751391.db2.gz PRECMOMPNRLTKW-KRWDZBQOSA-N 1 0 378.480 3.180 50 0 GGAARO CCn1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063856704 570751690 /nfs/dbraw/zinc/75/16/90/570751690.db2.gz SZIYFPKAZLHISU-OAHLLOKOSA-N 1 0 395.482 3.424 50 0 GGAARO CCn1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063881997 570752771 /nfs/dbraw/zinc/75/27/71/570752771.db2.gz KSXZISSXQMHQJL-HNNXBMFYSA-N 1 0 395.482 3.424 50 0 GGAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000063883406 570752803 /nfs/dbraw/zinc/75/28/03/570752803.db2.gz QLZLROLLFSTPNB-UHFFFAOYSA-N 1 0 381.451 3.180 50 0 GGAARO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)C1CC[NH+](C)CC1 ZINC000036616518 570752843 /nfs/dbraw/zinc/75/28/43/570752843.db2.gz ZOWJPHFDJQIEPI-UHFFFAOYSA-N 1 0 377.492 3.284 50 0 GGAARO COc1ccc(-c2cc(C(F)F)nc(N3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1OC ZINC000036614001 570758007 /nfs/dbraw/zinc/75/80/07/570758007.db2.gz WCCCZKDASGKOQP-CQSZACIVSA-N 1 0 390.434 3.383 50 0 GGAARO CCNc1nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(C)[nH+]1 ZINC000065362259 570759681 /nfs/dbraw/zinc/75/96/81/570759681.db2.gz QHVYSQRADWSWQI-UHFFFAOYSA-N 1 0 393.413 3.198 50 0 GGAARO CSc1cccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)c1 ZINC000065362113 570759786 /nfs/dbraw/zinc/75/97/86/570759786.db2.gz BMRWKWIDDMPRHV-UHFFFAOYSA-N 1 0 386.525 3.341 50 0 GGAARO CCNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(C)[nH+]1 ZINC000065362735 570760135 /nfs/dbraw/zinc/76/01/35/570760135.db2.gz AOCPZDGKXDXELD-UHFFFAOYSA-N 1 0 394.306 3.486 50 0 GGAARO CCNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000065362717 570760279 /nfs/dbraw/zinc/76/02/79/570760279.db2.gz XFISGNPWUZXAKB-UHFFFAOYSA-N 1 0 381.524 3.477 50 0 GGAARO COc1cccc(CC2(CO)CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000013596492 570761312 /nfs/dbraw/zinc/76/13/12/570761312.db2.gz DWTHSDWOMJZRQQ-UHFFFAOYSA-N 1 0 382.504 3.471 50 0 GGAARO Cn1cc(NC(=O)c2ccc(C[N@H+](C)Cc3ccc4c(c3)OCO4)cc2)cn1 ZINC000065369929 570761702 /nfs/dbraw/zinc/76/17/02/570761702.db2.gz CHATXLIOIKZLHI-UHFFFAOYSA-N 1 0 378.432 3.033 50 0 GGAARO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065374310 570762448 /nfs/dbraw/zinc/76/24/48/570762448.db2.gz PSZUVGZRLULQOV-CYBMUJFWSA-N 1 0 381.879 3.141 50 0 GGAARO CCn1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)cc2)nn1 ZINC000065375188 570762574 /nfs/dbraw/zinc/76/25/74/570762574.db2.gz KLUPIADIUXRKBE-LJQANCHMSA-N 1 0 376.464 3.282 50 0 GGAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3nnc(-c4ccc(C)n4C)o3)C2)c1 ZINC000065381257 570763092 /nfs/dbraw/zinc/76/30/92/570763092.db2.gz XCLFMRSTUBWOKQ-OAHLLOKOSA-N 1 0 382.464 3.390 50 0 GGAARO CCc1cc(C(=O)N2CCN(C)CC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621587 570764816 /nfs/dbraw/zinc/76/48/16/570764816.db2.gz HOIIKOXUFRVVDU-UHFFFAOYSA-N 1 0 389.503 3.248 50 0 GGAARO CC(=O)Nc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@](C)(O)C3)cc2)c1 ZINC000065398691 570766179 /nfs/dbraw/zinc/76/61/79/570766179.db2.gz SRWXVNUFNCCJHS-QFIPXVFZSA-N 1 0 381.476 3.244 50 0 GGAARO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000065404399 570766324 /nfs/dbraw/zinc/76/63/24/570766324.db2.gz KXGJWCFLQXTZNK-AWEZNQCLSA-N 1 0 378.469 3.217 50 0 GGAARO CCn1cc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCCC[C@H]2CO)cn1 ZINC000065404182 570766685 /nfs/dbraw/zinc/76/66/85/570766685.db2.gz LBRMENPTRBKTSY-FQEVSTJZSA-N 1 0 379.508 3.280 50 0 GGAARO CCc1nccc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCCC[C@H]2CO)n1 ZINC000065407357 570767009 /nfs/dbraw/zinc/76/70/09/570767009.db2.gz JFSKIVWBAREPGJ-IBGZPJMESA-N 1 0 391.519 3.416 50 0 GGAARO COc1ccc(-c2cc([C@H]3CC[N@H+](Cc4cnc(N)nc4)C3)ccn2)cc1C ZINC000065410925 570767585 /nfs/dbraw/zinc/76/75/85/570767585.db2.gz CJBSQFONQZLILU-IBGZPJMESA-N 1 0 375.476 3.427 50 0 GGAARO CCc1ccc2oc(=O)cc(C[NH+]3CCC([C@H](O)c4nccn4C)CC3)c2c1 ZINC000065507394 570771332 /nfs/dbraw/zinc/77/13/32/570771332.db2.gz CQEGFZKNONUHKN-NRFANRHFSA-N 1 0 381.476 3.035 50 0 GGAARO CCn1ccnc1-c1c(-c2ccccc2)ncn1CC[N@@H+]1CCCC[C@H]1CO ZINC000065525607 570771859 /nfs/dbraw/zinc/77/18/59/570771859.db2.gz CZLFKBFQLWMPGQ-IBGZPJMESA-N 1 0 379.508 3.280 50 0 GGAARO COc1ccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022031421 570778202 /nfs/dbraw/zinc/77/82/02/570778202.db2.gz VWIWSZAQESTXKI-UWJYYQICSA-N 1 0 398.576 3.359 50 0 GGAARO O[C@@H](C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1 ZINC000013717676 570779701 /nfs/dbraw/zinc/77/97/01/570779701.db2.gz YAZOFTNTURRQNE-NRFANRHFSA-N 1 0 387.443 3.278 50 0 GGAARO Cc1ccc2cc(C3(O)CC[NH+](Cc4ccccc4OCCO)CC3)ccc2n1 ZINC000067458130 570779891 /nfs/dbraw/zinc/77/98/91/570779891.db2.gz BMXMURGOGQOIOZ-UHFFFAOYSA-N 1 0 392.499 3.398 50 0 GGAARO CCC(CC)N1C(=O)N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O ZINC000067473283 570780531 /nfs/dbraw/zinc/78/05/31/570780531.db2.gz JLKFJMQBUBGVEE-FQEVSTJZSA-N 1 0 377.916 3.361 50 0 GGAARO NC(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3ccc4cccnc4c3)c2)CC1 ZINC000067514774 570781021 /nfs/dbraw/zinc/78/10/21/570781021.db2.gz HKXAMNAWWIQULV-UHFFFAOYSA-N 1 0 388.471 3.184 50 0 GGAARO C[NH+](C)CCNc1nc2sc3c(c2c2nc(-c4ccccc4)nn21)CCC3 ZINC000013728700 570782126 /nfs/dbraw/zinc/78/21/26/570782126.db2.gz JKYGOYYXFKOXIU-UHFFFAOYSA-N 1 0 378.505 3.468 50 0 GGAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)c1 ZINC000067563314 570782224 /nfs/dbraw/zinc/78/22/24/570782224.db2.gz DWWANSFDDZROIO-KRWDZBQOSA-N 1 0 376.501 3.195 50 0 GGAARO CCc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000067601791 570782522 /nfs/dbraw/zinc/78/25/22/570782522.db2.gz WPCKFKCITGZRFS-UHFFFAOYSA-N 1 0 393.535 3.300 50 0 GGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2cccc3ccccc32)[nH+]1 ZINC000067603665 570782646 /nfs/dbraw/zinc/78/26/46/570782646.db2.gz WWRIHKWFCMVIQQ-UHFFFAOYSA-N 1 0 375.476 3.380 50 0 GGAARO C[N@@H+]1CCC[C@@H](C(=O)NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)C1 ZINC000067605493 570783184 /nfs/dbraw/zinc/78/31/84/570783184.db2.gz FKXUOAWLONQEIE-MRXNPFEDSA-N 1 0 393.466 3.236 50 0 GGAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000067612337 570783885 /nfs/dbraw/zinc/78/38/85/570783885.db2.gz JIVCAYCRKNBNIT-UHFFFAOYSA-N 1 0 382.460 3.460 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(-n4ccnc4)cc3)cnn2c1 ZINC000067642019 570784252 /nfs/dbraw/zinc/78/42/52/570784252.db2.gz YFJQFSMKYVYGCN-UHFFFAOYSA-N 1 0 389.463 3.009 50 0 GGAARO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc3cc(OC)ccc3[nH]c2=O)s1 ZINC000067676854 570785671 /nfs/dbraw/zinc/78/56/71/570785671.db2.gz WMFXOQQADVYUKV-KRWDZBQOSA-N 1 0 397.500 3.295 50 0 GGAARO [NH3+]C1(C(=O)N2CCOc3c(O)cc(-c4csc5ccccc54)cc3C2)CC1 ZINC000067677761 570785862 /nfs/dbraw/zinc/78/58/62/570785862.db2.gz CXAYKESTOSXKKD-UHFFFAOYSA-N 1 0 380.469 3.486 50 0 GGAARO O=C(c1ccc(NC2CCCCCC2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067675451 570785879 /nfs/dbraw/zinc/78/58/79/570785879.db2.gz CVLSJOAKHMNYKA-UHFFFAOYSA-N 1 0 386.540 3.153 50 0 GGAARO c1nnnn1CCC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067676724 570785992 /nfs/dbraw/zinc/78/59/92/570785992.db2.gz AKCWSPJIKAOWEB-UHFFFAOYSA-N 1 0 385.475 3.179 50 0 GGAARO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2cn(C)nn2)c1 ZINC000067691929 570786704 /nfs/dbraw/zinc/78/67/04/570786704.db2.gz CCONRQBETPGOBW-KRWDZBQOSA-N 1 0 380.452 3.009 50 0 GGAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)n1 ZINC000067697170 570787280 /nfs/dbraw/zinc/78/72/80/570787280.db2.gz HABSFCCDTNTONY-QHCPKHFHSA-N 1 0 381.520 3.157 50 0 GGAARO Cc1ccccc1N1CCN(c2ncccc2C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000067714228 570787972 /nfs/dbraw/zinc/78/79/72/570787972.db2.gz MMDJEDYNDWNLKY-FQEVSTJZSA-N 1 0 390.535 3.091 50 0 GGAARO Cc1c(C[NH2+]Cc2c[nH]nc2-c2cccs2)c2ccccc2n1CC(N)=O ZINC000067743279 570789637 /nfs/dbraw/zinc/78/96/37/570789637.db2.gz VOEAINMKNYNCCO-UHFFFAOYSA-N 1 0 379.489 3.176 50 0 GGAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000067742767 570789769 /nfs/dbraw/zinc/78/97/69/570789769.db2.gz HYPLWIGQTHRAHY-HXUWFJFHSA-N 1 0 382.508 3.270 50 0 GGAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 ZINC000067787728 570791262 /nfs/dbraw/zinc/79/12/62/570791262.db2.gz GHAQKDWUVXPWEJ-QFIPXVFZSA-N 1 0 377.492 3.159 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCC(C(C)C)CC3)C2=O)c1 ZINC000067804443 570791926 /nfs/dbraw/zinc/79/19/26/570791926.db2.gz YXOUGCOZFSELDC-QFIPXVFZSA-N 1 0 392.515 3.056 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)Cc3ccccn3)C2=O)cc1 ZINC000067817647 570792314 /nfs/dbraw/zinc/79/23/14/570792314.db2.gz AXEWCNXUBKAWMP-QHCPKHFHSA-N 1 0 381.520 3.191 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1cccc(F)c1F ZINC000067817061 570792409 /nfs/dbraw/zinc/79/24/09/570792409.db2.gz PGQYBSIDRAQLLS-JOCHJYFZSA-N 1 0 388.458 3.041 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](C[C@H]2CCCO2)CC1)Nc1cccc(F)c1 ZINC000067833884 570792884 /nfs/dbraw/zinc/79/28/84/570792884.db2.gz DBKJDVFWCRQUNZ-GOSISDBHSA-N 1 0 387.459 3.482 50 0 GGAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000067821323 570792935 /nfs/dbraw/zinc/79/29/35/570792935.db2.gz NJKHQNHSURJVLX-QFIPXVFZSA-N 1 0 392.547 3.074 50 0 GGAARO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000067847091 570794142 /nfs/dbraw/zinc/79/41/42/570794142.db2.gz YJEDTULWSOWMMY-CQSZACIVSA-N 1 0 375.419 3.235 50 0 GGAARO CC(C)CC[C@H](C)Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067847247 570794199 /nfs/dbraw/zinc/79/41/99/570794199.db2.gz PSCKNSCGOAEKDW-SFHVURJKSA-N 1 0 388.556 3.255 50 0 GGAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000067847214 570794228 /nfs/dbraw/zinc/79/42/28/570794228.db2.gz AMALDKACZMVJJA-JOCHJYFZSA-N 1 0 394.475 3.216 50 0 GGAARO COc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000067909223 570796728 /nfs/dbraw/zinc/79/67/28/570796728.db2.gz IXUHIHWQADKBGX-XMMPIXPASA-N 1 0 396.531 3.462 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000067910272 570796921 /nfs/dbraw/zinc/79/69/21/570796921.db2.gz GYSHYLZWLRSIQW-DEOSSOPVSA-N 1 0 391.515 3.244 50 0 GGAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](CCCn1nnnc1C)C2 ZINC000067934117 570797389 /nfs/dbraw/zinc/79/73/89/570797389.db2.gz VIFGIQKZLWYDJX-UHFFFAOYSA-N 1 0 399.520 3.312 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3nc4ccccc4s3)cnn2c1 ZINC000067935454 570797807 /nfs/dbraw/zinc/79/78/07/570797807.db2.gz JKABZCGXZGIDDT-UHFFFAOYSA-N 1 0 394.504 3.111 50 0 GGAARO CSc1ccccc1OCc1cc(C(=O)N(C)C[C@@]2(C)CC[N@H+](C)C2)no1 ZINC000067947306 570797889 /nfs/dbraw/zinc/79/78/89/570797889.db2.gz ZJMOHAGGZVHZPI-FQEVSTJZSA-N 1 0 389.521 3.389 50 0 GGAARO [NH3+]C1(C(=O)N2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)CCC1 ZINC000067947548 570797951 /nfs/dbraw/zinc/79/79/51/570797951.db2.gz LLWYZXXUGDNWLN-UHFFFAOYSA-N 1 0 386.499 3.356 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cnn2c1 ZINC000067967562 570798992 /nfs/dbraw/zinc/79/89/92/570798992.db2.gz CAPUAGSJRHFDNS-FQEVSTJZSA-N 1 0 392.507 3.334 50 0 GGAARO COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000005677428 570800088 /nfs/dbraw/zinc/80/00/88/570800088.db2.gz RDFFFRISCHHVNZ-INIZCTEOSA-N 1 0 390.524 3.183 50 0 GGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cnn(C(C)C)c1 ZINC000583647645 570804120 /nfs/dbraw/zinc/80/41/20/570804120.db2.gz XCMIKKRHZHVNSQ-QUCCMNQESA-N 1 0 376.545 3.207 50 0 biogenic GGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cnn(C(C)C)c1 ZINC000583647646 570804150 /nfs/dbraw/zinc/80/41/50/570804150.db2.gz XCMIKKRHZHVNSQ-UYAOXDASSA-N 1 0 376.545 3.207 50 0 biogenic GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000071388843 570832998 /nfs/dbraw/zinc/83/29/98/570832998.db2.gz MMBBCNCWCJAIKI-AWEZNQCLSA-N 1 0 396.457 3.060 50 0 GGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071498194 570838609 /nfs/dbraw/zinc/83/86/09/570838609.db2.gz SKRNBXBCRGGRHF-NRFANRHFSA-N 1 0 386.515 3.435 50 0 GGAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CCN4CCCC4=O)C3)ccc2c1 ZINC000071498097 570838773 /nfs/dbraw/zinc/83/87/73/570838773.db2.gz YSDYSTMJSBLBFN-HXUWFJFHSA-N 1 0 380.488 3.366 50 0 GGAARO CC(C)[C@H]1CN(CC(=O)N2CCCCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071551842 570840471 /nfs/dbraw/zinc/84/04/71/570840471.db2.gz YCGQAEJPSYCTSN-OAQYLSRUSA-N 1 0 375.532 3.371 50 0 GGAARO Cc1cnn(CCC[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071639386 570842012 /nfs/dbraw/zinc/84/20/12/570842012.db2.gz SMJPBSHQZWCEGW-NRFANRHFSA-N 1 0 386.515 3.480 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000043953917 570844097 /nfs/dbraw/zinc/84/40/97/570844097.db2.gz HUBYPJZAPXKZDY-UHFFFAOYSA-N 1 0 398.525 3.086 50 0 GGAARO CCC1(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000071721643 570844108 /nfs/dbraw/zinc/84/41/08/570844108.db2.gz FFGCAVAKGSDHJG-OAQYLSRUSA-N 1 0 383.580 3.464 50 0 GGAARO OCCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000071738496 570844393 /nfs/dbraw/zinc/84/43/93/570844393.db2.gz JUPKOVHJNNQXFH-WXFUMESZSA-N 1 0 378.516 3.120 50 0 GGAARO Cc1nnsc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071735554 570844677 /nfs/dbraw/zinc/84/46/77/570844677.db2.gz MSODPBULEBAMGA-KRWDZBQOSA-N 1 0 376.501 3.245 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3sc(C)nc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071736311 570844721 /nfs/dbraw/zinc/84/47/21/570844721.db2.gz OTDQXUVNRQTFQT-XUVXKRRUSA-N 1 0 397.544 3.471 50 0 GGAARO Cn1c2ccccc2nc1-c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)o1 ZINC000071738706 570844742 /nfs/dbraw/zinc/84/47/42/570844742.db2.gz XDUZKSSWLSUOKG-UHFFFAOYSA-N 1 0 378.476 3.420 50 0 GGAARO CC[N@H+](Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21)C1CC1 ZINC000071748494 570845647 /nfs/dbraw/zinc/84/56/47/570845647.db2.gz ZXPLIODQCSBPMR-OKILXGFUSA-N 1 0 390.915 3.221 50 0 GGAARO Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071753161 570847291 /nfs/dbraw/zinc/84/72/91/570847291.db2.gz VUKKZPCZXHQQNR-LJQANCHMSA-N 1 0 383.540 3.237 50 0 GGAARO CNC(=O)c1cccnc1N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071754048 570847791 /nfs/dbraw/zinc/84/77/91/570847791.db2.gz OYZMIPOZMVEPTM-FQEVSTJZSA-N 1 0 384.499 3.317 50 0 GGAARO CC(C)CC1(NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071754364 570847958 /nfs/dbraw/zinc/84/79/58/570847958.db2.gz YQKSUZHWIUZSTB-NRFANRHFSA-N 1 0 398.595 3.453 50 0 GGAARO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071753965 570848030 /nfs/dbraw/zinc/84/80/30/570848030.db2.gz OPDWOBDYGKECOS-HXUWFJFHSA-N 1 0 382.508 3.365 50 0 GGAARO COc1cccc(-c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cn2)c1OC ZINC000071754156 570848129 /nfs/dbraw/zinc/84/81/29/570848129.db2.gz KYAJUTRNVCOCSY-KRWDZBQOSA-N 1 0 397.519 3.474 50 0 GGAARO O=C(NC1CC=CC1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071753628 570848140 /nfs/dbraw/zinc/84/81/40/570848140.db2.gz FUNCIGVBSACCKT-OAQYLSRUSA-N 1 0 381.564 3.240 50 0 GGAARO CNC(=O)c1cccnc1N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071754049 570848178 /nfs/dbraw/zinc/84/81/78/570848178.db2.gz OYZMIPOZMVEPTM-HXUWFJFHSA-N 1 0 384.499 3.317 50 0 GGAARO CC(C)(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071757184 570848337 /nfs/dbraw/zinc/84/83/37/570848337.db2.gz WBVNEHLYWATWTO-HXUWFJFHSA-N 1 0 386.584 3.310 50 0 GGAARO O=C(c1cnccn1)N1CCC([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)CC1 ZINC000071760160 570849486 /nfs/dbraw/zinc/84/94/86/570849486.db2.gz JPIFZIHXFVGLIF-FQEVSTJZSA-N 1 0 378.520 3.426 50 0 GGAARO O=C(NCc1ccoc1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071761453 570849755 /nfs/dbraw/zinc/84/97/55/570849755.db2.gz PWUYAMKZLDIFCD-QFIPXVFZSA-N 1 0 395.547 3.315 50 0 GGAARO C[C@H](CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)[NH+]1CCN(C)CC1 ZINC000071762650 570850238 /nfs/dbraw/zinc/85/02/38/570850238.db2.gz OKSVAGJHHDOMJH-QGZVFWFLSA-N 1 0 382.552 3.079 50 0 GGAARO CC[C@@]1(O)CCC[N@H+](Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 ZINC000071764567 570851047 /nfs/dbraw/zinc/85/10/47/570851047.db2.gz GBGSVJUJWATMDR-JOCHJYFZSA-N 1 0 384.524 3.006 50 0 GGAARO CN(CC(C)(C)C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071763451 570851099 /nfs/dbraw/zinc/85/10/99/570851099.db2.gz DAQAPYANHINMQW-FQEVSTJZSA-N 1 0 386.584 3.263 50 0 GGAARO O=C(NCc1ccsc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071764618 570851470 /nfs/dbraw/zinc/85/14/70/570851470.db2.gz FWPBBWBKWMSJKU-HXUWFJFHSA-N 1 0 398.576 3.136 50 0 GGAARO CNc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071774831 570852547 /nfs/dbraw/zinc/85/25/47/570852547.db2.gz VHFTXBTXMKONDI-IBGZPJMESA-N 1 0 385.487 3.030 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc4occc4c3)CC2)C1 ZINC000071775758 570853153 /nfs/dbraw/zinc/85/31/53/570853153.db2.gz JNYJSAJBGFRVFN-IBGZPJMESA-N 1 0 381.520 3.388 50 0 GGAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cccs2)c1 ZINC000004711737 570857925 /nfs/dbraw/zinc/85/79/25/570857925.db2.gz BUOYJHPFYKGSCV-UHFFFAOYSA-N 1 0 387.505 3.319 50 0 GGAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)COc4ccccc4)cc3s2)CC1 ZINC000007513022 570861669 /nfs/dbraw/zinc/86/16/69/570861669.db2.gz NNWAIMPFNJQRRO-UHFFFAOYSA-N 1 0 397.500 3.423 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3cccc(F)c3C)[nH+]c(C)n2)c1C ZINC000072115717 570866183 /nfs/dbraw/zinc/86/61/83/570866183.db2.gz XBVLQYWLYMIGFL-UHFFFAOYSA-N 1 0 397.458 3.269 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3cccc(C)c3)[nH+]c(C)n2)c1C ZINC000072117837 570866483 /nfs/dbraw/zinc/86/64/83/570866483.db2.gz SKJUVIRYEZRNGZ-UHFFFAOYSA-N 1 0 379.468 3.130 50 0 GGAARO CN(C(=O)COc1ccccc1O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072121104 570867193 /nfs/dbraw/zinc/86/71/93/570867193.db2.gz IOQZQOSUMJDASL-HXUWFJFHSA-N 1 0 382.504 3.327 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)N[C@@H]2CCSC2)Cc2ccccc2C1 ZINC000072126415 570867605 /nfs/dbraw/zinc/86/76/05/570867605.db2.gz NCXJUGKQQIELKH-OAQYLSRUSA-N 1 0 380.557 3.320 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3cnccc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072127284 570867629 /nfs/dbraw/zinc/86/76/29/570867629.db2.gz MPQDXWYUKSMTRW-YPAWHYETSA-N 1 0 377.488 3.101 50 0 GGAARO CCCOc1cc(Cl)c(CN2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)cc1OC ZINC000072125618 570867657 /nfs/dbraw/zinc/86/76/57/570867657.db2.gz IAAVSFIFPJILFZ-WOJBJXKFSA-N 1 0 382.932 3.074 50 0 GGAARO COc1ccc([C@@H]2C[N@H+](Cc3cncn3C3CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072128974 570868023 /nfs/dbraw/zinc/86/80/23/570868023.db2.gz RIYFGVRPVCDZJE-YTFSRNRJSA-N 1 0 378.520 3.289 50 0 GGAARO COc1cccc([C@@H]2CN(C(=O)c3csc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072133340 570868608 /nfs/dbraw/zinc/86/86/08/570868608.db2.gz UIBIOCJHMRWMNF-DFQSSKMNSA-N 1 0 383.517 3.163 50 0 GGAARO Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)cc(N2CCCC2)[nH+]1 ZINC000072140009 570869927 /nfs/dbraw/zinc/86/99/27/570869927.db2.gz CFIJMQFODIOXPE-UHFFFAOYSA-N 1 0 398.486 3.187 50 0 GGAARO O=C(c1cnc2ccccn12)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072140122 570870055 /nfs/dbraw/zinc/87/00/55/570870055.db2.gz VMGJANBFZXELOV-VLCRHTCISA-N 1 0 390.462 3.176 50 0 GGAARO O[C@H]1[C@H](n2cc(-c3ccc(Cl)cc3)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072144540 570870906 /nfs/dbraw/zinc/87/09/06/570870906.db2.gz JXLFPXWTRLJNNZ-UXHICEINSA-N 1 0 380.879 3.184 50 0 GGAARO Cc1nc2ccccc2nc1CN1CCn2nc(C[N@@H+](C)CC(C)C)cc2C1 ZINC000072144953 570870965 /nfs/dbraw/zinc/87/09/65/570870965.db2.gz DKVKWNUNCKTALR-UHFFFAOYSA-N 1 0 378.524 3.238 50 0 GGAARO O=C(C[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1)N1CCOCC1 ZINC000072144460 570871012 /nfs/dbraw/zinc/87/10/12/570871012.db2.gz YFNRCUDSMCGJIP-INIZCTEOSA-N 1 0 384.442 3.209 50 0 GGAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072146628 570871990 /nfs/dbraw/zinc/87/19/90/570871990.db2.gz ZKLUYMFHZULSMI-VHTFYLNKSA-N 1 0 375.516 3.235 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCc2nccs2)Cc2ccccc2C1 ZINC000072147021 570872322 /nfs/dbraw/zinc/87/23/22/570872322.db2.gz LKXJUIQYAWDBFG-UHFFFAOYSA-N 1 0 391.540 3.471 50 0 GGAARO COc1ccccc1[C@@H]1CN(C(=O)c2sc(C)nc2C)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072149701 570873205 /nfs/dbraw/zinc/87/32/05/570873205.db2.gz CBZPORNTPHPRKG-DFQSSKMNSA-N 1 0 397.544 3.471 50 0 GGAARO O=C(c1ccccc1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072154417 570874465 /nfs/dbraw/zinc/87/44/65/570874465.db2.gz OHUBTLWUVMRGBX-STZQEDGTSA-N 1 0 376.456 3.118 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cnn(CC)c1 ZINC000015061812 570874498 /nfs/dbraw/zinc/87/44/98/570874498.db2.gz VASYSDRUJHBYSF-IBGZPJMESA-N 1 0 386.515 3.459 50 0 GGAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000015061961 570874661 /nfs/dbraw/zinc/87/46/61/570874661.db2.gz UESPARQIDSFYDN-OAQYLSRUSA-N 1 0 396.535 3.364 50 0 GGAARO Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cc1O ZINC000072163767 570875790 /nfs/dbraw/zinc/87/57/90/570875790.db2.gz OCJFPDHEASKTFW-NRFANRHFSA-N 1 0 379.504 3.470 50 0 GGAARO Cn1ncc2c1nc(-c1cccnc1)nc2NCC1([NH+]2CCCC2)CCCC1 ZINC000072163203 570875809 /nfs/dbraw/zinc/87/58/09/570875809.db2.gz MRLCDAAQYVILRZ-UHFFFAOYSA-N 1 0 377.496 3.246 50 0 GGAARO O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072164513 570876428 /nfs/dbraw/zinc/87/64/28/570876428.db2.gz ZPGQFTHTAIQBRF-UHFFFAOYSA-N 1 0 380.488 3.121 50 0 GGAARO Cc1ccccc1[C@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)[NH+](C)C ZINC000072165896 570876452 /nfs/dbraw/zinc/87/64/52/570876452.db2.gz DMDUOSOJBOCNGM-IBGZPJMESA-N 1 0 387.491 3.449 50 0 GGAARO Cc1ccc(CN2CCN(Cc3ccc(C[NH+]4CCCC4)s3)CC2=O)cc1 ZINC000072165302 570876512 /nfs/dbraw/zinc/87/65/12/570876512.db2.gz LDJFUBWFTGSLHT-UHFFFAOYSA-N 1 0 383.561 3.497 50 0 GGAARO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)[nH]n1 ZINC000072168944 570876930 /nfs/dbraw/zinc/87/69/30/570876930.db2.gz GANYIESKXSGPRA-MRXNPFEDSA-N 1 0 388.462 3.371 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3csc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072173710 570877415 /nfs/dbraw/zinc/87/74/15/570877415.db2.gz UIBIOCJHMRWMNF-MISYRCLQSA-N 1 0 383.517 3.163 50 0 GGAARO COc1ccccc1[C@H]1CN(C(=O)c2cncc(C)c2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072173691 570877547 /nfs/dbraw/zinc/87/75/47/570877547.db2.gz LIXHIEGXDAICQA-CEMLEFRQSA-N 1 0 377.488 3.101 50 0 GGAARO Cc1cc(C(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c2ccc(F)cc2n1 ZINC000072173725 570877555 /nfs/dbraw/zinc/87/75/55/570877555.db2.gz UNXBHIPNMMHKCI-GOSISDBHSA-N 1 0 386.515 3.170 50 0 GGAARO Cc1cc(C(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)c2ccc(F)cc2n1 ZINC000072173724 570877577 /nfs/dbraw/zinc/87/75/77/570877577.db2.gz UNXBHIPNMMHKCI-SFHVURJKSA-N 1 0 386.515 3.170 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH+]3CCCCCC3)cc21 ZINC000003655842 570881750 /nfs/dbraw/zinc/88/17/50/570881750.db2.gz IIKRUGSPCFKOHE-KRWDZBQOSA-N 1 0 388.508 3.279 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](CCCSC)C3)C2=O)c1 ZINC000012587189 570882194 /nfs/dbraw/zinc/88/21/94/570882194.db2.gz DSROLEYHKCMUMO-FQEVSTJZSA-N 1 0 380.529 3.402 50 0 GGAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000004574433 570898821 /nfs/dbraw/zinc/89/88/21/570898821.db2.gz QRFSVZMREFMYKU-UHFFFAOYSA-N 1 0 399.322 3.331 50 0 GGAARO CCn1cc(-c2ccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)cc2)cn1 ZINC000534576186 570901354 /nfs/dbraw/zinc/90/13/54/570901354.db2.gz OQOKQHGDZVPFEI-UHFFFAOYSA-N 1 0 389.503 3.359 50 0 GGAARO CCc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](NC(=O)c4ccncc4)C[C@H]23)o1 ZINC000534577677 570901653 /nfs/dbraw/zinc/90/16/53/570901653.db2.gz VYKFIBNKMIPGNY-PIPMEXSNSA-N 1 0 383.492 3.179 50 0 GGAARO C[C@H](NC(=O)N1CCN(c2cccc3ccccc32)CC1)C1CC[NH+](C)CC1 ZINC000534585481 570904507 /nfs/dbraw/zinc/90/45/07/570904507.db2.gz WOKAVWZVKRNARD-SFHVURJKSA-N 1 0 380.536 3.402 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)NCc1ccc(OC)cc1 ZINC000263585335 570908257 /nfs/dbraw/zinc/90/82/57/570908257.db2.gz HNOPJBWOHKYBIM-PZJWPPBQSA-N 1 0 389.540 3.118 50 0 biogenic GGAARO COc1ccc(CN(C(=O)N[C@H]2CCC[N@H+](C)C2)C2CCCC2)c(OC)c1 ZINC000534646643 570909671 /nfs/dbraw/zinc/90/96/71/570909671.db2.gz JTIHVDLHAUCXCU-KRWDZBQOSA-N 1 0 375.513 3.252 50 0 GGAARO CN(CC[NH+]1CCCCCC1)C(=O)NCCCc1nc2cc(F)ccc2[nH]1 ZINC000534631754 570910471 /nfs/dbraw/zinc/91/04/71/570910471.db2.gz OOJODPDSJQTDRE-UHFFFAOYSA-N 1 0 375.492 3.152 50 0 GGAARO O=C(NCC1(C[NH+]2CCCC2)CC1)N1CCC[C@H](C(=O)c2cccs2)C1 ZINC000534638458 570912215 /nfs/dbraw/zinc/91/22/15/570912215.db2.gz QHBZOVSMRGXNHQ-INIZCTEOSA-N 1 0 375.538 3.228 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000023127643 570912975 /nfs/dbraw/zinc/91/29/75/570912975.db2.gz BHPAEDJWVJLQAU-UHFFFAOYSA-N 1 0 392.496 3.025 50 0 GGAARO O=c1c2sc3cccc(F)c3c2nc2n1C[C@@H]([NH2+]Cc1ccccc1)OC2 ZINC000016843852 570913384 /nfs/dbraw/zinc/91/33/84/570913384.db2.gz CIDADMUENXPVSB-INIZCTEOSA-N 1 0 381.432 3.396 50 0 GGAARO O=c1c2sc3cccc(F)c3c2nc2n1C[C@H]([NH2+]Cc1ccccc1)OC2 ZINC000016843855 570913568 /nfs/dbraw/zinc/91/35/68/570913568.db2.gz CIDADMUENXPVSB-MRXNPFEDSA-N 1 0 381.432 3.396 50 0 GGAARO Cc1nnc(CN(C)C(=O)NC[C@@H](c2ccccc2C)[NH+]2CCC(C)CC2)o1 ZINC000534651823 570914262 /nfs/dbraw/zinc/91/42/62/570914262.db2.gz JGOPMGOPOUHAFA-IBGZPJMESA-N 1 0 385.512 3.301 50 0 GGAARO Cc1ccc([C@@H](NC(=O)N2CCC(O)(C[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000534656071 570915682 /nfs/dbraw/zinc/91/56/82/570915682.db2.gz GHDIVAARTZKUQN-NRFANRHFSA-N 1 0 381.520 3.183 50 0 GGAARO CNc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2)cn1 ZINC000534657509 570916443 /nfs/dbraw/zinc/91/64/43/570916443.db2.gz JVJJMOZPRPEZDP-UHFFFAOYSA-N 1 0 386.499 3.000 50 0 GGAARO CCCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(OC)cc3F)[C@H]2C1 ZINC000534666102 570919395 /nfs/dbraw/zinc/91/93/95/570919395.db2.gz ALMVRNNISRGULD-LKUPVBHCSA-N 1 0 378.488 3.263 50 0 GGAARO CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2cccnc2)Cc2ccccc2OC)C1 ZINC000534667741 570919864 /nfs/dbraw/zinc/91/98/64/570919864.db2.gz NWWFBBMPRQDUBO-FQEVSTJZSA-N 1 0 382.508 3.286 50 0 GGAARO CN(C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1)C1Cc2ccccc2C1 ZINC000534668506 570919908 /nfs/dbraw/zinc/91/99/08/570919908.db2.gz RGIUXMSJHGDBTA-UHFFFAOYSA-N 1 0 379.504 3.165 50 0 GGAARO CO[C@]12CC[N@H+](CC3=Cc4cc(Cl)ccc4OC3)[C@H]1C[C@H](NC(C)=O)CC2 ZINC000534670776 570920245 /nfs/dbraw/zinc/92/02/45/570920245.db2.gz RHAZAZKITYCVJK-HLAWJBBLSA-N 1 0 390.911 3.264 50 0 GGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000012030969 570956357 /nfs/dbraw/zinc/95/63/57/570956357.db2.gz LZOLMYDQVIIPSJ-QHCPKHFHSA-N 1 0 378.516 3.403 50 0 GGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2 ZINC000014532524 570961727 /nfs/dbraw/zinc/96/17/27/570961727.db2.gz KORJZDYTQKEAET-LJQANCHMSA-N 1 0 395.551 3.004 50 0 GGAARO CC(C)c1nc2oc3c(ncnc3N3CC[NH2+]CC3)c2c2c1COC(C)(C)C2 ZINC000002199691 570997235 /nfs/dbraw/zinc/99/72/35/570997235.db2.gz MJESHXFWHOQVNC-UHFFFAOYSA-N 1 0 381.480 3.155 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000095516388 571083817 /nfs/dbraw/zinc/08/38/17/571083817.db2.gz ASGQQZLINLQGFY-MRXNPFEDSA-N 1 0 376.451 3.133 50 0 GGAARO Cc1nc2cc(CC(=O)N3C[C@@H](c4ccc(C)cc4)[C@H]([NH+](C)C)C3)ccc2[nH]1 ZINC000095523280 571088749 /nfs/dbraw/zinc/08/87/49/571088749.db2.gz OIKVNDABBSMWGR-SIKLNZKXSA-N 1 0 376.504 3.278 50 0 GGAARO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979047 1406863428 /nfs/dbraw/zinc/86/34/28/1406863428.db2.gz UISKASFIXQBFMN-VWKPWSFCSA-N 1 0 399.535 3.452 50 0 GGAARO C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CCC[C@@](C)(CO)C3)CC2)cc1 ZINC000055154510 1406895012 /nfs/dbraw/zinc/89/50/12/1406895012.db2.gz MUHYQGKMRZXKFO-WZONZLPQSA-N 1 0 385.552 3.265 50 0 GGAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC000055244040 1406910988 /nfs/dbraw/zinc/91/09/88/1406910988.db2.gz NGRXJRWJKHOGHZ-QFIPXVFZSA-N 1 0 382.508 3.203 50 0 GGAARO O=C(C[NH2+]CCc1c[nH]c2ccccc12)Nc1c2c(nc3ccccc31)CCC2 ZINC000002129578 1398304452 /nfs/dbraw/zinc/30/44/52/1398304452.db2.gz XMYBWPJBLUUQLV-UHFFFAOYSA-N 1 0 384.483 3.398 50 0 GGAARO CC(C)Cc1nc2oc3c(ncnc3N3CC[NH2+]CC3)c2c2c1COC(C)(C)C2 ZINC000002217441 1398304593 /nfs/dbraw/zinc/30/45/93/1398304593.db2.gz MNMUGLFUPVUBAA-UHFFFAOYSA-N 1 0 395.507 3.230 50 0 GGAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002263023 1398305651 /nfs/dbraw/zinc/30/56/51/1398305651.db2.gz OJFVINIKEABWJJ-STQMWFEESA-N 1 0 375.444 3.400 50 0 GGAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002263021 1398305733 /nfs/dbraw/zinc/30/57/33/1398305733.db2.gz OJFVINIKEABWJJ-BETUJISGSA-N 1 0 375.444 3.400 50 0 GGAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002263022 1398305960 /nfs/dbraw/zinc/30/59/60/1398305960.db2.gz OJFVINIKEABWJJ-CHWSQXEVSA-N 1 0 375.444 3.400 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000002322077 1398307245 /nfs/dbraw/zinc/30/72/45/1398307245.db2.gz SKJQTRMXXCBOKD-CQSZACIVSA-N 1 0 387.480 3.414 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000002418819 1398310698 /nfs/dbraw/zinc/31/06/98/1398310698.db2.gz AJFXVFHGHAFORN-LJQANCHMSA-N 1 0 380.419 3.429 50 0 GGAARO Cc1ccc(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)cc1 ZINC000004086851 1398379321 /nfs/dbraw/zinc/37/93/21/1398379321.db2.gz MLCMGKGLRMEHJK-HSZRJFAPSA-N 1 0 379.480 3.417 50 0 GGAARO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004111357 1398380778 /nfs/dbraw/zinc/38/07/78/1398380778.db2.gz GOLJVSJIHHQCQE-JOCHJYFZSA-N 1 0 399.579 3.488 50 0 GGAARO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3)cc2)CC1 ZINC000004123069 1398381787 /nfs/dbraw/zinc/38/17/87/1398381787.db2.gz OKOIUXUWFWEWSI-UHFFFAOYSA-N 1 0 382.533 3.264 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000004271593 1398387808 /nfs/dbraw/zinc/38/78/08/1398387808.db2.gz UXOIKKLVGGJQRR-IBGZPJMESA-N 1 0 395.434 3.214 50 0 GGAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccnc1 ZINC000004301863 1398390408 /nfs/dbraw/zinc/39/04/08/1398390408.db2.gz JYCDYZJCIVZWNA-FQEVSTJZSA-N 1 0 391.471 3.465 50 0 GGAARO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(CCC[NH+](C)C)C3=O ZINC000008590456 1398841582 /nfs/dbraw/zinc/84/15/82/1398841582.db2.gz OLRYJTMDYGFHOE-FQEVSTJZSA-N 1 0 392.455 3.304 50 0 GGAARO Cc1nc(-c2ccccc2)nc2sc3c(ncn(CC[NH+]4CCCC4)c3=O)c21 ZINC000009531379 1398860257 /nfs/dbraw/zinc/86/02/57/1398860257.db2.gz SMZZLHPMXXZTLK-UHFFFAOYSA-N 1 0 391.500 3.472 50 0 GGAARO COc1cn(CC(=O)Nc2cccc(C)c2C)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622031 1398861505 /nfs/dbraw/zinc/86/15/05/1398861505.db2.gz MWDQKTLFXOQFMD-UHFFFAOYSA-N 1 0 397.519 3.488 50 0 GGAARO Cc1ccn2cc(C(=O)N(C)[C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)nc2c1 ZINC000011663733 1399003139 /nfs/dbraw/zinc/00/31/39/1399003139.db2.gz FTTPDBLZUHAEQN-FQEVSTJZSA-N 1 0 388.515 3.347 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000011663614 1399003240 /nfs/dbraw/zinc/00/32/40/1399003240.db2.gz RPYFYBPMZMUMEF-INIZCTEOSA-N 1 0 384.499 3.064 50 0 GGAARO CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011661483 1399003263 /nfs/dbraw/zinc/00/32/63/1399003263.db2.gz DGTXKMLNKBGYOO-LJQANCHMSA-N 1 0 378.472 3.119 50 0 GGAARO COCCN(Cc1cc(C)n[nH]1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011661474 1399003282 /nfs/dbraw/zinc/00/32/82/1399003282.db2.gz MAHBOUIDZHUHMY-LJQANCHMSA-N 1 0 382.552 3.046 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(=O)[nH]c4)C3)C2)c1 ZINC000011704180 1399006203 /nfs/dbraw/zinc/00/62/03/1399006203.db2.gz KLMHWEJNBNZZKA-JOCHJYFZSA-N 1 0 399.466 3.063 50 0 GGAARO O=C(NCc1cccnc1)[C@H]1CC12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000011785630 1399012331 /nfs/dbraw/zinc/01/23/31/1399012331.db2.gz YBNYUBJAGLVVMF-QGZVFWFLSA-N 1 0 385.895 3.359 50 0 GGAARO CC(C)[N@H+](C)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)c(=O)[nH]1 ZINC000011788833 1399012373 /nfs/dbraw/zinc/01/23/73/1399012373.db2.gz UTGWIMZMSOVUTE-UHFFFAOYSA-N 1 0 381.398 3.164 50 0 GGAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)O1 ZINC000011788796 1399012469 /nfs/dbraw/zinc/01/24/69/1399012469.db2.gz JGBKSBMMYAXPHI-OAQYLSRUSA-N 1 0 396.535 3.158 50 0 GGAARO COc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCC2CCCCC2)C3=O)cn1 ZINC000011814889 1399013753 /nfs/dbraw/zinc/01/37/53/1399013753.db2.gz KKODEXHDGHOJOZ-JOCHJYFZSA-N 1 0 386.540 3.270 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011821651 1399014066 /nfs/dbraw/zinc/01/40/66/1399014066.db2.gz OQIQUDSFPUUZRY-SFHVURJKSA-N 1 0 382.464 3.329 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000011821650 1399014458 /nfs/dbraw/zinc/01/44/58/1399014458.db2.gz OQIQUDSFPUUZRY-GOSISDBHSA-N 1 0 382.464 3.329 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cnc(C)n4C)C3)C2)c1OC ZINC000011820228 1399014505 /nfs/dbraw/zinc/01/45/05/1399014505.db2.gz MCJUZYTZXJLJEM-QHCPKHFHSA-N 1 0 398.551 3.234 50 0 GGAARO CCc1noc(C)c1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011817244 1399014624 /nfs/dbraw/zinc/01/46/24/1399014624.db2.gz XPFIJVFKFDDQRU-IBGZPJMESA-N 1 0 382.508 3.315 50 0 GGAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc4ccccc4s3)c(=O)[nH]2)C1 ZINC000011869534 1399015908 /nfs/dbraw/zinc/01/59/08/1399015908.db2.gz AKXBBBIWBTYMRN-CQSZACIVSA-N 1 0 396.516 3.147 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ncoc4C)C3)C2)c1OC ZINC000011879380 1399016449 /nfs/dbraw/zinc/01/64/49/1399016449.db2.gz PZVZZZNHYOBPFB-JOCHJYFZSA-N 1 0 399.491 3.129 50 0 GGAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cc1CO ZINC000011938255 1399018163 /nfs/dbraw/zinc/01/81/63/1399018163.db2.gz MMAUBMKCEBQONS-LJQANCHMSA-N 1 0 384.476 3.383 50 0 GGAARO COc1cccc2ccc(C[N@@H+]3CCC[C@@H](CCC(=O)N4CCOCC4)C3)nc21 ZINC000011957059 1399020213 /nfs/dbraw/zinc/02/02/13/1399020213.db2.gz MBVZMXOUSJCIJD-SFHVURJKSA-N 1 0 397.519 3.094 50 0 GGAARO O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)N1 ZINC000011982111 1399022366 /nfs/dbraw/zinc/02/23/66/1399022366.db2.gz WFVMLYSFDBCSOQ-OPAMFIHVSA-N 1 0 385.483 3.015 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)nn1 ZINC000012037694 1399024532 /nfs/dbraw/zinc/02/45/32/1399024532.db2.gz ADQGYPUJZISQBQ-IBGZPJMESA-N 1 0 392.507 3.145 50 0 GGAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1C ZINC000012058040 1399025803 /nfs/dbraw/zinc/02/58/03/1399025803.db2.gz NCWLRNYGCOZQPR-JOCHJYFZSA-N 1 0 387.524 3.146 50 0 GGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000012185053 1399032598 /nfs/dbraw/zinc/03/25/98/1399032598.db2.gz VBPXSQVFEPHGCF-MRXNPFEDSA-N 1 0 390.487 3.228 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cnsn1 ZINC000012197361 1399032653 /nfs/dbraw/zinc/03/26/53/1399032653.db2.gz YNPKSLCMTZTGOB-OAHLLOKOSA-N 1 0 378.929 3.218 50 0 GGAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C ZINC000012190160 1399032840 /nfs/dbraw/zinc/03/28/40/1399032840.db2.gz HRTXBADUFBPCBJ-UHFFFAOYSA-N 1 0 398.536 3.113 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)n[nH]1 ZINC000012206212 1399033238 /nfs/dbraw/zinc/03/32/38/1399033238.db2.gz ARRCMEOLHKTMPJ-IBGZPJMESA-N 1 0 384.524 3.144 50 0 GGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccncc2)N1CC1(c2ccccc2)CCOCC1 ZINC000012243797 1399034341 /nfs/dbraw/zinc/03/43/41/1399034341.db2.gz ZPLFNLCEZQIYCN-QFIPXVFZSA-N 1 0 393.531 3.301 50 0 GGAARO O=c1c2c3c(sc2ncn1CCCO)C[C@@H]([NH2+]C1CCCCCC1)CC3 ZINC000012245737 1399034819 /nfs/dbraw/zinc/03/48/19/1399034819.db2.gz JPSVUCVLTGXWTB-HNNXBMFYSA-N 1 0 375.538 3.010 50 0 GGAARO O=C(NC1CC1)c1cn(C2CC[NH+](Cc3ccc4ccccc4c3)CC2)nn1 ZINC000012279741 1399036932 /nfs/dbraw/zinc/03/69/32/1399036932.db2.gz GLGPEGRJSBQUSU-UHFFFAOYSA-N 1 0 375.476 3.161 50 0 GGAARO Cc1nonc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012299435 1399036966 /nfs/dbraw/zinc/03/69/66/1399036966.db2.gz OIXJTQVHBCXSLA-INIZCTEOSA-N 1 0 376.888 3.058 50 0 GGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc(C)n4)C3)C2=O)c1 ZINC000012307464 1399038087 /nfs/dbraw/zinc/03/80/87/1399038087.db2.gz MBIXNKDLNMZTRS-HSZRJFAPSA-N 1 0 379.504 3.413 50 0 GGAARO CC(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000012316100 1399038471 /nfs/dbraw/zinc/03/84/71/1399038471.db2.gz YVIPRSQFFMAZHM-OAQYLSRUSA-N 1 0 399.579 3.094 50 0 GGAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)cn1 ZINC000012372823 1399040037 /nfs/dbraw/zinc/04/00/37/1399040037.db2.gz NGPLARKOGDJEHK-OAQYLSRUSA-N 1 0 386.446 3.078 50 0 GGAARO C[NH+](C)CCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 ZINC000012419337 1399041258 /nfs/dbraw/zinc/04/12/58/1399041258.db2.gz VKPJEOHWEGDEEC-UHFFFAOYSA-N 1 0 375.450 3.131 50 0 GGAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1 ZINC000012429558 1399041859 /nfs/dbraw/zinc/04/18/59/1399041859.db2.gz SWYUDNZJMUIXOT-LJQANCHMSA-N 1 0 389.971 3.437 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)c1[nH]nc2ccccc21 ZINC000012433303 1399041944 /nfs/dbraw/zinc/04/19/44/1399041944.db2.gz RYLVSQSVZNENJU-QGZVFWFLSA-N 1 0 390.487 3.140 50 0 GGAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1 ZINC000012429559 1399042245 /nfs/dbraw/zinc/04/22/45/1399042245.db2.gz SWYUDNZJMUIXOT-IBGZPJMESA-N 1 0 389.971 3.437 50 0 GGAARO O=C(CCn1cccn1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012441788 1399043127 /nfs/dbraw/zinc/04/31/27/1399043127.db2.gz NUWTZURBIPUBCQ-QHCPKHFHSA-N 1 0 380.536 3.221 50 0 GGAARO CN(Cc1ccno1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012459042 1399043718 /nfs/dbraw/zinc/04/37/18/1399043718.db2.gz LWHQZFGCLNXUCZ-HXUWFJFHSA-N 1 0 387.524 3.311 50 0 GGAARO COCC(=O)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)Cc1ccccn1 ZINC000012452965 1399043766 /nfs/dbraw/zinc/04/37/66/1399043766.db2.gz KJRMPMYIWFWPTB-UHFFFAOYSA-N 1 0 397.519 3.122 50 0 GGAARO CN(Cc1ccno1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012459040 1399043918 /nfs/dbraw/zinc/04/39/18/1399043918.db2.gz LWHQZFGCLNXUCZ-FQEVSTJZSA-N 1 0 387.524 3.311 50 0 GGAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456958 1399044082 /nfs/dbraw/zinc/04/40/82/1399044082.db2.gz OOQXVKFIIQKPFU-QHCPKHFHSA-N 1 0 380.536 3.386 50 0 GGAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000012511429 1399046525 /nfs/dbraw/zinc/04/65/25/1399046525.db2.gz JDRIMHFGEVROSH-SJORKVTESA-N 1 0 394.462 3.121 50 0 GGAARO CCN1CCN(C(=O)CCC2CC[NH+](C/C=C/c3ccc(OC)cc3)CC2)CC1 ZINC000012580449 1399048165 /nfs/dbraw/zinc/04/81/65/1399048165.db2.gz UARCYFPRMGONJN-SNAWJCMRSA-N 1 0 399.579 3.365 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccnc3)C2)c(-c2ccccc2)n1 ZINC000012580136 1399048203 /nfs/dbraw/zinc/04/82/03/1399048203.db2.gz DQUSJGPPQMADIU-SFHVURJKSA-N 1 0 389.503 3.124 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1cn(C2CCCCC2)nn1 ZINC000012581996 1399048678 /nfs/dbraw/zinc/04/86/78/1399048678.db2.gz ULMFAYKJTAIHBV-LJQANCHMSA-N 1 0 381.524 3.393 50 0 GGAARO Fc1cccc(-c2cnnc(N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000012582860 1399049195 /nfs/dbraw/zinc/04/91/95/1399049195.db2.gz RDIAMWNNEQDMQU-NRFANRHFSA-N 1 0 389.478 3.357 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)cc1 ZINC000012593359 1399049645 /nfs/dbraw/zinc/04/96/45/1399049645.db2.gz BUXZSNWWGPEPIE-HSZRJFAPSA-N 1 0 399.535 3.077 50 0 GGAARO Cc1ccc(F)cc1C[NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012702444 1399053766 /nfs/dbraw/zinc/05/37/66/1399053766.db2.gz UIOXCFHMDKPXRH-OAQYLSRUSA-N 1 0 392.421 3.056 50 0 GGAARO Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012702437 1399053936 /nfs/dbraw/zinc/05/39/36/1399053936.db2.gz UIOXCFHMDKPXRH-NRFANRHFSA-N 1 0 392.421 3.056 50 0 GGAARO O=C(c1ccc(=O)[nH]c1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012703515 1399054455 /nfs/dbraw/zinc/05/44/55/1399054455.db2.gz CFCIKCGDFLVETB-HSZRJFAPSA-N 1 0 379.504 3.348 50 0 GGAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCc2cnccn2)C1 ZINC000012704561 1399054481 /nfs/dbraw/zinc/05/44/81/1399054481.db2.gz GHOXHYLFUBRPAV-HXUWFJFHSA-N 1 0 380.536 3.131 50 0 GGAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3cccc4cnccc43)CC2)CC1 ZINC000012709911 1399054531 /nfs/dbraw/zinc/05/45/31/1399054531.db2.gz WKGDBVPIDAYWBM-UHFFFAOYSA-N 1 0 394.563 3.391 50 0 GGAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cccnc1 ZINC000012707690 1399054990 /nfs/dbraw/zinc/05/49/90/1399054990.db2.gz DRPCNGCAIVEXRX-IBGZPJMESA-N 1 0 393.531 3.050 50 0 GGAARO CC(=O)Nc1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012719006 1399055805 /nfs/dbraw/zinc/05/58/05/1399055805.db2.gz HTSAMDSBBOOGTQ-QFIPXVFZSA-N 1 0 391.515 3.349 50 0 GGAARO COc1ccc(C(=O)N(C)Cc2ccon2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012712074 1399055834 /nfs/dbraw/zinc/05/58/34/1399055834.db2.gz ZWODJBAVJIUHOU-UHFFFAOYSA-N 1 0 387.480 3.207 50 0 GGAARO O=C(CCc1cn[nH]c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012836594 1399060955 /nfs/dbraw/zinc/06/09/55/1399060955.db2.gz HQPMZKKHWFODQG-NRFANRHFSA-N 1 0 388.462 3.135 50 0 GGAARO COC(=O)c1ccc(C[NH+]2CCC(CO)(Cc3cccc(OC)c3)CC2)cc1 ZINC000013594632 1399080618 /nfs/dbraw/zinc/08/06/18/1399080618.db2.gz QYVNWCZAHFKWMH-UHFFFAOYSA-N 1 0 383.488 3.299 50 0 GGAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccncc1)C2 ZINC000014740497 1399117781 /nfs/dbraw/zinc/11/77/81/1399117781.db2.gz ISMCYAGHQDTIRQ-IBGZPJMESA-N 1 0 395.551 3.351 50 0 GGAARO CN(C)C(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014755786 1399118225 /nfs/dbraw/zinc/11/82/25/1399118225.db2.gz MAXIUIHQWLETPR-VQTJNVASSA-N 1 0 384.495 3.474 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000014958355 1399128929 /nfs/dbraw/zinc/12/89/29/1399128929.db2.gz ILKOFAFPBHQIDN-CYBMUJFWSA-N 1 0 381.835 3.260 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H](C)CSC)CC2)c1 ZINC000014965866 1399129433 /nfs/dbraw/zinc/12/94/33/1399129433.db2.gz DFIDUAPBLDAHGJ-CQSZACIVSA-N 1 0 378.538 3.182 50 0 GGAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000014973050 1399129449 /nfs/dbraw/zinc/12/94/49/1399129449.db2.gz ZXKVGKDHGPUDQD-OAQYLSRUSA-N 1 0 391.462 3.395 50 0 GGAARO Cc1nn(C)cc1CN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000014977508 1399129851 /nfs/dbraw/zinc/12/98/51/1399129851.db2.gz BWLWEFGIPRLTOS-SFHVURJKSA-N 1 0 394.441 3.418 50 0 GGAARO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 ZINC000014996297 1399130286 /nfs/dbraw/zinc/13/02/86/1399130286.db2.gz QDSSWGAOSJGVJB-FQEVSTJZSA-N 1 0 397.519 3.086 50 0 GGAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1c(F)ccc(F)c1F)CCO2 ZINC000014997569 1399130319 /nfs/dbraw/zinc/13/03/19/1399130319.db2.gz PHXVQTYYLDGIFG-OAQYLSRUSA-N 1 0 394.437 3.268 50 0 GGAARO C=CCN1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000015006123 1399130733 /nfs/dbraw/zinc/13/07/33/1399130733.db2.gz OIPPUNCSJWACDI-AEFFLSMTSA-N 1 0 388.508 3.124 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1(c2ccccc2)CC1 ZINC000019301074 1399329251 /nfs/dbraw/zinc/32/92/51/1399329251.db2.gz UAKIMILPUOGARZ-UHFFFAOYSA-N 1 0 383.580 3.373 50 0 GGAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c1 ZINC000019770204 1399338167 /nfs/dbraw/zinc/33/81/67/1399338167.db2.gz ZUWFYCXBORDXQB-KRWDZBQOSA-N 1 0 382.489 3.378 50 0 GGAARO C[C@@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000019850807 1399339565 /nfs/dbraw/zinc/33/95/65/1399339565.db2.gz MDIFEKUOJODMCH-OALUTQOASA-N 1 0 395.551 3.436 50 0 GGAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207469 1399343560 /nfs/dbraw/zinc/34/35/60/1399343560.db2.gz STTYNTMUXOKOMU-MRXNPFEDSA-N 1 0 386.927 3.177 50 0 GGAARO Cc1ccccc1-c1ncc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cn1 ZINC000020233545 1399344351 /nfs/dbraw/zinc/34/43/51/1399344351.db2.gz ILEDDNZAPFCDBH-NRFANRHFSA-N 1 0 380.536 3.263 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1CC1CCCCC1 ZINC000020534933 1399347901 /nfs/dbraw/zinc/34/79/01/1399347901.db2.gz LYMRPLVGXNULSX-JOCHJYFZSA-N 1 0 382.552 3.321 50 0 GGAARO CC1(C)C[C@@H](C[NH2+]Cc2cccnc2N2CCN(c3ccccn3)CC2)CCO1 ZINC000020598456 1399349306 /nfs/dbraw/zinc/34/93/06/1399349306.db2.gz XLBUBIHOIKZQLQ-IBGZPJMESA-N 1 0 395.551 3.098 50 0 GGAARO Cc1nnc(SCC(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000020599377 1399349570 /nfs/dbraw/zinc/34/95/70/1399349570.db2.gz JBFBHXYNDQAOJR-KRWDZBQOSA-N 1 0 390.578 3.152 50 0 GGAARO Cn1cccc1[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000021152880 1399367374 /nfs/dbraw/zinc/36/73/74/1399367374.db2.gz QQIUDVGMRSJRED-SFHVURJKSA-N 1 0 395.334 3.050 50 0 GGAARO Cc1c2ccccc2oc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022016387 1399431345 /nfs/dbraw/zinc/43/13/45/1399431345.db2.gz DAQWOASDTRKLAW-UHFFFAOYSA-N 1 0 377.488 3.289 50 0 GGAARO O=C(CC[N@@H+]1CC[C@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022216137 1399445173 /nfs/dbraw/zinc/44/51/73/1399445173.db2.gz URQRSYRFKGGKGY-KRWDZBQOSA-N 1 0 381.428 3.249 50 0 GGAARO O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022411183 1399461534 /nfs/dbraw/zinc/46/15/34/1399461534.db2.gz PYCMBSQFCCQGRY-UHFFFAOYSA-N 1 0 399.579 3.437 50 0 GGAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022579766 1399479721 /nfs/dbraw/zinc/47/97/21/1399479721.db2.gz YCXLBPPWFDPTFQ-JOCHJYFZSA-N 1 0 381.520 3.031 50 0 GGAARO O=c1cc(C2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)nc[nH]1 ZINC000023145300 1399534954 /nfs/dbraw/zinc/53/49/54/1399534954.db2.gz DJEABLOJSNEERU-UHFFFAOYSA-N 1 0 376.460 3.124 50 0 GGAARO COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000023153265 1399535561 /nfs/dbraw/zinc/53/55/61/1399535561.db2.gz MZTWCCZSMPTOAR-KRWDZBQOSA-N 1 0 382.932 3.256 50 0 GGAARO O=c1cc(C2CCCC2)nc(-c2ccc(CN3CC[N@@H+]4CCC[C@@H]4C3)cc2)[nH]1 ZINC000023192943 1399537813 /nfs/dbraw/zinc/53/78/13/1399537813.db2.gz NGBQYJHHXAAPGP-HXUWFJFHSA-N 1 0 378.520 3.375 50 0 GGAARO Cc1cc(=O)[nH]c(CNC(=O)c2ccc([C@H]3CCC[N@@H+]3C3CCCC3)s2)n1 ZINC000023250993 1399544505 /nfs/dbraw/zinc/54/45/05/1399544505.db2.gz UGJBSAVONKZEOE-OAHLLOKOSA-N 1 0 386.521 3.149 50 0 GGAARO Cc1c(C[NH+]2CCN(c3ccccc3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281178 1399547191 /nfs/dbraw/zinc/54/71/91/1399547191.db2.gz MENJYIGWJYHWCN-UHFFFAOYSA-N 1 0 376.504 3.115 50 0 GGAARO COc1cccc(-n2cc(-c3ccnc(NC[C@@H]4CCCC[N@@H+]4C)n3)cn2)c1 ZINC000023337232 1399550241 /nfs/dbraw/zinc/55/02/41/1399550241.db2.gz ZMZCXLVFKHGROR-SFHVURJKSA-N 1 0 378.480 3.234 50 0 GGAARO CCCn1ncc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000023360687 1399552958 /nfs/dbraw/zinc/55/29/58/1399552958.db2.gz CRTNSWILELHMDV-QHCPKHFHSA-N 1 0 384.568 3.103 50 0 GGAARO Cc1nc(-c2ccc(N3CCC([NH2+]CCc4nncn4C)CC3)cc2)cs1 ZINC000023428743 1399559638 /nfs/dbraw/zinc/55/96/38/1399559638.db2.gz HRHQJSSYOHTELE-UHFFFAOYSA-N 1 0 382.537 3.048 50 0 GGAARO CCOC(=O)[C@H]1CCCN(c2cc(C)c3c(cc(OC)c(OC)c3OC)[nH+]2)C1 ZINC000023634695 1399576612 /nfs/dbraw/zinc/57/66/12/1399576612.db2.gz IDOPMKRLRUBNMM-AWEZNQCLSA-N 1 0 388.464 3.349 50 0 GGAARO Cc1nc(-c2cc(=O)[nH]c(-c3ccccc3C[NH+]3CCSCC3)n2)cs1 ZINC000048267840 1405120890 /nfs/dbraw/zinc/12/08/90/1405120890.db2.gz BVBCKGNMKUHVRT-UHFFFAOYSA-N 1 0 384.530 3.418 50 0 GGAARO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000048428235 1405188210 /nfs/dbraw/zinc/18/82/10/1405188210.db2.gz HPAKIRYKCCUNCW-INIZCTEOSA-N 1 0 381.863 3.324 50 0 GGAARO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]2CCC[N@@H+]21 ZINC000057121070 1407524762 /nfs/dbraw/zinc/52/47/62/1407524762.db2.gz HMWRHXHEXYTHQM-CECAUBDESA-N 1 0 379.435 3.405 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH2+]Cc1ccccc1 ZINC000058176930 1407793371 /nfs/dbraw/zinc/79/33/71/1407793371.db2.gz WEVDNGDCTGDNSC-UHFFFAOYSA-N 1 0 381.432 3.082 50 0 GGAARO Cc1ccc(-n2cc(CN3CC[NH+](CCO)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000065454217 1408671735 /nfs/dbraw/zinc/67/17/35/1408671735.db2.gz UPOSKMQKWRZSBG-UHFFFAOYSA-N 1 0 394.494 3.097 50 0 GGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286554 1409064531 /nfs/dbraw/zinc/06/45/31/1409064531.db2.gz XSPQMMLPWBGKCO-FQEVSTJZSA-N 1 0 385.508 3.296 50 0 GGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286550 1409064621 /nfs/dbraw/zinc/06/46/21/1409064621.db2.gz XSPQMMLPWBGKCO-HXUWFJFHSA-N 1 0 385.508 3.296 50 0 GGAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000067291756 1409065761 /nfs/dbraw/zinc/06/57/61/1409065761.db2.gz ULNDSVIXXYZNAI-UHFFFAOYSA-N 1 0 392.912 3.335 50 0 GGAARO Cc1ncc(CO)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)c1O ZINC000067654775 1409199029 /nfs/dbraw/zinc/19/90/29/1409199029.db2.gz WMHJXQVJEINAOP-GOSISDBHSA-N 1 0 392.503 3.281 50 0 GGAARO O=C(CCCN1CCCC1=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000067872839 1409247299 /nfs/dbraw/zinc/24/72/99/1409247299.db2.gz TWBABAXMUPTBIZ-QHCPKHFHSA-N 1 0 389.584 3.284 50 0 GGAARO c1ccc2c(c1)[nH]c1c2CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]C3)C1 ZINC000071422466 1409823430 /nfs/dbraw/zinc/82/34/30/1409823430.db2.gz GVZNLHLLBJRYQN-UHFFFAOYSA-N 1 0 382.471 3.228 50 0 GGAARO COc1ccc2ccc(OCc3nc(C(=O)N4C[C@@H](C)[NH2+]C[C@@H]4C)co3)cc2c1 ZINC000071613799 1409823784 /nfs/dbraw/zinc/82/37/84/1409823784.db2.gz PLWNYDDTXMINGK-CABCVRRESA-N 1 0 395.459 3.238 50 0 GGAARO O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCC(Nc2ccccn2)CC1 ZINC000072162391 1409849350 /nfs/dbraw/zinc/84/93/50/1409849350.db2.gz ADLIHBXQTKFYNB-LJQANCHMSA-N 1 0 378.520 3.340 50 0 GGAARO Cn1cc([C@@H](CNS(=O)(=O)Cc2cccc(F)c2)[NH+](C)C)c2ccccc21 ZINC000077171689 1409893724 /nfs/dbraw/zinc/89/37/24/1409893724.db2.gz BNVBQZWAIKUCTJ-HXUWFJFHSA-N 1 0 389.496 3.040 50 0 GGAARO COCCn1cc(CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079190504 1409962109 /nfs/dbraw/zinc/96/21/09/1409962109.db2.gz UXSANNAFYIKTLF-GHTZIAJQSA-N 1 0 383.536 3.211 50 0 biogenic GGAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]c1=O ZINC000091452392 1410073969 /nfs/dbraw/zinc/07/39/69/1410073969.db2.gz RUDKVQAYTMLOMQ-ZDUSSCGKSA-N 1 0 381.263 3.109 50 0 GGAARO Cc1ccccc1CNC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095510714 1410315596 /nfs/dbraw/zinc/31/55/96/1410315596.db2.gz SWUKGIUMPPTHQH-HXUWFJFHSA-N 1 0 383.540 3.232 50 0 GGAARO Cc1ccccc1CNC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095510713 1410315648 /nfs/dbraw/zinc/31/56/48/1410315648.db2.gz SWUKGIUMPPTHQH-FQEVSTJZSA-N 1 0 383.540 3.232 50 0 GGAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)cc1OC ZINC000096027684 1410322559 /nfs/dbraw/zinc/32/25/59/1410322559.db2.gz WESXHKYXJKUTNV-MRXNPFEDSA-N 1 0 379.884 3.238 50 0 GGAARO CC[NH+](CC)CCCN1C(=O)c2ccccc2[C@@H]1S(=O)(=O)c1ccccc1 ZINC000096027042 1410322783 /nfs/dbraw/zinc/32/27/83/1410322783.db2.gz DCEHHSHWHMVWKS-NRFANRHFSA-N 1 0 386.517 3.347 50 0 GGAARO COc1ccc(CC[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)cc1OC ZINC000096027685 1410322972 /nfs/dbraw/zinc/32/29/72/1410322972.db2.gz WESXHKYXJKUTNV-INIZCTEOSA-N 1 0 379.884 3.238 50 0 GGAARO CNC(=O)c1ccc(Cl)c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000162584151 1424869284 /nfs/dbraw/zinc/86/92/84/1424869284.db2.gz CPRSPKLIGQPRTH-UHFFFAOYSA-N 1 0 378.904 3.182 50 0 GGAARO O=C(c1ccc2nsnc2c1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225688698 1433367662 /nfs/dbraw/zinc/36/76/62/1433367662.db2.gz NTLZQPZQJPGMSJ-UHFFFAOYSA-N 1 0 384.530 3.416 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000226848242 1433368949 /nfs/dbraw/zinc/36/89/49/1433368949.db2.gz ZYZUPOYQAQQFRW-FCEWJHQRSA-N 1 0 389.927 3.074 50 0 biogenic GGAARO O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000244742044 1433453496 /nfs/dbraw/zinc/45/34/96/1433453496.db2.gz OBAUUKNVHVFOCX-VABKMULXSA-N 1 0 384.564 3.341 50 0 GGAARO O=C(NC1CC1)c1cn([C@H]2CC[C@@H]([NH2+]Cc3nc4ccccc4s3)CC2)nn1 ZINC000244795778 1433453570 /nfs/dbraw/zinc/45/35/70/1433453570.db2.gz RNLIFVVYPIABRF-OTVXOJSOSA-N 1 0 396.520 3.054 50 0 GGAARO O=C(Cn1c(=O)oc2ccccc21)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000247833354 1433753027 /nfs/dbraw/zinc/75/30/27/1433753027.db2.gz LRRFYOMYOQYASR-UHFFFAOYSA-N 1 0 399.878 3.029 50 0 GGAARO Cc1cc(C)cc(C2(CNC(=O)c3cn(C[C@@H]4CCC[NH2+]C4)nn3)CCCC2)c1 ZINC000216441128 222576397 /nfs/dbraw/zinc/57/63/97/222576397.db2.gz MIUMJFDHPJDVHV-LJQANCHMSA-N 1 0 395.551 3.136 50 0 GGAARO COc1ccc(CC[NH2+]Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC ZINC000019560637 210263275 /nfs/dbraw/zinc/26/32/75/210263275.db2.gz XLDOABFQGIUFQN-UHFFFAOYSA-N 1 0 399.516 3.213 50 0 GGAARO COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1O ZINC000019536774 210258015 /nfs/dbraw/zinc/25/80/15/210258015.db2.gz GBVWETTXONGVIH-UHFFFAOYSA-N 1 0 391.309 3.481 50 0 GGAARO C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1Cl ZINC000192143640 231028057 /nfs/dbraw/zinc/02/80/57/231028057.db2.gz JGGBASIEQNENNZ-MRXNPFEDSA-N 1 0 378.948 3.070 50 0 GGAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1cccc(Cl)c1 ZINC000019362114 210244547 /nfs/dbraw/zinc/24/45/47/210244547.db2.gz BXZQWBSRVZLWCC-UHFFFAOYSA-N 1 0 390.911 3.349 50 0 GGAARO O=C(NCc1ccc(F)cc1F)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000426398277 231214907 /nfs/dbraw/zinc/21/49/07/231214907.db2.gz ZQJUBUVNRNGURZ-FQEVSTJZSA-N 1 0 385.458 3.350 50 0 GGAARO Cc1ccccc1[C@@H](NC(=O)c1cc(F)ccc1OCC[NH3+])c1ccncc1 ZINC000426442087 231222234 /nfs/dbraw/zinc/22/22/34/231222234.db2.gz XRSVGTGQZTVTKQ-NRFANRHFSA-N 1 0 379.435 3.386 50 0 GGAARO Cc1ccc2[nH]c(CN(C)C(=O)NC[C@H]3Cc4ccccc4C[N@@H+]3C)nc2c1 ZINC000426424417 231219679 /nfs/dbraw/zinc/21/96/79/231219679.db2.gz WLHGIKPPYZFIDS-GOSISDBHSA-N 1 0 377.492 3.069 50 0 GGAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC(Oc2ccccc2)C1 ZINC000426434414 231221043 /nfs/dbraw/zinc/22/10/43/231221043.db2.gz CWJDVUDHOWPNDE-UHFFFAOYSA-N 1 0 379.504 3.371 50 0 GGAARO COc1cc2cc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)[nH]c2cc1OC ZINC000409414810 231203926 /nfs/dbraw/zinc/20/39/26/231203926.db2.gz OSXFYMKGGYDKHY-UHFFFAOYSA-N 1 0 383.448 3.378 50 0 GGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cccc(-c3cnn(C)c3)c2)CC1 ZINC000426373883 231209681 /nfs/dbraw/zinc/20/96/81/231209681.db2.gz XSPKPZQAENOYTL-UHFFFAOYSA-N 1 0 375.476 3.143 50 0 GGAARO Cc1nccn1CCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426373890 231209863 /nfs/dbraw/zinc/20/98/63/231209863.db2.gz YIBGMVRFLWLLAI-OAQYLSRUSA-N 1 0 383.540 3.450 50 0 GGAARO Cc1nccn1CCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426373889 231210205 /nfs/dbraw/zinc/21/02/05/231210205.db2.gz YIBGMVRFLWLLAI-NRFANRHFSA-N 1 0 383.540 3.450 50 0 GGAARO CCc1oc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1C[NH+]1CCCC1 ZINC000426396067 231213263 /nfs/dbraw/zinc/21/32/63/231213263.db2.gz YHEMQQFOOGGQFH-QGZVFWFLSA-N 1 0 384.476 3.398 50 0 GGAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)n1 ZINC000426479114 231225706 /nfs/dbraw/zinc/22/57/06/231225706.db2.gz RASWXCMGCGBGRN-FQEVSTJZSA-N 1 0 392.503 3.229 50 0 GGAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000426485566 231225718 /nfs/dbraw/zinc/22/57/18/231225718.db2.gz CMBKJJIWNSPWTI-LJQANCHMSA-N 1 0 389.503 3.336 50 0 GGAARO O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)N1CC[NH+](CC2CCC2)CC1 ZINC000426486133 231226907 /nfs/dbraw/zinc/22/69/07/231226907.db2.gz KQEXCLUMFWXLMQ-NRFANRHFSA-N 1 0 382.483 3.437 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000426523295 231235806 /nfs/dbraw/zinc/23/58/06/231235806.db2.gz ZWDJBFLMMYKQGV-OAQYLSRUSA-N 1 0 385.552 3.468 50 0 GGAARO COc1cncc(-c2cccc(C(=O)N3CCN(c4cc[nH+]cc4C)CC3)c2)c1 ZINC000426548770 231240100 /nfs/dbraw/zinc/24/01/00/231240100.db2.gz LJBMNALHCOOIJH-UHFFFAOYSA-N 1 0 388.471 3.423 50 0 GGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000426589799 231244336 /nfs/dbraw/zinc/24/43/36/231244336.db2.gz PRMDSLGREHIERK-LJQANCHMSA-N 1 0 381.524 3.097 50 0 GGAARO Cc1nc2c(NC(=O)NC[C@@H](c3ccccc3F)[NH+]3CCCC3)cccn2n1 ZINC000426597267 231245360 /nfs/dbraw/zinc/24/53/60/231245360.db2.gz QVQDQUPQDFXCKH-SFHVURJKSA-N 1 0 382.443 3.135 50 0 GGAARO C[NH+]1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000019363251 210242962 /nfs/dbraw/zinc/24/29/62/210242962.db2.gz DPATXIOWAAARMH-GAWOJFTKSA-N 1 0 384.564 3.142 50 0 GGAARO COc1cc2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)c2cc1OC ZINC000504533389 231324907 /nfs/dbraw/zinc/32/49/07/231324907.db2.gz QOJNPOIRHXXSKM-NVXWUHKLSA-N 1 0 385.508 3.190 50 0 GGAARO Cc1nc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3CC3CCOCC3)s2)n(C)n1 ZINC000019334812 210241832 /nfs/dbraw/zinc/24/18/32/210241832.db2.gz WIFURDLVBJYVSG-HNNXBMFYSA-N 1 0 389.525 3.001 50 0 GGAARO Cc1ncc2c(c1-c1noc(-c3cscn3)n1)CC[N@H+](C1CCOCC1)C2 ZINC000019338079 210241329 /nfs/dbraw/zinc/24/13/29/210241329.db2.gz MYHFILZZCVZRNG-UHFFFAOYSA-N 1 0 383.477 3.101 50 0 GGAARO Cn1cc(CN2CC[NH+](CCO)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000019333939 210241357 /nfs/dbraw/zinc/24/13/57/210241357.db2.gz JJLYKUBAZDSDJJ-UHFFFAOYSA-N 1 0 382.552 3.245 50 0 GGAARO CCc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)[nH]n1 ZINC000426730537 529527528 /nfs/dbraw/zinc/52/75/28/529527528.db2.gz VICFCWWXTJZJEU-OAQYLSRUSA-N 1 0 388.462 3.265 50 0 GGAARO CCc1cc(Cl)ccc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000426652993 529528704 /nfs/dbraw/zinc/52/87/04/529528704.db2.gz QKQHZDDKGJGKIW-UHFFFAOYSA-N 1 0 378.948 3.394 50 0 GGAARO CSCCCN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000019301024 210240591 /nfs/dbraw/zinc/24/05/91/210240591.db2.gz KVOIFPGYQSIIOO-FQEVSTJZSA-N 1 0 389.609 3.232 50 0 GGAARO CSCCCN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000019301023 210240142 /nfs/dbraw/zinc/24/01/42/210240142.db2.gz KVOIFPGYQSIIOO-HXUWFJFHSA-N 1 0 389.609 3.232 50 0 GGAARO C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@@H](n4ccnc4)C3)CC2)cc1 ZINC000019300501 210239221 /nfs/dbraw/zinc/23/92/21/210239221.db2.gz KWCSLOJBJUSRCR-PGRDOPGGSA-N 1 0 393.535 3.314 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)NCC[C@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426602590 529644541 /nfs/dbraw/zinc/64/45/41/529644541.db2.gz ZRTAEHJNVWFPEA-QGZVFWFLSA-N 1 0 398.576 3.136 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CCC[N@H+](C)C4)csc3C2)nc1 ZINC000426477242 529644794 /nfs/dbraw/zinc/64/47/94/529644794.db2.gz QAZSTKUGYBPIBJ-GOSISDBHSA-N 1 0 398.576 3.088 50 0 GGAARO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(-c2nc(C3CCC3)cc(=O)[nH]2)cc1 ZINC000019222400 210233383 /nfs/dbraw/zinc/23/33/83/210233383.db2.gz KQVRRQORBFUHAV-UHFFFAOYSA-N 1 0 377.492 3.378 50 0 GGAARO Nc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)ccn1 ZINC000019222228 210232096 /nfs/dbraw/zinc/23/20/96/210232096.db2.gz ANDFITFROQPOTC-OAQYLSRUSA-N 1 0 386.446 3.070 50 0 GGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)CC1 ZINC000019217713 210230936 /nfs/dbraw/zinc/23/09/36/210230936.db2.gz LDNJGZQYQAWEDA-NRFANRHFSA-N 1 0 380.536 3.185 50 0 GGAARO CC(=O)N1CCN(C(=O)c2ccc([C@H]3CCC[N@H+]3C/C=C/C(C)C)s2)CC1 ZINC000019146565 210229574 /nfs/dbraw/zinc/22/95/74/210229574.db2.gz VKRSKIAFBJUOJY-MJICGBHWSA-N 1 0 389.565 3.402 50 0 GGAARO COc1ccc(Cl)cc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000018223100 210218338 /nfs/dbraw/zinc/21/83/38/210218338.db2.gz LKECIWWHEALCCE-KRWDZBQOSA-N 1 0 397.862 3.294 50 0 GGAARO COc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000018088271 210213047 /nfs/dbraw/zinc/21/30/47/210213047.db2.gz JOAVPDOYKBZGKI-KRWDZBQOSA-N 1 0 397.862 3.294 50 0 GGAARO Cc1ccc(-c2c[n+](CC(=O)Nc3ccc4c(c3)OCO4)c3n2CCC3)cc1 ZINC000016956737 210200321 /nfs/dbraw/zinc/20/03/21/210200321.db2.gz GNWKQJDILDSYCG-UHFFFAOYSA-O 1 0 376.436 3.065 50 0 GGAARO COc1ccccc1OCC[NH2+]CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000016695459 210195214 /nfs/dbraw/zinc/19/52/14/210195214.db2.gz KDCQJORMUGTUDU-QGZVFWFLSA-N 1 0 382.504 3.420 50 0 GGAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 ZINC000016610318 210193377 /nfs/dbraw/zinc/19/33/77/210193377.db2.gz HVKYLEPXPKZWLP-HNNXBMFYSA-N 1 0 383.492 3.353 50 0 GGAARO O=C(COCc1cc(-c2cccs2)on1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015679218 210162576 /nfs/dbraw/zinc/16/25/76/210162576.db2.gz TUWIXSMKEUZFEC-UHFFFAOYSA-N 1 0 389.521 3.397 50 0 GGAARO Cc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671197 210160448 /nfs/dbraw/zinc/16/04/48/210160448.db2.gz APJSJYMWYMDDLM-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO Cc1ccc(C)c(C[NH2+][C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c1 ZINC000015074276 210150102 /nfs/dbraw/zinc/15/01/02/210150102.db2.gz DYSKOFVKEINCGY-NRFANRHFSA-N 1 0 380.536 3.469 50 0 GGAARO COCC[NH+]1CCC(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000015073183 210149772 /nfs/dbraw/zinc/14/97/72/210149772.db2.gz RLGVGRMZDWIAQX-UHFFFAOYSA-N 1 0 378.904 3.180 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCSC)C3)C2)c1OC ZINC000015073619 210149685 /nfs/dbraw/zinc/14/96/85/210149685.db2.gz LSFQBGCBFOXNIF-NRFANRHFSA-N 1 0 392.565 3.271 50 0 GGAARO Cc1ccccc1CC(=O)N1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000015075671 210149357 /nfs/dbraw/zinc/14/93/57/210149357.db2.gz IZWZXNMVZNDXAB-HXUWFJFHSA-N 1 0 399.579 3.109 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015067564 210149059 /nfs/dbraw/zinc/14/90/59/210149059.db2.gz FDCXQQJKDKLVBG-NRFANRHFSA-N 1 0 382.552 3.183 50 0 GGAARO CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)C3(C)CCCCC3)CC2)CC1 ZINC000015070980 210148745 /nfs/dbraw/zinc/14/87/45/210148745.db2.gz HKPZESRIUOAQCN-UHFFFAOYSA-N 1 0 377.573 3.184 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)o1 ZINC000015067622 210148439 /nfs/dbraw/zinc/14/84/39/210148439.db2.gz NBKIHIPCUAFMSP-KRWDZBQOSA-N 1 0 394.475 3.462 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000015072250 210148356 /nfs/dbraw/zinc/14/83/56/210148356.db2.gz RIWJKPXXJGCEQZ-NRFANRHFSA-N 1 0 393.531 3.187 50 0 GGAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCNC(C)=O)c(C)o2)cc1 ZINC000015070872 210148176 /nfs/dbraw/zinc/14/81/76/210148176.db2.gz KYUZGBLMUOSRGN-LJQANCHMSA-N 1 0 399.491 3.317 50 0 GGAARO CN(Cc1noc(C2CCC2)n1)C(=O)NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426504421 530032017 /nfs/dbraw/zinc/03/20/17/530032017.db2.gz DNGKFJKEUCDNKZ-DOTOQJQBSA-N 1 0 375.517 3.133 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1ccccn1 ZINC000015064035 210146662 /nfs/dbraw/zinc/14/66/62/210146662.db2.gz YJJQXYCDSBYGIP-NRFANRHFSA-N 1 0 395.547 3.436 50 0 GGAARO Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)c(=O)[nH]1 ZINC000015065630 210146080 /nfs/dbraw/zinc/14/60/80/210146080.db2.gz BUQUHMKVNFMACB-QHCPKHFHSA-N 1 0 397.494 3.259 50 0 GGAARO OCC1CCN(c2ncc3c(n2)CCC[C@H]3[NH2+]C/C=C/c2ccccc2)CC1 ZINC000015064638 210146102 /nfs/dbraw/zinc/14/61/02/210146102.db2.gz NJVXADFBNDUZCC-WKOQKXSESA-N 1 0 378.520 3.366 50 0 GGAARO Cc1cc(C(=O)N2CCC([C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)nn1C ZINC000015063643 210145952 /nfs/dbraw/zinc/14/59/52/210145952.db2.gz COMPWFNEVAKDEJ-OAQYLSRUSA-N 1 0 380.536 3.145 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3nonc3c2)CC1)C1CCCC1 ZINC000015064839 210145744 /nfs/dbraw/zinc/14/57/44/210145744.db2.gz TZDYPTXAVXISRX-UHFFFAOYSA-N 1 0 394.479 3.385 50 0 GGAARO Cn1cc(CCNC(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)cn1 ZINC000015065269 210145798 /nfs/dbraw/zinc/14/57/98/210145798.db2.gz KJVLQHKMRYHLPL-UHFFFAOYSA-N 1 0 398.551 3.282 50 0 GGAARO CC[C@H]1CN(C(=O)c2ccc(NCc3cccc(C)n3)nc2)CC[N@@H+]1C(C)C ZINC000015063284 210145593 /nfs/dbraw/zinc/14/55/93/210145593.db2.gz ZKSPNKRKCZFACG-FQEVSTJZSA-N 1 0 381.524 3.342 50 0 GGAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1)NC[C@@H]1CCCO1 ZINC000015061959 210144535 /nfs/dbraw/zinc/14/45/35/210144535.db2.gz UESPARQIDSFYDN-NRFANRHFSA-N 1 0 396.535 3.364 50 0 GGAARO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000015063303 210144729 /nfs/dbraw/zinc/14/47/29/210144729.db2.gz KRQSFKZNHVUKEN-INIZCTEOSA-N 1 0 384.524 3.423 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](C/C=C/c3ccc(OC)cc3)C2)nn1 ZINC000015001765 210142873 /nfs/dbraw/zinc/14/28/73/210142873.db2.gz RWDBAAYCIQKIRL-FNQPIQQGSA-N 1 0 397.523 3.119 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)nn1 ZINC000014991831 210141632 /nfs/dbraw/zinc/14/16/32/210141632.db2.gz VAYYPHVITKDCQQ-MRXNPFEDSA-N 1 0 375.904 3.251 50 0 GGAARO C[C@@H](CNC(=O)c1ccco1)Oc1cccc(C[N@H+](C)C2CCN(C)CC2)c1 ZINC000014994579 210141372 /nfs/dbraw/zinc/14/13/72/210141372.db2.gz GQBIPCKZJKVBMV-KRWDZBQOSA-N 1 0 385.508 3.003 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1 ZINC000014990095 210141500 /nfs/dbraw/zinc/14/15/00/210141500.db2.gz WCAHMBFXLJGYSQ-OAQYLSRUSA-N 1 0 380.488 3.453 50 0 GGAARO O=C(c1cn(C[C@@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)nn1)N1CCCC1 ZINC000014986046 210141146 /nfs/dbraw/zinc/14/11/46/210141146.db2.gz NYTSYXCBQWHGSD-DXYSLGBVSA-N 1 0 397.567 3.051 50 0 GGAARO O=C(NC1CCCC1)c1cn([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)nn1 ZINC000014995497 210140987 /nfs/dbraw/zinc/14/09/87/210140987.db2.gz NIJVTORPUWNCKO-HXUWFJFHSA-N 1 0 381.524 3.220 50 0 GGAARO O=C(NC1CCCC1)c1cn([C@H]2CCC[N@H+](CCCc3ccccc3)C2)nn1 ZINC000014995499 210141098 /nfs/dbraw/zinc/14/10/98/210141098.db2.gz NIJVTORPUWNCKO-FQEVSTJZSA-N 1 0 381.524 3.220 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2cccc(F)c2)cc1 ZINC000014987966 210140581 /nfs/dbraw/zinc/14/05/81/210140581.db2.gz SKVGQCNDWCKTGR-OAQYLSRUSA-N 1 0 398.478 3.326 50 0 GGAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1ccc(F)cc1F)CCO2 ZINC000014992798 210140294 /nfs/dbraw/zinc/14/02/94/210140294.db2.gz CXABZHZSDLCGCZ-NRFANRHFSA-N 1 0 376.447 3.129 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccccc2)cc1 ZINC000014992355 210140079 /nfs/dbraw/zinc/14/00/79/210140079.db2.gz KUSOHYZHUIVFJM-OAQYLSRUSA-N 1 0 380.488 3.187 50 0 GGAARO COCCSc1nnc(C2CC[NH+](Cc3cccc4cccnc43)CC2)n1C ZINC000014991214 210140212 /nfs/dbraw/zinc/14/02/12/210140212.db2.gz FSFXBGAXBUJDNU-UHFFFAOYSA-N 1 0 397.548 3.481 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccccc2)cc1 ZINC000014992353 210139857 /nfs/dbraw/zinc/13/98/57/210139857.db2.gz KUSOHYZHUIVFJM-NRFANRHFSA-N 1 0 380.488 3.187 50 0 GGAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@H]2C(=O)NCc2ccco2)CC1 ZINC000014992738 210139920 /nfs/dbraw/zinc/13/99/20/210139920.db2.gz FWZBWJCNSBSXCV-INIZCTEOSA-N 1 0 384.505 3.216 50 0 GGAARO COC(=O)CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000014979019 210137880 /nfs/dbraw/zinc/13/78/80/210137880.db2.gz SEFKOBOWVPSWNN-QGZVFWFLSA-N 1 0 380.916 3.006 50 0 GGAARO CCc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)on1 ZINC000014980514 210137776 /nfs/dbraw/zinc/13/77/76/210137776.db2.gz XFTFMFAEXRMYJT-JOCHJYFZSA-N 1 0 383.492 3.374 50 0 GGAARO OCCOc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000014973684 210137060 /nfs/dbraw/zinc/13/70/60/210137060.db2.gz DEEPFZMBGYKOOX-KRWDZBQOSA-N 1 0 383.517 3.426 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000014964179 210136506 /nfs/dbraw/zinc/13/65/06/210136506.db2.gz HFPLCSQVYPXDEF-LJQANCHMSA-N 1 0 382.504 3.411 50 0 GGAARO CN(C(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014970676 210135969 /nfs/dbraw/zinc/13/59/69/210135969.db2.gz ZTDHTQQHXMATJY-HXUWFJFHSA-N 1 0 380.488 3.237 50 0 GGAARO CCC(CC)C[N@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014964441 210135943 /nfs/dbraw/zinc/13/59/43/210135943.db2.gz KJGZXABRJNHSAZ-SFHVURJKSA-N 1 0 397.567 3.382 50 0 GGAARO CC(C)[N@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000014972261 210135530 /nfs/dbraw/zinc/13/55/30/210135530.db2.gz WFJANOUADIASQB-UHFFFAOYSA-N 1 0 381.398 3.164 50 0 GGAARO COc1ccccc1/C=C/C[NH+]1CCC(CCC(=O)NC[C@@H]2CCCO2)CC1 ZINC000014964383 210135067 /nfs/dbraw/zinc/13/50/67/210135067.db2.gz RJBBHUGOISYZRJ-XBGMYJNYSA-N 1 0 386.536 3.496 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCc2ccon2)Cc2ccccc2C1 ZINC000014960741 210134398 /nfs/dbraw/zinc/13/43/98/210134398.db2.gz HAQIZYOCQBDEDH-UHFFFAOYSA-N 1 0 375.472 3.003 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccncc1 ZINC000014957256 210134440 /nfs/dbraw/zinc/13/44/40/210134440.db2.gz BMBZIPACEQANGM-UHFFFAOYSA-N 1 0 397.519 3.091 50 0 GGAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C34CC5CC(CC(C5)C3)C4)C2=O)c1 ZINC000014962451 210133888 /nfs/dbraw/zinc/13/38/88/210133888.db2.gz LXNCLJBMMLQZAS-LJEGRNIVSA-N 1 0 398.547 3.107 50 0 GGAARO O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000014960018 210133478 /nfs/dbraw/zinc/13/34/78/210133478.db2.gz ARDNHSJTPVZVLZ-UHFFFAOYSA-N 1 0 381.524 3.001 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCc1scnc1C ZINC000014958428 210133054 /nfs/dbraw/zinc/13/30/54/210133054.db2.gz VLWHXKOXNUVALG-UHFFFAOYSA-N 1 0 392.613 3.039 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@@H]2CCOC2)CC1 ZINC000014953685 210132625 /nfs/dbraw/zinc/13/26/25/210132625.db2.gz FJMIPBXAOPZVBO-OAQYLSRUSA-N 1 0 388.552 3.428 50 0 GGAARO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)n(C)n1 ZINC000014952865 210131513 /nfs/dbraw/zinc/13/15/13/210131513.db2.gz XBLWFDCOSHLLJE-NRFANRHFSA-N 1 0 388.462 3.135 50 0 GGAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cc1 ZINC000014947914 210131548 /nfs/dbraw/zinc/13/15/48/210131548.db2.gz QENYJLSZPGRROJ-FQEVSTJZSA-N 1 0 385.895 3.232 50 0 GGAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cc1 ZINC000014947917 210130624 /nfs/dbraw/zinc/13/06/24/210130624.db2.gz QENYJLSZPGRROJ-HXUWFJFHSA-N 1 0 385.895 3.232 50 0 GGAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cccnc3)n2CC1 ZINC000014881435 210129341 /nfs/dbraw/zinc/12/93/41/210129341.db2.gz XIVJTDGUMCLSBE-QPUGPGLDSA-N 1 0 396.539 3.015 50 0 GGAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1cc(C)no1)C2 ZINC000014748168 210127955 /nfs/dbraw/zinc/12/79/55/210127955.db2.gz FBQXMLMLINZIPD-QGZVFWFLSA-N 1 0 399.539 3.253 50 0 GGAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000014754684 210127546 /nfs/dbraw/zinc/12/75/46/210127546.db2.gz MIESCZUPBWGPGX-KRWDZBQOSA-N 1 0 384.524 3.405 50 0 GGAARO CCn1nc(C(=O)NC)c2c1CC[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000014747791 210126496 /nfs/dbraw/zinc/12/64/96/210126496.db2.gz PNLMGZXVEUUBAX-OAHLLOKOSA-N 1 0 395.532 3.033 50 0 GGAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]Cc1ccco1)CC2 ZINC000014754682 210126939 /nfs/dbraw/zinc/12/69/39/210126939.db2.gz MIESCZUPBWGPGX-QGZVFWFLSA-N 1 0 384.524 3.405 50 0 GGAARO CCC[N@H+](CC1CC1)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014745948 210126468 /nfs/dbraw/zinc/12/64/68/210126468.db2.gz FARWLUOPTGZMGV-MRXNPFEDSA-N 1 0 386.565 3.391 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC1CCCCC1)C2 ZINC000014745794 210126128 /nfs/dbraw/zinc/12/61/28/210126128.db2.gz VSJYFFCTIUXOOF-QGZVFWFLSA-N 1 0 390.597 3.119 50 0 GGAARO CC1CC[NH+]([C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)CC1 ZINC000014749628 210126057 /nfs/dbraw/zinc/12/60/57/210126057.db2.gz GEUKUGDMAJOWNT-IBGZPJMESA-N 1 0 380.536 3.222 50 0 GGAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014741232 210125759 /nfs/dbraw/zinc/12/57/59/210125759.db2.gz FKNQYINJNXIHLH-UHFFFAOYSA-N 1 0 393.487 3.066 50 0 GGAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014742348 210125416 /nfs/dbraw/zinc/12/54/16/210125416.db2.gz ILZJUYRVRZBCBG-UHFFFAOYSA-N 1 0 377.488 3.158 50 0 GGAARO Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 ZINC000014733321 210125607 /nfs/dbraw/zinc/12/56/07/210125607.db2.gz NUPWAKCPFZOFTP-SFHVURJKSA-N 1 0 392.503 3.182 50 0 GGAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014740758 210124682 /nfs/dbraw/zinc/12/46/82/210124682.db2.gz HVMDANUQMKQOJR-CQSZACIVSA-N 1 0 390.478 3.166 50 0 GGAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@H+](C)CCc1ccccc1)C2 ZINC000014744047 210124692 /nfs/dbraw/zinc/12/46/92/210124692.db2.gz DDMBFQHRFCVUHI-LJQANCHMSA-N 1 0 382.552 3.273 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014742410 210124730 /nfs/dbraw/zinc/12/47/30/210124730.db2.gz UQKBNRNBNYXRFW-IBGZPJMESA-N 1 0 392.547 3.143 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCCc1ccncc1)C2 ZINC000014732467 210124893 /nfs/dbraw/zinc/12/48/93/210124893.db2.gz OFJZVYJPFUHGQX-IBGZPJMESA-N 1 0 395.551 3.004 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000014542571 210121583 /nfs/dbraw/zinc/12/15/83/210121583.db2.gz OKLLFKYTMNIYCL-INIZCTEOSA-N 1 0 386.565 3.187 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014542304 210121417 /nfs/dbraw/zinc/12/14/17/210121417.db2.gz IJLKWOWZYRZFOF-QGZVFWFLSA-N 1 0 384.499 3.223 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]C1CCCCCC1)CC2 ZINC000014535854 210120186 /nfs/dbraw/zinc/12/01/86/210120186.db2.gz ZXPUEQLZAQRSMC-KRWDZBQOSA-N 1 0 384.524 3.455 50 0 GGAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014537405 210119923 /nfs/dbraw/zinc/11/99/23/210119923.db2.gz KYWPNKONRGPTMY-UHFFFAOYSA-N 1 0 383.536 3.317 50 0 GGAARO Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000014536835 210118427 /nfs/dbraw/zinc/11/84/27/210118427.db2.gz UMOGYTQTUKLXQR-IBGZPJMESA-N 1 0 380.536 3.172 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH+]1CCCCCCC1)CC2 ZINC000014533641 210119253 /nfs/dbraw/zinc/11/92/53/210119253.db2.gz KUHZTCRYROHVDE-QGZVFWFLSA-N 1 0 384.524 3.409 50 0 GGAARO COc1cc(CO[C@H]2CN(C(C)C)C(=O)C[N@@H+](C3CCCC3)C2)cc(OC)c1 ZINC000014538724 210118959 /nfs/dbraw/zinc/11/89/59/210118959.db2.gz YZXVIMWZSQEGMO-OAQYLSRUSA-N 1 0 390.524 3.084 50 0 GGAARO COc1ccc(/C=C/C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1 ZINC000014538877 210118991 /nfs/dbraw/zinc/11/89/91/210118991.db2.gz VCLHIPDCFZNZQT-AATRIKPKSA-N 1 0 385.508 3.093 50 0 GGAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccsc4)CC3)C2=O)cc1 ZINC000014537475 210118720 /nfs/dbraw/zinc/11/87/20/210118720.db2.gz MSWIDJJESABPCS-UHFFFAOYSA-N 1 0 399.516 3.186 50 0 GGAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([NH+]1CCC(C)CC1)CC2 ZINC000014533651 210118896 /nfs/dbraw/zinc/11/88/96/210118896.db2.gz ITXVRBJAPABYGV-IBGZPJMESA-N 1 0 380.536 3.075 50 0 GGAARO Cc1c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013680290 210077785 /nfs/dbraw/zinc/07/77/85/210077785.db2.gz WMMVUVXSLPEUBA-UHFFFAOYSA-N 1 0 390.487 3.333 50 0 GGAARO Cn1c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2n(C)c1=O ZINC000013681212 210077699 /nfs/dbraw/zinc/07/76/99/210077699.db2.gz BMCFNRPOUAVGKQ-UHFFFAOYSA-N 1 0 378.476 3.115 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000013628997 210074770 /nfs/dbraw/zinc/07/47/70/210074770.db2.gz JJCHQAPLCJPYDR-AWEZNQCLSA-N 1 0 395.459 3.134 50 0 GGAARO CC[NH+]1CCN(c2ccc3nnc(-c4ccc(Cl)cc4Cl)n3n2)CC1 ZINC000013628743 210072550 /nfs/dbraw/zinc/07/25/50/210072550.db2.gz PGUUSEIBGCIHQH-UHFFFAOYSA-N 1 0 377.279 3.240 50 0 GGAARO Cc1nn(C)cc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCC[N@H+]13 ZINC000013594603 210070998 /nfs/dbraw/zinc/07/09/98/210070998.db2.gz MVTBIIMETJCNFH-LRQRDZAKSA-N 1 0 384.911 3.320 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1OC ZINC000013594522 210070040 /nfs/dbraw/zinc/07/00/40/210070040.db2.gz ZHZTVLFLFPJEME-MRXNPFEDSA-N 1 0 386.467 3.485 50 0 GGAARO CCCc1c(O)nc(SCC[NH+](CC)CC)n(C(=O)c2ccccc2)c1=O ZINC000013154439 210053087 /nfs/dbraw/zinc/05/30/87/210053087.db2.gz BHXJBTNTIYADIH-UHFFFAOYSA-N 1 0 389.521 3.024 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Cc1ccccc1F ZINC000012756547 210003943 /nfs/dbraw/zinc/00/39/43/210003943.db2.gz ZDVWKXCLFXCSCJ-UHFFFAOYSA-N 1 0 375.532 3.023 50 0 GGAARO COC(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000012756105 210003671 /nfs/dbraw/zinc/00/36/71/210003671.db2.gz YBGRPHQBLXLHDN-OAQYLSRUSA-N 1 0 380.488 3.300 50 0 GGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+]1C1CSCCSC1 ZINC000012756541 210003779 /nfs/dbraw/zinc/00/37/79/210003779.db2.gz WVFQREVGQLWKNB-GOSISDBHSA-N 1 0 388.562 3.124 50 0 GGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C1 ZINC000012760272 210002840 /nfs/dbraw/zinc/00/28/40/210002840.db2.gz LVOLGMMGQAGPDZ-ZDUSSCGKSA-N 1 0 379.407 3.088 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000012761998 210002718 /nfs/dbraw/zinc/00/27/18/210002718.db2.gz GKACJCHHYVWVIM-JOCHJYFZSA-N 1 0 394.515 3.434 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1cn[nH]c1 ZINC000012746291 209999406 /nfs/dbraw/zinc/99/94/06/209999406.db2.gz GQTLOGNNMYRAAJ-IBGZPJMESA-N 1 0 388.943 3.409 50 0 GGAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc3ncccn3n2)C1 ZINC000012710856 209994644 /nfs/dbraw/zinc/99/46/44/209994644.db2.gz LXKQJJIFYAUYQP-LJQANCHMSA-N 1 0 391.519 3.064 50 0 GGAARO CCOC(=O)C1(CCOC)CC[NH+](C[C@@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000012725570 209997240 /nfs/dbraw/zinc/99/72/40/209997240.db2.gz SJJSQKIULBTVIE-KRWDZBQOSA-N 1 0 391.508 3.276 50 0 GGAARO COc1ccc(/C=C/CN2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)cc1 ZINC000012710147 209994958 /nfs/dbraw/zinc/99/49/58/209994958.db2.gz OTYCIWRYBLJHOE-NSCUHMNNSA-N 1 0 397.563 3.163 50 0 GGAARO COC(=O)CNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012594985 209983339 /nfs/dbraw/zinc/98/33/39/209983339.db2.gz DMGJDOPQXSGZCS-UHFFFAOYSA-N 1 0 396.915 3.132 50 0 GGAARO COCCNC(=O)CCC1CC[NH+]([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000012373576 209944414 /nfs/dbraw/zinc/94/44/14/209944414.db2.gz UVLPASZKBYOJBV-SFHVURJKSA-N 1 0 376.541 3.271 50 0 GGAARO CC1(C)C[C@@H](N2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)CCO1 ZINC000012338061 209942867 /nfs/dbraw/zinc/94/28/67/209942867.db2.gz CGVJSBJYFNZSMH-MSOLQXFVSA-N 1 0 378.488 3.133 50 0 GGAARO C[N@@H+]1CCC[C@@H](COc2cccc(CN(C(=O)c3cnsn3)C3CC3)c2)C1 ZINC000012282841 209928812 /nfs/dbraw/zinc/92/88/12/209928812.db2.gz HAFARXLVASVHDE-MRXNPFEDSA-N 1 0 386.521 3.064 50 0 GGAARO CCCCN(C)C(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000012199203 209919455 /nfs/dbraw/zinc/91/94/55/209919455.db2.gz XGAHRWAKALMVMG-UHFFFAOYSA-N 1 0 386.584 3.325 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000012196130 209919602 /nfs/dbraw/zinc/91/96/02/209919602.db2.gz ZQLXRZFHOGKAFT-OAHLLOKOSA-N 1 0 391.265 3.211 50 0 GGAARO O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CC[NH+](C[C@H]3CC=CCC3)CC2)N1 ZINC000011982105 209898060 /nfs/dbraw/zinc/89/80/60/209898060.db2.gz WFVMLYSFDBCSOQ-KSFYIVLOSA-N 1 0 385.483 3.015 50 0 GGAARO O=C1NC(=O)[C@](Cc2ccccc2F)(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)N1 ZINC000011982108 209897735 /nfs/dbraw/zinc/89/77/35/209897735.db2.gz WFVMLYSFDBCSOQ-ZHRRBRCNSA-N 1 0 385.483 3.015 50 0 GGAARO COc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)c1 ZINC000012000686 209896916 /nfs/dbraw/zinc/89/69/16/209896916.db2.gz WPFXKTNYHUQXNY-IBGZPJMESA-N 1 0 386.467 3.384 50 0 GGAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000011769918 209883203 /nfs/dbraw/zinc/88/32/03/209883203.db2.gz ZMVSZUOCFNTXLW-QGZVFWFLSA-N 1 0 376.522 3.394 50 0 GGAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cccc(O)c3)C[C@H]21 ZINC000010214559 209855361 /nfs/dbraw/zinc/85/53/61/209855361.db2.gz WZOPUOAQPQAWBO-LJQANCHMSA-N 1 0 379.460 3.366 50 0 GGAARO Cc1ccccc1N1C[C@@](O)(c2ccc3c(c2)OCCO3)[N+]2=C1CCCCC2 ZINC000002974638 209403059 /nfs/dbraw/zinc/40/30/59/209403059.db2.gz ACGMYYJJMCSCGE-HSZRJFAPSA-N 1 0 379.480 3.417 50 0 GGAARO COc1ccc(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCCC3)cc1 ZINC000002974597 209403080 /nfs/dbraw/zinc/40/30/80/209403080.db2.gz YNSRJJWPQTVVPT-QHCPKHFHSA-N 1 0 397.495 3.363 50 0 GGAARO CC[NH+]1CCC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC1 ZINC000002782556 209385419 /nfs/dbraw/zinc/38/54/19/209385419.db2.gz CZYKQDMFKKJYDE-UHFFFAOYSA-N 1 0 378.826 3.033 50 0 GGAARO C[NH+]1CCC(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)CC1 ZINC000002781711 209385152 /nfs/dbraw/zinc/38/51/52/209385152.db2.gz QOXLJQATXNQSRZ-UHFFFAOYSA-N 1 0 386.345 3.239 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH+]3CCC(C)CC3)cc21 ZINC000002852622 209391054 /nfs/dbraw/zinc/39/10/54/209391054.db2.gz NCNIMMCOJSVWBM-QGZVFWFLSA-N 1 0 388.508 3.135 50 0 GGAARO Cc1cc(OCn2ccc(C(=O)NC3CC[NH+](C)CC3)n2)cc(C)c1Cl ZINC000002799903 209386200 /nfs/dbraw/zinc/38/62/00/209386200.db2.gz JQIBOMSFVDDTTF-UHFFFAOYSA-N 1 0 376.888 3.014 50 0 GGAARO [NH3+]CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000002560261 209369576 /nfs/dbraw/zinc/36/95/76/209369576.db2.gz APYXQTXFRIDSGE-UHFFFAOYSA-N 1 0 384.439 3.039 50 0 in-vivo GGAARO C[NH+](C)CCNC(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000002750260 209382359 /nfs/dbraw/zinc/38/23/59/209382359.db2.gz RGXLQTXVGWVIDF-UHFFFAOYSA-N 1 0 377.282 3.320 50 0 GGAARO CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000002678708 209376260 /nfs/dbraw/zinc/37/62/60/209376260.db2.gz GOYFGFLJLCKKJR-PGMHBOJBSA-N 1 0 379.504 3.259 50 0 GGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002444801 209363448 /nfs/dbraw/zinc/36/34/48/209363448.db2.gz XTUNKDLDEWYXCI-OKILXGFUSA-N 1 0 387.480 3.270 50 0 GGAARO CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107846 209363032 /nfs/dbraw/zinc/36/30/32/209363032.db2.gz RKBQDLCMQFHCOX-FXAWDEMLSA-N 1 0 381.524 3.075 50 0 biogenic GGAARO CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002398439 209361127 /nfs/dbraw/zinc/36/11/27/209361127.db2.gz RBKWAZRGYYEFGF-HXUWFJFHSA-N 1 0 392.455 3.299 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000002375590 209359666 /nfs/dbraw/zinc/35/96/66/209359666.db2.gz GQOUQWHSMXZQPR-CQSZACIVSA-N 1 0 387.480 3.412 50 0 GGAARO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCC2)n3C)cc1 ZINC000002348473 209359068 /nfs/dbraw/zinc/35/90/68/209359068.db2.gz PKYKCYYZFHBZPM-UHFFFAOYSA-N 1 0 384.505 3.278 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002309532 209356260 /nfs/dbraw/zinc/35/62/60/209356260.db2.gz SGSYFSNGQKULKE-BETUJISGSA-N 1 0 375.444 3.400 50 0 GGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000002219154 209351663 /nfs/dbraw/zinc/35/16/63/209351663.db2.gz QBBCGWIJFXEQCU-UHFFFAOYSA-N 1 0 393.443 3.224 50 0 GGAARO O=C1C[C@@H]([NH2+]CCCc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000002214283 209350271 /nfs/dbraw/zinc/35/02/71/209350271.db2.gz DSJKTZMZUJHIPC-QGZVFWFLSA-N 1 0 387.277 3.303 50 0 GGAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002198840 209349798 /nfs/dbraw/zinc/34/97/98/209349798.db2.gz YTHLYXPBUCXYRK-KBPBESRZSA-N 1 0 387.480 3.270 50 0 GGAARO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035093031 209343684 /nfs/dbraw/zinc/34/36/84/209343684.db2.gz AHDCFDWLNFOWQI-LZQZEXGQSA-N 1 0 386.458 3.394 50 0 GGAARO C[C@@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035093036 209343046 /nfs/dbraw/zinc/34/30/46/209343046.db2.gz AHDCFDWLNFOWQI-ATZDWAIDSA-N 1 0 386.458 3.394 50 0 GGAARO O[C@]1(c2ccc(OC(F)F)cc2)CN2CCCSC2=[N+]1c1ccccc1 ZINC000001779566 209339231 /nfs/dbraw/zinc/33/92/31/209339231.db2.gz QHTJHGJGXUXZCX-IBGZPJMESA-N 1 0 377.436 3.459 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccnc1)N(CC[NH+](C)C)C3=O ZINC000010233053 209322607 /nfs/dbraw/zinc/32/26/07/209322607.db2.gz OTCTVWMZISKMRW-GOSISDBHSA-N 1 0 397.862 3.257 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2cccc(C)c2)c1=N ZINC000001242629 209317928 /nfs/dbraw/zinc/31/79/28/209317928.db2.gz IJGSXXQMYBXCHB-LJQANCHMSA-N 1 0 396.535 3.012 50 0 GGAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)[NH+](C)C)cc1 ZINC000010331966 209331079 /nfs/dbraw/zinc/33/10/79/209331079.db2.gz ZRVSFTKLCNYVET-OAQYLSRUSA-N 1 0 390.487 3.209 50 0 GGAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc32)[NH+](C)C)cc1 ZINC000010331972 209330854 /nfs/dbraw/zinc/33/08/54/209330854.db2.gz ZRVSFTKLCNYVET-NRFANRHFSA-N 1 0 390.487 3.209 50 0 GGAARO CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000001163288 209308421 /nfs/dbraw/zinc/30/84/21/209308421.db2.gz UXOKYRMKTXJZEN-FMNVXAMXSA-N 1 0 399.472 3.477 50 0 GGAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000001138896 209305509 /nfs/dbraw/zinc/30/55/09/209305509.db2.gz JSUQVYDWIXSULI-UHFFFAOYSA-N 1 0 385.533 3.184 50 0 GGAARO O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000001071496 209296922 /nfs/dbraw/zinc/29/69/22/209296922.db2.gz CKIWXLCALMDKEA-HNNXBMFYSA-N 1 0 397.429 3.254 50 0 GGAARO O=C1[C@H]2[C@@H](C(=O)N1CC[NH+]1CCCCC1)C1c3ccccc3C2c2ccccc21 ZINC000000988072 209286116 /nfs/dbraw/zinc/28/61/16/209286116.db2.gz SYTOQWJOLCMWER-MYNGYRLFSA-N 1 0 386.495 3.365 50 0 GGAARO O=C(c1ccc(F)cc1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000872228 209274521 /nfs/dbraw/zinc/27/45/21/209274521.db2.gz VCHIVHHHGYXFHJ-UHFFFAOYSA-N 1 0 381.495 3.248 50 0 GGAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000000789795 209264812 /nfs/dbraw/zinc/26/48/12/209264812.db2.gz SOUYMHZMGBQLRO-FPOVZHCZSA-N 1 0 380.488 3.446 50 0 GGAARO COc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000000783048 209265355 /nfs/dbraw/zinc/26/53/55/209265355.db2.gz FRMFDAOHDIRWBV-RDJZCZTQSA-N 1 0 376.497 3.049 50 0 GGAARO O[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019801790 209234334 /nfs/dbraw/zinc/23/43/34/209234334.db2.gz GWEAYNAKNNEYOS-IBGZPJMESA-N 1 0 375.310 3.300 50 0 GGAARO Cc1ccc2c(CN3CC[NH+](CCc4ccncc4)CC3)cc(=O)oc2c1C ZINC000020735334 209233983 /nfs/dbraw/zinc/23/39/83/209233983.db2.gz IFFYRBYJOGVPNU-UHFFFAOYSA-N 1 0 377.488 3.165 50 0 GGAARO COc1cccc(-c2cc3n(n2)[C@@H]([NH2+]C[C@H](C)c2ccccc2)CNC3=O)c1 ZINC000263617191 209226117 /nfs/dbraw/zinc/22/61/17/209226117.db2.gz MOQNHOULTBHYNQ-YCRPNKLZSA-N 1 0 376.460 3.194 50 0 GGAARO COc1ccc(-c2cc3n(n2)[C@@H]([NH2+]CCCc2ccccc2)CNC3=O)cc1 ZINC000263616252 209225838 /nfs/dbraw/zinc/22/58/38/209225838.db2.gz HTMDENPGTNJXSP-OAQYLSRUSA-N 1 0 376.460 3.023 50 0 GGAARO O=C(c1n[nH]c2c1CCCC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198553 209223704 /nfs/dbraw/zinc/22/37/04/209223704.db2.gz CGANOTBXBPNKDF-KAULMNLWSA-N 1 0 380.536 3.324 50 0 GGAARO CC(=O)Nc1cccc2c1ccn2CC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253413956 209218924 /nfs/dbraw/zinc/21/89/24/209218924.db2.gz WCFJJGVFFMTTAN-GHTZIAJQSA-N 1 0 396.535 3.323 50 0 biogenic GGAARO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253394330 209216714 /nfs/dbraw/zinc/21/67/14/209216714.db2.gz ABVXSWSZNVSTLG-FXAWDEMLSA-N 1 0 384.499 3.447 50 0 biogenic GGAARO 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 209215673 /nfs/dbraw/zinc/21/56/73/209215673.db2.gz GYOGHROCTSEKDY-QGFPVIAKSA-N 1 0 375.509 3.015 50 0 biogenic GGAARO 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 209214628 /nfs/dbraw/zinc/21/46/28/209214628.db2.gz GYOGHROCTSEKDY-CXZFIUSZSA-N 1 0 375.509 3.015 50 0 biogenic GGAARO C[NH+](C)Cc1ccccc1CNC(=O)c1nnn(-c2ccccc2)c1C1CC1 ZINC000058225658 209212520 /nfs/dbraw/zinc/21/25/20/209212520.db2.gz ZTTUXDZHBCOCBP-UHFFFAOYSA-N 1 0 375.476 3.136 50 0 GGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3C[C@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000100237942 212066841 /nfs/dbraw/zinc/06/68/41/212066841.db2.gz LREAQPNCHAYYIL-QWFCFKBJSA-N 1 0 398.503 3.397 50 0 GGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000100237938 212066343 /nfs/dbraw/zinc/06/63/43/212066343.db2.gz LREAQPNCHAYYIL-WSTZPKSXSA-N 1 0 398.503 3.397 50 0 GGAARO COc1ccc(CCn2nnnc2C2([NH+]3CCCCC3)CCCC2)cc1OC ZINC000004475833 212065655 /nfs/dbraw/zinc/06/56/55/212065655.db2.gz OVICBHBIWLFMRP-UHFFFAOYSA-N 1 0 385.512 3.188 50 0 GGAARO O[C@@H](Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)C3)s2)n1)c1ccccc1 ZINC000082039603 212060174 /nfs/dbraw/zinc/06/01/74/212060174.db2.gz XEFJRKMMYYJSPW-XLIONFOSSA-N 1 0 383.517 3.302 50 0 GGAARO O=C1C[C@@H](C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)CN1c1ccccc1 ZINC000299801629 212041780 /nfs/dbraw/zinc/04/17/80/212041780.db2.gz ZRWQIIRSERBWPF-SFHVURJKSA-N 1 0 393.535 3.237 50 0 GGAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H]2OCCc3ccccc32)cc1 ZINC000299801158 212041719 /nfs/dbraw/zinc/04/17/19/212041719.db2.gz YUVKXCIDEFRFTL-OFNKIYASSA-N 1 0 394.515 3.480 50 0 GGAARO COc1ccc(/C=C/CN2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1 ZINC000299788664 212038379 /nfs/dbraw/zinc/03/83/79/212038379.db2.gz WDGOVDRINLHFSG-ZFTMLNQLSA-N 1 0 396.531 3.372 50 0 GGAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cc4cccc(C)c4n3C)cc2C1 ZINC000299782478 212037469 /nfs/dbraw/zinc/03/74/69/212037469.db2.gz MPDRCMSTUJLSQQ-UHFFFAOYSA-N 1 0 379.508 3.229 50 0 GGAARO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C2CC2)C4)cc1 ZINC000299787146 212037507 /nfs/dbraw/zinc/03/75/07/212037507.db2.gz OZPKGIOUIQXTCV-INIZCTEOSA-N 1 0 395.528 3.319 50 0 GGAARO CCc1c(C(=O)NC[C@H]2CCC[N@H+]2CC)c(=O)cc(C)n1Cc1cccs1 ZINC000299797600 212039598 /nfs/dbraw/zinc/03/95/98/212039598.db2.gz RVYJJRHTHUINMI-MRXNPFEDSA-N 1 0 387.549 3.043 50 0 GGAARO C[C@@H](CNC(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000299791343 212039646 /nfs/dbraw/zinc/03/96/46/212039646.db2.gz DCYRBLLYKXPRJQ-NSHDSACASA-N 1 0 378.826 3.116 50 0 GGAARO C[NH+](C)CCOc1cccc(CN(Cc2ccccn2)C(=O)c2ccoc2)c1 ZINC000299796666 212039032 /nfs/dbraw/zinc/03/90/32/212039032.db2.gz PFPIOIVOHLNEQP-UHFFFAOYSA-N 1 0 379.460 3.458 50 0 GGAARO Cn1nc(-c2ccccc2)cc1NC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000299770218 212035213 /nfs/dbraw/zinc/03/52/13/212035213.db2.gz NZPJDHGPZOZOMI-UHFFFAOYSA-N 1 0 385.537 3.132 50 0 GGAARO O=C(Cc1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1)N1CCCC1 ZINC000299771451 212034752 /nfs/dbraw/zinc/03/47/52/212034752.db2.gz XKIRWLDKQLMVCT-UHFFFAOYSA-N 1 0 392.547 3.048 50 0 GGAARO COc1ccc(NC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000299774140 212034878 /nfs/dbraw/zinc/03/48/78/212034878.db2.gz BAUXWBSSTLQOLN-INIZCTEOSA-N 1 0 381.904 3.457 50 0 GGAARO O=C(CC[NH+]1CCCCCCC1)NCc1noc(-c2c(F)cccc2F)n1 ZINC000299775106 212034518 /nfs/dbraw/zinc/03/45/18/212034518.db2.gz GXQNFKUHHYXVHM-UHFFFAOYSA-N 1 0 378.423 3.287 50 0 GGAARO COc1ccc(Oc2ccc(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3OC)cc2)cc1 ZINC000299786130 212037069 /nfs/dbraw/zinc/03/70/69/212037069.db2.gz RHYORDVRBWHSCA-SFTDATJTSA-N 1 0 384.476 3.325 50 0 GGAARO O=C(c1cccc(-c2ccc(F)cc2)c1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000299786383 212036276 /nfs/dbraw/zinc/03/62/76/212036276.db2.gz XADNEGCQEZFJGK-QFIPXVFZSA-N 1 0 382.479 3.412 50 0 GGAARO O=C(c1cnc2c(c1)CCCC2)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000299783645 212036347 /nfs/dbraw/zinc/03/63/47/212036347.db2.gz XHQYTSZWYBJMRF-UHFFFAOYSA-N 1 0 375.516 3.276 50 0 GGAARO C[C@@H](CCNC(=O)c1ccc(-c2ccc(F)cc2F)cc1)[NH+]1CCN(C)CC1 ZINC000299770593 212035756 /nfs/dbraw/zinc/03/57/56/212035756.db2.gz SWVUDDFDVOVBFF-INIZCTEOSA-N 1 0 387.474 3.388 50 0 GGAARO Cc1cc(C(=O)N(Cc2cccc(OCC[C@H]3CCC[N@@H+]3C)c2)C2CC2)n(C)n1 ZINC000299769975 212035791 /nfs/dbraw/zinc/03/57/91/212035791.db2.gz YNAFUDWUGKARSI-LJQANCHMSA-N 1 0 396.535 3.396 50 0 GGAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC000299756157 212030899 /nfs/dbraw/zinc/03/08/99/212030899.db2.gz IDBMWLNJBVPJDP-OAHLLOKOSA-N 1 0 377.432 3.219 50 0 GGAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000299767609 212033288 /nfs/dbraw/zinc/03/32/88/212033288.db2.gz HZIPTHZXYROKFW-QFIPXVFZSA-N 1 0 398.478 3.097 50 0 GGAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1Cc1ccccc1 ZINC000299768117 212032924 /nfs/dbraw/zinc/03/29/24/212032924.db2.gz HRCJZYXPNDVCJR-XHFZOIRSSA-N 1 0 381.564 3.180 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)COC2=O ZINC000299759135 212031727 /nfs/dbraw/zinc/03/17/27/212031727.db2.gz OVKYERJVHKDFSE-KRWDZBQOSA-N 1 0 379.460 3.391 50 0 GGAARO Cc1cc(C)n(CC(C)C)c(=O)c1C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000334161047 209177481 /nfs/dbraw/zinc/17/74/81/209177481.db2.gz RRPSXJLTWPAJPX-PMACEKPBSA-N 1 0 387.568 3.458 50 0 GGAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCn2cccn2)Cc2ccccc2C1 ZINC000023340607 209174805 /nfs/dbraw/zinc/17/48/05/209174805.db2.gz PDNFLQWHWJLEKU-UHFFFAOYSA-N 1 0 388.515 3.059 50 0 GGAARO CCn1c(CN(C)Cc2csc(-c3cccs3)n2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252550402 211987361 /nfs/dbraw/zinc/98/73/61/211987361.db2.gz SNMOLRSDJHVUKL-JOCQHMNTSA-N 1 0 388.566 3.320 50 0 GGAARO CCCOc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127624 211786464 /nfs/dbraw/zinc/78/64/64/211786464.db2.gz OFPWTZYGSJZLQG-UHFFFAOYSA-N 1 0 380.554 3.408 50 0 GGAARO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031362 211750199 /nfs/dbraw/zinc/75/01/99/211750199.db2.gz FPRPXNFJLALCJU-JXFKEZNVSA-N 1 0 386.540 3.489 50 0 GGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000013355792 211697756 /nfs/dbraw/zinc/69/77/56/211697756.db2.gz WENPKQJLHILFBD-UHFFFAOYSA-N 1 0 395.894 3.315 50 0 GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)no1 ZINC000012229560 211680956 /nfs/dbraw/zinc/68/09/56/211680956.db2.gz IJCIAYKVEPJSEY-UHFFFAOYSA-N 1 0 380.420 3.469 50 0 GGAARO Cn1cccc1[C@H](CNC(=O)c1cc2ccccc2oc1=O)[NH+]1CCCCCC1 ZINC000011846293 211676220 /nfs/dbraw/zinc/67/62/20/211676220.db2.gz SZYQGSUHIAWPIO-FQEVSTJZSA-N 1 0 393.487 3.479 50 0 GGAARO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101361527 211399085 /nfs/dbraw/zinc/39/90/85/211399085.db2.gz KNTFZHAJXHACOQ-YSFYHYPLSA-N 1 0 386.451 3.408 50 0 GGAARO CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000100150314 211384856 /nfs/dbraw/zinc/38/48/56/211384856.db2.gz ALITXXRUOKOALF-NRFANRHFSA-N 1 0 399.535 3.058 50 0 GGAARO Cc1cc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)no1 ZINC000100188369 211384700 /nfs/dbraw/zinc/38/47/00/211384700.db2.gz MAAFYGBTMCQWFS-OAHLLOKOSA-N 1 0 396.472 3.104 50 0 GGAARO COc1cccc(NC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000100209961 211383958 /nfs/dbraw/zinc/38/39/58/211383958.db2.gz JOHLXPNVCDIAOK-HXUWFJFHSA-N 1 0 397.450 3.043 50 0 GGAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1-c1nc[nH]n1 ZINC000097137763 211360998 /nfs/dbraw/zinc/36/09/98/211360998.db2.gz ZPEZITGNVVDIDQ-UHFFFAOYSA-N 1 0 379.439 3.005 50 0 GGAARO CC(=O)Nc1cccc(NC(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000097813637 211373872 /nfs/dbraw/zinc/37/38/72/211373872.db2.gz KTXHKMUVXIDFNZ-UHFFFAOYSA-N 1 0 382.464 3.137 50 0 GGAARO Cc1nc(-c2cccnc2)ncc1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000097730207 211371358 /nfs/dbraw/zinc/37/13/58/211371358.db2.gz YOXDTLMTZSQWMG-HXUWFJFHSA-N 1 0 387.487 3.066 50 0 GGAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000097773252 211371058 /nfs/dbraw/zinc/37/10/58/211371058.db2.gz XQNINRFFLSSRIY-FQEVSTJZSA-N 1 0 376.504 3.319 50 0 GGAARO Cc1cc(C(N)=O)ccc1NC(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000097757795 211370921 /nfs/dbraw/zinc/37/09/21/211370921.db2.gz WWCHHXDVRALUIP-UHFFFAOYSA-N 1 0 380.492 3.095 50 0 GGAARO CNC(=O)CCc1ccccc1NC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000097729522 211370172 /nfs/dbraw/zinc/37/01/72/211370172.db2.gz PEKWEOCPRLHSDA-UHFFFAOYSA-N 1 0 386.540 3.238 50 0 GGAARO CC(=O)Nc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000097635088 211369004 /nfs/dbraw/zinc/36/90/04/211369004.db2.gz KUPDIHPJQCJUHZ-QGZVFWFLSA-N 1 0 384.455 3.395 50 0 GGAARO Cc1cccc([C@@H](CNC(=O)Nc2ccccc2CC(=O)N(C)C)[NH+](C)C)c1 ZINC000097528054 211366826 /nfs/dbraw/zinc/36/68/26/211366826.db2.gz OHLUMMYWMOPXJM-HXUWFJFHSA-N 1 0 382.508 3.050 50 0 GGAARO Nc1nc(CCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000097601042 211366415 /nfs/dbraw/zinc/36/64/15/211366415.db2.gz ZAUYTNZYHVIJNQ-UHFFFAOYSA-N 1 0 378.929 3.092 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)C4CCC4)C[C@H]3CO)CC2)s1 ZINC000097499643 211366013 /nfs/dbraw/zinc/36/60/13/211366013.db2.gz PAARWXLOULNVBN-SFHVURJKSA-N 1 0 376.566 3.280 50 0 GGAARO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)c2ccccc2n1 ZINC000097394065 211365268 /nfs/dbraw/zinc/36/52/68/211365268.db2.gz PQLRPUMYVBASLT-GOSISDBHSA-N 1 0 375.472 3.463 50 0 GGAARO Cc1cc(C)c(NC(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c(Cl)c1 ZINC000097394493 211364018 /nfs/dbraw/zinc/36/40/18/211364018.db2.gz PWYXAEYQDXJRFR-QGZVFWFLSA-N 1 0 378.948 3.448 50 0 GGAARO CCc1nccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC=C(C)C)n1 ZINC000097346822 211363175 /nfs/dbraw/zinc/36/31/75/211363175.db2.gz PUCQNJOEUCQWRP-UHFFFAOYSA-N 1 0 380.540 3.078 50 0 GGAARO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1-c1ncc[nH]1 ZINC000097307492 211362621 /nfs/dbraw/zinc/36/26/21/211362621.db2.gz DVZBABPNCAZQRP-HXUWFJFHSA-N 1 0 375.476 3.429 50 0 GGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(-c2ccccc2F)n[nH]1 ZINC000097294582 211362297 /nfs/dbraw/zinc/36/22/97/211362297.db2.gz WWXWBZUGEDBZHW-OAHLLOKOSA-N 1 0 378.451 3.392 50 0 GGAARO Cc1cccn2c(CC(=O)NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)cnc12 ZINC000097288772 211361969 /nfs/dbraw/zinc/36/19/69/211361969.db2.gz YVIMFLKOHWMNOJ-FQEVSTJZSA-N 1 0 376.504 3.181 50 0 GGAARO OCC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000096838928 211348023 /nfs/dbraw/zinc/34/80/23/211348023.db2.gz UWCGTXORFOLUAH-QHCPKHFHSA-N 1 0 394.494 3.080 50 0 GGAARO CN1CCC[N@H+](C)CC12CCN(C(=O)Nc1cc(F)cc(F)c1Cl)CC2 ZINC000097137157 211358063 /nfs/dbraw/zinc/35/80/63/211358063.db2.gz WIXHRPBOMALCTL-UHFFFAOYSA-N 1 0 386.874 3.252 50 0 GGAARO O=c1cc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc2o1 ZINC000096316559 211333832 /nfs/dbraw/zinc/33/38/32/211333832.db2.gz ATGOQEFDYDBRHX-UHFFFAOYSA-N 1 0 377.488 3.413 50 0 GGAARO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000096343824 211336886 /nfs/dbraw/zinc/33/68/86/211336886.db2.gz MATIZKUBXGKERV-WIYYLYMNSA-N 1 0 396.535 3.317 50 0 GGAARO Cc1c(NC(=O)N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cccc1N1CCCC1 ZINC000096165529 211316740 /nfs/dbraw/zinc/31/67/40/211316740.db2.gz JXEHFOJDMDWBBM-SFTDATJTSA-N 1 0 386.540 3.048 50 0 GGAARO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000096166491 211316586 /nfs/dbraw/zinc/31/65/86/211316586.db2.gz NHWDYVVFLBENGC-CQSZACIVSA-N 1 0 389.393 3.155 50 0 GGAARO Cc1cnn(C2CCCC2)c1NC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000096164218 211316011 /nfs/dbraw/zinc/31/60/11/211316011.db2.gz UJQVDPPXUKFVAU-UHFFFAOYSA-N 1 0 382.512 3.488 50 0 GGAARO C[N@H+](Cc1ccccc1NC(=O)NCCc1cc(=O)[nH]cn1)C1CCCCC1 ZINC000096179583 211315830 /nfs/dbraw/zinc/31/58/30/211315830.db2.gz GWTXSEYWJGGHTK-UHFFFAOYSA-N 1 0 383.496 3.311 50 0 GGAARO CCOC(=O)c1cc(NC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1Cl ZINC000096165535 211315478 /nfs/dbraw/zinc/31/54/78/211315478.db2.gz FBOBPCZCOIFEAP-LJQANCHMSA-N 1 0 379.888 3.466 50 0 GGAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1c(Cl)n(C)nc1CC)CC2 ZINC000096160213 211314595 /nfs/dbraw/zinc/31/45/95/211314595.db2.gz SQRKDYLMWMOLQN-UHFFFAOYSA-N 1 0 390.963 3.118 50 0 GGAARO CCOc1ccc(NC(=O)N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000096152453 211312613 /nfs/dbraw/zinc/31/26/13/211312613.db2.gz BESGMYBGFMHLRL-IRXDYDNUSA-N 1 0 381.904 3.192 50 0 GGAARO C[C@H](CCNC(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000096152098 211311840 /nfs/dbraw/zinc/31/18/40/211311840.db2.gz NCZXAEDLFHJZKV-LJQANCHMSA-N 1 0 380.536 3.425 50 0 GGAARO COc1ccc(NC(=O)N(C)CCC[NH+]2CCCCCC2)cc1NC(C)=O ZINC000096149074 211309689 /nfs/dbraw/zinc/30/96/89/211309689.db2.gz ROLVSAHFDRIRPQ-UHFFFAOYSA-N 1 0 376.501 3.383 50 0 GGAARO COCCN(C(=O)Nc1ccc(C(F)(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC000096131498 211304995 /nfs/dbraw/zinc/30/49/95/211304995.db2.gz QNHCVGHPGSXSMQ-UHFFFAOYSA-N 1 0 377.382 3.419 50 0 GGAARO Fc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)c1 ZINC000096131897 211304709 /nfs/dbraw/zinc/30/47/09/211304709.db2.gz KRFQDUYPFIBOSY-UHFFFAOYSA-N 1 0 380.471 3.377 50 0 GGAARO C[C@H](c1ccc(-c2ccc3ncnc(NCCO)c3c2)cc1)[NH+]1CCOCC1 ZINC000096132485 211304311 /nfs/dbraw/zinc/30/43/11/211304311.db2.gz XXFPLYUMWUMMOY-MRXNPFEDSA-N 1 0 378.476 3.094 50 0 GGAARO CCOCCOc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096131428 211303983 /nfs/dbraw/zinc/30/39/83/211303983.db2.gz PNJUVGBQVQLUOL-PKOBYXMFSA-N 1 0 375.513 3.488 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)cc1OC ZINC000096115786 211302480 /nfs/dbraw/zinc/30/24/80/211302480.db2.gz RIJIGURABGYWQG-QFBILLFUSA-N 1 0 398.507 3.088 50 0 biogenic GGAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000095518996 211263810 /nfs/dbraw/zinc/26/38/10/211263810.db2.gz FLENIBIDKTZMJA-CQSZACIVSA-N 1 0 385.580 3.012 50 0 GGAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000095531339 211275591 /nfs/dbraw/zinc/27/55/91/211275591.db2.gz GJNKCWXSILRSQZ-IBGZPJMESA-N 1 0 393.466 3.435 50 0 GGAARO O=C1[C@H]2CC[C@H](C[N@H+](CCc3c[nH]c4ccccc34)C2)N1Cc1cscn1 ZINC000095528568 211275302 /nfs/dbraw/zinc/27/53/02/211275302.db2.gz TWIBVNDVZNFLCA-FUHWJXTLSA-N 1 0 380.517 3.290 50 0 GGAARO COCCCC[NH+]1CCN(C(=O)Nc2ccnn2[C@H](C)c2ccccc2)CC1 ZINC000095529439 211275275 /nfs/dbraw/zinc/27/52/75/211275275.db2.gz AYZQCNOGBURQNW-GOSISDBHSA-N 1 0 385.512 3.069 50 0 GGAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C[C@@H]4CNC(=O)O4)CC3)cc2)c1 ZINC000095529767 211275239 /nfs/dbraw/zinc/27/52/39/211275239.db2.gz DCVSULPSVFAHBT-NRFANRHFSA-N 1 0 393.487 3.421 50 0 GGAARO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000095531270 211274976 /nfs/dbraw/zinc/27/49/76/211274976.db2.gz XDKDXRGTQZWGDM-QFIPXVFZSA-N 1 0 398.547 3.169 50 0 GGAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000095531338 211274864 /nfs/dbraw/zinc/27/48/64/211274864.db2.gz GJNKCWXSILRSQZ-LJQANCHMSA-N 1 0 393.466 3.435 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2[NH+](C)C)cc1 ZINC000095529548 211274516 /nfs/dbraw/zinc/27/45/16/211274516.db2.gz RFOCVPMRYQZVHN-PKOBYXMFSA-N 1 0 398.894 3.166 50 0 GGAARO O=C(NCC(F)F)c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000095527406 211272950 /nfs/dbraw/zinc/27/29/50/211272950.db2.gz BTWTYSFWCMUWJF-UHFFFAOYSA-N 1 0 375.419 3.120 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(Cl)ccc1OC)CC2 ZINC000095527006 211272902 /nfs/dbraw/zinc/27/29/02/211272902.db2.gz ZGVWJNKZDFTHIL-UHFFFAOYSA-N 1 0 388.899 3.081 50 0 GGAARO Cc1ccc(F)c(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095527319 211272639 /nfs/dbraw/zinc/27/26/39/211272639.db2.gz WXCUKUWAMZRFNZ-UHFFFAOYSA-N 1 0 382.483 3.143 50 0 GGAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCCn1ccnc1)CC2 ZINC000095526353 211272678 /nfs/dbraw/zinc/27/26/78/211272678.db2.gz SCYXJPQKFLVHJZ-UHFFFAOYSA-N 1 0 386.927 3.441 50 0 GGAARO CC(C)NC(=O)CC[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095526987 211271939 /nfs/dbraw/zinc/27/19/39/211271939.db2.gz FNPGVVYZARXALV-UHFFFAOYSA-N 1 0 391.943 3.069 50 0 GGAARO COc1ccc2c(c1)OC[C@H](C(=O)NC1CC[NH+](Cc3cccs3)CC1)C2 ZINC000095522788 211270825 /nfs/dbraw/zinc/27/08/25/211270825.db2.gz MYFCCQXWDYOZEG-MRXNPFEDSA-N 1 0 386.517 3.089 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1nc(C)c[nH]1 ZINC000095523922 211270755 /nfs/dbraw/zinc/27/07/55/211270755.db2.gz HCANJFAIYWKHHT-IBGZPJMESA-N 1 0 384.524 3.144 50 0 GGAARO O=C(Nc1ccnn1CC1CC1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000095525312 211269828 /nfs/dbraw/zinc/26/98/28/211269828.db2.gz OOCNZSIDSARROQ-FQEVSTJZSA-N 1 0 379.508 3.000 50 0 GGAARO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCOc1ccccc1)C2 ZINC000095525047 211268760 /nfs/dbraw/zinc/26/87/60/211268760.db2.gz KANRPTTVFADGOY-RBUKOAKNSA-N 1 0 383.492 3.183 50 0 GGAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000095522609 211268820 /nfs/dbraw/zinc/26/88/20/211268820.db2.gz FZMHHOQARCBQEF-NRFANRHFSA-N 1 0 385.552 3.349 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000095521961 211268357 /nfs/dbraw/zinc/26/83/57/211268357.db2.gz PBZVDKBZWLASJK-IBGZPJMESA-N 1 0 379.508 3.336 50 0 GGAARO C=Cc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095522414 211268278 /nfs/dbraw/zinc/26/82/78/211268278.db2.gz JPNPVDVTKKIHSS-UHFFFAOYSA-N 1 0 376.504 3.339 50 0 GGAARO Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3C[C@@H](C(C)C)[C@H]([NH+](C)C)C3)c2)o1 ZINC000095521623 211268129 /nfs/dbraw/zinc/26/81/29/211268129.db2.gz QKGYPIDHZWKVJK-ZWKOTPCHSA-N 1 0 391.537 3.165 50 0 GGAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000095520555 211267773 /nfs/dbraw/zinc/26/77/73/211267773.db2.gz GIYVEHWHVOJERO-QGZVFWFLSA-N 1 0 386.467 3.141 50 0 GGAARO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000095521867 211267308 /nfs/dbraw/zinc/26/73/08/211267308.db2.gz HYTSOZBEBYZGNP-OAHLLOKOSA-N 1 0 391.903 3.071 50 0 GGAARO COc1ccc(C(C)(C)C)cc1NC(=O)NCC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000095521437 211267107 /nfs/dbraw/zinc/26/71/07/211267107.db2.gz RFDWYECZZNTFEG-MRXNPFEDSA-N 1 0 376.545 3.140 50 0 GGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3cnc(C)nc3C)CC2)cc1 ZINC000095520211 211266931 /nfs/dbraw/zinc/26/69/31/211266931.db2.gz NSGBCKNNWJDVBJ-UHFFFAOYSA-N 1 0 396.535 3.129 50 0 GGAARO CCc1ncc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095519990 211267052 /nfs/dbraw/zinc/26/70/52/211267052.db2.gz FEZJJCUKDVTLKU-GOSISDBHSA-N 1 0 384.499 3.205 50 0 GGAARO COc1ccc(C(C)(C)C)cc1NC(=O)NCC[C@H](C)[NH+]1CCN(C)CC1 ZINC000095521436 211266755 /nfs/dbraw/zinc/26/67/55/211266755.db2.gz RFDWYECZZNTFEG-INIZCTEOSA-N 1 0 376.545 3.140 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)nc2C)C1 ZINC000095521430 211266840 /nfs/dbraw/zinc/26/68/40/211266840.db2.gz KQZDECSOJDVWIH-IBGZPJMESA-N 1 0 396.535 3.129 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C)nc2C)C1 ZINC000095521431 211266692 /nfs/dbraw/zinc/26/66/92/211266692.db2.gz KQZDECSOJDVWIH-LJQANCHMSA-N 1 0 396.535 3.129 50 0 GGAARO CCOc1ncccc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095522303 211266320 /nfs/dbraw/zinc/26/63/20/211266320.db2.gz CNDVSGSVPUAKCO-PWRODBHTSA-N 1 0 395.478 3.322 50 0 GGAARO CN(Cc1cnccn1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000095521120 211266082 /nfs/dbraw/zinc/26/60/82/211266082.db2.gz UEDWZEBFSGJXLH-JOCHJYFZSA-N 1 0 398.551 3.113 50 0 GGAARO Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1OC1CC[NH+](C)CC1)C1CC1 ZINC000095516612 211264749 /nfs/dbraw/zinc/26/47/49/211264749.db2.gz XVRUCQFBXQRJFV-IBGZPJMESA-N 1 0 383.496 3.166 50 0 GGAARO COc1ccc(CN(C)Cc2ccco2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095497753 211251755 /nfs/dbraw/zinc/25/17/55/211251755.db2.gz JNDBMLFYODPMQN-IBGZPJMESA-N 1 0 388.508 3.146 50 0 GGAARO O=C(c1ccn[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095496829 211251049 /nfs/dbraw/zinc/25/10/49/211251049.db2.gz RCZLTIUVLXVASZ-IBGZPJMESA-N 1 0 381.524 3.492 50 0 GGAARO Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)o1 ZINC000095498469 211250901 /nfs/dbraw/zinc/25/09/01/211250901.db2.gz UCVMOYXJMDDVJA-KRWDZBQOSA-N 1 0 386.467 3.114 50 0 GGAARO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCC(F)(F)CC2)cc1OC ZINC000095496563 211250820 /nfs/dbraw/zinc/25/08/20/211250820.db2.gz XQLJIEXPOAKTDX-KRWDZBQOSA-N 1 0 386.483 3.008 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC000095511419 211262198 /nfs/dbraw/zinc/26/21/98/211262198.db2.gz LMGHSBWQCYZBEK-HNNXBMFYSA-N 1 0 376.451 3.133 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@H](C)O)CC1 ZINC000095511458 211262084 /nfs/dbraw/zinc/26/20/84/211262084.db2.gz FOQLUORRXVTJLV-IBGZPJMESA-N 1 0 381.520 3.012 50 0 GGAARO Cc1cc(C)c(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)cn1 ZINC000095512866 211261884 /nfs/dbraw/zinc/26/18/84/211261884.db2.gz ILPQXORSGZUYBG-UHFFFAOYSA-N 1 0 381.524 3.067 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)o1 ZINC000095515344 211261504 /nfs/dbraw/zinc/26/15/04/211261504.db2.gz HCXRMOPRAVKVNI-IBGZPJMESA-N 1 0 388.508 3.134 50 0 GGAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCCO)cc2Cl)CC1 ZINC000095512326 211261306 /nfs/dbraw/zinc/26/13/06/211261306.db2.gz CKJQBFVKRUEHTH-UHFFFAOYSA-N 1 0 382.932 3.342 50 0 GGAARO Cc1noc2nc(C)cc(C(=O)N3C[C@@H](c4ccc(C)cc4)[C@H]([NH+](C)C)C3)c12 ZINC000095508371 211260958 /nfs/dbraw/zinc/26/09/58/211260958.db2.gz IHOJTVWXLJATNR-RBUKOAKNSA-N 1 0 378.476 3.318 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 ZINC000095509835 211260858 /nfs/dbraw/zinc/26/08/58/211260858.db2.gz MAEHOKLBLOCLHQ-GOSISDBHSA-N 1 0 386.565 3.333 50 0 GGAARO CC(C)n1c(CN2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)nc2ccccc21 ZINC000095508198 211260050 /nfs/dbraw/zinc/26/00/50/211260050.db2.gz QJQDMVYDEQPWIH-UHFFFAOYSA-N 1 0 378.524 3.320 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c(F)c1 ZINC000095509980 211259319 /nfs/dbraw/zinc/25/93/19/211259319.db2.gz ZAXLUHMZLOKFSO-UHFFFAOYSA-N 1 0 382.483 3.143 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)Cc3ccc4c(c3)OCO4)CC2)o1 ZINC000095505600 211257821 /nfs/dbraw/zinc/25/78/21/211257821.db2.gz XPNKQYUPRLBJAD-UHFFFAOYSA-N 1 0 384.476 3.230 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cncnc1C ZINC000095505914 211257426 /nfs/dbraw/zinc/25/74/26/211257426.db2.gz GMVBQLFDIVPMKX-LJQANCHMSA-N 1 0 384.499 3.341 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ncc[nH]2)CC1 ZINC000095507142 211257469 /nfs/dbraw/zinc/25/74/69/211257469.db2.gz SRGOHGKAMQVNGM-OAQYLSRUSA-N 1 0 396.535 3.252 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)c3cc(CC(C)C)nc(N)n3)CC2)o1 ZINC000095507161 211257293 /nfs/dbraw/zinc/25/72/93/211257293.db2.gz GXSRKCHFLLHAQW-UHFFFAOYSA-N 1 0 399.539 3.143 50 0 GGAARO CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095507331 211257325 /nfs/dbraw/zinc/25/73/25/211257325.db2.gz ATJLXAAGPOTDOC-SFHVURJKSA-N 1 0 389.496 3.007 50 0 GGAARO Cn1ccnc1[C@@H]1CCCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095507214 211256556 /nfs/dbraw/zinc/25/65/56/211256556.db2.gz MVEXSKJHPJJHKS-OAQYLSRUSA-N 1 0 380.536 3.428 50 0 GGAARO Cc1ocnc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095497485 211250389 /nfs/dbraw/zinc/25/03/89/211250389.db2.gz RKYRIRKPXGIYLH-IBGZPJMESA-N 1 0 375.513 3.259 50 0 GGAARO O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1cc2n(n1)CC[NH2+]C2 ZINC000095505265 211256671 /nfs/dbraw/zinc/25/66/71/211256671.db2.gz YXRUASQNOKLXIJ-HXUWFJFHSA-N 1 0 394.906 3.478 50 0 GGAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000095503002 211256132 /nfs/dbraw/zinc/25/61/32/211256132.db2.gz ZVHZFESNPGPSBI-OAQYLSRUSA-N 1 0 395.478 3.422 50 0 GGAARO Cc1ncc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000095504085 211256042 /nfs/dbraw/zinc/25/60/42/211256042.db2.gz VLTMJNDYBRQFMO-UHFFFAOYSA-N 1 0 393.535 3.477 50 0 GGAARO CSc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095503218 211255542 /nfs/dbraw/zinc/25/55/42/211255542.db2.gz FBIMHNPZUQBQCR-UHFFFAOYSA-N 1 0 396.560 3.418 50 0 GGAARO O[C@@H](COc1ccc(CN2CC(Oc3ccccc3)C2)cc1)C[NH+]1CCCCC1 ZINC000095502081 211254745 /nfs/dbraw/zinc/25/47/45/211254745.db2.gz BWJXVUZUMNRUSQ-OAQYLSRUSA-N 1 0 396.531 3.175 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(Cn4ccnc4)o3)C[C@H]2[NH+](C)C)cc1 ZINC000095502959 211254576 /nfs/dbraw/zinc/25/45/76/211254576.db2.gz PNDDIYVBVRDHNN-VQTJNVASSA-N 1 0 378.476 3.003 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2c[nH]cn2)CC1 ZINC000095498952 211254035 /nfs/dbraw/zinc/25/40/35/211254035.db2.gz QAQYKNOLEKEJJV-OAQYLSRUSA-N 1 0 396.535 3.252 50 0 GGAARO CCOc1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095500777 211253761 /nfs/dbraw/zinc/25/37/61/211253761.db2.gz GVIATNBZRDJNCV-GOSISDBHSA-N 1 0 384.524 3.253 50 0 GGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(Cn3nc(C)cc3C)c1)C2 ZINC000095391000 211237525 /nfs/dbraw/zinc/23/75/25/211237525.db2.gz JLECOHCVYOMACW-IFMALSPDSA-N 1 0 380.536 3.495 50 0 GGAARO CCc1ncc(C[NH+]2CCC3(CC(=O)N(CCCc4ccccc4)C3)CC2)cn1 ZINC000095392367 211237148 /nfs/dbraw/zinc/23/71/48/211237148.db2.gz COYQMKZGGLVQBV-UHFFFAOYSA-N 1 0 392.547 3.486 50 0 GGAARO Cc1nc(N)sc1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095392441 211236770 /nfs/dbraw/zinc/23/67/70/211236770.db2.gz DUSCFCDFZQYTIM-RCCFBDPRSA-N 1 0 382.533 3.045 50 0 GGAARO O=C(c1cnc(-c2ccccc2)nc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095388841 211236800 /nfs/dbraw/zinc/23/68/00/211236800.db2.gz VRZCIULVSXHOHP-WIYYLYMNSA-N 1 0 376.504 3.480 50 0 GGAARO COc1ccccc1NC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095497279 211249957 /nfs/dbraw/zinc/24/99/57/211249957.db2.gz YQSMDRNNIZERJO-KRWDZBQOSA-N 1 0 385.512 3.255 50 0 GGAARO CN1CC[C@]2(CN(Cc3ccc(-c4ccccc4F)o3)CC[N@@H+]2C)CCC1=O ZINC000095391793 211236476 /nfs/dbraw/zinc/23/64/76/211236476.db2.gz FSDOFFLVPBHOFM-QFIPXVFZSA-N 1 0 385.483 3.214 50 0 GGAARO CSc1ccc(CC(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095359491 211224431 /nfs/dbraw/zinc/22/44/31/211224431.db2.gz GRUMVYSZXAZTDA-GOSISDBHSA-N 1 0 386.565 3.115 50 0 GGAARO COc1ccc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c(C)c1 ZINC000095360070 211224064 /nfs/dbraw/zinc/22/40/64/211224064.db2.gz PUDFRQYNTTZYPK-UHFFFAOYSA-N 1 0 384.524 3.172 50 0 GGAARO CC(C)n1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000095361764 211224111 /nfs/dbraw/zinc/22/41/11/211224111.db2.gz DYLCLDUCLMAIGR-LAUBAEHRSA-N 1 0 378.520 3.168 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)COc3ccccc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095360637 211224152 /nfs/dbraw/zinc/22/41/52/211224152.db2.gz MSOCZCRWZJYWNV-QPTUXGOLSA-N 1 0 392.499 3.163 50 0 GGAARO CSc1ccc(CC(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095359492 211223978 /nfs/dbraw/zinc/22/39/78/211223978.db2.gz GRUMVYSZXAZTDA-SFHVURJKSA-N 1 0 386.565 3.115 50 0 GGAARO C[C@@H](C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000095359411 211223732 /nfs/dbraw/zinc/22/37/32/211223732.db2.gz FIYJUAPOQZGBDZ-INIZCTEOSA-N 1 0 394.519 3.175 50 0 GGAARO COc1ccc2cc([C@H](C(=O)[O-])[NH+]3CCC(OCC[NH+](C)C)CC3)ccc2c1 ZINC000095361217 211223026 /nfs/dbraw/zinc/22/30/26/211223026.db2.gz ALGHUAYQKWQEPA-OAQYLSRUSA-N 1 0 386.492 3.017 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000095359164 211223115 /nfs/dbraw/zinc/22/31/15/211223115.db2.gz MVCSTMJDFJLRQP-GOSISDBHSA-N 1 0 377.492 3.013 50 0 GGAARO COc1cccc([C@@H]2CN(C(=O)c3ncccc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095361015 211222767 /nfs/dbraw/zinc/22/27/67/211222767.db2.gz AUIDJXFXGKRTLO-KSEOMHKRSA-N 1 0 377.488 3.101 50 0 GGAARO Cc1ccccc1N1CC[C@@H](CNC(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095359088 211222840 /nfs/dbraw/zinc/22/28/40/211222840.db2.gz IBEACWWKQLAMFD-IBGZPJMESA-N 1 0 381.520 3.443 50 0 GGAARO CCNc1ncc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)cn1 ZINC000095354904 211222287 /nfs/dbraw/zinc/22/22/87/211222287.db2.gz DHFUTVOIIQDJLU-AZUAARDMSA-N 1 0 381.524 3.013 50 0 GGAARO CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)c1C ZINC000095352769 211222343 /nfs/dbraw/zinc/22/23/43/211222343.db2.gz LWQHHJABKFDCSA-RBUKOAKNSA-N 1 0 384.524 3.466 50 0 GGAARO COc1cccc2c1OC[C@@H](CNC(=O)CCC[NH+]1Cc3ccccc3C1)C2 ZINC000095356449 211222058 /nfs/dbraw/zinc/22/20/58/211222058.db2.gz MLCSZHZZURIEBE-QGZVFWFLSA-N 1 0 380.488 3.159 50 0 GGAARO CCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000095354507 211221788 /nfs/dbraw/zinc/22/17/88/211221788.db2.gz XCTYAZMPJURRLM-IOMROCGXSA-N 1 0 382.483 3.122 50 0 GGAARO CN1CC[C@@]2(CN(Cc3ccc(-c4ccccc4F)o3)CC[N@@H+]2C)CCC1=O ZINC000095391794 211236322 /nfs/dbraw/zinc/23/63/22/211236322.db2.gz FSDOFFLVPBHOFM-JOCHJYFZSA-N 1 0 385.483 3.214 50 0 GGAARO Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095391497 211236380 /nfs/dbraw/zinc/23/63/80/211236380.db2.gz XWRSRLYHFGPKLD-IBGZPJMESA-N 1 0 378.476 3.302 50 0 GGAARO Cc1cc(C)c(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cc1C ZINC000095386401 211235228 /nfs/dbraw/zinc/23/52/28/211235228.db2.gz UMGQOYWKQIQLRU-IBGZPJMESA-N 1 0 378.524 3.365 50 0 GGAARO O=C(c1n[nH]c2ccccc21)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095383117 211234572 /nfs/dbraw/zinc/23/45/72/211234572.db2.gz OJFLIXBLGDJXEL-FUHWJXTLSA-N 1 0 378.451 3.439 50 0 GGAARO O=C(c1ccc(N2CCCC2)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095386461 211234592 /nfs/dbraw/zinc/23/45/92/211234592.db2.gz PMYKPFLZKSMEAL-WMZHIEFXSA-N 1 0 390.531 3.418 50 0 GGAARO Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095388381 211234692 /nfs/dbraw/zinc/23/46/92/211234692.db2.gz JBXJYXFFNWWCCM-IBGZPJMESA-N 1 0 378.520 3.294 50 0 GGAARO O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095384607 211234729 /nfs/dbraw/zinc/23/47/29/211234729.db2.gz CTQMWQXAGHACOU-HXUWFJFHSA-N 1 0 377.488 3.210 50 0 GGAARO Oc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095388207 211233887 /nfs/dbraw/zinc/23/38/87/211233887.db2.gz MGHXBHKOXISSMN-WWPVKYPJSA-N 1 0 378.472 3.183 50 0 GGAARO Cc1ccc(C)c(CC(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c1 ZINC000095383583 211233765 /nfs/dbraw/zinc/23/37/65/211233765.db2.gz ORUPMHILYCYXRY-UHFFFAOYSA-N 1 0 382.552 3.400 50 0 GGAARO CC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 ZINC000095386529 211233700 /nfs/dbraw/zinc/23/37/00/211233700.db2.gz DTHYFSFCBUXXKY-NFBKMPQASA-N 1 0 380.488 3.284 50 0 GGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(F)ccc1-n1nc(C)cc1C)C2 ZINC000095381043 211233070 /nfs/dbraw/zinc/23/30/70/211233070.db2.gz KLNPMGIKIUHXQI-GHTZIAJQSA-N 1 0 386.515 3.171 50 0 GGAARO Cc1ccc([C@H]2CN(C(=O)c3ncc(F)cc3F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095381428 211233102 /nfs/dbraw/zinc/23/31/02/211233102.db2.gz IHRNWRRGVFTLDV-DUXKGJEZSA-N 1 0 383.442 3.371 50 0 GGAARO Cn1cc(CCC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000095382626 211232793 /nfs/dbraw/zinc/23/27/93/211232793.db2.gz KEROGIBBIQYBQY-OAQYLSRUSA-N 1 0 380.536 3.081 50 0 GGAARO CCc1ncc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095379586 211232465 /nfs/dbraw/zinc/23/24/65/211232465.db2.gz JRVRFJHUZGFOPC-MTNREXPMSA-N 1 0 384.474 3.379 50 0 GGAARO O=C(c1c[nH]c(=O)c2ccccc12)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095380885 211232362 /nfs/dbraw/zinc/23/23/62/211232362.db2.gz LQOHTTWKZVKEGK-RBUKOAKNSA-N 1 0 387.483 3.265 50 0 GGAARO CSc1ccc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1 ZINC000095380603 211232088 /nfs/dbraw/zinc/23/20/88/211232088.db2.gz DSEBEPLSNIZOPQ-VQTJNVASSA-N 1 0 381.545 3.469 50 0 GGAARO COc1ccc([C@@H]2C[N@H+](Cc3c(C)nn(C)c3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095380080 211231561 /nfs/dbraw/zinc/23/15/61/211231561.db2.gz FGOISCXLGPAPLB-YTFSRNRJSA-N 1 0 380.536 3.108 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccc(N(C)C)nc2)C3)cc1 ZINC000095378198 211231662 /nfs/dbraw/zinc/23/16/62/211231662.db2.gz BHUVLIBQZHNKIG-LEWJYISDSA-N 1 0 380.536 3.253 50 0 GGAARO Cc1nc[nH]c1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000095378051 211231139 /nfs/dbraw/zinc/23/11/39/211231139.db2.gz HYIPCUGDHOIRRD-FQEVSTJZSA-N 1 0 378.520 3.479 50 0 GGAARO O=C(Cc1ccccc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095378416 211231157 /nfs/dbraw/zinc/23/11/57/211231157.db2.gz YYTWUYZUUIOXTA-WUMKDDEVSA-N 1 0 390.483 3.047 50 0 GGAARO O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095372401 211230821 /nfs/dbraw/zinc/23/08/21/211230821.db2.gz WRNNLKZNMJLTGW-PKOBYXMFSA-N 1 0 378.451 3.210 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095376932 211230357 /nfs/dbraw/zinc/23/03/57/211230357.db2.gz AEQGAHDVTXTHPH-BHDDXSALSA-N 1 0 378.472 3.103 50 0 GGAARO O=C1CCCN1Cc1ccccc1C[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095376386 211230429 /nfs/dbraw/zinc/23/04/29/211230429.db2.gz SSNAIJIEOFOEOA-UHFFFAOYSA-N 1 0 379.435 3.079 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)CCc3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095373296 211230224 /nfs/dbraw/zinc/23/02/24/211230224.db2.gz YRRJVXARSMPVRS-QPTUXGOLSA-N 1 0 391.515 3.112 50 0 GGAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCCn3ccnc3)CC2)C1 ZINC000095375253 211230189 /nfs/dbraw/zinc/23/01/89/211230189.db2.gz FGJXYOSQKYBWAQ-OAQYLSRUSA-N 1 0 380.536 3.391 50 0 GGAARO CCN1CC[C@@]2(CN(Cc3cccc(-c4ccco4)c3)CC[N@@H+]2C)CCC1=O ZINC000095376169 211229913 /nfs/dbraw/zinc/22/99/13/211229913.db2.gz PQSSYYUEGDHPKR-HSZRJFAPSA-N 1 0 381.520 3.465 50 0 GGAARO Cc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c(C)n1 ZINC000095376435 211229461 /nfs/dbraw/zinc/22/94/61/211229461.db2.gz VLLFLQFUEMDCLR-HXUWFJFHSA-N 1 0 378.520 3.435 50 0 GGAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000095372404 211229235 /nfs/dbraw/zinc/22/92/35/211229235.db2.gz RUQWTKAJSHRWSH-UHFFFAOYSA-N 1 0 391.515 3.309 50 0 GGAARO CC(=O)c1cccc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c1 ZINC000095373629 211229289 /nfs/dbraw/zinc/22/92/89/211229289.db2.gz BHGKJIDIAQYVPB-UHFFFAOYSA-N 1 0 382.508 3.057 50 0 GGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCCn3ccnc3)CC2)C1 ZINC000095375254 211229354 /nfs/dbraw/zinc/22/93/54/211229354.db2.gz FGJXYOSQKYBWAQ-NRFANRHFSA-N 1 0 380.536 3.391 50 0 GGAARO O=C(c1n[nH]c2c1CCCC2)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095374339 211229162 /nfs/dbraw/zinc/22/91/62/211229162.db2.gz WAKYIOIGEOXOSA-FUHWJXTLSA-N 1 0 382.483 3.164 50 0 GGAARO COc1cccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4CC3CCC3)nc21 ZINC000095370368 211228500 /nfs/dbraw/zinc/22/85/00/211228500.db2.gz IXEPMJGCAKRTGT-AZUAARDMSA-N 1 0 379.504 3.466 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnc(SC)nc2)C3)cc1 ZINC000095365400 211225238 /nfs/dbraw/zinc/22/52/38/211225238.db2.gz GSGJQHMXTYUMPK-PKOBYXMFSA-N 1 0 384.549 3.304 50 0 GGAARO CCc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc1 ZINC000095363713 211225072 /nfs/dbraw/zinc/22/50/72/211225072.db2.gz FZJMJRVRCMNHNJ-TUACAJSNSA-N 1 0 391.515 3.435 50 0 GGAARO C[C@H](C1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000091964860 211211447 /nfs/dbraw/zinc/21/14/47/211211447.db2.gz QCGFOSVTTCWACP-GOSISDBHSA-N 1 0 381.520 3.435 50 0 GGAARO Cc1ccc([C@@H](C[NH2+]Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)N2CCOCC2)o1 ZINC000091931045 211210840 /nfs/dbraw/zinc/21/08/40/211210840.db2.gz GPIXYDZEJYJMIN-LJQANCHMSA-N 1 0 395.503 3.209 50 0 GGAARO COc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091914937 211210246 /nfs/dbraw/zinc/21/02/46/211210246.db2.gz CFELKBMUCWGXRR-LJQANCHMSA-N 1 0 390.499 3.218 50 0 GGAARO O=C(C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1)NC[C@@H]1CCCO1 ZINC000091895495 211210340 /nfs/dbraw/zinc/21/03/40/211210340.db2.gz PNTVHSZHTHPEMU-QFIPXVFZSA-N 1 0 378.516 3.364 50 0 GGAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(C(=O)c1csc(C)c1)C2 ZINC000091915208 211210362 /nfs/dbraw/zinc/21/03/62/211210362.db2.gz QVHOIAJDDGDJPE-SBHAEUEKSA-N 1 0 392.565 3.036 50 0 GGAARO O=C(C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1)NC[C@H]1CCCO1 ZINC000091895496 211210047 /nfs/dbraw/zinc/21/00/47/211210047.db2.gz PNTVHSZHTHPEMU-JOCHJYFZSA-N 1 0 378.516 3.364 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cccc(OC)c2)C3)cc1 ZINC000095352849 211221279 /nfs/dbraw/zinc/22/12/79/211221279.db2.gz YYAYRSNWARROAL-AZUAARDMSA-N 1 0 380.488 3.440 50 0 GGAARO Cc1cccc2cc(C(=O)N3CCC4(CCC(=O)N(CC[NH+](C)C)C4)CC3)oc21 ZINC000095354775 211221021 /nfs/dbraw/zinc/22/10/21/211221021.db2.gz ATXUMBRLLJGWLW-UHFFFAOYSA-N 1 0 397.519 3.148 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3cn4ccccc4n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095355197 211221112 /nfs/dbraw/zinc/22/11/12/211221112.db2.gz PTORYVZKFRWIPD-WWPVKYPJSA-N 1 0 386.499 3.345 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCOc1ccccc1)C2 ZINC000095357062 211220879 /nfs/dbraw/zinc/22/08/79/211220879.db2.gz DHJUKDJOYQFLEL-RBUKOAKNSA-N 1 0 383.492 3.183 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](CCOc1ccc(C)c(C)c1)CC2 ZINC000091809086 211208890 /nfs/dbraw/zinc/20/88/90/211208890.db2.gz PVKDUSWCEHHXCS-UHFFFAOYSA-N 1 0 388.552 3.423 50 0 GGAARO COc1ccc2c(cc(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)n2C)c1 ZINC000092097379 211216929 /nfs/dbraw/zinc/21/69/29/211216929.db2.gz SSMHJCSEIQSMKM-LJQANCHMSA-N 1 0 377.488 3.316 50 0 GGAARO COc1ccc2c(cc(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)n2C)c1 ZINC000092097376 211216562 /nfs/dbraw/zinc/21/65/62/211216562.db2.gz SSMHJCSEIQSMKM-IBGZPJMESA-N 1 0 377.488 3.316 50 0 GGAARO Cc1cccc(OCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccn3)C2)c1C ZINC000092028267 211215613 /nfs/dbraw/zinc/21/56/13/211215613.db2.gz MBVVACUUCXZFRT-TZIWHRDSSA-N 1 0 379.504 3.200 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000092037187 211215642 /nfs/dbraw/zinc/21/56/42/211215642.db2.gz QCCXTHYYGKOKMW-UHFFFAOYSA-N 1 0 396.535 3.113 50 0 GGAARO COc1ccc(Cl)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000092077479 211215406 /nfs/dbraw/zinc/21/54/06/211215406.db2.gz WKABOUQKKFUMBF-FUHWJXTLSA-N 1 0 385.895 3.480 50 0 GGAARO CSc1cccc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c1 ZINC000092045926 211215443 /nfs/dbraw/zinc/21/54/43/211215443.db2.gz VHMLVFUZSBDUFS-QFIPXVFZSA-N 1 0 387.593 3.317 50 0 GGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000092077067 211214637 /nfs/dbraw/zinc/21/46/37/211214637.db2.gz XIVRAAIFOKTULM-UHFFFAOYSA-N 1 0 394.441 3.483 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)NC(C)=O)CC2)C1 ZINC000092077471 211214685 /nfs/dbraw/zinc/21/46/85/211214685.db2.gz FIWJKEWLQJROBA-FQEVSTJZSA-N 1 0 385.552 3.019 50 0 GGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000092036865 211214712 /nfs/dbraw/zinc/21/47/12/211214712.db2.gz DKCAYBXBMXISGJ-QGZVFWFLSA-N 1 0 378.432 3.009 50 0 GGAARO Nc1ncccc1C[NH+]1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000092036897 211214225 /nfs/dbraw/zinc/21/42/25/211214225.db2.gz CIQBOOIVXYKAQL-UHFFFAOYSA-N 1 0 378.520 3.111 50 0 GGAARO O=C(Cc1ccc(F)cc1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000092001826 211212412 /nfs/dbraw/zinc/21/24/12/211212412.db2.gz YRVXLFHCXUHJDQ-UHFFFAOYSA-N 1 0 384.499 3.420 50 0 GGAARO COc1cccc2c1OC[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000091694030 211203519 /nfs/dbraw/zinc/20/35/19/211203519.db2.gz KJVAFUMRGNZDBW-FQEVSTJZSA-N 1 0 380.488 3.159 50 0 GGAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@H](Cc3cccc(CO)c3)C2)c1 ZINC000091665746 211203602 /nfs/dbraw/zinc/20/36/02/211203602.db2.gz OBPDGIAOIRJFKN-LJQANCHMSA-N 1 0 377.488 3.438 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 ZINC000091645667 211201191 /nfs/dbraw/zinc/20/11/91/211201191.db2.gz WNOCSCRCFUZSFJ-GOSISDBHSA-N 1 0 378.520 3.226 50 0 GGAARO Cc1[nH]c2c(cccc2F)c1CC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000091657070 211201268 /nfs/dbraw/zinc/20/12/68/211201268.db2.gz JYWWKYZYOOFOEN-UHFFFAOYSA-N 1 0 375.513 3.198 50 0 GGAARO Cc1c(C[N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000091663010 211200926 /nfs/dbraw/zinc/20/09/26/211200926.db2.gz KVQYJQODFGTRJA-OAQYLSRUSA-N 1 0 391.515 3.041 50 0 GGAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000091645978 211200715 /nfs/dbraw/zinc/20/07/15/211200715.db2.gz ULOWNIFFRHLVPW-PZJWPPBQSA-N 1 0 379.504 3.493 50 0 GGAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C/C=C/c1ccc(F)cc1)C2)C1CCC1 ZINC000091657247 211200398 /nfs/dbraw/zinc/20/03/98/211200398.db2.gz DDBRCHJJGGCFKI-DUXPYHPUSA-N 1 0 382.483 3.358 50 0 GGAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](CCCn1ccnc1)CC2 ZINC000091664096 211200195 /nfs/dbraw/zinc/20/01/95/211200195.db2.gz HMIQNAZDJHXADW-UHFFFAOYSA-N 1 0 380.536 3.221 50 0 GGAARO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3F)C2)CN1CCc1c[nH]cn1 ZINC000091625483 211199745 /nfs/dbraw/zinc/19/97/45/211199745.db2.gz WYMHTTHCEMKFRS-NRFANRHFSA-N 1 0 388.462 3.135 50 0 GGAARO Cc1c(C[NH+]2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)cnn1C ZINC000091643569 211199839 /nfs/dbraw/zinc/19/98/39/211199839.db2.gz IFFJMDYROQNZNX-RMKNXTFCSA-N 1 0 378.520 3.256 50 0 GGAARO Cc1c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)o2)cnn1-c1ccccn1 ZINC000091637161 211198485 /nfs/dbraw/zinc/19/84/85/211198485.db2.gz YJHOPNGABNBGHD-OAHLLOKOSA-N 1 0 379.464 3.256 50 0 GGAARO CN1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000091602982 211198533 /nfs/dbraw/zinc/19/85/33/211198533.db2.gz OOUUTQMXEUUVLP-DEOSSOPVSA-N 1 0 377.532 3.105 50 0 GGAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](CC[C@H]1CCOC1)CC2 ZINC000091494405 211195047 /nfs/dbraw/zinc/19/50/47/211195047.db2.gz BCXAZRQMLWHNMS-INIZCTEOSA-N 1 0 378.463 3.206 50 0 GGAARO C[C@@H](C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1)C(F)(F)F ZINC000091636879 211198036 /nfs/dbraw/zinc/19/80/36/211198036.db2.gz YNWXRQQDGAPGGB-ZDUSSCGKSA-N 1 0 384.446 3.084 50 0 GGAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc4nonc43)C2)CN1Cc1cccnc1 ZINC000091620277 211197954 /nfs/dbraw/zinc/19/79/54/211197954.db2.gz VJXCHZPIXPOLFV-JOCHJYFZSA-N 1 0 391.475 3.023 50 0 GGAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](CCCCCCO)CC2 ZINC000091526680 211195082 /nfs/dbraw/zinc/19/50/82/211195082.db2.gz AFBXWKWZDUGGPL-UHFFFAOYSA-N 1 0 380.479 3.332 50 0 GGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CCCCCCO)CC2 ZINC000091563420 211197060 /nfs/dbraw/zinc/19/70/60/211197060.db2.gz IIYXAPFZFBLXRR-UHFFFAOYSA-N 1 0 380.479 3.332 50 0 GGAARO CCOc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)CC)cc1 ZINC000091593628 211196841 /nfs/dbraw/zinc/19/68/41/211196841.db2.gz AWJPDQQCROSKMB-UHFFFAOYSA-N 1 0 382.508 3.094 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1C ZINC000091563233 211196614 /nfs/dbraw/zinc/19/66/14/211196614.db2.gz LKEBUEJUUJIFBI-HXUWFJFHSA-N 1 0 386.536 3.387 50 0 GGAARO CCN1CC[C@@]2(CN(Cc3cccc(C(F)(F)F)c3)CC[N@@H+]2C)CCC1=O ZINC000091593851 211196486 /nfs/dbraw/zinc/19/64/86/211196486.db2.gz TXDHCYILTOJAGG-LJQANCHMSA-N 1 0 383.458 3.224 50 0 GGAARO COc1ccc(O)cc1C[NH+]1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091550584 211196230 /nfs/dbraw/zinc/19/62/30/211196230.db2.gz DYGZLWSUKIMSEL-UHFFFAOYSA-N 1 0 395.503 3.201 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC000091594068 211196139 /nfs/dbraw/zinc/19/61/39/211196139.db2.gz CKAZWJAEKSFKNC-FQEVSTJZSA-N 1 0 379.504 3.107 50 0 GGAARO CCn1c(C)cc(C(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)c1C ZINC000091468842 211195471 /nfs/dbraw/zinc/19/54/71/211195471.db2.gz NCRQUXMDFAQLPA-UHFFFAOYSA-N 1 0 383.540 3.400 50 0 GGAARO Cc1ccc(F)c(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1Cl ZINC000091817549 211208687 /nfs/dbraw/zinc/20/86/87/211208687.db2.gz ZUPUBEWHSCGAKS-HZPDHXFCSA-N 1 0 382.907 3.344 50 0 GGAARO O=C1CCC2(CC[NH+](C/C=C/c3ccccc3)CC2)CN1CCc1c[nH]cn1 ZINC000091847491 211208303 /nfs/dbraw/zinc/20/83/03/211208303.db2.gz PHCXDPMNOMQLHK-QPJJXVBHSA-N 1 0 378.520 3.370 50 0 GGAARO CCn1nc(C)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091849363 211207593 /nfs/dbraw/zinc/20/75/93/211207593.db2.gz PXNXIFWTFORDPH-LEWJYISDSA-N 1 0 380.536 3.381 50 0 GGAARO CC[NH+](CC)Cc1cc(C(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c(C)o1 ZINC000091849185 211206879 /nfs/dbraw/zinc/20/68/79/211206879.db2.gz UDEXSMOVPZDROH-GOSISDBHSA-N 1 0 389.540 3.437 50 0 GGAARO Cc1nn(C)c(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091736317 211205131 /nfs/dbraw/zinc/20/51/31/211205131.db2.gz CQXCKFNHSZPDBJ-LEWJYISDSA-N 1 0 380.536 3.206 50 0 GGAARO COc1cc(F)c(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1OC ZINC000091770018 211205193 /nfs/dbraw/zinc/20/51/93/211205193.db2.gz FJDLPTYPISLIKE-NRFANRHFSA-N 1 0 376.472 3.067 50 0 GGAARO CC(C)c1nnsc1C[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091756696 211204725 /nfs/dbraw/zinc/20/47/25/211204725.db2.gz QKRSDYKOOIOUPJ-UHFFFAOYSA-N 1 0 399.564 3.461 50 0 GGAARO Cc1ccc(-c2cccc(CN3CC[N@H+](C)[C@@]4(C3)CCC(=O)N(C)CC4)c2)o1 ZINC000091424781 211191661 /nfs/dbraw/zinc/19/16/61/211191661.db2.gz VNMYZUSRRRHNHW-QHCPKHFHSA-N 1 0 381.520 3.384 50 0 GGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1[nH]c3ccc(Cl)cc3c1C)C2 ZINC000091461413 211191438 /nfs/dbraw/zinc/19/14/38/211191438.db2.gz SDWHKHRNUPGLMH-GDBMZVCRSA-N 1 0 375.900 3.313 50 0 GGAARO Cc1ccccc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091460827 211191398 /nfs/dbraw/zinc/19/13/98/211191398.db2.gz OOQGGERQMNFCRD-UHFFFAOYSA-N 1 0 378.520 3.394 50 0 GGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3cc4cc(C)ccc4n3C)C2)CCC1=O ZINC000091289378 211190749 /nfs/dbraw/zinc/19/07/49/211190749.db2.gz BWEUCGMZZRKBLI-QHCPKHFHSA-N 1 0 383.536 3.338 50 0 GGAARO Cc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)ccc1F ZINC000091364988 211190804 /nfs/dbraw/zinc/19/08/04/211190804.db2.gz CMYUCSDEGBGDCX-JOCHJYFZSA-N 1 0 384.499 3.305 50 0 GGAARO Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091381398 211190903 /nfs/dbraw/zinc/19/09/03/211190903.db2.gz XQOUXHNUWWLKTA-QFIPXVFZSA-N 1 0 384.499 3.305 50 0 GGAARO C[N@@H+]1CCN(Cc2ccc(-c3ccccc3F)cc2)C[C@]12CCNC(=O)CC2 ZINC000091320470 211190119 /nfs/dbraw/zinc/19/01/19/211190119.db2.gz VLUBYTBYLCDWNM-QHCPKHFHSA-N 1 0 381.495 3.279 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2cc(C(C)C)no2)CC3)cn1 ZINC000091320874 211189183 /nfs/dbraw/zinc/18/91/83/211189183.db2.gz ASMCKXVXCNRAMQ-UHFFFAOYSA-N 1 0 397.523 3.301 50 0 GGAARO O=C(c1cnc2ccccn12)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091254351 211188346 /nfs/dbraw/zinc/18/83/46/211188346.db2.gz TURBVTKYMIHIOA-PKOBYXMFSA-N 1 0 378.451 3.210 50 0 GGAARO Cc1cnc(CN2C[C@]3(CCC[N@H+](CCCC(F)(F)F)C3)CCC2=O)cn1 ZINC000091270442 211188483 /nfs/dbraw/zinc/18/84/83/211188483.db2.gz JHFZNKPGSCPBNS-GOSISDBHSA-N 1 0 384.446 3.332 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccnc(N)c3)CC2)C1 ZINC000091255877 211188327 /nfs/dbraw/zinc/18/83/27/211188327.db2.gz FQYQCMQLVAERQW-FQEVSTJZSA-N 1 0 378.520 3.396 50 0 GGAARO C[NH+]1CCC(Cc2noc([C@@H]3CCC(=O)N(CCCc4ccccc4)C3)n2)CC1 ZINC000091255592 211187553 /nfs/dbraw/zinc/18/75/53/211187553.db2.gz LGCAWBGMADTUKG-HXUWFJFHSA-N 1 0 396.535 3.293 50 0 GGAARO CN1CC[C@]2(CN(Cc3ccc(OC4CCCC4)cc3)CC[N@@H+]2C)CCC1=O ZINC000091269707 211187288 /nfs/dbraw/zinc/18/72/88/211187288.db2.gz DAHZUVOEPVQIIM-QHCPKHFHSA-N 1 0 385.552 3.137 50 0 GGAARO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cn1 ZINC000091416489 211193303 /nfs/dbraw/zinc/19/33/03/211193303.db2.gz RKNAOOHHGBMSRY-PZJWPPBQSA-N 1 0 378.520 3.208 50 0 GGAARO O=C(COc1ccccc1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091461670 211193011 /nfs/dbraw/zinc/19/30/11/211193011.db2.gz MICGQRDZVXAVDL-UHFFFAOYSA-N 1 0 382.508 3.117 50 0 GGAARO O=C(c1ccc2n[nH]nc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091434508 211193042 /nfs/dbraw/zinc/19/30/42/211193042.db2.gz JCOHLULFSDQPKR-AZUAARDMSA-N 1 0 389.503 3.127 50 0 GGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CC[C@@H]1CCOC1)CC2 ZINC000091435159 211192541 /nfs/dbraw/zinc/19/25/41/211192541.db2.gz YYJBKTIPKWXUKN-MRXNPFEDSA-N 1 0 378.463 3.206 50 0 GGAARO CN1CC2(CCC1=O)CC[NH+](Cc1ccc3c4c1cccc4C(=O)OC3)CC2 ZINC000091434133 211192389 /nfs/dbraw/zinc/19/23/89/211192389.db2.gz ODICFDHZLQNNFZ-UHFFFAOYSA-N 1 0 378.472 3.345 50 0 GGAARO CCc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c1C ZINC000091425743 211192309 /nfs/dbraw/zinc/19/23/09/211192309.db2.gz KGAKHFMUAOVGQP-VQTJNVASSA-N 1 0 380.536 3.450 50 0 GGAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cccc3nonc31)CC2 ZINC000091416881 211192058 /nfs/dbraw/zinc/19/20/58/211192058.db2.gz APGFFBILDHIYJX-UHFFFAOYSA-N 1 0 380.496 3.095 50 0 GGAARO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000084699902 211174471 /nfs/dbraw/zinc/17/44/71/211174471.db2.gz BXIHDSGTNAGLAG-MBDNFAEBSA-N 1 0 393.616 3.091 50 0 GGAARO Cc1nc2cc(C(=O)NCc3cc4n(n3)CC[N@@H+](CC(C)C)C4)ccc2s1 ZINC000082120029 211161766 /nfs/dbraw/zinc/16/17/66/211161766.db2.gz LQYJYDQBPILCOI-UHFFFAOYSA-N 1 0 383.521 3.203 50 0 GGAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)Nc1ccccc1Oc1ccccc1 ZINC000082107635 211161638 /nfs/dbraw/zinc/16/16/38/211161638.db2.gz ODWUMVYADXVXTE-UHFFFAOYSA-N 1 0 377.448 3.490 50 0 GGAARO Cc1cccc(-c2ncc(-c3nccn3CC3([NH+](C)C)CCOCC3)cn2)c1 ZINC000082145860 211161346 /nfs/dbraw/zinc/16/13/46/211161346.db2.gz GQHGPGQIEZGJSO-UHFFFAOYSA-N 1 0 377.492 3.426 50 0 GGAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccncc2)CC1)c1ccc(-c2cc[nH]n2)cc1 ZINC000082108140 211161045 /nfs/dbraw/zinc/16/10/45/211161045.db2.gz OXFGNZSWQKFJDA-HXUWFJFHSA-N 1 0 375.476 3.256 50 0 GGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccnc4ccc(C)cc43)cc2C1 ZINC000082086560 211160566 /nfs/dbraw/zinc/16/05/66/211160566.db2.gz GMJKMYFXKSZFEV-UHFFFAOYSA-N 1 0 377.492 3.285 50 0 GGAARO O=C(NCC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082092806 211160027 /nfs/dbraw/zinc/16/00/27/211160027.db2.gz KHPGMHBVZFAQEU-JOCHJYFZSA-N 1 0 398.595 3.455 50 0 GGAARO COc1ccc(C[NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)cc1C ZINC000082091635 211159423 /nfs/dbraw/zinc/15/94/23/211159423.db2.gz FYTBKTFPLSANSM-UHFFFAOYSA-N 1 0 383.540 3.371 50 0 GGAARO Cc1nc(C(C)C)ncc1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082099369 211159086 /nfs/dbraw/zinc/15/90/86/211159086.db2.gz BMSMNJLDYYOGOH-UHFFFAOYSA-N 1 0 378.520 3.224 50 0 GGAARO O=C1Nc2ccccc2NC12CC[NH+]([C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000082171022 211164159 /nfs/dbraw/zinc/16/41/59/211164159.db2.gz MQMVBKPJTVXLAW-GOSISDBHSA-N 1 0 380.467 3.303 50 0 GGAARO CC(C)CC1(NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082107819 211162758 /nfs/dbraw/zinc/16/27/58/211162758.db2.gz QBQIAJBTTWYKKL-NRFANRHFSA-N 1 0 398.595 3.453 50 0 GGAARO Nc1ncccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000082146939 211162785 /nfs/dbraw/zinc/16/27/85/211162785.db2.gz VPWZARQKVIZEGQ-QHCPKHFHSA-N 1 0 378.520 3.111 50 0 GGAARO O=C(N[C@H]1CCC[N@H+](Cc2ccncc2)CC1)c1ccc(-c2cc[nH]n2)cc1 ZINC000082108141 211162548 /nfs/dbraw/zinc/16/25/48/211162548.db2.gz OXFGNZSWQKFJDA-FQEVSTJZSA-N 1 0 375.476 3.256 50 0 GGAARO COc1ccc(-c2ncc(C[NH+]3CCC(CCN4CCCC4=O)CC3)cn2)cc1 ZINC000077556044 211138411 /nfs/dbraw/zinc/13/84/11/211138411.db2.gz QPDXJOYRGMYUJU-UHFFFAOYSA-N 1 0 394.519 3.377 50 0 GGAARO Cc1ncc(C[NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)cn1 ZINC000077536538 211137093 /nfs/dbraw/zinc/13/70/93/211137093.db2.gz KBOYKBIKLWJTIN-UHFFFAOYSA-N 1 0 384.911 3.453 50 0 GGAARO Cc1nccn1CCC[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077525656 211136795 /nfs/dbraw/zinc/13/67/95/211136795.db2.gz MLRVTJCPBZICHH-UHFFFAOYSA-N 1 0 382.508 3.111 50 0 GGAARO COCc1ncc(C[N@@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)cn1 ZINC000077515648 211135994 /nfs/dbraw/zinc/13/59/94/211135994.db2.gz UEPUEBSACWQSRL-IBGZPJMESA-N 1 0 377.492 3.317 50 0 GGAARO COc1ccc2n[nH]c(C[N@@H+]3CCC[C@@]4(CCC(=O)N(CC5CC5)C4)C3)c2c1 ZINC000077457338 211135333 /nfs/dbraw/zinc/13/53/33/211135333.db2.gz NHLNGMQHJZCOKZ-JOCHJYFZSA-N 1 0 382.508 3.186 50 0 GGAARO CCC(CC)CN1CC2(CCN(C(=O)[C@H]([NH2+]C)c3ccccc3)CC2)OC1=O ZINC000077407949 211133266 /nfs/dbraw/zinc/13/32/66/211133266.db2.gz PYFXJJUYVOSUQV-LJQANCHMSA-N 1 0 387.524 3.197 50 0 GGAARO Cc1[nH]c2ccc(C(=O)NCc3cc4n(n3)CC[N@@H+](CC(C)C)C4)cc2c1C ZINC000077427055 211133313 /nfs/dbraw/zinc/13/33/13/211133313.db2.gz QTQVOZNSXBPFPD-UHFFFAOYSA-N 1 0 379.508 3.383 50 0 GGAARO COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000077406345 211132713 /nfs/dbraw/zinc/13/27/13/211132713.db2.gz JYVMFBVTANIPGO-MSOLQXFVSA-N 1 0 382.508 3.309 50 0 GGAARO Cn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCC[N@H+](C)CC3)cnc21 ZINC000077320577 211129144 /nfs/dbraw/zinc/12/91/44/211129144.db2.gz PHTDRTFSFJCEJW-UHFFFAOYSA-N 1 0 383.883 3.066 50 0 GGAARO [NH3+]CCC(=O)CCC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000077031983 211126569 /nfs/dbraw/zinc/12/65/69/211126569.db2.gz OOYIYUSNYRHIEF-UHFFFAOYSA-N 1 0 394.471 3.182 50 0 GGAARO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000015084247 211126577 /nfs/dbraw/zinc/12/65/77/211126577.db2.gz LREAQPNCHAYYIL-NSHGMRRFSA-N 1 0 398.503 3.397 50 0 GGAARO COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2C[N@H+](C)CCO)c1 ZINC000072478532 211124480 /nfs/dbraw/zinc/12/44/80/211124480.db2.gz YRCHNQBVACKHAY-UHFFFAOYSA-N 1 0 382.460 3.352 50 0 GGAARO Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)CC[NH+]3CCCCCC3)c12 ZINC000072454509 211123259 /nfs/dbraw/zinc/12/32/59/211123259.db2.gz CJAPDPUPDVUBAP-UHFFFAOYSA-N 1 0 379.512 3.046 50 0 GGAARO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@H+](C)C[C@H](O)CO)cc12 ZINC000072456759 211121472 /nfs/dbraw/zinc/12/14/72/211121472.db2.gz JTQKRYDLXDRNPK-SFHVURJKSA-N 1 0 396.487 3.012 50 0 GGAARO COCC[N@@H+]1CCC[C@@H](CNc2cc(-c3ccccc3)nc3cc(C)nn32)C1 ZINC000072434340 211121001 /nfs/dbraw/zinc/12/10/01/211121001.db2.gz GFJYJEIANNVXMM-SFHVURJKSA-N 1 0 379.508 3.475 50 0 GGAARO Cc1nc(C2CC2)ncc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072448132 211120861 /nfs/dbraw/zinc/12/08/61/211120861.db2.gz LOQDAJQMEWYVEQ-UHFFFAOYSA-N 1 0 376.504 3.325 50 0 GGAARO CC1=C(CC[N@@H+]2CCOC[C@@H]2CC(=O)N2CCCOCC2)C(C)(C)CCC1 ZINC000072453743 211120425 /nfs/dbraw/zinc/12/04/25/211120425.db2.gz YTBDGWUVCCAFEO-IBGZPJMESA-N 1 0 378.557 3.243 50 0 GGAARO CC1=C(CC[N@@H+]2CCOC[C@H]2CC(=O)N2CCCOCC2)C(C)(C)CCC1 ZINC000072453744 211120499 /nfs/dbraw/zinc/12/04/99/211120499.db2.gz YTBDGWUVCCAFEO-LJQANCHMSA-N 1 0 378.557 3.243 50 0 GGAARO CC(C)(O)CCc1ccc(C(=O)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000072440038 211120533 /nfs/dbraw/zinc/12/05/33/211120533.db2.gz YZNWROVXCJSJLE-UHFFFAOYSA-N 1 0 376.566 3.044 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3cccc(C)c3C)[nH+]c(C)n2)c1C ZINC000072437572 211120210 /nfs/dbraw/zinc/12/02/10/211120210.db2.gz QNAHIZHQUATDPS-UHFFFAOYSA-N 1 0 393.495 3.438 50 0 GGAARO Cc1ccc(-n2cc(C[N@@H+]3CC[C@H](O)[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072439753 211120272 /nfs/dbraw/zinc/12/02/72/211120272.db2.gz WOEQYLOOXBISFX-VXKWHMMOSA-N 1 0 377.488 3.084 50 0 GGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1C[C@H](CO)C[C@H](CO)C1 ZINC000072453417 211119732 /nfs/dbraw/zinc/11/97/32/211119732.db2.gz SRVAFSZHHNCSNC-OKILXGFUSA-N 1 0 384.398 3.092 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4nccnc4C)C3)C2)c1OC ZINC000072453987 211119422 /nfs/dbraw/zinc/11/94/22/211119422.db2.gz FEHBRMXKDLOSQL-QFIPXVFZSA-N 1 0 382.508 3.295 50 0 GGAARO COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000072433502 211118074 /nfs/dbraw/zinc/11/80/74/211118074.db2.gz LJHPGDSJNKKMFL-MRXNPFEDSA-N 1 0 394.471 3.494 50 0 GGAARO CCc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)cn1 ZINC000072430845 211117896 /nfs/dbraw/zinc/11/78/96/211117896.db2.gz CDFKHIHGGLDQTD-LEWJYISDSA-N 1 0 378.520 3.095 50 0 GGAARO CCOc1ccc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc1Cl ZINC000072423826 211116836 /nfs/dbraw/zinc/11/68/36/211116836.db2.gz HJKOFLYPPQUFSI-OAHLLOKOSA-N 1 0 380.916 3.312 50 0 GGAARO CO[C@H]1[C@H](NC(=O)c2cnc3ccccc3c2)c2ccccc2C12CC[NH2+]CC2 ZINC000072408781 211114085 /nfs/dbraw/zinc/11/40/85/211114085.db2.gz GSNUEJWBDQKYAW-YADHBBJMSA-N 1 0 387.483 3.356 50 0 GGAARO CO[C@H]1[C@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccccc2C12CC[NH2+]CC2 ZINC000072410006 211114120 /nfs/dbraw/zinc/11/41/20/211114120.db2.gz BRIUSWXMDAKQLH-PKTZIBPZSA-N 1 0 389.499 3.218 50 0 GGAARO COC(=O)COc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000072174168 211081935 /nfs/dbraw/zinc/08/19/35/211081935.db2.gz LMKOVCSEEKXVHE-UHFFFAOYSA-N 1 0 386.467 3.085 50 0 GGAARO CCOC(=O)CCC[N@@H+]1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072148313 211076841 /nfs/dbraw/zinc/07/68/41/211076841.db2.gz JEXWARAOMLRGMR-MAODMQOUSA-N 1 0 378.463 3.170 50 0 GGAARO C[NH+](C)[C@H]1CCCN(c2nnnn2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000072147301 211076395 /nfs/dbraw/zinc/07/63/95/211076395.db2.gz PLLHRCVOFKZCQY-KRWDZBQOSA-N 1 0 378.480 3.375 50 0 GGAARO CO[C@@H]1CCCN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)C1 ZINC000072148386 211076052 /nfs/dbraw/zinc/07/60/52/211076052.db2.gz XHDBSYXNNHJTQX-HSZRJFAPSA-N 1 0 392.543 3.336 50 0 GGAARO O=C(C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1)N1CCOCC1 ZINC000072144461 211075969 /nfs/dbraw/zinc/07/59/69/211075969.db2.gz YFNRCUDSMCGJIP-MRXNPFEDSA-N 1 0 384.442 3.209 50 0 GGAARO CCO[C@H]1[C@H](NC(=O)c2cc(C(C)C)on2)c2ccccc2C12CC[NH2+]CC2 ZINC000072149493 211076020 /nfs/dbraw/zinc/07/60/20/211076020.db2.gz BLCTWYMBXZFZJD-UXHICEINSA-N 1 0 383.492 3.309 50 0 GGAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1cnc(-c2cccnc2)nc1 ZINC000072148634 211075743 /nfs/dbraw/zinc/07/57/43/211075743.db2.gz JJCBNSIAJQVFCJ-HXUWFJFHSA-N 1 0 379.508 3.313 50 0 GGAARO CN(CCC[NH+]1CCCCCC1)c1nc(-c2ccncc2)nc2c1cnn2C ZINC000072162802 211080073 /nfs/dbraw/zinc/08/00/73/211080073.db2.gz PWPZIUZSWHWPDV-UHFFFAOYSA-N 1 0 379.512 3.128 50 0 GGAARO Cc1ccccc1[C@@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)[NH+](C)C ZINC000072165895 211079758 /nfs/dbraw/zinc/07/97/58/211079758.db2.gz DMDUOSOJBOCNGM-LJQANCHMSA-N 1 0 387.491 3.449 50 0 GGAARO COc1cccc(OC)c1C[NH+]1CCC2(CC1)c1ccccc1[C@@H](OC)[C@@H]2O ZINC000072168698 211079783 /nfs/dbraw/zinc/07/97/83/211079783.db2.gz LTMKETUINLUHPT-YADHBBJMSA-N 1 0 383.488 3.300 50 0 GGAARO O=C(CC1CC1)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072161628 211078479 /nfs/dbraw/zinc/07/84/79/211078479.db2.gz UHILCSLBRHAFSC-PKTZIBPZSA-N 1 0 391.515 3.259 50 0 GGAARO O=C(CCSc1ccc2c(c1)OCCO2)N[C@H]1CC[C@H]1[NH2+]C1CCCC1 ZINC000072156472 211078515 /nfs/dbraw/zinc/07/85/15/211078515.db2.gz QDIZQMHCRQIATN-SJORKVTESA-N 1 0 376.522 3.119 50 0 GGAARO Cn1c(C(=O)N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cc2c1cccc2Cl ZINC000072157892 211077619 /nfs/dbraw/zinc/07/76/19/211077619.db2.gz YAIFTRDDJXMSSB-MRXNPFEDSA-N 1 0 389.927 3.141 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NC[C@@H]2CCCCO2)Cc2ccccc2C1 ZINC000072135220 211074281 /nfs/dbraw/zinc/07/42/81/211074281.db2.gz WTQLZDUXTRLQFK-QHCPKHFHSA-N 1 0 392.543 3.384 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(c3cc(C4CC4)ncn3)C2)CC1 ZINC000072137183 211073840 /nfs/dbraw/zinc/07/38/40/211073840.db2.gz JTVMLIKEEYQPJC-FQEVSTJZSA-N 1 0 377.536 3.453 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NC[C@H]2CCCCO2)Cc2ccccc2C1 ZINC000072135221 211072948 /nfs/dbraw/zinc/07/29/48/211072948.db2.gz WTQLZDUXTRLQFK-HSZRJFAPSA-N 1 0 392.543 3.384 50 0 GGAARO O=C(c1ccc2c(c1)OCO2)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072127395 211071463 /nfs/dbraw/zinc/07/14/63/211071463.db2.gz GKRRLLJZEIFGPG-STZQEDGTSA-N 1 0 376.456 3.118 50 0 GGAARO C[NH2+]C1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC1 ZINC000072125322 211071081 /nfs/dbraw/zinc/07/10/81/211071081.db2.gz QXJLVDUKTFEBGW-UHFFFAOYSA-N 1 0 377.492 3.495 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3ccccc3Cl)[nH+]c(C)n2)c1C ZINC000072115919 211070268 /nfs/dbraw/zinc/07/02/68/211070268.db2.gz OYAISPWMAIEUNM-UHFFFAOYSA-N 1 0 399.886 3.475 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3ccc(C)c(F)c3)[nH+]c(C)n2)c1C ZINC000072117520 211070069 /nfs/dbraw/zinc/07/00/69/211070069.db2.gz ZLJWKESZPRTWDF-UHFFFAOYSA-N 1 0 397.458 3.269 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)c3ccc(C)c(C)c3)[nH+]c(C)n2)c1C ZINC000072115866 211069268 /nfs/dbraw/zinc/06/92/68/211069268.db2.gz LWWLWVMIKUDJTA-UHFFFAOYSA-N 1 0 378.480 3.046 50 0 GGAARO Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000072151171 211075152 /nfs/dbraw/zinc/07/51/52/211075152.db2.gz AFANYCVDZXCROU-IOMROCGXSA-N 1 0 383.517 3.242 50 0 GGAARO COc1ccc([C@@H]2CN(c3ccc(C(C)=O)cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072150621 211075263 /nfs/dbraw/zinc/07/52/63/211075263.db2.gz JPBPUHASJNMCFV-MDNUFGMLSA-N 1 0 377.488 3.359 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3ccc(C)cc3)[nH+]c(C)n2)c1C ZINC000072117309 211068818 /nfs/dbraw/zinc/06/88/18/211068818.db2.gz KUBVCBAPPLFDTJ-UHFFFAOYSA-N 1 0 379.468 3.130 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc4occc4c3)CC2)C1 ZINC000071775759 211063467 /nfs/dbraw/zinc/06/34/67/211063467.db2.gz JNYJSAJBGFRVFN-LJQANCHMSA-N 1 0 381.520 3.388 50 0 GGAARO COc1ccnc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071754731 211057858 /nfs/dbraw/zinc/05/78/58/211057858.db2.gz FFJNGUJBBCOULZ-OAQYLSRUSA-N 1 0 385.483 3.488 50 0 GGAARO Cc1cc(Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)ccc1F ZINC000071771147 211062265 /nfs/dbraw/zinc/06/22/65/211062265.db2.gz BTAMUIHMOHBTNO-UHFFFAOYSA-N 1 0 380.467 3.056 50 0 GGAARO CCC1(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CCC1 ZINC000071762579 211061075 /nfs/dbraw/zinc/06/10/75/211061075.db2.gz ZASAIIGFFPUSEB-NRFANRHFSA-N 1 0 398.595 3.455 50 0 GGAARO Cc1cccc(NC(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071762449 211060681 /nfs/dbraw/zinc/06/06/81/211060681.db2.gz OVLSBRJWQRCXDX-IBGZPJMESA-N 1 0 398.551 3.326 50 0 GGAARO Cc1cccc(NC(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071762450 211060547 /nfs/dbraw/zinc/06/05/47/211060547.db2.gz OVLSBRJWQRCXDX-LJQANCHMSA-N 1 0 398.551 3.326 50 0 GGAARO CCc1nccn1CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071765457 211060565 /nfs/dbraw/zinc/06/05/65/211060565.db2.gz QKEIWSKJBSDPSD-FQEVSTJZSA-N 1 0 386.515 3.344 50 0 GGAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)sc1C ZINC000071762807 211059923 /nfs/dbraw/zinc/05/99/23/211059923.db2.gz FOYSGOKMVHUVAU-SFHVURJKSA-N 1 0 390.597 3.059 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCC1 ZINC000071754339 211059022 /nfs/dbraw/zinc/05/90/22/211059022.db2.gz UYQJANOHAUPDAL-NRFANRHFSA-N 1 0 384.568 3.161 50 0 GGAARO CC(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071746647 211053673 /nfs/dbraw/zinc/05/36/73/211053673.db2.gz IPGAFOLOWFWJLK-OAQYLSRUSA-N 1 0 386.584 3.263 50 0 GGAARO Cc1ccc(C(N)=O)c(N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071748773 211053593 /nfs/dbraw/zinc/05/35/93/211053593.db2.gz QVLVLGOHZFJVME-FQEVSTJZSA-N 1 0 384.499 3.365 50 0 GGAARO Cc1cnn(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071745181 211053406 /nfs/dbraw/zinc/05/34/06/211053406.db2.gz OCTXNEORGPVJNC-OAQYLSRUSA-N 1 0 386.515 3.480 50 0 GGAARO CC(C)CNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000071736313 211053161 /nfs/dbraw/zinc/05/31/61/211053161.db2.gz XCRYWOOEORTNGS-UHFFFAOYSA-N 1 0 384.524 3.281 50 0 GGAARO Cc1ccc(Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)cc1F ZINC000071745550 211053218 /nfs/dbraw/zinc/05/32/18/211053218.db2.gz JWLPUTSDROSAHB-UHFFFAOYSA-N 1 0 380.467 3.056 50 0 GGAARO CC[C@@H]1C[N@H+](Cc2ccccc2OCCO)CCC(=O)N1Cc1ccccc1 ZINC000071746572 211052889 /nfs/dbraw/zinc/05/28/89/211052889.db2.gz KZONNDSBZNUNJG-OAQYLSRUSA-N 1 0 382.504 3.071 50 0 GGAARO O=c1n(Cc2cccc3cccnc32)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071714776 211052431 /nfs/dbraw/zinc/05/24/31/211052431.db2.gz LYTRCWIAXVAORA-GOSISDBHSA-N 1 0 385.471 3.098 50 0 GGAARO O=C(NCc1cccs1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071730372 211052442 /nfs/dbraw/zinc/05/24/42/211052442.db2.gz LAVXRUFMDNWASU-IBGZPJMESA-N 1 0 398.576 3.136 50 0 GGAARO Cc1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071712251 211051403 /nfs/dbraw/zinc/05/14/03/211051403.db2.gz PBCUKUKYKVZRRV-LJQANCHMSA-N 1 0 398.551 3.326 50 0 GGAARO CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n(C)n1 ZINC000071750681 211055692 /nfs/dbraw/zinc/05/56/92/211055692.db2.gz AFHDSXNHHKRGPZ-VLCRHTCISA-N 1 0 378.520 3.246 50 0 GGAARO CC(C)C1(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071498570 211049634 /nfs/dbraw/zinc/04/96/34/211049634.db2.gz XBRNTHMSTIITEV-HXUWFJFHSA-N 1 0 384.568 3.063 50 0 GGAARO O=C(NC(C1CC1)C1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071524344 211049586 /nfs/dbraw/zinc/04/95/86/211049586.db2.gz YKPHELCHQMBIKA-OAQYLSRUSA-N 1 0 396.579 3.063 50 0 GGAARO O=c1n(Cc2ccc3ccccc3n2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071422358 211048473 /nfs/dbraw/zinc/04/84/73/211048473.db2.gz QJRHKBIHVQHKOD-SFHVURJKSA-N 1 0 385.471 3.098 50 0 GGAARO COc1ccc(Cl)cc1C(=O)NCCNc1cc(-n2cccc2)nc(C)[nH+]1 ZINC000090607808 211037055 /nfs/dbraw/zinc/03/70/55/211037055.db2.gz VBAXQTJHAZQOJE-UHFFFAOYSA-N 1 0 385.855 3.080 50 0 GGAARO COc1ccc2c(c1)C[C@H]([NH2+]CCN1N=C(c3ccccc3)CCC1=O)CC2 ZINC000067956297 211031965 /nfs/dbraw/zinc/03/19/65/211031965.db2.gz RDOBYDHXKCROIS-HXUWFJFHSA-N 1 0 377.488 3.169 50 0 GGAARO O=C([C@H]1CCC[NH2+]1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067954408 211031967 /nfs/dbraw/zinc/03/19/67/211031967.db2.gz CDXXVSWZBASGAA-HXUWFJFHSA-N 1 0 387.483 3.492 50 0 GGAARO O=C(C1CC[NH2+]CC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067974747 211032010 /nfs/dbraw/zinc/03/20/10/211032010.db2.gz GTLZDNXXOBYERL-UHFFFAOYSA-N 1 0 386.879 3.433 50 0 GGAARO CC(C)n1ccc(CN2CC[N@H+](C)C3(CCN(C(=O)c4ccco4)CC3)C2)c1 ZINC000067965280 211032075 /nfs/dbraw/zinc/03/20/75/211032075.db2.gz FYKILIONOOEMMO-UHFFFAOYSA-N 1 0 384.524 3.084 50 0 GGAARO COc1cccc(-c2cn3c(C(=O)NCC[C@@H]4CCC[N@@H+]4C)csc3n2)c1 ZINC000067964753 211031838 /nfs/dbraw/zinc/03/18/38/211031838.db2.gz VEIGWNVWSKULCQ-HNNXBMFYSA-N 1 0 384.505 3.286 50 0 GGAARO CSc1ccccc1OCc1cc(C(=O)N(C)C[C@]2(C)CC[N@H+](C)C2)no1 ZINC000067947309 211030654 /nfs/dbraw/zinc/03/06/54/211030654.db2.gz ZJMOHAGGZVHZPI-HXUWFJFHSA-N 1 0 389.521 3.389 50 0 GGAARO CCOc1ccc(CN2CCN(C)C3(CC[NH+](C)CC3)C2)c(OCC)c1C ZINC000067975261 211030798 /nfs/dbraw/zinc/03/07/98/211030798.db2.gz OJUHWDSAQAFYBN-UHFFFAOYSA-N 1 0 375.557 3.004 50 0 GGAARO O=S(=O)(Cc1ccc(Cl)cc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090609037 211036424 /nfs/dbraw/zinc/03/64/24/211036424.db2.gz RZFPVJGJVLJDML-KRWDZBQOSA-N 1 0 388.986 3.073 50 0 GGAARO O=C1CC[C@H]([NH2+]Cc2nncn2C2CCCCC2)CCN1Cc1ccccc1 ZINC000067983069 211032704 /nfs/dbraw/zinc/03/27/04/211032704.db2.gz WDALQOCHIJUWBQ-IBGZPJMESA-N 1 0 381.524 3.454 50 0 GGAARO COc1ccccc1-n1cc(C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)cn1 ZINC000067833877 211022564 /nfs/dbraw/zinc/02/25/64/211022564.db2.gz KHXJRVXJQFAJNF-UHFFFAOYSA-N 1 0 378.476 3.068 50 0 GGAARO Cc1nc2c(c(NCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n1)CC[NH2+]C2 ZINC000067818771 211023584 /nfs/dbraw/zinc/02/35/84/211023584.db2.gz ZYQCUONKBWQQQQ-UHFFFAOYSA-N 1 0 378.480 3.390 50 0 GGAARO O=C(NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000067910218 211029203 /nfs/dbraw/zinc/02/92/03/211029203.db2.gz WAGQNANKGUFKCL-KRWDZBQOSA-N 1 0 379.439 3.036 50 0 GGAARO Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)c3cccc(C)n3)CC2)nc1 ZINC000067895798 211029257 /nfs/dbraw/zinc/02/92/57/211029257.db2.gz GFPUHHKWVBUHDU-UHFFFAOYSA-N 1 0 378.520 3.363 50 0 GGAARO C[C@@H](NC(=O)c1coc(COc2cccc3cnccc32)n1)C1CC[NH+](C)CC1 ZINC000067908996 211029047 /nfs/dbraw/zinc/02/90/47/211029047.db2.gz VZWGGHQHKOLMOL-OAHLLOKOSA-N 1 0 394.475 3.262 50 0 GGAARO Cn1ncc2cc(NC(=O)c3cccc(C[N@H+](C)CC4(C)COC4)c3)ccc21 ZINC000067919644 211028708 /nfs/dbraw/zinc/02/87/08/211028708.db2.gz RBELXBZWVCHWQP-UHFFFAOYSA-N 1 0 378.476 3.294 50 0 GGAARO COc1ccc2[nH]c(C[NH2+][C@H]3CCC(=O)N(Cc4ccccc4)CC3)nc2c1 ZINC000067895445 211028457 /nfs/dbraw/zinc/02/84/57/211028457.db2.gz FWHRJBCHVASVQN-KRWDZBQOSA-N 1 0 378.476 3.242 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000067934776 211028521 /nfs/dbraw/zinc/02/85/21/211028521.db2.gz MITBPGNFRVHXFN-MRXNPFEDSA-N 1 0 394.475 3.216 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000067884746 211027837 /nfs/dbraw/zinc/02/78/37/211027837.db2.gz NADIGHABMZOYGL-QFIPXVFZSA-N 1 0 388.458 3.041 50 0 GGAARO CCn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CCc2ccccc2)C3)cn1 ZINC000067872990 211026711 /nfs/dbraw/zinc/02/67/11/211026711.db2.gz OEALEJFYBSJTOC-QHCPKHFHSA-N 1 0 380.536 3.350 50 0 GGAARO Cc1nc2cc(OCc3nc(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)co3)ccc2s1 ZINC000067872672 211026363 /nfs/dbraw/zinc/02/63/63/211026363.db2.gz CETNWOILNKBGBI-AWEZNQCLSA-N 1 0 398.488 3.092 50 0 GGAARO C[C@H](C[N@@H+]1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1)c1ccccc1 ZINC000067867644 211026437 /nfs/dbraw/zinc/02/64/37/211026437.db2.gz USQKWNVHENRELM-LJQANCHMSA-N 1 0 381.520 3.306 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCCc3c[nH]c4ccccc34)cnn2c1 ZINC000067880995 211026080 /nfs/dbraw/zinc/02/60/80/211026080.db2.gz YTPHEMGVEAUWKD-UHFFFAOYSA-N 1 0 390.491 3.025 50 0 GGAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000067842723 211025365 /nfs/dbraw/zinc/02/53/65/211025365.db2.gz GKSUJHCFSMMKDO-ZDUSSCGKSA-N 1 0 379.407 3.088 50 0 GGAARO COc1ccccc1C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067788819 211021406 /nfs/dbraw/zinc/02/14/06/211021406.db2.gz ZRJYWYKRMCBZSY-DEOSSOPVSA-N 1 0 396.531 3.462 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1F ZINC000067758578 211020873 /nfs/dbraw/zinc/02/08/73/211020873.db2.gz OKXYVFLUAXJXTP-QFIPXVFZSA-N 1 0 388.458 3.041 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)Cc3cccc(Cl)c3)cnn2c1 ZINC000067755187 211019123 /nfs/dbraw/zinc/01/91/23/211019123.db2.gz CZFALRVUPHYWMW-UHFFFAOYSA-N 1 0 385.899 3.497 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)Cc3cccnc3)C2=O)cc1 ZINC000067714262 211018123 /nfs/dbraw/zinc/01/81/23/211018123.db2.gz VRODQFBCGITNON-QHCPKHFHSA-N 1 0 381.520 3.191 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccnc4ccccc34)CC2)C1 ZINC000067805632 211022389 /nfs/dbraw/zinc/02/23/89/211022389.db2.gz IHPWKGNBBYEUBI-LJQANCHMSA-N 1 0 392.547 3.190 50 0 GGAARO COc1ncccc1C(=O)N1CCC(C[NH+]2CCCC2)(c2ccc(C)cn2)CC1 ZINC000067758150 211021987 /nfs/dbraw/zinc/02/19/87/211021987.db2.gz VTQKREGHLZXYEK-UHFFFAOYSA-N 1 0 394.519 3.063 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H]3c3nccs3)cnn2c1 ZINC000067789343 211021767 /nfs/dbraw/zinc/02/17/67/211021767.db2.gz KFJHVQTVTIOVJH-MRXNPFEDSA-N 1 0 384.509 3.005 50 0 GGAARO CCC(CC)N1C(=O)N[C@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C1=O ZINC000067473282 211009773 /nfs/dbraw/zinc/00/97/73/211009773.db2.gz JLKFJMQBUBGVEE-HXUWFJFHSA-N 1 0 377.916 3.361 50 0 GGAARO COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000067432968 211009222 /nfs/dbraw/zinc/00/92/22/211009222.db2.gz FBNKQUBHWBRAST-KRWDZBQOSA-N 1 0 382.508 3.181 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676849 211015375 /nfs/dbraw/zinc/01/53/75/211015375.db2.gz RZYHWEVKBBPNSH-QFIPXVFZSA-N 1 0 391.559 3.493 50 0 GGAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067643256 211013547 /nfs/dbraw/zinc/01/35/47/211013547.db2.gz DJGLVNLBLVQONJ-IBGZPJMESA-N 1 0 382.483 3.312 50 0 GGAARO CCNc1ncc(C[NH+]2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)cn1 ZINC000067640981 211013275 /nfs/dbraw/zinc/01/32/75/211013275.db2.gz ABPOWHNZZRIBAU-UHFFFAOYSA-N 1 0 377.492 3.249 50 0 GGAARO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067643257 211012536 /nfs/dbraw/zinc/01/25/36/211012536.db2.gz DJGLVNLBLVQONJ-LJQANCHMSA-N 1 0 382.483 3.312 50 0 GGAARO Cc1ncsc1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067542272 211011698 /nfs/dbraw/zinc/01/16/98/211011698.db2.gz CKYRFMXCKPEPMN-HXUWFJFHSA-N 1 0 398.576 3.197 50 0 GGAARO CC1(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)CCCCC1 ZINC000067514411 211011527 /nfs/dbraw/zinc/01/15/27/211011527.db2.gz VMOVWUFIEDUODG-UHFFFAOYSA-N 1 0 389.584 3.282 50 0 GGAARO Cc1cc(-n2nc(C(C)C)nc2[C@H]2CC(=O)N(c3cccc(O)c3)C2)cc[nH+]1 ZINC000065507077 210995338 /nfs/dbraw/zinc/99/53/38/210995338.db2.gz DMRCLNORIQMMCR-HNNXBMFYSA-N 1 0 377.448 3.320 50 0 GGAARO Cc1nn2c(nnc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395968 210786801 /nfs/dbraw/zinc/78/68/01/210786801.db2.gz UCJKQJQJCGMOBP-UHFFFAOYSA-N 1 0 396.882 3.020 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n(C)n2)cc1 ZINC000079189688 210775417 /nfs/dbraw/zinc/77/54/17/210775417.db2.gz GVSGTFNQYPQSJK-FXAWDEMLSA-N 1 0 382.508 3.090 50 0 biogenic GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1ccccc1Cl ZINC000039552493 210763512 /nfs/dbraw/zinc/76/35/12/210763512.db2.gz UVSBRUWHXGUEPN-KXBFYZLASA-N 1 0 393.865 3.097 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)CN1Cc1cccc(Cl)c1 ZINC000032561833 210576212 /nfs/dbraw/zinc/57/62/12/210576212.db2.gz CHSHMXVVGUYFCZ-SFTDATJTSA-N 1 0 385.939 3.436 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3nccs3)C2)cc1OC ZINC000023375112 210444975 /nfs/dbraw/zinc/44/49/75/210444975.db2.gz FHXQQYPOROAWNT-KRWDZBQOSA-N 1 0 375.538 3.299 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795168 210393482 /nfs/dbraw/zinc/39/34/82/210393482.db2.gz LQBOJUZEKQAJBI-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+](C)C)no2)cc1 ZINC000021807499 210396014 /nfs/dbraw/zinc/39/60/14/210396014.db2.gz UIOKZXHDCIEXEP-HXUWFJFHSA-N 1 0 395.459 3.392 50 0 GGAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020992542 210372491 /nfs/dbraw/zinc/37/24/91/210372491.db2.gz DQISYWSZAZLJBR-QFIPXVFZSA-N 1 0 394.494 3.285 50 0 GGAARO OCC[C@H]1C[N@H+](Cc2cccc3cnccc32)CCN1Cc1ccc(F)cc1 ZINC000020997645 210372523 /nfs/dbraw/zinc/37/25/23/210372523.db2.gz ASXSVPUGQUBXOZ-QFIPXVFZSA-N 1 0 379.479 3.443 50 0 GGAARO COc1ccc(Cc2noc(-c3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)nc3)n2)cc1 ZINC000020997953 210372195 /nfs/dbraw/zinc/37/21/95/210372195.db2.gz NHZCMOHZQGVLSK-GOSISDBHSA-N 1 0 391.475 3.015 50 0 GGAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020992538 210372219 /nfs/dbraw/zinc/37/22/19/210372219.db2.gz DQISYWSZAZLJBR-JOCHJYFZSA-N 1 0 394.494 3.285 50 0 GGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCN(CC)CC)C3 ZINC000020911140 210369593 /nfs/dbraw/zinc/36/95/93/210369593.db2.gz SNUVCRFRJLONES-HNNXBMFYSA-N 1 0 376.570 3.047 50 0 GGAARO c1ccc(N2CC[NH+]([C@H]3CCCN(Cc4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000020918463 210369751 /nfs/dbraw/zinc/36/97/51/210369751.db2.gz WSTDSZTVCKMECH-FQEVSTJZSA-N 1 0 375.520 3.350 50 0 GGAARO CC(C)[NH+]1CCN(c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)CC1 ZINC000020906448 210369408 /nfs/dbraw/zinc/36/94/08/210369408.db2.gz WTZKKERUGAIDFY-UHFFFAOYSA-N 1 0 381.455 3.392 50 0 GGAARO c1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4nc5ccccc5[nH]4)C3)CC2)cc1 ZINC000020918458 210369102 /nfs/dbraw/zinc/36/91/02/210369102.db2.gz WSTDSZTVCKMECH-HXUWFJFHSA-N 1 0 375.520 3.350 50 0 GGAARO COc1cc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cc(Cl)c1OC ZINC000020999449 210374519 /nfs/dbraw/zinc/37/45/19/210374519.db2.gz ATTQTYQICMJPAG-QGZVFWFLSA-N 1 0 382.932 3.026 50 0 GGAARO Cc1cc(I)ccc1OCCCC[NH+]1CCOCC1 ZINC000020653359 210355565 /nfs/dbraw/zinc/35/55/65/210355565.db2.gz AFUBPNMTXSYYGM-UHFFFAOYSA-N 1 0 375.250 3.091 50 0 GGAARO C[NH+]1CCN(Cn2cc(CCC(=O)N3CCCCCC3)c3ccccc32)CC1 ZINC000020648133 210356011 /nfs/dbraw/zinc/35/60/11/210356011.db2.gz WDNRIXBIQUMMGV-UHFFFAOYSA-N 1 0 382.552 3.181 50 0 GGAARO C[N@H+](CCc1cn[nH]c1)Cc1ccc(-c2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000020858805 210365125 /nfs/dbraw/zinc/36/51/25/210365125.db2.gz OPWVIHZWQPUYOZ-UHFFFAOYSA-N 1 0 377.370 3.266 50 0 GGAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C2CCCCC2)CC1 ZINC000020790237 210361814 /nfs/dbraw/zinc/36/18/14/210361814.db2.gz PVSXYKVYAGKFGE-UHFFFAOYSA-N 1 0 391.515 3.386 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3cccc(C)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020599526 210350451 /nfs/dbraw/zinc/35/04/51/210350451.db2.gz NDLFKLWAIDNOID-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO COc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537144 210346638 /nfs/dbraw/zinc/34/66/38/210346638.db2.gz AWIMQHAKEOOPSA-LJQANCHMSA-N 1 0 399.510 3.327 50 0 GGAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000020538900 210346700 /nfs/dbraw/zinc/34/67/00/210346700.db2.gz VWTRYPIDEXTHEY-QFIPXVFZSA-N 1 0 392.547 3.423 50 0 GGAARO COc1ccc(-c2noc(-c3ccc(N(C)C[C@H]4CCC[N@@H+]4C)nc3)n2)cc1 ZINC000020540180 210346295 /nfs/dbraw/zinc/34/62/95/210346295.db2.gz WQOLZBLNOHXHMJ-QGZVFWFLSA-N 1 0 379.464 3.338 50 0 GGAARO C[NH+](C)CCC[NH2+][C@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000020677129 210355061 /nfs/dbraw/zinc/35/50/61/210355061.db2.gz ILWVYSYHTQBPIL-NRFANRHFSA-N 1 0 381.476 3.414 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN1CCn2c3ccc(NC(=O)C(C)(C)C)cc3nc2C1 ZINC000020713942 210354670 /nfs/dbraw/zinc/35/46/70/210354670.db2.gz JJPQIYSVVCUIOD-QGZVFWFLSA-N 1 0 383.540 3.321 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(F)cc2)C1=O ZINC000020503870 210344206 /nfs/dbraw/zinc/34/42/06/210344206.db2.gz JAZMBBLHDCWETE-CQHJRZBDSA-N 1 0 393.462 3.428 50 0 GGAARO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2ccc(CO)o2)C[C@@]1(C)CO ZINC000020500647 210343420 /nfs/dbraw/zinc/34/34/20/210343420.db2.gz HTFJZRGUKAMCOD-CZAAIQMYSA-N 1 0 392.927 3.349 50 0 GGAARO COc1cc(C(C)=O)ccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020482417 210339620 /nfs/dbraw/zinc/33/96/20/210339620.db2.gz HPSUVFOUQCHFSP-UHFFFAOYSA-N 1 0 382.504 3.485 50 0 GGAARO OCC[NH+]1CCN(c2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)CC1 ZINC000020547000 210345428 /nfs/dbraw/zinc/34/54/28/210345428.db2.gz PTENQSNUMMHCQC-UHFFFAOYSA-N 1 0 399.498 3.178 50 0 GGAARO COc1ccc(-c2noc(-c3ccc(N(C)C[C@@H]4CCC[N@@H+]4C)nc3)n2)cc1 ZINC000020540177 210344882 /nfs/dbraw/zinc/34/48/82/210344882.db2.gz WQOLZBLNOHXHMJ-KRWDZBQOSA-N 1 0 379.464 3.338 50 0 GGAARO Cn1c2ccccc2nc1CN1CC[N@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000020536459 210345021 /nfs/dbraw/zinc/34/50/21/210345021.db2.gz BRIXOQFJUWVFPN-NRFANRHFSA-N 1 0 392.547 3.075 50 0 GGAARO CC[NH+]1CCN(CCCOc2ccc(C)cc2I)CC1 ZINC000020406268 210330929 /nfs/dbraw/zinc/33/09/29/210330929.db2.gz WGLNRXKQASVTJZ-UHFFFAOYSA-N 1 0 388.293 3.006 50 0 GGAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(Cl)c1OC ZINC000020351215 210329589 /nfs/dbraw/zinc/32/95/89/210329589.db2.gz ABUPFJXFQVPBJN-KRWDZBQOSA-N 1 0 382.932 3.168 50 0 GGAARO COc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(C)cc4)CC3)c2c1 ZINC000020353141 210328447 /nfs/dbraw/zinc/32/84/47/210328447.db2.gz VLONLABMZBDAOH-UHFFFAOYSA-N 1 0 378.472 3.428 50 0 biogenic,in-vitro GGAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCN(C)CC1)c(C)n2Cc1ccccc1 ZINC000020290502 210327270 /nfs/dbraw/zinc/32/72/70/210327270.db2.gz DWXLJJKNPWNOIK-HSZRJFAPSA-N 1 0 393.531 3.287 50 0 GGAARO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000020212327 210325186 /nfs/dbraw/zinc/32/51/86/210325186.db2.gz FXNRWJNGBKQLKM-UHFFFAOYSA-N 1 0 383.492 3.029 50 0 GGAARO CCOc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)cc1CO ZINC000020210186 210323051 /nfs/dbraw/zinc/32/30/51/210323051.db2.gz GPYWGKJGMHMQMI-QFIPXVFZSA-N 1 0 390.568 3.027 50 0 GGAARO COc1ccccc1/C=C/CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000020455260 210335006 /nfs/dbraw/zinc/33/50/06/210335006.db2.gz XKEAQMDRQXDRJN-WWPOYFSUSA-N 1 0 397.563 3.163 50 0 GGAARO COc1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000020451628 210334824 /nfs/dbraw/zinc/33/48/24/210334824.db2.gz KYXLEYHUGWTMRG-OAQYLSRUSA-N 1 0 395.547 3.490 50 0 GGAARO Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)c1 ZINC000020408173 210332203 /nfs/dbraw/zinc/33/22/03/210332203.db2.gz JNEYKSIBCOWMDE-HXUWFJFHSA-N 1 0 388.471 3.383 50 0 GGAARO CNc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)ccn1 ZINC000020206361 210322074 /nfs/dbraw/zinc/32/20/74/210322074.db2.gz DOFWGGDLEBWHQT-QFIPXVFZSA-N 1 0 382.483 3.391 50 0 GGAARO Cc1cc(C(F)(F)F)cc(N2CCC(Cn3cc(C(C)(C)[NH3+])nn3)CC2)n1 ZINC000020209881 210322181 /nfs/dbraw/zinc/32/21/81/210322181.db2.gz LKNDQOVDWCKQFM-UHFFFAOYSA-N 1 0 382.434 3.111 50 0 GGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1C ZINC000020203923 210321853 /nfs/dbraw/zinc/32/18/53/210321853.db2.gz AWQOJPLXXIKSGF-JOCHJYFZSA-N 1 0 399.558 3.446 50 0 GGAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](c4ccccc4)CC3)cn2)CC1 ZINC000020205954 210321640 /nfs/dbraw/zinc/32/16/40/210321640.db2.gz XPOUMCADEJUKLY-FQEVSTJZSA-N 1 0 378.520 3.243 50 0 GGAARO CC(C)[NH2+][C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2ccccc2)C1 ZINC000020168423 210321099 /nfs/dbraw/zinc/32/10/99/210321099.db2.gz UFSYQLYWJVWGLZ-IRLDBZIGSA-N 1 0 383.511 3.126 50 0 GGAARO COc1ccccc1N1CCC(N2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)CC1 ZINC000020209523 210320357 /nfs/dbraw/zinc/32/03/57/210320357.db2.gz IMVPNRHAFZBRAR-FQEVSTJZSA-N 1 0 389.584 3.079 50 0 GGAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3cc4c(cc3OC)OCO4)C2)c1 ZINC000019839888 210302826 /nfs/dbraw/zinc/30/28/26/210302826.db2.gz MMCWZPAHYBDYQO-GOSISDBHSA-N 1 0 384.476 3.187 50 0 GGAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@H](O)CO ZINC000019853000 210302726 /nfs/dbraw/zinc/30/27/26/210302726.db2.gz BYNLYDGBZXMKMC-FQEVSTJZSA-N 1 0 391.471 3.130 50 0 GGAARO c1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc5c(c4)CCO5)C3)CC2)cc1 ZINC000019839140 210302243 /nfs/dbraw/zinc/30/22/43/210302243.db2.gz ABSGIMMRKBUYFI-QHCPKHFHSA-N 1 0 377.532 3.408 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000019812313 210300741 /nfs/dbraw/zinc/30/07/41/210300741.db2.gz WZODJHLNWMZCJX-FQEVSTJZSA-N 1 0 387.499 3.352 50 0 GGAARO COc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)c(OC)c1OC ZINC000019831803 210299555 /nfs/dbraw/zinc/29/95/55/210299555.db2.gz VTJUJLDEBHIYSR-UHFFFAOYSA-N 1 0 384.520 3.463 50 0 GGAARO O=C1C[C@@H]([NH2+]CCc2ccccc2F)C(=O)N1c1ccc(Br)cc1 ZINC000019807901 210298789 /nfs/dbraw/zinc/29/87/89/210298789.db2.gz QQXHVPTUTBVXCK-MRXNPFEDSA-N 1 0 391.240 3.052 50 0 GGAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCCC1 ZINC000019794804 210298332 /nfs/dbraw/zinc/29/83/32/210298332.db2.gz WBULTWLSZDQQEY-UHFFFAOYSA-N 1 0 382.508 3.131 50 0 GGAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c1 ZINC000019792385 210298075 /nfs/dbraw/zinc/29/80/75/210298075.db2.gz SZWRKYQGGSRMKF-NRFANRHFSA-N 1 0 396.560 3.311 50 0 GGAARO c1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc5nonc5c4)C3)CC2)cc1 ZINC000019798631 210297877 /nfs/dbraw/zinc/29/78/77/210297877.db2.gz DRRUUJGUECSOQE-FQEVSTJZSA-N 1 0 377.492 3.009 50 0 GGAARO O=C(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000019913772 210306805 /nfs/dbraw/zinc/30/68/05/210306805.db2.gz BBTJFCGBNROGEG-QPJJXVBHSA-N 1 0 393.487 3.075 50 0 GGAARO CCN1CC[NH+](C2CCN(Cc3cc(Br)ccc3OC)CC2)CC1 ZINC000019921046 210306557 /nfs/dbraw/zinc/30/65/57/210306557.db2.gz TZSCQMKKAPJHJY-UHFFFAOYSA-N 1 0 396.373 3.060 50 0 GGAARO CCn1c2ccccc2c2cc(NC(=O)CSc3nc(N)cc(N)[nH+]3)ccc21 ZINC000019926878 210305896 /nfs/dbraw/zinc/30/58/96/210305896.db2.gz KKBWUPYDDVHGKO-UHFFFAOYSA-N 1 0 392.488 3.500 50 0 GGAARO Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000019880392 210304064 /nfs/dbraw/zinc/30/40/64/210304064.db2.gz RYZMAWBKYPOIGN-HKWRFOASSA-N 1 0 399.922 3.487 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1CC1CCCCC1 ZINC000019800532 210297311 /nfs/dbraw/zinc/29/73/11/210297311.db2.gz FZYTYLHOODBRJN-NRFANRHFSA-N 1 0 382.552 3.321 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO ZINC000019770726 210296675 /nfs/dbraw/zinc/29/66/75/210296675.db2.gz YEWYXNYYIGZOPK-FQEVSTJZSA-N 1 0 382.508 3.104 50 0 GGAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCc1ccncc1 ZINC000019790134 210296652 /nfs/dbraw/zinc/29/66/52/210296652.db2.gz UCUDSMHDYASRQN-UHFFFAOYSA-N 1 0 399.498 3.334 50 0 GGAARO COc1ccccc1N1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019790825 210296444 /nfs/dbraw/zinc/29/64/44/210296444.db2.gz LPZWKGIZZJBMTH-IBGZPJMESA-N 1 0 390.911 3.048 50 0 GGAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000019789819 210296131 /nfs/dbraw/zinc/29/61/31/210296131.db2.gz KCPKVPRGUWFJGU-DEOSSOPVSA-N 1 0 379.548 3.224 50 0 GGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019770837 210295376 /nfs/dbraw/zinc/29/53/76/210295376.db2.gz XLCUZBWPAQPECZ-QGZVFWFLSA-N 1 0 393.491 3.037 50 0 GGAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019790824 210295175 /nfs/dbraw/zinc/29/51/75/210295175.db2.gz LPZWKGIZZJBMTH-LJQANCHMSA-N 1 0 390.911 3.048 50 0 GGAARO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3cccc(C)n3)C1)CC2 ZINC000019761723 210294892 /nfs/dbraw/zinc/29/48/92/210294892.db2.gz AUFRPHWSXIVTRM-NRFANRHFSA-N 1 0 381.520 3.430 50 0 GGAARO CCc1c(C)nc(-c2cccc(C[N@H+](C)CCn3nc(C)cc3C)c2)[nH]c1=O ZINC000019758948 210294177 /nfs/dbraw/zinc/29/41/77/210294177.db2.gz OCDOSMNWCIIXFG-UHFFFAOYSA-N 1 0 379.508 3.253 50 0 GGAARO Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000019758910 210293563 /nfs/dbraw/zinc/29/35/63/210293563.db2.gz CURVGSWNCGULHT-OAQYLSRUSA-N 1 0 397.494 3.341 50 0 GGAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000019745996 210291646 /nfs/dbraw/zinc/29/16/46/210291646.db2.gz JMPNTTWEWDVZEY-AWEZNQCLSA-N 1 0 379.407 3.088 50 0 GGAARO OCC[C@@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C1CCCC1 ZINC000019741036 210291484 /nfs/dbraw/zinc/29/14/84/210291484.db2.gz CILXHROYNNXAHR-GOSISDBHSA-N 1 0 390.915 3.201 50 0 GGAARO CN(Cc1cc[nH]n1)C(=O)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000019595681 210275672 /nfs/dbraw/zinc/27/56/72/210275672.db2.gz VJXZQPSIPLHJCJ-UHFFFAOYSA-N 1 0 382.508 3.468 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cc1OC ZINC000019608246 210275510 /nfs/dbraw/zinc/27/55/10/210275510.db2.gz DOYUVUFQTQNDSR-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c1 ZINC000011821646 221130063 /nfs/dbraw/zinc/13/00/63/221130063.db2.gz FPFUSORNTRLMNM-QGZVFWFLSA-N 1 0 383.492 3.049 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCn4ccc(C)n4)C3)C2)c1 ZINC000011839873 221130891 /nfs/dbraw/zinc/13/08/91/221130891.db2.gz SMJSOEZFRJCKMT-HSZRJFAPSA-N 1 0 396.535 3.105 50 0 GGAARO CCOc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000011933104 221137730 /nfs/dbraw/zinc/13/77/30/221137730.db2.gz DZZPTTFYCYNJGQ-LJQANCHMSA-N 1 0 385.552 3.040 50 0 GGAARO Cn1cncc1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000011935457 221138520 /nfs/dbraw/zinc/13/85/20/221138520.db2.gz KPYJZEKFJNJISV-INIZCTEOSA-N 1 0 388.462 3.073 50 0 GGAARO O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000011934602 221139002 /nfs/dbraw/zinc/13/90/02/221139002.db2.gz JAHXVDICRJQHQH-NRFANRHFSA-N 1 0 390.491 3.088 50 0 GGAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(CCCc2ccccc2)C3=O)cn1 ZINC000011935022 221139323 /nfs/dbraw/zinc/13/93/23/221139323.db2.gz SARXBCGCXCQINU-QHCPKHFHSA-N 1 0 378.520 3.232 50 0 GGAARO Cc1csc(SCC(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000012703571 221220147 /nfs/dbraw/zinc/22/01/47/221220147.db2.gz ICDYYRZEQDGDAL-KRWDZBQOSA-N 1 0 387.574 3.292 50 0 GGAARO COc1ccc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cc1OCC[NH3+] ZINC000426477574 533284710 /nfs/dbraw/zinc/28/47/10/533284710.db2.gz NWAUIUXQNGJWIB-HNNXBMFYSA-N 1 0 394.475 3.256 50 0 GGAARO COc1cccc(-c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)cc2)c1 ZINC000426493162 533371457 /nfs/dbraw/zinc/37/14/57/533371457.db2.gz KONBUNJJEBJBGD-VXKWHMMOSA-N 1 0 380.488 3.033 50 0 GGAARO C[C@H](C1CCN(C(=O)NCCc2cccc(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000426707284 533590416 /nfs/dbraw/zinc/59/04/16/533590416.db2.gz VSVXLZGMHQHODF-MRXNPFEDSA-N 1 0 379.932 3.025 50 0 GGAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cc1O ZINC000426642865 533570851 /nfs/dbraw/zinc/57/08/51/533570851.db2.gz GMWRTBPOTUEAHV-RBDMOPTHSA-N 1 0 384.476 3.387 50 0 GGAARO C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@H](n4ccnc4)C3)CC2)cc1 ZINC000039454733 132391500 /nfs/dbraw/zinc/39/15/00/132391500.db2.gz KWCSLOJBJUSRCR-AVRDEDQJSA-N 1 0 393.535 3.314 50 0 GGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000039537159 132391702 /nfs/dbraw/zinc/39/17/02/132391702.db2.gz SSBXZXNBNXIHBM-SFHVURJKSA-N 1 0 380.471 3.177 50 0 GGAARO Cc1n[nH]c2c1CN(C(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000426691126 533672816 /nfs/dbraw/zinc/67/28/16/533672816.db2.gz CHZSPVXRQKPZSY-IBGZPJMESA-N 1 0 381.524 3.231 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccccc3C)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799755 136157776 /nfs/dbraw/zinc/15/77/76/136157776.db2.gz KTCRYTJPCBTFKP-UHFFFAOYSA-N 1 0 379.508 3.046 50 0 GGAARO Cc1c(C[N@H+]2CCN(c3ccccc3)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000065492814 136163978 /nfs/dbraw/zinc/16/39/78/136163978.db2.gz HNHWCQWIQBDYFF-SFHVURJKSA-N 1 0 376.504 3.195 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 ZINC000071639287 136165707 /nfs/dbraw/zinc/16/57/07/136165707.db2.gz SSENWBCTKBFTAQ-CQSZACIVSA-N 1 0 396.457 3.060 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3ncnc4c3CCC4)C2)CC1 ZINC000072173740 136167472 /nfs/dbraw/zinc/16/74/72/136167472.db2.gz DAJNGLIRYDLOPG-LJQANCHMSA-N 1 0 377.536 3.065 50 0 GGAARO Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN(C)CC[NH+]3CCCC3)cc2c1 ZINC000072422199 136169913 /nfs/dbraw/zinc/16/99/13/136169913.db2.gz CAOIOFMBAXSYCT-NRFANRHFSA-N 1 0 382.552 3.032 50 0 GGAARO Cn1ccnc1C[N@@H+]1CCCC12CCN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000072426564 136170027 /nfs/dbraw/zinc/17/00/27/136170027.db2.gz PHEFZVKJSBTAHS-UHFFFAOYSA-N 1 0 379.430 3.469 50 0 GGAARO COCC1CC[NH+](Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)CC1 ZINC000072428975 136170098 /nfs/dbraw/zinc/17/00/98/136170098.db2.gz YCPWLTMEYJKUAS-NRFANRHFSA-N 1 0 383.536 3.363 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000072438035 136170659 /nfs/dbraw/zinc/17/06/59/136170659.db2.gz CHZOSJVIEYLZGR-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO COc1cc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)cc2c1OCO2 ZINC000072454238 136171025 /nfs/dbraw/zinc/17/10/25/136171025.db2.gz QYZDYNQFNXNYAA-UHFFFAOYSA-N 1 0 381.476 3.454 50 0 GGAARO Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN3CC[NH+](C(C)C)CC3)cc2c1 ZINC000072480864 136171316 /nfs/dbraw/zinc/17/13/16/136171316.db2.gz RFHBMPWBRQYFPG-NRFANRHFSA-N 1 0 382.552 3.030 50 0 GGAARO Cc1cnc(CN2C[C@@]3(CCCN(c4cc(C)[nH+]c(C)c4)C3)CCC2=O)cn1 ZINC000077470685 136172211 /nfs/dbraw/zinc/17/22/11/136172211.db2.gz KACQAIDVDGNYKY-QFIPXVFZSA-N 1 0 379.508 3.206 50 0 GGAARO O=C(CC[NH+]1CCCC1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000082134582 136174029 /nfs/dbraw/zinc/17/40/29/136174029.db2.gz SRPGFYPXAOKLSD-UHFFFAOYSA-N 1 0 377.488 3.015 50 0 GGAARO C[C@@H](c1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)o1)[NH+]1CCCCC1 ZINC000082161703 136174240 /nfs/dbraw/zinc/17/42/40/136174240.db2.gz KCDREWKBZJZURC-KRWDZBQOSA-N 1 0 381.476 3.316 50 0 GGAARO Cc1nc(N2CCN(C(=O)CCCc3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000082230406 136174362 /nfs/dbraw/zinc/17/43/62/136174362.db2.gz SMKQYWDLVWLTJP-UHFFFAOYSA-N 1 0 393.535 3.057 50 0 GGAARO OCCC[C@@H]1CN(c2ccc3cccc(Cl)c3n2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091468521 136176562 /nfs/dbraw/zinc/17/65/62/136176562.db2.gz DITBSQYLDXXLEX-MJGOQNOKSA-N 1 0 389.927 3.188 50 0 GGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(c1cnc3ccccc3n1)CC2 ZINC000091755522 136177039 /nfs/dbraw/zinc/17/70/39/136177039.db2.gz LPBHMWKQCTVYPA-UHFFFAOYSA-N 1 0 376.508 3.363 50 0 GGAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ccc(Cl)cn1)C2 ZINC000095354304 136177835 /nfs/dbraw/zinc/17/78/35/136177835.db2.gz FJQHMGANFVZMDT-POAQFYNOSA-N 1 0 379.932 3.079 50 0 GGAARO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](C1CCN(c3ccc(F)cc3C)CC1)C2 ZINC000095359974 136178141 /nfs/dbraw/zinc/17/81/41/136178141.db2.gz DDOZABDJZIJWPM-WIYYLYMNSA-N 1 0 375.532 3.146 50 0 GGAARO CSc1nccc(N2CCC([NH2+][C@H](Cn3cccn3)c3ccccc3)CC2)n1 ZINC000095387802 136178916 /nfs/dbraw/zinc/17/89/16/136178916.db2.gz RRCMTRZLLKUXTC-LJQANCHMSA-N 1 0 394.548 3.395 50 0 GGAARO c1cn(Cc2cccnc2)c([C@H]2CCCN(c3cc(N4CCCC4)cn[nH+]3)C2)n1 ZINC000095504247 136180181 /nfs/dbraw/zinc/18/01/81/136180181.db2.gz ZBLIWSANNIBFFJ-IBGZPJMESA-N 1 0 389.507 3.101 50 0 GGAARO Cc1cc(N2CCC([N@@H+](C)Cc3cnn(C)c3)CC2)nc(-c2ccccc2)n1 ZINC000095521726 136181139 /nfs/dbraw/zinc/18/11/39/136181139.db2.gz OZCXLZRMRPROTA-UHFFFAOYSA-N 1 0 376.508 3.286 50 0 GGAARO CCCc1cncnc1N1CCC([NH2+]C[C@@H]2Cc3ccccc3CN2C)CC1 ZINC000095522452 136181275 /nfs/dbraw/zinc/18/12/75/136181275.db2.gz CLWHMBCQANPDFW-QFIPXVFZSA-N 1 0 379.552 3.044 50 0 GGAARO Cc1cc(N2CCC([N@H+](C)CCn3ccnc3)CC2)nc(-c2ccccc2)n1 ZINC000095524940 136181472 /nfs/dbraw/zinc/18/14/72/136181472.db2.gz GVAJQTZHBSNUCK-UHFFFAOYSA-N 1 0 376.508 3.249 50 0 GGAARO Cc1cccc2cc(CO)c(N3CCC[C@@H](c4nccn4CC[NH+](C)C)C3)nc12 ZINC000095526880 136181583 /nfs/dbraw/zinc/18/15/83/136181583.db2.gz RHGICLLQXQUPQI-LJQANCHMSA-N 1 0 393.535 3.178 50 0 GGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(N2CCOCC2)ccc1Cl ZINC000096131728 136184067 /nfs/dbraw/zinc/18/40/67/136184067.db2.gz OUYQILGPTDDUHH-MRXNPFEDSA-N 1 0 380.920 3.173 50 0 GGAARO O=C(NCc1ccccn1)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000096153417 136184741 /nfs/dbraw/zinc/18/47/41/136184741.db2.gz AHEYTHHLIFWPDB-UHFFFAOYSA-N 1 0 388.471 3.454 50 0 GGAARO Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(N2CC[NH2+]CC2)n1 ZINC000096319449 136186415 /nfs/dbraw/zinc/18/64/15/136186415.db2.gz WRHAVHZMSIQVQZ-UHFFFAOYSA-N 1 0 375.480 3.385 50 0 GGAARO CC[NH+](CC)Cc1cccc(NC(=O)N2CCN(c3ccccc3)C(=O)C2)c1 ZINC000097637858 136188599 /nfs/dbraw/zinc/18/85/99/136188599.db2.gz NKCPZRJEPFYVQI-UHFFFAOYSA-N 1 0 380.492 3.409 50 0 GGAARO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000002845973 136196536 /nfs/dbraw/zinc/19/65/36/136196536.db2.gz YOAWLSRJDRZYDN-UHFFFAOYSA-N 1 0 385.336 3.386 50 0 GGAARO Cc1c(C[N@H+]2CCN(c3ccccc3)C[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000106271107 136196797 /nfs/dbraw/zinc/19/67/97/136196797.db2.gz HNHWCQWIQBDYFF-GOSISDBHSA-N 1 0 376.504 3.195 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(c3ncccc3C(F)(F)F)C[C@H]2CCO)cc1 ZINC000107004800 136196999 /nfs/dbraw/zinc/19/69/99/136196999.db2.gz AHOHYXHPWFMQRS-QGZVFWFLSA-N 1 0 379.426 3.482 50 0 GGAARO O=C(Nc1ccccc1F)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697981 136199833 /nfs/dbraw/zinc/19/98/33/136199833.db2.gz IFBSGUCTDKAXGF-UHFFFAOYSA-N 1 0 393.426 3.108 50 0 GGAARO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012414247 136200223 /nfs/dbraw/zinc/20/02/23/136200223.db2.gz AHDCFDWLNFOWQI-AYOQOUSVSA-N 1 0 386.458 3.394 50 0 GGAARO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019811449 136202350 /nfs/dbraw/zinc/20/23/50/136202350.db2.gz BYVSFAAQILCDRA-SFHVURJKSA-N 1 0 391.309 3.011 50 0 GGAARO Cn1ncnc1CC[NH2+]C1CCN(c2cccc(-c3cccc(F)c3)c2)CC1 ZINC000019883029 136202594 /nfs/dbraw/zinc/20/25/94/136202594.db2.gz RLZCVKVMONTGAB-UHFFFAOYSA-N 1 0 379.483 3.422 50 0 GGAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NC1CCN(c2ccccc2F)CC1 ZINC000219936238 136204515 /nfs/dbraw/zinc/20/45/15/136204515.db2.gz RRWYBQOAKYGGIT-LJQANCHMSA-N 1 0 381.495 3.400 50 0 GGAARO COCc1nc(C2CC([NH3+])C2)cc(N2CCC(Oc3ccccc3F)CC2)n1 ZINC000223042748 136205586 /nfs/dbraw/zinc/20/55/86/136205586.db2.gz JCLQRCTUOCQQLE-UHFFFAOYSA-N 1 0 386.471 3.015 50 0 GGAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1F ZINC000023127698 221583011 /nfs/dbraw/zinc/58/30/11/221583011.db2.gz SVTGABATYVUPPD-UHFFFAOYSA-N 1 0 396.484 3.008 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000067588025 222149343 /nfs/dbraw/zinc/14/93/43/222149343.db2.gz SPNGMLCAMVZTKC-DEOSSOPVSA-N 1 0 391.515 3.244 50 0 GGAARO CCn1cc(C[N@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)cn1 ZINC000067588793 222149465 /nfs/dbraw/zinc/14/94/65/222149465.db2.gz HAHKVYSXBCEHEZ-QHCPKHFHSA-N 1 0 398.551 3.012 50 0 GGAARO Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc(N(C)C)[nH+]1 ZINC000067601939 222149616 /nfs/dbraw/zinc/14/96/16/222149616.db2.gz XUHWFKVASASPSR-UHFFFAOYSA-N 1 0 388.903 3.167 50 0 GGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2ccccc2C(F)(F)F)[nH+]1 ZINC000067601889 222150084 /nfs/dbraw/zinc/15/00/84/222150084.db2.gz UGWRJYKBGZOJAZ-UHFFFAOYSA-N 1 0 393.413 3.246 50 0 GGAARO COC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@@]4(CC[N@H+](C)C4)C3)cc2)c[nH]1 ZINC000426489385 533714593 /nfs/dbraw/zinc/71/45/93/533714593.db2.gz QLJJKNVVGLARKH-QFIPXVFZSA-N 1 0 381.476 3.026 50 0 GGAARO COc1ccccc1CN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000426487617 534070773 /nfs/dbraw/zinc/07/07/73/534070773.db2.gz WFESRSDLGCZPAR-SFHVURJKSA-N 1 0 385.483 3.498 50 0 GGAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 ZINC000426662234 534340391 /nfs/dbraw/zinc/34/03/91/534340391.db2.gz NLIGGRDGAIAWFU-JOCHJYFZSA-N 1 0 378.520 3.460 50 0 GGAARO Cc1nc2cc(-c3ccc(C(=O)N4CCO[C@@H](CC[NH3+])C4)cc3)ccc2s1 ZINC000426544890 534637409 /nfs/dbraw/zinc/63/74/09/534637409.db2.gz CIRORGDKFTXGNE-SFHVURJKSA-N 1 0 381.501 3.462 50 0 GGAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc(-c2ccc3ocnc3c2)cc1 ZINC000426530420 534813787 /nfs/dbraw/zinc/81/37/87/534813787.db2.gz LSPLYEFQRNZOIX-PMACEKPBSA-N 1 0 377.444 3.088 50 0 GGAARO O=C(C1CC[NH+](Cc2cccc(O)c2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000000819269 526303908 /nfs/dbraw/zinc/30/39/08/526303908.db2.gz DAZASQGXCRQFBC-UHFFFAOYSA-N 1 0 397.494 3.092 50 0 GGAARO CC(C)(C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426475426 526307395 /nfs/dbraw/zinc/30/73/95/526307395.db2.gz LXOYXTHHJWQUAW-OAQYLSRUSA-N 1 0 379.495 3.167 50 0 GGAARO CC(=O)NCc1cccc(-c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3C)cc2)c1 ZINC000426370927 526814183 /nfs/dbraw/zinc/81/41/83/526814183.db2.gz IMNALWNMUCVWRN-QFIPXVFZSA-N 1 0 379.504 3.204 50 0 GGAARO CC(=O)c1c(C)nn([C@@H](C)CC(=O)N(C)Cc2ccc3c(c2)C[N@@H+](C)C3)c1C ZINC000426574799 527171487 /nfs/dbraw/zinc/17/14/87/527171487.db2.gz FAYXXAWCSLBDHO-AWEZNQCLSA-N 1 0 382.508 3.258 50 0 GGAARO CC(=O)c1ccccc1-c1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000426581369 527390330 /nfs/dbraw/zinc/39/03/30/527390330.db2.gz YYNXCHNLYJIFRP-UHFFFAOYSA-N 1 0 380.488 3.133 50 0 GGAARO CCOc1c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1OC ZINC000426715824 528165833 /nfs/dbraw/zinc/16/58/33/528165833.db2.gz FGBPPDQUUSZHKA-KRWDZBQOSA-N 1 0 377.529 3.356 50 0 GGAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000426471047 528218555 /nfs/dbraw/zinc/21/85/55/528218555.db2.gz STTWSPALPAESGN-AWEZNQCLSA-N 1 0 377.920 3.480 50 0 GGAARO CCC(=O)c1cccc(-c2ccc(C(=O)NCC3(O)CC[NH+](C)CC3)cc2)c1 ZINC000426372296 528468530 /nfs/dbraw/zinc/46/85/30/528468530.db2.gz QSPAGDYPSWXERM-UHFFFAOYSA-N 1 0 380.488 3.133 50 0 GGAARO CC(C)Cc1nc(CN(C)C(=O)NCC2([NH+]3CCCCC3)CCCC2)no1 ZINC000426504674 528667519 /nfs/dbraw/zinc/66/75/19/528667519.db2.gz XXGLUOBOXBXYAE-UHFFFAOYSA-N 1 0 377.533 3.208 50 0 GGAARO CCN(Cc1noc(C2CCC2)n1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000426602586 528893669 /nfs/dbraw/zinc/89/36/69/528893669.db2.gz YWFAYRYGEVJLBL-MRXNPFEDSA-N 1 0 387.484 3.299 50 0 GGAARO CCN(Cc1noc(C2CCC2)n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426563514 528893720 /nfs/dbraw/zinc/89/37/20/528893720.db2.gz SURHFYUNLXBVQG-SFHVURJKSA-N 1 0 383.496 3.143 50 0 GGAARO CC[NH+]1CCC(N(CCc2ccccn2)C(=O)NCc2nc(C)cs2)CC1 ZINC000426489611 528973843 /nfs/dbraw/zinc/97/38/43/528973843.db2.gz JTSYLLDOKSGZDT-UHFFFAOYSA-N 1 0 387.553 3.085 50 0 GGAARO CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)C[NH2+]C ZINC000426359813 529005790 /nfs/dbraw/zinc/00/57/90/529005790.db2.gz NDJSIOGZHOYZNN-NRFANRHFSA-N 1 0 379.504 3.307 50 0 GGAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000426606779 529011433 /nfs/dbraw/zinc/01/14/33/529011433.db2.gz RHOOIXXLKOIFAW-IBGZPJMESA-N 1 0 378.948 3.042 50 0 GGAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000426472726 529072546 /nfs/dbraw/zinc/07/25/46/529072546.db2.gz KKCBHKHKECSRCE-MRXNPFEDSA-N 1 0 379.932 3.063 50 0 GGAARO CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426419803 529120464 /nfs/dbraw/zinc/12/04/64/529120464.db2.gz PPPPCGKFPBTCNR-OAQYLSRUSA-N 1 0 379.495 3.167 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(c2ncccc2Cl)CC1 ZINC000096179929 535599453 /nfs/dbraw/zinc/59/94/53/535599453.db2.gz BZAGDEASNZTASD-KRWDZBQOSA-N 1 0 378.948 3.332 50 0 GGAARO CCCn1ncnc1[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095389317 535651660 /nfs/dbraw/zinc/65/16/60/535651660.db2.gz BPFFJLTWCUUZNS-ZDUSSCGKSA-N 1 0 382.434 3.422 50 0 GGAARO CCc1cnc(C)nc1N1CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000095511686 536019229 /nfs/dbraw/zinc/01/92/29/536019229.db2.gz PRPJDQIXJXRWCV-UHFFFAOYSA-N 1 0 376.508 3.292 50 0 GGAARO C[NH+]1CCN(c2ccc(NC(=O)COc3cccc4c3CCCC4)cc2)CC1 ZINC000072442430 536423112 /nfs/dbraw/zinc/42/31/12/536423112.db2.gz IFCOMJUMBLWHOR-UHFFFAOYSA-N 1 0 379.504 3.335 50 0 GGAARO COc1cccc(-c2cccc(N3CCC([N@@H+]4CCO[C@H](CCO)C4)CC3)c2)c1 ZINC000023158974 537065764 /nfs/dbraw/zinc/06/57/64/537065764.db2.gz COBAMTOFKNJOHN-XMMPIXPASA-N 1 0 396.531 3.414 50 0 GGAARO 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 ZINC000038149089 560086129 /nfs/dbraw/zinc/08/61/29/560086129.db2.gz GYOGHROCTSEKDY-JJDZUBOLSA-N 1 0 375.509 3.015 50 0 biogenic,in-vitro GGAARO C[NH+](C)CCC(=O)O[C@H]1CCCC[C@@H]1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000004474711 564203538 /nfs/dbraw/zinc/20/35/38/564203538.db2.gz DEJVZAYUUCJCJY-IRXDYDNUSA-N 1 0 387.929 3.061 50 0 GGAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000004657447 564205014 /nfs/dbraw/zinc/20/50/14/564205014.db2.gz IMGMBCCOKVGZLZ-LBPRGKRZSA-N 1 0 393.281 3.173 50 0 GGAARO CC1(C)CC(NC(=O)c2ccccc2I)CC(C)(C)[NH2+]1 ZINC000004721972 564206622 /nfs/dbraw/zinc/20/66/22/564206622.db2.gz GGJKZWGPIWLBOW-UHFFFAOYSA-N 1 0 386.277 3.330 50 0 GGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOc2ccccc2Br)C1 ZINC000004942409 564209300 /nfs/dbraw/zinc/20/93/00/564209300.db2.gz VMUMPMNLXWFPPX-XHSDSOJGSA-N 1 0 386.330 3.183 50 0 GGAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Br)c1OCc1cccnc1 ZINC000004942938 564209355 /nfs/dbraw/zinc/20/93/55/564209355.db2.gz DRCKUILREFWNIU-UHFFFAOYSA-N 1 0 395.297 3.292 50 0 GGAARO COc1ccc(NC(=O)Nc2nnc(SCC[NH+]3CCCC3)s2)cc1 ZINC000005253326 564214208 /nfs/dbraw/zinc/21/42/08/564214208.db2.gz HTOZYRJTZJWVIC-UHFFFAOYSA-N 1 0 379.511 3.379 50 0 GGAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000005559794 564217345 /nfs/dbraw/zinc/21/73/45/564217345.db2.gz YTGSFLLFXSOZOS-CQSZACIVSA-N 1 0 376.280 3.008 50 0 GGAARO O=C(COc1ccc(Br)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000006432192 564224434 /nfs/dbraw/zinc/22/44/34/564224434.db2.gz HGEGUYDXDMRMCB-MRXNPFEDSA-N 1 0 393.281 3.374 50 0 GGAARO CC(C)Sc1nc2c3c(sc2c(N2CC[NH2+]CC2)n1)CC(C)(C)OC3 ZINC000006764323 564227085 /nfs/dbraw/zinc/22/70/85/564227085.db2.gz GSKHERHFTJABHF-UHFFFAOYSA-N 1 0 378.567 3.453 50 0 GGAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000008814408 564250801 /nfs/dbraw/zinc/25/08/01/564250801.db2.gz MHWPYEBNNDESTK-UHFFFAOYSA-N 1 0 392.897 3.149 50 0 GGAARO CCOc1c(Br)cc(C[NH2+][C@@H](CC)CO)cc1Br ZINC000010435758 564258125 /nfs/dbraw/zinc/25/81/25/564258125.db2.gz PRAVLNNQEIHYPV-JTQLQIEISA-N 1 0 381.108 3.471 50 0 GGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000010544034 564259042 /nfs/dbraw/zinc/25/90/42/564259042.db2.gz RHXPYLXXCXAYRG-ZIAGYGMSSA-N 1 0 389.359 3.095 50 0 GGAARO Cn1nccc1C(=O)N(CCC[NH+](C)C)c1nc2c(cccc2Cl)s1 ZINC000011695045 564265023 /nfs/dbraw/zinc/26/50/23/564265023.db2.gz JZSSIUNCNVCQRH-UHFFFAOYSA-N 1 0 377.901 3.282 50 0 GGAARO C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)NC1CC[NH+](C)CC1 ZINC000012380610 564267319 /nfs/dbraw/zinc/26/73/19/564267319.db2.gz JHHLBDHAANDLKL-SNVBAGLBSA-N 1 0 375.694 3.080 50 0 GGAARO O[C@@H](COc1ccc(Br)cc1Br)C[NH+]1CCCCC1 ZINC000012420303 564268256 /nfs/dbraw/zinc/26/82/56/564268256.db2.gz XFENTMBHMAFAAY-GFCCVEGCSA-N 1 0 393.119 3.437 50 0 GGAARO O[C@H](C[NH2+]C1CCCC1)COc1ccc(Br)cc1Br ZINC000012420354 564268327 /nfs/dbraw/zinc/26/83/27/564268327.db2.gz YMLXDJPYSQIXBO-GFCCVEGCSA-N 1 0 393.119 3.484 50 0 GGAARO O[C@@H](C[NH2+]C1CCCC1)COc1ccc(Br)cc1Br ZINC000012420353 564268334 /nfs/dbraw/zinc/26/83/34/564268334.db2.gz YMLXDJPYSQIXBO-LBPRGKRZSA-N 1 0 393.119 3.484 50 0 GGAARO C[NH2+]C1(c2nnnn2-c2ccc(Br)cc2)C2CC3CC(C2)CC1C3 ZINC000035622322 564416374 /nfs/dbraw/zinc/41/63/74/564416374.db2.gz JITVMTGSVIIGKV-UHFFFAOYSA-N 1 0 388.313 3.296 50 0 GGAARO O=S(=O)(Cc1ccc(F)cc1)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104149 564863126 /nfs/dbraw/zinc/86/31/26/564863126.db2.gz HGWULCWMPLWDGH-UHFFFAOYSA-N 1 0 382.526 3.186 50 0 GGAARO O=S(=O)(c1ccccc1)N(C1CC1)C1CC[NH+](C2CCSCC2)CC1 ZINC000243932045 565986171 /nfs/dbraw/zinc/98/61/71/565986171.db2.gz BRSQBZIIGGCAJM-UHFFFAOYSA-N 1 0 380.579 3.200 50 0 GGAARO Cc1csc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000670455693 566363339 /nfs/dbraw/zinc/36/33/39/566363339.db2.gz LPGNYDMOZQHAAC-GOSISDBHSA-N 1 0 378.563 3.290 50 0 GGAARO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1 ZINC000048170774 570219778 /nfs/dbraw/zinc/21/97/78/570219778.db2.gz QGOQPSRGUMBSCE-GOSISDBHSA-N 1 0 390.487 3.357 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)cc1C ZINC000104358418 570257065 /nfs/dbraw/zinc/25/70/65/570257065.db2.gz UMDLWZUXVZAGRT-LJQANCHMSA-N 1 0 390.474 3.351 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(O)c3)C[C@H]2CCO)c(C)c1C ZINC000104358476 570257107 /nfs/dbraw/zinc/25/71/07/570257107.db2.gz NSCSYUUUVCTZCB-OAQYLSRUSA-N 1 0 384.520 3.086 50 0 GGAARO COc1ccc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)c(Cl)c1OC ZINC000104329048 570257128 /nfs/dbraw/zinc/25/71/28/570257128.db2.gz NOXNXBAMWDNAQK-QGZVFWFLSA-N 1 0 382.932 3.192 50 0 GGAARO COc1cc(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CCO)cc(OC)c1 ZINC000104363837 570257324 /nfs/dbraw/zinc/25/73/24/570257324.db2.gz NAMLHHQXAPISTO-JOCHJYFZSA-N 1 0 398.547 3.205 50 0 GGAARO CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cc4ccccc4o3)C[C@H]2CCO)CC1 ZINC000104448356 570258390 /nfs/dbraw/zinc/25/83/90/570258390.db2.gz NZPFQBMQTPPIFH-OAQYLSRUSA-N 1 0 385.552 3.174 50 0 GGAARO CCOc1ccccc1CN1CCN(Cc2cccc(F)c2F)C[C@H]1CCO ZINC000104447184 570258745 /nfs/dbraw/zinc/25/87/45/570258745.db2.gz DIQZMEQQZWSSAZ-LJQANCHMSA-N 1 0 390.474 3.432 50 0 GGAARO COc1cc(Cl)cc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)c1OC ZINC000104415619 570258835 /nfs/dbraw/zinc/25/88/35/570258835.db2.gz GUVAESQDATZJGS-GOSISDBHSA-N 1 0 384.948 3.272 50 0 GGAARO CSc1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104476353 570259363 /nfs/dbraw/zinc/25/93/63/570259363.db2.gz AHWZDAZJYKFEJA-OAQYLSRUSA-N 1 0 391.625 3.150 50 0 GGAARO CC(C)C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1CCO ZINC000104469837 570259424 /nfs/dbraw/zinc/25/94/24/570259424.db2.gz WHCAINUQMRSXMV-LJQANCHMSA-N 1 0 376.932 3.255 50 0 GGAARO COc1ccc(OC)c(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000104528100 570260036 /nfs/dbraw/zinc/26/00/36/570260036.db2.gz NTIHTWZTNDWIIV-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000583652798 570262538 /nfs/dbraw/zinc/26/25/38/570262538.db2.gz WTNPVRFIJAZJAH-IRLDBZIGSA-N 1 0 388.552 3.367 50 0 biogenic GGAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000584901936 570271413 /nfs/dbraw/zinc/27/14/13/570271413.db2.gz CVAKOYZRNSEZJZ-KRWDZBQOSA-N 1 0 383.496 3.285 50 0 GGAARO COCC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000584902351 570271762 /nfs/dbraw/zinc/27/17/62/570271762.db2.gz SSJDCUDBYDUOCD-LJQANCHMSA-N 1 0 377.504 3.391 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 ZINC000584903559 570273999 /nfs/dbraw/zinc/27/39/99/570273999.db2.gz FVPUFDYGMOEPNI-GOSISDBHSA-N 1 0 398.507 3.140 50 0 GGAARO Cc1coc2cc3oc(=O)c(CC(=O)NCC(C)(C)C[NH+](C)C)c(C)c3cc12 ZINC000012898513 570287277 /nfs/dbraw/zinc/28/72/77/570287277.db2.gz ZKNBJCVJUZMBFL-UHFFFAOYSA-N 1 0 384.476 3.403 50 0 biogenic GGAARO COC(=O)c1n[nH]cc1CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000102687186 570291450 /nfs/dbraw/zinc/29/14/50/570291450.db2.gz DJSVTXWPDWCJHW-QFIPXVFZSA-N 1 0 382.508 3.075 50 0 GGAARO C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000215831180 570292024 /nfs/dbraw/zinc/29/20/24/570292024.db2.gz KAIBUFNFJKRDJQ-GOSISDBHSA-N 1 0 383.458 3.224 50 0 GGAARO CC(C)Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)nc(N)n1 ZINC000215857303 570292759 /nfs/dbraw/zinc/29/27/59/570292759.db2.gz ATKVCDVTSYBFKS-FQEVSTJZSA-N 1 0 381.524 3.214 50 0 GGAARO CCN(CCSc1ccc(C)cc1)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000215906963 570293203 /nfs/dbraw/zinc/29/32/03/570293203.db2.gz PAKZQXBKEDWRQX-FQEVSTJZSA-N 1 0 375.582 3.152 50 0 GGAARO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](CO)C2)c2ccc(Cl)cc2n1 ZINC000216038330 570295015 /nfs/dbraw/zinc/29/50/15/570295015.db2.gz JINYWVXQQMSWAD-OAHLLOKOSA-N 1 0 375.900 3.021 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1Cn1cncn1 ZINC000012300949 570299058 /nfs/dbraw/zinc/29/90/58/570299058.db2.gz VLRCFPWRZFVFID-NRFANRHFSA-N 1 0 377.492 3.412 50 0 GGAARO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000021982299 570300822 /nfs/dbraw/zinc/30/08/22/570300822.db2.gz UKFHOTNATOJBKZ-ACRUOGEOSA-N 1 0 384.520 3.443 50 0 in-vitro GGAARO COC(=O)C(=O)c1cn(C2CC[NH+](Cc3ccccn3)CC2)c2ccccc12 ZINC000022012615 570301535 /nfs/dbraw/zinc/30/15/35/570301535.db2.gz VSLDBHPORNGBPB-UHFFFAOYSA-N 1 0 377.444 3.229 50 0 GGAARO Cc1ccccc1-c1ccc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107402447 570309368 /nfs/dbraw/zinc/30/93/68/570309368.db2.gz OSBRNLJOKIOXFB-XMMPIXPASA-N 1 0 377.532 3.448 50 0 GGAARO C[N@@H+]1CCN(Cc2cccc(Oc3ccccc3)c2)C[C@@]12CCNC(=O)CC2 ZINC000107404182 570309453 /nfs/dbraw/zinc/30/94/53/570309453.db2.gz WTYQEAJHPWXOES-HSZRJFAPSA-N 1 0 379.504 3.265 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1C ZINC000022852909 570331358 /nfs/dbraw/zinc/33/13/58/570331358.db2.gz ASLQLRLBGIIMRA-JOCHJYFZSA-N 1 0 398.547 3.389 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)cc1 ZINC000022914519 570334643 /nfs/dbraw/zinc/33/46/43/570334643.db2.gz YHZKZBSIWQKESJ-QFIPXVFZSA-N 1 0 390.531 3.250 50 0 GGAARO CCOc1ccc2nc(CN3CC[N@H+](CC=C(C)C)[C@@H](CCO)C3)ccc2c1 ZINC000022914413 570334650 /nfs/dbraw/zinc/33/46/50/570334650.db2.gz UUMZKTQBLAEJPW-NRFANRHFSA-N 1 0 383.536 3.468 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000022932675 570337552 /nfs/dbraw/zinc/33/75/52/570337552.db2.gz HOSFHJNTRIXBED-IBGZPJMESA-N 1 0 382.533 3.003 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1C1CCCC1 ZINC000022932789 570337606 /nfs/dbraw/zinc/33/76/06/570337606.db2.gz ZWOWGDHQOBVHRU-HXUWFJFHSA-N 1 0 382.508 3.080 50 0 GGAARO CC[NH+](CC)CCN(C(=O)c1ccn(C)n1)c1nc2c(cccc2F)s1 ZINC000011695507 570343594 /nfs/dbraw/zinc/34/35/94/570343594.db2.gz XQMBYQMFMUMWII-UHFFFAOYSA-N 1 0 375.473 3.158 50 0 GGAARO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000023116770 570344535 /nfs/dbraw/zinc/34/45/35/570344535.db2.gz KKQWOVHLTBOBKH-PZJWPPBQSA-N 1 0 383.879 3.011 50 0 GGAARO Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c(C)c1 ZINC000035360211 570344672 /nfs/dbraw/zinc/34/46/72/570344672.db2.gz IMSCQYKLRWYMAC-QFIPXVFZSA-N 1 0 391.515 3.195 50 0 GGAARO CC[NH+]1CCN(c2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn32)CC1 ZINC000023118908 570344982 /nfs/dbraw/zinc/34/49/82/570344982.db2.gz IONQMRYYSMTWAK-UHFFFAOYSA-N 1 0 395.507 3.172 50 0 GGAARO Cc1cccc(NC(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)c1C ZINC000011697832 570344964 /nfs/dbraw/zinc/34/49/64/570344964.db2.gz WJOWRLUHPITTAA-UHFFFAOYSA-N 1 0 377.452 3.466 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@@H+]1CCc1ccccc1 ZINC000023128576 570345288 /nfs/dbraw/zinc/34/52/88/570345288.db2.gz ZDYGXPUHPZKTTE-JOCHJYFZSA-N 1 0 393.506 3.485 50 0 GGAARO Cc1nccn1CCC(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000023251561 570352845 /nfs/dbraw/zinc/35/28/45/570352845.db2.gz LKAOIYNLJOCRQJ-UHFFFAOYSA-N 1 0 386.515 3.134 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@@H]2CCO)c(F)c1 ZINC000023361274 570356760 /nfs/dbraw/zinc/35/67/60/570356760.db2.gz AAYJRLRPJHWZOJ-KRWDZBQOSA-N 1 0 378.513 3.273 50 0 GGAARO Cc1cc(NC(=O)Cn2cc(-c3ccc(C[NH3+])s3)cn2)n(-c2ccccc2)n1 ZINC000023368772 570357125 /nfs/dbraw/zinc/35/71/25/570357125.db2.gz FPMBMHMVUVZECG-UHFFFAOYSA-N 1 0 392.488 3.203 50 0 GGAARO Nc1cc(N)[nH+]c(SCc2nc(C(c3ccccc3)c3ccccc3)no2)n1 ZINC000004107083 570357250 /nfs/dbraw/zinc/35/72/50/570357250.db2.gz KUBYVUQDROAWOL-UHFFFAOYSA-N 1 0 390.472 3.497 50 0 GGAARO COc1ccc(OC)c(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000023372886 570357723 /nfs/dbraw/zinc/35/77/23/570357723.db2.gz NTIHTWZTNDWIIV-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO CCn1ccnc1CN1CCC[C@H]([N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023373381 570357733 /nfs/dbraw/zinc/35/77/33/570357733.db2.gz XPTIYWRWNCKLBW-IBGZPJMESA-N 1 0 386.540 3.059 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@@H]2CCO)c1 ZINC000023374960 570358221 /nfs/dbraw/zinc/35/82/21/570358221.db2.gz RTJYSDIYPZVKNV-NRFANRHFSA-N 1 0 393.531 3.256 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c1 ZINC000023375394 570358719 /nfs/dbraw/zinc/35/87/19/570358719.db2.gz ASPGUHCQLIFRGD-FQEVSTJZSA-N 1 0 379.504 3.245 50 0 GGAARO CCC([NH3+])(CC)c1cn(C2CCN(C(=O)NC3CCCCCC3)CC2)nn1 ZINC000023398319 570360501 /nfs/dbraw/zinc/36/05/01/570360501.db2.gz PCGHCPJEVWNHEB-UHFFFAOYSA-N 1 0 376.549 3.321 50 0 GGAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000023478223 570363220 /nfs/dbraw/zinc/36/32/20/570363220.db2.gz RYVJPJWDZBPUJO-LJQANCHMSA-N 1 0 397.544 3.360 50 0 GGAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCN1CCOCC1 ZINC000023468452 570363290 /nfs/dbraw/zinc/36/32/90/570363290.db2.gz QUUHYGJFKGAQHE-UHFFFAOYSA-N 1 0 378.875 3.480 50 0 GGAARO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004279617 570365402 /nfs/dbraw/zinc/36/54/02/570365402.db2.gz XLRIGJMMMKZWPX-OAQYLSRUSA-N 1 0 383.488 3.168 50 0 GGAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575619336 570367279 /nfs/dbraw/zinc/36/72/79/570367279.db2.gz DERXZLHZQKFTBQ-QGZVFWFLSA-N 1 0 395.459 3.107 50 0 GGAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000004347361 570369975 /nfs/dbraw/zinc/36/99/75/570369975.db2.gz LJPCGAFEOFLDDB-UHFFFAOYSA-N 1 0 399.438 3.258 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 ZINC000575621767 570370582 /nfs/dbraw/zinc/37/05/82/570370582.db2.gz UCDNUGUIZVNRBT-MRXNPFEDSA-N 1 0 385.851 3.444 50 0 GGAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)cc1 ZINC000022787393 570377130 /nfs/dbraw/zinc/37/71/30/570377130.db2.gz SCLVBNMQSYWZSX-GOSISDBHSA-N 1 0 389.540 3.037 50 0 GGAARO C[NH+](C)CCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000004512218 570380584 /nfs/dbraw/zinc/38/05/84/570380584.db2.gz PNLUPCFFNSNUEG-XDJHFCHBSA-N 1 0 385.895 3.179 50 0 GGAARO CCOC(=O)C(CCSC)(CC[N@H+](C)Cc1ccccc1)C(=O)OCC ZINC000004578781 570386058 /nfs/dbraw/zinc/38/60/58/570386058.db2.gz BFNTXLMUCPTFQK-UHFFFAOYSA-N 1 0 381.538 3.374 50 0 GGAARO CCOc1cc(C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)ccc1O ZINC000004603560 570386859 /nfs/dbraw/zinc/38/68/59/570386859.db2.gz ZQPCWXCZOZBYNU-UHFFFAOYSA-N 1 0 398.503 3.328 50 0 GGAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000221406296 570394453 /nfs/dbraw/zinc/39/44/53/570394453.db2.gz PAHUIQKHTGKEKL-IBGZPJMESA-N 1 0 376.460 3.185 50 0 GGAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004700359 570394562 /nfs/dbraw/zinc/39/45/62/570394562.db2.gz JVBQSVVWIGIZEV-UHFFFAOYSA-N 1 0 395.522 3.382 50 0 GGAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000004703414 570395273 /nfs/dbraw/zinc/39/52/73/570395273.db2.gz YTIMNAYNMINREN-UHFFFAOYSA-N 1 0 397.494 3.261 50 0 GGAARO Cc1cccc(OCC(=O)N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000004703423 570395284 /nfs/dbraw/zinc/39/52/84/570395284.db2.gz CFHYQIQLYNISAL-UHFFFAOYSA-N 1 0 393.531 3.187 50 0 GGAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000004703408 570395435 /nfs/dbraw/zinc/39/54/35/570395435.db2.gz JACZBOIXIDKAIT-UHFFFAOYSA-N 1 0 379.504 3.122 50 0 GGAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004707015 570396266 /nfs/dbraw/zinc/39/62/66/570396266.db2.gz XUJDNOUKQZPPKF-UHFFFAOYSA-N 1 0 381.495 3.387 50 0 GGAARO Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000004741345 570400840 /nfs/dbraw/zinc/40/08/40/570400840.db2.gz NFDICWKMUBZCLI-UHFFFAOYSA-N 1 0 375.480 3.385 50 0 GGAARO O=C1C[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000004784479 570405660 /nfs/dbraw/zinc/40/56/60/570405660.db2.gz QCCAYZMMKBKNEH-OAQYLSRUSA-N 1 0 380.463 3.375 50 0 GGAARO COCCn1nnnc1[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CC=CCC1 ZINC000033730485 570408408 /nfs/dbraw/zinc/40/84/08/570408408.db2.gz UWLLNCQHVLXHCQ-OXJNMPFZSA-N 1 0 380.496 3.031 50 0 GGAARO COCCn1nnnc1[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CC=CCC1 ZINC000033730487 570408413 /nfs/dbraw/zinc/40/84/13/570408413.db2.gz UWLLNCQHVLXHCQ-OXQOHEQNSA-N 1 0 380.496 3.031 50 0 GGAARO COc1ccccc1-c1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)n(C)n1 ZINC000252539691 570419721 /nfs/dbraw/zinc/41/97/21/570419721.db2.gz OJCSZXRGAQMWEK-VQIMIIECSA-N 1 0 382.508 3.090 50 0 GGAARO Cn1nnnc1SCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000004993862 570422313 /nfs/dbraw/zinc/42/23/13/570422313.db2.gz QPGOBLUKOSGNHM-UHFFFAOYSA-N 1 0 387.484 3.200 50 0 GGAARO Cn1nnnc1SCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000004993861 570422430 /nfs/dbraw/zinc/42/24/30/570422430.db2.gz SNUJETYDFBPRAJ-UHFFFAOYSA-N 1 0 387.484 3.200 50 0 GGAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000239433195 570430006 /nfs/dbraw/zinc/43/00/06/570430006.db2.gz XIPZSAOLIQXKFT-UFYCRDLUSA-N 1 0 390.568 3.410 50 0 GGAARO COc1ccc(C(=O)NC[C@H](c2cccn2C)[NH+]2CCCCCC2)cc1OC ZINC000011846350 570437786 /nfs/dbraw/zinc/43/77/86/570437786.db2.gz XXYJMELFELRNFE-LJQANCHMSA-N 1 0 385.508 3.389 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000011842179 570437826 /nfs/dbraw/zinc/43/78/26/570437826.db2.gz NPPSDMSRFVOPFQ-HXUWFJFHSA-N 1 0 376.859 3.122 50 0 GGAARO CCc1ccc(O[C@@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000027741691 570441322 /nfs/dbraw/zinc/44/13/22/570441322.db2.gz NQRNGJZGJODUMA-IBGZPJMESA-N 1 0 387.568 3.083 50 0 GGAARO COc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287457 570454738 /nfs/dbraw/zinc/45/47/38/570454738.db2.gz AWSDNBAXCIHVEO-FQEVSTJZSA-N 1 0 387.911 3.067 50 0 biogenic GGAARO CCN1CC[NH+](C2(CNC(=O)[C@H](C)Oc3ccc(F)cc3)CCCCC2)CC1 ZINC000028403184 570459021 /nfs/dbraw/zinc/45/90/21/570459021.db2.gz RJKCWJULSPGJHM-SFHVURJKSA-N 1 0 391.531 3.050 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)COc3cccc(C)c3C)CCCCC2)CC1 ZINC000028403174 570459163 /nfs/dbraw/zinc/45/91/63/570459163.db2.gz WABUQABGORVKRC-UHFFFAOYSA-N 1 0 387.568 3.139 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccnc1 ZINC000005967770 570463501 /nfs/dbraw/zinc/46/35/01/570463501.db2.gz MNTPZJQNTQOXDI-IBGZPJMESA-N 1 0 377.444 3.075 50 0 GGAARO O[C@@]1(c2ccccc2OC(F)F)CN2CCCSC2=[N+]1c1ccccc1 ZINC000006240798 570473497 /nfs/dbraw/zinc/47/34/97/570473497.db2.gz ZAJCMUDCMFEUJL-LJQANCHMSA-N 1 0 377.436 3.459 50 0 GGAARO Cc1coc2c1cc1c(C)c(CCC(=O)NCCC[NH+](C)C)c(=O)oc1c2C ZINC000006623678 570507545 /nfs/dbraw/zinc/50/75/45/570507545.db2.gz RXPWRZFSVMAMNR-UHFFFAOYSA-N 1 0 384.476 3.465 50 0 biogenic GGAARO CCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OCC ZINC000007616271 570510571 /nfs/dbraw/zinc/51/05/71/570510571.db2.gz TUIWPUIWBOJGTI-UHFFFAOYSA-N 1 0 384.542 3.072 50 0 GGAARO CCc1[nH]nc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1C ZINC000032565397 570511250 /nfs/dbraw/zinc/51/12/50/570511250.db2.gz DSUUIOOALMSYTH-LJQANCHMSA-N 1 0 395.551 3.016 50 0 GGAARO CCc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000002966313 570525185 /nfs/dbraw/zinc/52/51/85/570525185.db2.gz MLBPKHWZMXFYEO-QHCPKHFHSA-N 1 0 379.480 3.280 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccsc2)CC1 ZINC000022765512 570543267 /nfs/dbraw/zinc/54/32/67/570543267.db2.gz HKKMVOYYFJQVQO-KRWDZBQOSA-N 1 0 397.466 3.485 50 0 GGAARO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000172537282 570543526 /nfs/dbraw/zinc/54/35/26/570543526.db2.gz TXLFSSQKFHVMNN-UHFFFAOYSA-N 1 0 381.524 3.006 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccc(F)cc2)CC1 ZINC000022794569 570547887 /nfs/dbraw/zinc/54/78/87/570547887.db2.gz WIPYRPIPLVPFFX-FQEVSTJZSA-N 1 0 389.902 3.127 50 0 GGAARO CCOc1ccc(NC(=[NH2+])Nc2nc(CSc3ncccn3)cc(=O)[nH]2)cc1 ZINC000009089657 570548349 /nfs/dbraw/zinc/54/83/49/570548349.db2.gz GXYMJNVGXAKOGX-UHFFFAOYSA-N 1 0 397.464 3.122 50 0 GGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000009620386 570560376 /nfs/dbraw/zinc/56/03/76/570560376.db2.gz XUADPAVYIXIHDX-UHFFFAOYSA-N 1 0 375.476 3.332 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2)N(CCC[NH+](C)C)C1=O ZINC000005350159 570562718 /nfs/dbraw/zinc/56/27/18/570562718.db2.gz TVVQJNGSVAXWPF-FQEVSTJZSA-N 1 0 392.455 3.299 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2F)N(CC[NH+](C)C)C1=O ZINC000005349102 570562732 /nfs/dbraw/zinc/56/27/32/570562732.db2.gz UPMLPUSYWOKUDQ-IBGZPJMESA-N 1 0 396.418 3.048 50 0 GGAARO COc1cccc2c1OCC(CN1CC[N@H+](Cc3ccccc3)[C@H](CCO)C1)=C2 ZINC000036385660 570564911 /nfs/dbraw/zinc/56/49/11/570564911.db2.gz ASKFWLMRHTYFIN-JOCHJYFZSA-N 1 0 394.515 3.040 50 0 GGAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)cc1 ZINC000036382365 570564932 /nfs/dbraw/zinc/56/49/32/570564932.db2.gz BFAXEXRADMZPMP-LJQANCHMSA-N 1 0 390.491 3.130 50 0 GGAARO CCOCCOc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000010451078 570570860 /nfs/dbraw/zinc/57/08/60/570570860.db2.gz RTLLZUCAOBXOMH-UHFFFAOYSA-N 1 0 382.504 3.496 50 0 GGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000037197659 570571004 /nfs/dbraw/zinc/57/10/04/570571004.db2.gz JTIIJRQPGWAMCM-XRXFAXGQSA-N 1 0 375.557 3.042 50 0 GGAARO COc1ccc(Cc2nc3c4c(C)c(C)n(CCC[NH+](C)C)c4ncn3n2)cc1 ZINC000006755192 570572809 /nfs/dbraw/zinc/57/28/09/570572809.db2.gz OJWFOZFITOJUJT-UHFFFAOYSA-N 1 0 392.507 3.247 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1ccccc1 ZINC000032561902 570574290 /nfs/dbraw/zinc/57/42/90/570574290.db2.gz KAVBRHMLWQANTJ-OALUTQOASA-N 1 0 391.437 3.184 50 0 GGAARO COc1ccc(-c2n[nH]cc2CN2CCC([NH+]3CCSCC3)CC2)c(F)c1 ZINC000011664497 570578341 /nfs/dbraw/zinc/57/83/41/570578341.db2.gz OYHMANARAJSWKV-UHFFFAOYSA-N 1 0 390.528 3.238 50 0 GGAARO O=C(NCc1ccncc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011665020 570578783 /nfs/dbraw/zinc/57/87/83/570578783.db2.gz ZYWFOHLMCZLRPS-QFIPXVFZSA-N 1 0 392.547 3.074 50 0 GGAARO CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@H]2CN(c3ccc(F)cc3)C(=O)O2)C1 ZINC000225486650 570578965 /nfs/dbraw/zinc/57/89/65/570578965.db2.gz FKYWMCVCMPTLRI-RDJZCZTQSA-N 1 0 393.459 3.140 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CCc3cccnc3)C2)cc1 ZINC000011664952 570579051 /nfs/dbraw/zinc/57/90/51/570579051.db2.gz VFSPAKZUTTXMHE-JOCHJYFZSA-N 1 0 395.547 3.436 50 0 GGAARO CC[C@@H]1CN(C(=O)c2ccc(N(C)Cc3ncccc3C)nc2)CC[N@@H+]1C(C)C ZINC000011667866 570579344 /nfs/dbraw/zinc/57/93/44/570579344.db2.gz MRTOVCCAMVBCBE-HXUWFJFHSA-N 1 0 395.551 3.366 50 0 GGAARO O=C(CCc1cnccn1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011711729 570580601 /nfs/dbraw/zinc/58/06/01/570580601.db2.gz FWZLLHSDKUXFBX-JOCHJYFZSA-N 1 0 382.483 3.063 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCc3cnn(C)c3)C2)cc1 ZINC000011813020 570582972 /nfs/dbraw/zinc/58/29/72/570582972.db2.gz LVWXAXQFTTZARQ-JOCHJYFZSA-N 1 0 382.552 3.332 50 0 GGAARO Cn1cc(C[NH+]2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)cn1 ZINC000011813291 570583353 /nfs/dbraw/zinc/58/33/53/570583353.db2.gz MNTFMPAAHDAZAS-UHFFFAOYSA-N 1 0 397.458 3.237 50 0 GGAARO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C3CCSCC3)C2)c1OC ZINC000011814290 570583525 /nfs/dbraw/zinc/58/35/25/570583525.db2.gz VVNLVUPNGXDNRR-OAHLLOKOSA-N 1 0 378.538 3.041 50 0 GGAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](CCCn2cccn2)C1 ZINC000011817640 570584841 /nfs/dbraw/zinc/58/48/41/570584841.db2.gz ZZYTYYIZEBJLLW-JOCHJYFZSA-N 1 0 385.508 3.388 50 0 GGAARO CCCO[C@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](C)CC3)c(OC)c2)C1 ZINC000011842707 570587194 /nfs/dbraw/zinc/58/71/94/570587194.db2.gz UPJIJJIXLOPHFC-IBGZPJMESA-N 1 0 390.524 3.199 50 0 GGAARO Cc1ncsc1CCC(=O)N(C)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011842797 570587204 /nfs/dbraw/zinc/58/72/04/570587204.db2.gz UFQMWXHOPMIWJH-IBGZPJMESA-N 1 0 383.561 3.474 50 0 GGAARO CCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](C)CC3)c(OC)c2)C1 ZINC000011842706 570587274 /nfs/dbraw/zinc/58/72/74/570587274.db2.gz UPJIJJIXLOPHFC-LJQANCHMSA-N 1 0 390.524 3.199 50 0 GGAARO CC[C@@H]1CN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000011844577 570588227 /nfs/dbraw/zinc/58/82/27/570588227.db2.gz NVSDRAIVTYARLY-QGZVFWFLSA-N 1 0 379.464 3.241 50 0 GGAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](CCCn2cccn2)CC1 ZINC000011873009 570589558 /nfs/dbraw/zinc/58/95/58/570589558.db2.gz ZEICEGZMNATVRD-UHFFFAOYSA-N 1 0 385.508 3.388 50 0 GGAARO CCOC(C(=O)OC[C@@H](O)C[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000002270674 570589834 /nfs/dbraw/zinc/58/98/34/570589834.db2.gz JDIRVIOZYKYKKR-NRFANRHFSA-N 1 0 385.504 3.213 50 0 GGAARO CCOCc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)ccc1OC ZINC000011874684 570589865 /nfs/dbraw/zinc/58/98/65/570589865.db2.gz SESWEXVPAWIQID-GOSISDBHSA-N 1 0 386.492 3.467 50 0 GGAARO C[N@H+](Cc1ccccc1)C1(C(=O)NC[C@@H]2CCCCO2)Cc2ccccc2C1 ZINC000039379550 570589950 /nfs/dbraw/zinc/58/99/50/570589950.db2.gz NCJSSTHTVABXTL-QFIPXVFZSA-N 1 0 378.516 3.341 50 0 GGAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccccc1N1CCOCC1 ZINC000011874258 570590066 /nfs/dbraw/zinc/59/00/66/570590066.db2.gz WCAOCOSBBHOHDJ-IBGZPJMESA-N 1 0 385.552 3.440 50 0 GGAARO CCOCc1cc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)ccc1OC ZINC000039379498 570590138 /nfs/dbraw/zinc/59/01/38/570590138.db2.gz LEOSRNVVVWZYSL-OAQYLSRUSA-N 1 0 378.557 3.146 50 0 GGAARO COc1cc(/C=C/CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)ccc1O ZINC000039400677 570590968 /nfs/dbraw/zinc/59/09/68/570590968.db2.gz JTDKMMPDKUDJDG-ROVVAWJSSA-N 1 0 388.533 3.044 50 0 GGAARO Cc1cc(C)n(-c2cccc(CN3CC[N@@H+](CCC(C)C)[C@H](CCO)C3)c2)n1 ZINC000039430393 570591294 /nfs/dbraw/zinc/59/12/94/570591294.db2.gz MGOXNRJSKINXKB-HSZRJFAPSA-N 1 0 384.568 3.404 50 0 GGAARO CCOc1ccc2nc(CN3CC[N@H+](CC=C(C)C)[C@H](CCO)C3)ccc2c1 ZINC000039442321 570591527 /nfs/dbraw/zinc/59/15/27/570591527.db2.gz UUMZKTQBLAEJPW-OAQYLSRUSA-N 1 0 383.536 3.468 50 0 GGAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000039478765 570592165 /nfs/dbraw/zinc/59/21/65/570592165.db2.gz SZWRKYQGGSRMKF-OAQYLSRUSA-N 1 0 396.560 3.311 50 0 GGAARO COCCOC1CC[NH+](Cc2nc(-c3ccc(OC)cc3OC)oc2C)CC1 ZINC000039485416 570592790 /nfs/dbraw/zinc/59/27/90/570592790.db2.gz GOIRTZWZCLTNPQ-UHFFFAOYSA-N 1 0 390.480 3.295 50 0 GGAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(Cl)c1OC ZINC000039515732 570592807 /nfs/dbraw/zinc/59/28/07/570592807.db2.gz ABUPFJXFQVPBJN-QGZVFWFLSA-N 1 0 382.932 3.168 50 0 GGAARO CCOCc1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039509388 570592861 /nfs/dbraw/zinc/59/28/61/570592861.db2.gz QIIAUSXYTNPLJT-JOCHJYFZSA-N 1 0 390.568 3.433 50 0 GGAARO CCn1cc(CNC(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)cn1 ZINC000039536884 570593175 /nfs/dbraw/zinc/59/31/75/570593175.db2.gz GUSSSWAVCFPRHI-UHFFFAOYSA-N 1 0 388.515 3.189 50 0 GGAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](Cc4cnn(C)c4)CC3)c2)s1 ZINC000039542960 570593367 /nfs/dbraw/zinc/59/33/67/570593367.db2.gz NXZHURDHQNQNHT-UHFFFAOYSA-N 1 0 396.520 3.098 50 0 GGAARO COc1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2OC)c(OC)c1 ZINC000011936107 570593950 /nfs/dbraw/zinc/59/39/50/570593950.db2.gz LYLBXVPNLGAOEV-UHFFFAOYSA-N 1 0 397.475 3.443 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000011936452 570594139 /nfs/dbraw/zinc/59/41/39/570594139.db2.gz UCXBEGJWGFDOKY-OAQYLSRUSA-N 1 0 376.504 3.390 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CCc3ccccn3)C2)cc1 ZINC000011936875 570594472 /nfs/dbraw/zinc/59/44/72/570594472.db2.gz ZQDACEHXUMFJIO-NRFANRHFSA-N 1 0 395.547 3.436 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc4ccccc4n3)CC2)C1 ZINC000011938126 570594672 /nfs/dbraw/zinc/59/46/72/570594672.db2.gz ZWUAXGVSIZFOIE-IBGZPJMESA-N 1 0 392.547 3.190 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3cccc(C)n3)CC2)c1 ZINC000011937664 570594694 /nfs/dbraw/zinc/59/46/94/570594694.db2.gz JGSNORZKGSAGGX-UHFFFAOYSA-N 1 0 395.503 3.334 50 0 GGAARO COC(=O)c1cccc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000011945511 570595193 /nfs/dbraw/zinc/59/51/93/570595193.db2.gz LSZRCFGKJQRCHK-NRFANRHFSA-N 1 0 380.488 3.252 50 0 GGAARO CN(C)C(=O)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011947932 570595394 /nfs/dbraw/zinc/59/53/94/570595394.db2.gz SAFBYYCHYFLWLY-JOCHJYFZSA-N 1 0 377.573 3.140 50 0 GGAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 ZINC000011966734 570596282 /nfs/dbraw/zinc/59/62/82/570596282.db2.gz CPLPDHIPMMHGNR-UYAOXDASSA-N 1 0 396.487 3.006 50 0 GGAARO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2C)cc1 ZINC000005451990 570597313 /nfs/dbraw/zinc/59/73/13/570597313.db2.gz ZBKMTXUBQRQMAS-PWHSHALESA-N 1 0 393.487 3.424 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Cc3ccc(OC)cc3)C2)o1 ZINC000012003060 570597670 /nfs/dbraw/zinc/59/76/70/570597670.db2.gz RRSLYMLBIHTGJL-GOSISDBHSA-N 1 0 386.492 3.006 50 0 GGAARO Cc1nnsc1C(=O)N(C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012025246 570599099 /nfs/dbraw/zinc/59/90/99/570599099.db2.gz NUDCWJMNSMTAJW-UHFFFAOYSA-N 1 0 376.501 3.012 50 0 GGAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCc1cccc(F)c1F)C2 ZINC000012049276 570600473 /nfs/dbraw/zinc/60/04/73/570600473.db2.gz CNCAUNWQZJQEMY-CQSZACIVSA-N 1 0 390.430 3.263 50 0 GGAARO Cc1cccc(-n2cc(C[NH2+]CCN3CCNC3=O)c(-c3cccc(F)c3)n2)c1 ZINC000012049356 570600960 /nfs/dbraw/zinc/60/09/60/570600960.db2.gz HJVJIKWFOVIZQN-UHFFFAOYSA-N 1 0 393.466 3.102 50 0 GGAARO Cc1ccc(CNC(=O)CC[C@@H]2CCCN(c3cc(C)[nH+]c(N(C)C)n3)C2)o1 ZINC000012053055 570601318 /nfs/dbraw/zinc/60/13/18/570601318.db2.gz GSYMRBIQAGUEFT-KRWDZBQOSA-N 1 0 385.512 3.065 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCc3cnccn3)C2)cc1 ZINC000012055232 570602204 /nfs/dbraw/zinc/60/22/04/570602204.db2.gz HDVZYEKEDSKOAI-JOCHJYFZSA-N 1 0 380.536 3.389 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1cn[nH]c1 ZINC000012074356 570604658 /nfs/dbraw/zinc/60/46/58/570604658.db2.gz QMIRVWFKYODLAO-UHFFFAOYSA-N 1 0 394.441 3.455 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000012076850 570605662 /nfs/dbraw/zinc/60/56/62/570605662.db2.gz PSIBAODWWQAALV-ZDJZVTAXSA-N 1 0 385.533 3.021 50 0 GGAARO C[NH+](C)CCN(C(=O)c1cn(Cc2cccc(Cl)c2)nn1)C1CCCCC1 ZINC000012092778 570608243 /nfs/dbraw/zinc/60/82/43/570608243.db2.gz KKPCZCKMACQXJE-UHFFFAOYSA-N 1 0 389.931 3.316 50 0 GGAARO COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccccc2)cc1 ZINC000012149783 570618233 /nfs/dbraw/zinc/61/82/33/570618233.db2.gz SJKULAGVEQLCKL-HXUWFJFHSA-N 1 0 382.504 3.287 50 0 GGAARO CC(C)c1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1 ZINC000012165603 570619277 /nfs/dbraw/zinc/61/92/77/570619277.db2.gz FWWWJNHJLAASTK-MRXNPFEDSA-N 1 0 381.524 3.047 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc[n+]([O-])c1 ZINC000012194791 570622517 /nfs/dbraw/zinc/62/25/17/570622517.db2.gz UNFPHVNGSGKJEU-GOSISDBHSA-N 1 0 387.911 3.000 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](C2Cc3ccccc3C2)CC1)c1cccnc1 ZINC000012199639 570623943 /nfs/dbraw/zinc/62/39/43/570623943.db2.gz KZJBZONHWAHQQP-UHFFFAOYSA-N 1 0 387.487 3.335 50 0 GGAARO c1cc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cc2c1OCC2 ZINC000043131338 570625763 /nfs/dbraw/zinc/62/57/63/570625763.db2.gz RBPPSMNMXDUQSS-UHFFFAOYSA-N 1 0 375.428 3.299 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000012209816 570626490 /nfs/dbraw/zinc/62/64/90/570626490.db2.gz COMGSOKZCDAEFV-FQEVSTJZSA-N 1 0 380.488 3.471 50 0 GGAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012245564 570631129 /nfs/dbraw/zinc/63/11/29/570631129.db2.gz VREPFKMYUSXGDU-DNIVAWAASA-N 1 0 385.512 3.213 50 0 GGAARO CN(CCC[NH+]1CCCCC1)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000012298096 570634853 /nfs/dbraw/zinc/63/48/53/570634853.db2.gz KIJXOZMMRRQPFD-UHFFFAOYSA-N 1 0 393.434 3.480 50 0 GGAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc1OC ZINC000012299543 570635413 /nfs/dbraw/zinc/63/54/13/570635413.db2.gz FPINOUVWFQSKHB-LJQANCHMSA-N 1 0 386.492 3.151 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)Cc1cccnc1 ZINC000012301008 570635743 /nfs/dbraw/zinc/63/57/43/570635743.db2.gz SZCWDYMAIOHZKI-UHFFFAOYSA-N 1 0 399.510 3.150 50 0 GGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCCCC4)CC3)CC2)n1 ZINC000012306465 570639127 /nfs/dbraw/zinc/63/91/27/570639127.db2.gz DWKLZVGXMLNXPE-UHFFFAOYSA-N 1 0 384.568 3.079 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(-n4ccnc4)cc3)C2)c1 ZINC000012306302 570639187 /nfs/dbraw/zinc/63/91/87/570639187.db2.gz HMMYUHJLYSVZCD-FQEVSTJZSA-N 1 0 390.487 3.275 50 0 GGAARO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CCC2 ZINC000012307100 570639423 /nfs/dbraw/zinc/63/94/23/570639423.db2.gz APNQLJRWKBRNGY-OAQYLSRUSA-N 1 0 388.519 3.294 50 0 GGAARO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1N1CCNC1=O ZINC000012315721 570641148 /nfs/dbraw/zinc/64/11/48/570641148.db2.gz KEBHZHGZNBEUCH-IBGZPJMESA-N 1 0 398.551 3.442 50 0 GGAARO COC[C@@H](C)NC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012315834 570641451 /nfs/dbraw/zinc/64/14/51/570641451.db2.gz SIOYKKCKTXROGF-MRXNPFEDSA-N 1 0 390.524 3.246 50 0 GGAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c(C)n1 ZINC000012315708 570641473 /nfs/dbraw/zinc/64/14/73/570641473.db2.gz FDFGDNFQNHYTJE-SFHVURJKSA-N 1 0 392.507 3.248 50 0 GGAARO CN1Cc2sc3c(c2CC1(C)C)c(=O)n(-c1ccccc1)c1nnc(S)n31 ZINC000024979667 570647774 /nfs/dbraw/zinc/64/77/74/570647774.db2.gz KSPBQSOBEAYORE-UHFFFAOYSA-N 1 0 397.529 3.150 50 0 GGAARO COCCNC(=O)CCC1CC[NH+]([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000012373577 570648627 /nfs/dbraw/zinc/64/86/27/570648627.db2.gz UVLPASZKBYOJBV-GOSISDBHSA-N 1 0 376.541 3.271 50 0 GGAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(CO)o2)CC1)N1CCCCC1 ZINC000012385527 570650407 /nfs/dbraw/zinc/65/04/07/570650407.db2.gz PDNDIVCDPFQDJQ-UHFFFAOYSA-N 1 0 398.503 3.441 50 0 GGAARO COc1ccc2c(C)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1 ZINC000012391985 570652221 /nfs/dbraw/zinc/65/22/21/570652221.db2.gz VRPBQTYXCFHDAN-UHFFFAOYSA-N 1 0 386.492 3.078 50 0 GGAARO CC[C@H]1CN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000012387564 570652396 /nfs/dbraw/zinc/65/23/96/570652396.db2.gz XVSDSAMLXRDSCO-IBGZPJMESA-N 1 0 377.492 3.447 50 0 GGAARO CC(C)(C)C1CCC(C(=O)N2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)CC1 ZINC000048376272 570657947 /nfs/dbraw/zinc/65/79/47/570657947.db2.gz SXVHBJUZRCRGRD-UHFFFAOYSA-N 1 0 375.561 3.488 50 0 GGAARO Cc1ccn(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000012432138 570660002 /nfs/dbraw/zinc/66/00/02/570660002.db2.gz CUTYERLLWNDHEZ-QFIPXVFZSA-N 1 0 384.499 3.235 50 0 GGAARO Cc1ccn(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000012432137 570660054 /nfs/dbraw/zinc/66/00/54/570660054.db2.gz CUTYERLLWNDHEZ-JOCHJYFZSA-N 1 0 384.499 3.235 50 0 GGAARO Cc1cccc2nc(C(=O)N(C)[C@H]3CCC[N@H+](CCc4ccccc4)C3)cn21 ZINC000012434080 570661253 /nfs/dbraw/zinc/66/12/53/570661253.db2.gz LMZWMZRCNDRLSC-FQEVSTJZSA-N 1 0 376.504 3.422 50 0 GGAARO O=C(CC[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000012436277 570662157 /nfs/dbraw/zinc/66/21/57/570662157.db2.gz MLLXLBOBEOLTOJ-HXUWFJFHSA-N 1 0 384.568 3.161 50 0 GGAARO O=C(CCC1CC[NH+](Cc2cccn2-c2ccccn2)CC1)NC[C@@H]1CCCO1 ZINC000012435478 570662214 /nfs/dbraw/zinc/66/22/14/570662214.db2.gz QJKQDYGICOGLOW-NRFANRHFSA-N 1 0 396.535 3.160 50 0 GGAARO CSCC[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21 ZINC000012438057 570662622 /nfs/dbraw/zinc/66/26/22/570662622.db2.gz CRLVUXAGXOPFQL-UHFFFAOYSA-N 1 0 388.562 3.163 50 0 GGAARO O=C(CCC1CC[NH+](C2CCOCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012442258 570664849 /nfs/dbraw/zinc/66/48/49/570664849.db2.gz URHILMZUBXPRLQ-UHFFFAOYSA-N 1 0 385.552 3.006 50 0 GGAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000012448435 570667287 /nfs/dbraw/zinc/66/72/87/570667287.db2.gz XQOAWEMROWEISY-QFIPXVFZSA-N 1 0 392.547 3.074 50 0 GGAARO CSc1cccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c1 ZINC000230208516 570668286 /nfs/dbraw/zinc/66/82/86/570668286.db2.gz VHMLVFUZSBDUFS-JOCHJYFZSA-N 1 0 387.593 3.317 50 0 GGAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH2+][C@H]2CCCN(c3ncccn3)C2)n1 ZINC000012455854 570669178 /nfs/dbraw/zinc/66/91/78/570669178.db2.gz BIGDDXAMHDANCC-IBGZPJMESA-N 1 0 380.471 3.177 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000012457753 570669611 /nfs/dbraw/zinc/66/96/11/570669611.db2.gz HAFISCSAUDICGL-NRFANRHFSA-N 1 0 380.488 3.391 50 0 GGAARO O=C(c1cc(COc2cncc(Cl)c2)on1)N1CC[NH+](C2CCCC2)CC1 ZINC000012458520 570670143 /nfs/dbraw/zinc/67/01/43/570670143.db2.gz UMZCBQJUVNKMRU-UHFFFAOYSA-N 1 0 390.871 3.002 50 0 GGAARO COc1ccccc1-n1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000012459245 570670364 /nfs/dbraw/zinc/67/03/64/570670364.db2.gz MYIBHDLFWLMRCW-QHCPKHFHSA-N 1 0 394.519 3.219 50 0 GGAARO Cc1cnc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012464507 570671062 /nfs/dbraw/zinc/67/10/62/570671062.db2.gz RRJCLMXBELWCFG-GOSISDBHSA-N 1 0 386.927 3.465 50 0 GGAARO Cc1cnc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012464505 570671076 /nfs/dbraw/zinc/67/10/76/570671076.db2.gz RRJCLMXBELWCFG-SFHVURJKSA-N 1 0 386.927 3.465 50 0 GGAARO O=C(CN1CCCCC1=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012464489 570671170 /nfs/dbraw/zinc/67/11/70/570671170.db2.gz CKIFCRKLSYDUOZ-QHCPKHFHSA-N 1 0 389.584 3.284 50 0 GGAARO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccc(CC(C)C)s2)CC1 ZINC000012463750 570671215 /nfs/dbraw/zinc/67/12/15/570671215.db2.gz PKYDKYQUKHUKAZ-UHFFFAOYSA-N 1 0 386.565 3.300 50 0 GGAARO CCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccc3)CC1)n2C ZINC000052671043 570673164 /nfs/dbraw/zinc/67/31/64/570673164.db2.gz ICZBCJMQZFSWCQ-UHFFFAOYSA-N 1 0 391.519 3.287 50 0 GGAARO COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337825 570674711 /nfs/dbraw/zinc/67/47/11/570674711.db2.gz MRBRATPGAHVIBM-FQEVSTJZSA-N 1 0 392.455 3.217 50 0 GGAARO CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012507484 570675102 /nfs/dbraw/zinc/67/51/02/570675102.db2.gz XZGYHADNZTYCRW-SFHVURJKSA-N 1 0 384.451 3.220 50 0 GGAARO CN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012507482 570675441 /nfs/dbraw/zinc/67/54/41/570675441.db2.gz XZGYHADNZTYCRW-GOSISDBHSA-N 1 0 384.451 3.220 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CCSC ZINC000012507597 570675448 /nfs/dbraw/zinc/67/54/48/570675448.db2.gz FRSBLRCLNPRVTC-GOSISDBHSA-N 1 0 390.593 3.094 50 0 GGAARO Cc1ccccc1Cc1c(C)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000054253593 570676686 /nfs/dbraw/zinc/67/66/86/570676686.db2.gz WMUGSVGZGPEZRA-UHFFFAOYSA-N 1 0 388.515 3.300 50 0 GGAARO c1nn(Cc2ccccc2)c2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000054333070 570677207 /nfs/dbraw/zinc/67/72/07/570677207.db2.gz RKXZVUUYYMSLRV-UHFFFAOYSA-N 1 0 384.487 3.197 50 0 GGAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCC[NH+](C)C)cc3)n2)cc1 ZINC000032579137 570678272 /nfs/dbraw/zinc/67/82/72/570678272.db2.gz QORXBMPVUAARHM-UHFFFAOYSA-N 1 0 394.475 3.159 50 0 GGAARO NC(=O)Cn1cc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c2ccccc21 ZINC000055042156 570680236 /nfs/dbraw/zinc/68/02/36/570680236.db2.gz PECIXFWSVBSYBR-HXUWFJFHSA-N 1 0 395.478 3.447 50 0 GGAARO CCOc1cccc(CN2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c1 ZINC000055053364 570680633 /nfs/dbraw/zinc/68/06/33/570680633.db2.gz RONCRQGRFZZEOL-QHCPKHFHSA-N 1 0 384.520 3.249 50 0 GGAARO CCOc1cccc(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c1 ZINC000055053361 570680659 /nfs/dbraw/zinc/68/06/59/570680659.db2.gz RONCRQGRFZZEOL-HSZRJFAPSA-N 1 0 384.520 3.249 50 0 GGAARO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cccn2)c2ccccc21 ZINC000055060598 570680838 /nfs/dbraw/zinc/68/08/38/570680838.db2.gz OFUYNEPRFZKMNN-IBGZPJMESA-N 1 0 379.508 3.027 50 0 GGAARO CC(C)NC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c2ccccc21 ZINC000055060597 570680934 /nfs/dbraw/zinc/68/09/34/570680934.db2.gz OFUYNEPRFZKMNN-LJQANCHMSA-N 1 0 379.508 3.027 50 0 GGAARO COc1ccccc1-n1cc(-c2ccnc(NCC[C@@H]3CCC[N@@H+]3C)n2)cn1 ZINC000055060935 570681143 /nfs/dbraw/zinc/68/11/43/570681143.db2.gz PCURNESJVHMDOH-KRWDZBQOSA-N 1 0 378.480 3.234 50 0 GGAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012572908 570681261 /nfs/dbraw/zinc/68/12/61/570681261.db2.gz LCYGEVLFJRWONG-KRWDZBQOSA-N 1 0 384.524 3.377 50 0 GGAARO O=C(c1ccnnc1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012572205 570681530 /nfs/dbraw/zinc/68/15/30/570681530.db2.gz WTSIBFIKYZFPKD-KRWDZBQOSA-N 1 0 386.446 3.129 50 0 GGAARO CCCc1cc(CNC(=O)c2ccc(N3CC[NH+](C4CCCC4)CC3)nc2)on1 ZINC000012576602 570682330 /nfs/dbraw/zinc/68/23/30/570682330.db2.gz PTIRRAHRRIDYQK-UHFFFAOYSA-N 1 0 397.523 3.017 50 0 GGAARO O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012575584 570682363 /nfs/dbraw/zinc/68/23/63/570682363.db2.gz JMINPDTZTQKCQS-HXUWFJFHSA-N 1 0 380.488 3.171 50 0 GGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)NC4CCCC4)CC3)CC2)n1 ZINC000055119789 570684007 /nfs/dbraw/zinc/68/40/07/570684007.db2.gz YMZASKZTWQETNW-UHFFFAOYSA-N 1 0 384.568 3.125 50 0 GGAARO CCC[N@@H+](Cc1c(C(=O)N2CCCC2)nc2sccn12)C[C@H]1CCCO1 ZINC000055153134 570684502 /nfs/dbraw/zinc/68/45/02/570684502.db2.gz HYTQZNCMKUDXRE-OAHLLOKOSA-N 1 0 376.526 3.023 50 0 GGAARO CCn1nc(C)cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012581954 570684513 /nfs/dbraw/zinc/68/45/13/570684513.db2.gz TXQSNCUHUTXOBL-JOCHJYFZSA-N 1 0 384.499 3.479 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCOCC1 ZINC000012582731 570684538 /nfs/dbraw/zinc/68/45/38/570684538.db2.gz VPOCVQVKLAGDRI-SFHVURJKSA-N 1 0 378.944 3.480 50 0 GGAARO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccc2nsnc2c1 ZINC000055153696 570685252 /nfs/dbraw/zinc/68/52/52/570685252.db2.gz CBTBKONFIJZQCW-UHFFFAOYSA-N 1 0 379.445 3.442 50 0 GGAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]Cc1cccnc1 ZINC000055167250 570685524 /nfs/dbraw/zinc/68/55/24/570685524.db2.gz LRODAKPCFNNVRX-UHFFFAOYSA-N 1 0 377.492 3.344 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000055168376 570685749 /nfs/dbraw/zinc/68/57/49/570685749.db2.gz BNFCQJMSLSIWFE-KRWDZBQOSA-N 1 0 383.458 3.451 50 0 GGAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)CC1 ZINC000012588587 570685994 /nfs/dbraw/zinc/68/59/94/570685994.db2.gz LIURPVOHYIUQDY-MRXNPFEDSA-N 1 0 388.537 3.476 50 0 GGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000055182717 570686212 /nfs/dbraw/zinc/68/62/12/570686212.db2.gz UWUDAGGDPIEOAH-HXUWFJFHSA-N 1 0 385.552 3.389 50 0 GGAARO Cc1c(C[NH2+]Cc2cc(-c3ccccc3)nn2C)c2ccccc2n1CC(N)=O ZINC000055211786 570687275 /nfs/dbraw/zinc/68/72/75/570687275.db2.gz MHZTVKMMXDCFMT-UHFFFAOYSA-N 1 0 387.487 3.125 50 0 GGAARO COc1cc(C[NH+]2CCC(Cc3nncn3-c3ccccc3)CC2)ccc1O ZINC000055211958 570687414 /nfs/dbraw/zinc/68/74/14/570687414.db2.gz OQWGQRIWVYIION-UHFFFAOYSA-N 1 0 378.476 3.436 50 0 GGAARO O=C(C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2)c1ccco1 ZINC000012591676 570687638 /nfs/dbraw/zinc/68/76/38/570687638.db2.gz HQFBRUZPPVYSMR-QHCPKHFHSA-N 1 0 380.488 3.410 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cc[n+]([O-])cc1 ZINC000012591583 570687748 /nfs/dbraw/zinc/68/77/48/570687748.db2.gz WTVFPXDNHKXFDN-UHFFFAOYSA-N 1 0 381.520 3.045 50 0 GGAARO CC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000012591786 570687753 /nfs/dbraw/zinc/68/77/53/570687753.db2.gz NBOAHVDEHUSOFB-FQEVSTJZSA-N 1 0 399.579 3.094 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)cc1OC ZINC000012596733 570689425 /nfs/dbraw/zinc/68/94/25/570689425.db2.gz PIIJJABQOUCRKI-JARZOMNASA-N 1 0 398.503 3.476 50 0 GGAARO c1cnn(CCC[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)c1 ZINC000012596412 570689539 /nfs/dbraw/zinc/68/95/39/570689539.db2.gz STHQRRCVQLLORO-UHFFFAOYSA-N 1 0 388.519 3.041 50 0 GGAARO CCc1oc(C(=O)NCc2cc3ccc(F)cc3[nH]c2=O)cc1C[NH+]1CCCC1 ZINC000055271819 570689835 /nfs/dbraw/zinc/68/98/35/570689835.db2.gz CUTSFEYDWTXUDZ-UHFFFAOYSA-N 1 0 397.450 3.348 50 0 GGAARO COc1cccc(CNCc2cn3c(C)c(C)sc3n2)c1OCC[NH+](C)C ZINC000055307838 570690713 /nfs/dbraw/zinc/69/07/13/570690713.db2.gz RQUGZDDQTXKBQT-UHFFFAOYSA-N 1 0 388.537 3.251 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)cc[nH+]1 ZINC000055326825 570691353 /nfs/dbraw/zinc/69/13/53/570691353.db2.gz NLVKIKPXHCWACV-UHFFFAOYSA-N 1 0 380.477 3.263 50 0 GGAARO Cc1ccccc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000243900994 570691625 /nfs/dbraw/zinc/69/16/25/570691625.db2.gz AYEWETIHSDCTMS-MRXNPFEDSA-N 1 0 378.476 3.373 50 0 GGAARO Cc1nc2sccn2c1C[NH+]1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000055344190 570691844 /nfs/dbraw/zinc/69/18/44/570691844.db2.gz AJCBKVZPGBCWOA-UHFFFAOYSA-N 1 0 384.509 3.086 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2COc3ccccc3O2)c(F)c1 ZINC000055358809 570692232 /nfs/dbraw/zinc/69/22/32/570692232.db2.gz HBBQIEWRICNXTD-INIZCTEOSA-N 1 0 383.423 3.496 50 0 GGAARO C[C@H](c1ccccn1)N(C)Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000055360140 570692237 /nfs/dbraw/zinc/69/22/37/570692237.db2.gz QPKNRPGZQQIMNH-GOSISDBHSA-N 1 0 390.535 3.397 50 0 GGAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055369470 570692822 /nfs/dbraw/zinc/69/28/22/570692822.db2.gz BOGGNRNGGXQTCO-GOSISDBHSA-N 1 0 386.923 3.365 50 0 GGAARO Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]([NH3+])Cc3cscn3)c2)cc1 ZINC000055371043 570693147 /nfs/dbraw/zinc/69/31/47/570693147.db2.gz SVYUZJGKJPULJT-SFHVURJKSA-N 1 0 380.473 3.212 50 0 GGAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(CCO)Cc2nccs2)cc1 ZINC000055384026 570693298 /nfs/dbraw/zinc/69/32/98/570693298.db2.gz KEKVYEZMKXYDIW-UHFFFAOYSA-N 1 0 375.538 3.400 50 0 GGAARO CCc1oc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1C[NH+](CC)CC ZINC000055393320 570694358 /nfs/dbraw/zinc/69/43/58/570694358.db2.gz XTSNXQFSXPFOMS-UHFFFAOYSA-N 1 0 377.529 3.014 50 0 GGAARO CN1CCC([N@H+](CCc2ccccc2)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000055393218 570694443 /nfs/dbraw/zinc/69/44/43/570694443.db2.gz BQWIXRLNMWPDST-UHFFFAOYSA-N 1 0 375.520 3.406 50 0 GGAARO O=C(CC[NH+]1CCC([C@@H](O)c2ccccn2)CC1)Nc1cc(F)ccc1F ZINC000244691619 570694729 /nfs/dbraw/zinc/69/47/29/570694729.db2.gz JFZCBDPVTCCNOI-HXUWFJFHSA-N 1 0 375.419 3.134 50 0 GGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(N3CCCCC3)ccc2Cl)C1 ZINC000244718724 570695110 /nfs/dbraw/zinc/69/51/10/570695110.db2.gz LPUZTUBALATCAP-INIZCTEOSA-N 1 0 379.932 3.028 50 0 GGAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cc(N3CCCCC3)ccc2Cl)C1 ZINC000244718725 570695328 /nfs/dbraw/zinc/69/53/28/570695328.db2.gz LPUZTUBALATCAP-MRXNPFEDSA-N 1 0 379.932 3.028 50 0 GGAARO Cc1cc(C)cc(N2CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2=O)c1 ZINC000244734721 570695672 /nfs/dbraw/zinc/69/56/72/570695672.db2.gz NKRXFPPBOMWNKU-JOCHJYFZSA-N 1 0 377.532 3.474 50 0 GGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)c(OC)c1 ZINC000055569060 570697172 /nfs/dbraw/zinc/69/71/72/570697172.db2.gz FGJUABHKZBWWGY-HNNXBMFYSA-N 1 0 381.432 3.335 50 0 GGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)c(OC)c1 ZINC000055569059 570697268 /nfs/dbraw/zinc/69/72/68/570697268.db2.gz FGJUABHKZBWWGY-OAHLLOKOSA-N 1 0 381.432 3.335 50 0 GGAARO CCc1cccc(C)c1NC(=O)CCN1CC[NH+](C2CCSCC2)CC1 ZINC000244900103 570698768 /nfs/dbraw/zinc/69/87/68/570698768.db2.gz ZWCJHQQHMDRMIW-UHFFFAOYSA-N 1 0 375.582 3.399 50 0 GGAARO COCCNC(=O)CCC1CC[NH+](Cc2c(C)cc(C)cc2-n2cccn2)CC1 ZINC000012703943 570699376 /nfs/dbraw/zinc/69/93/76/570699376.db2.gz WKYFWJKTDKOCRK-UHFFFAOYSA-N 1 0 398.551 3.244 50 0 GGAARO Cc1cc(OCc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)no2)cc(C)c1Cl ZINC000012703457 570699528 /nfs/dbraw/zinc/69/95/28/570699528.db2.gz FLFHRELRGHSOSK-CQSZACIVSA-N 1 0 377.872 3.300 50 0 GGAARO C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2[NH2+]CCCN2CCOCC2)[C@@H]1C ZINC000036129143 570699672 /nfs/dbraw/zinc/69/96/72/570699672.db2.gz NCWFJKCFMCJXEG-UBBRYJJRSA-N 1 0 389.584 3.162 50 0 GGAARO C[C@@]1(COc2ccc(-c3nc(COc4ccccc4)no3)cn2)CCC[NH2+]C1 ZINC000012706912 570700511 /nfs/dbraw/zinc/70/05/11/570700511.db2.gz JHEVLUUGZPLDIA-OAQYLSRUSA-N 1 0 380.448 3.479 50 0 GGAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3COc4ccccc4O3)nc21 ZINC000004359234 570700530 /nfs/dbraw/zinc/70/05/30/570700530.db2.gz JBTZKQYJGNYRLO-QGZVFWFLSA-N 1 0 397.500 3.339 50 0 GGAARO CC(=O)NCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012709719 570702097 /nfs/dbraw/zinc/70/20/97/570702097.db2.gz UJEJFXZDNPZEMA-QHCPKHFHSA-N 1 0 385.552 3.151 50 0 GGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000012714833 570703899 /nfs/dbraw/zinc/70/38/99/570703899.db2.gz WBQCJMKUSLQEEF-HNNXBMFYSA-N 1 0 392.471 3.350 50 0 GGAARO CC[NH+](CC)CC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012717756 570704910 /nfs/dbraw/zinc/70/49/10/570704910.db2.gz NRGNVTFKZGQOGE-QGZVFWFLSA-N 1 0 377.504 3.433 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cnsn1 ZINC000012718532 570705404 /nfs/dbraw/zinc/70/54/04/570705404.db2.gz ZINFWEKDWSGPFZ-INIZCTEOSA-N 1 0 376.501 3.094 50 0 GGAARO COc1cc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)cc(OC)c1OC ZINC000004385518 570726128 /nfs/dbraw/zinc/72/61/28/570726128.db2.gz PHECXOVCOXBGIS-UHFFFAOYSA-N 1 0 397.431 3.454 50 0 GGAARO CCc1nnc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)s1 ZINC000252490577 570728405 /nfs/dbraw/zinc/72/84/05/570728405.db2.gz KXDKCXSSMFUBNO-ZDUSSCGKSA-N 1 0 385.493 3.450 50 0 GGAARO O=C(N[C@H]1C[C@H](c2cc(=O)[nH]cn2)C1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000253534821 570733588 /nfs/dbraw/zinc/73/35/88/570733588.db2.gz HMUSBPLKYMGIGS-WGSAOQKQSA-N 1 0 380.492 3.234 50 0 GGAARO CCOc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1F ZINC000004632352 570742435 /nfs/dbraw/zinc/74/24/35/570742435.db2.gz QVEBXJTZIXTYEU-AWEZNQCLSA-N 1 0 389.452 3.450 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000063846626 570751158 /nfs/dbraw/zinc/75/11/58/570751158.db2.gz MPVRVTUIZZQHAM-MRXNPFEDSA-N 1 0 377.492 3.049 50 0 GGAARO CC[C@@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)cccc23)CC[N@@H+]1C ZINC000063846506 570751261 /nfs/dbraw/zinc/75/12/61/570751261.db2.gz WJMDLRIKBPEIDG-QGZVFWFLSA-N 1 0 377.492 3.110 50 0 GGAARO Cn1cc(-c2cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c3cc(F)ccc3n2)cn1 ZINC000063868294 570752276 /nfs/dbraw/zinc/75/22/76/570752276.db2.gz NERVXLOVIBEURB-QGZVFWFLSA-N 1 0 393.466 3.085 50 0 GGAARO Cn1cc(-c2cc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c3ccccc3n2)cn1 ZINC000063870527 570752301 /nfs/dbraw/zinc/75/23/01/570752301.db2.gz IMDOOKDZBWVOSU-SFHVURJKSA-N 1 0 389.503 3.336 50 0 GGAARO Cn1cc(-c2cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c3ccc(F)cc3n2)cn1 ZINC000063870639 570752307 /nfs/dbraw/zinc/75/23/07/570752307.db2.gz HUVQZYZESRKZOL-QGZVFWFLSA-N 1 0 393.466 3.085 50 0 GGAARO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000065362620 570759991 /nfs/dbraw/zinc/75/99/91/570759991.db2.gz IKFWQCOUMPAIHM-UHFFFAOYSA-N 1 0 388.533 3.255 50 0 GGAARO CC[NH+]1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)CC1 ZINC000036618569 570760110 /nfs/dbraw/zinc/76/01/10/570760110.db2.gz XWYJKIFLGYNWJI-UHFFFAOYSA-N 1 0 378.423 3.240 50 0 GGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000065364710 570761168 /nfs/dbraw/zinc/76/11/68/570761168.db2.gz GPHDUXDFNFEJNH-UHFFFAOYSA-N 1 0 393.413 3.246 50 0 GGAARO COc1ccccc1OCC[N@@H+]1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000065373374 570761940 /nfs/dbraw/zinc/76/19/40/570761940.db2.gz YPDSAXCJPSPVGX-QGZVFWFLSA-N 1 0 380.448 3.399 50 0 GGAARO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065374309 570762648 /nfs/dbraw/zinc/76/26/48/570762648.db2.gz PSZUVGZRLULQOV-ZDUSSCGKSA-N 1 0 381.879 3.141 50 0 GGAARO COc1ccc(F)c(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000065374160 570762702 /nfs/dbraw/zinc/76/27/02/570762702.db2.gz LROPGSOQAASLJV-OAHLLOKOSA-N 1 0 383.939 3.336 50 0 GGAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3nnc(-c4ccc(C)n4C)o3)C2)c1 ZINC000065381255 570762971 /nfs/dbraw/zinc/76/29/71/570762971.db2.gz XCLFMRSTUBWOKQ-HNNXBMFYSA-N 1 0 382.464 3.390 50 0 GGAARO Cc1cc(-n2nc(C(C)C)nc2-c2nccnc2C(=O)N2CCCCC2)cc[nH+]1 ZINC000065382732 570763417 /nfs/dbraw/zinc/76/34/17/570763417.db2.gz MJQMSVXQWIWBPP-UHFFFAOYSA-N 1 0 391.479 3.177 50 0 GGAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)o1 ZINC000065386172 570763903 /nfs/dbraw/zinc/76/39/03/570763903.db2.gz FNICWFUCOASJCB-DLBZAZTESA-N 1 0 388.468 3.049 50 0 GGAARO COCC[NH+]1CCC(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)CC1 ZINC000065403917 570766454 /nfs/dbraw/zinc/76/64/54/570766454.db2.gz YKVUQGWTDTZGIL-QHCPKHFHSA-N 1 0 384.520 3.202 50 0 GGAARO CCn1ncnc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000065408556 570767115 /nfs/dbraw/zinc/76/71/15/570767115.db2.gz KODJCQOXTIGOLN-LJQANCHMSA-N 1 0 376.464 3.282 50 0 GGAARO C[C@@H](NC(=O)CC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O)c1ccccc1 ZINC000065420196 570767551 /nfs/dbraw/zinc/76/75/51/570767551.db2.gz GUUXQTIDYGSFHS-QGZVFWFLSA-N 1 0 392.503 3.153 50 0 GGAARO CCN(C(=O)CC[N@@H+]1CCCN(C(=O)c2ccco2)CC1)c1ccccc1C ZINC000065425322 570767761 /nfs/dbraw/zinc/76/77/61/570767761.db2.gz LBKCZXOZEGVNTK-UHFFFAOYSA-N 1 0 383.492 3.179 50 0 GGAARO CC(C)(C[N@@H+]1CC[C@H](c2ccnc(-c3cccc(O)c3)c2)C1)N1CCOCC1 ZINC000065459013 570769447 /nfs/dbraw/zinc/76/94/47/570769447.db2.gz HONTZRKEXIWQMH-FQEVSTJZSA-N 1 0 381.520 3.354 50 0 GGAARO Cc1c(C[N@H+](C)Cc2ccc3nsnc3c2)c(=O)n(-c2ccccc2)n1C ZINC000065495692 570770643 /nfs/dbraw/zinc/77/06/43/570770643.db2.gz OYSRQONJGXPERK-UHFFFAOYSA-N 1 0 379.489 3.121 50 0 GGAARO Cc1cc(-n2nc(C(C)C)nc2[C@@H]2CC(=O)N(c3cccc(O)c3)C2)cc[nH+]1 ZINC000065507072 570771061 /nfs/dbraw/zinc/77/10/61/570771061.db2.gz DMRCLNORIQMMCR-OAHLLOKOSA-N 1 0 377.448 3.320 50 0 GGAARO O=C(c1ccccc1)N1CCC([NH2+]Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000065499160 570771283 /nfs/dbraw/zinc/77/12/83/570771283.db2.gz RUDGKMCGJQVNSS-UHFFFAOYSA-N 1 0 378.451 3.406 50 0 GGAARO CC(=O)Nc1ccccc1NC(=O)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000065526315 570771667 /nfs/dbraw/zinc/77/16/67/570771667.db2.gz DQQNQQTZFUEFNC-UHFFFAOYSA-N 1 0 381.354 3.272 50 0 GGAARO COc1ccccc1NC(=S)N[C@H](C)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031510 570778172 /nfs/dbraw/zinc/77/81/72/570778172.db2.gz DAHNHJCGFXWVRJ-DYESRHJHSA-N 1 0 398.576 3.359 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cnn(C(C)C)c1 ZINC000583647642 570804029 /nfs/dbraw/zinc/80/40/29/570804029.db2.gz XCMIKKRHZHVNSQ-ICSRJNTNSA-N 1 0 376.545 3.207 50 0 biogenic GGAARO C[N@@H+]1CCc2ncnc(Sc3nnc(NCc4ccc(F)cc4)s3)c2C1 ZINC000299618276 570822874 /nfs/dbraw/zinc/82/28/74/570822874.db2.gz PVZOHLJUDZSJAU-UHFFFAOYSA-N 1 0 388.497 3.218 50 0 GGAARO Cc1cc(C[NH+]2CCC(CNC(=O)C(=O)Nc3ccccc3F)CC2)c(C)o1 ZINC000043941074 570841788 /nfs/dbraw/zinc/84/17/88/570841788.db2.gz UOXOKXQLNUBVSX-UHFFFAOYSA-N 1 0 387.455 3.002 50 0 GGAARO O=C(C=Cc1cccs1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004535531 570847000 /nfs/dbraw/zinc/84/70/00/570847000.db2.gz PXGXJSQVLPWPDE-CMDGGOBGSA-N 1 0 385.558 3.417 50 0 GGAARO COC(=O)c1ccc(C(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)cc1 ZINC000043972597 570847562 /nfs/dbraw/zinc/84/75/62/570847562.db2.gz YRJDDDNDILJUFJ-UHFFFAOYSA-N 1 0 384.476 3.325 50 0 GGAARO CCc1c(C(=O)NCC[C@@H]2CCC[N@@H+]2C)c(=O)cc(C)n1Cc1cccs1 ZINC000014973138 570867912 /nfs/dbraw/zinc/86/79/12/570867912.db2.gz HFDQQUIPUHWEDD-INIZCTEOSA-N 1 0 387.549 3.043 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)cc1OC ZINC000170613832 570870878 /nfs/dbraw/zinc/87/08/78/570870878.db2.gz RIJIGURABGYWQG-LPHOPBHVSA-N 1 0 398.507 3.088 50 0 GGAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004725543 570878192 /nfs/dbraw/zinc/87/81/92/570878192.db2.gz UCEFFVOOOWSIIH-UHFFFAOYSA-N 1 0 395.522 3.382 50 0 GGAARO O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015075426 570878290 /nfs/dbraw/zinc/87/82/90/570878290.db2.gz SYJKSDKYSNPOLC-NRFANRHFSA-N 1 0 395.547 3.315 50 0 GGAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000023115032 570908103 /nfs/dbraw/zinc/90/81/03/570908103.db2.gz ITWHFZUUHXUVHG-HZHDVADBSA-N 1 0 384.564 3.403 50 0 GGAARO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023114561 570908210 /nfs/dbraw/zinc/90/82/10/570908210.db2.gz BFYNSHLIXOBNKL-SCBMRQJBSA-N 1 0 388.527 3.294 50 0 GGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@@H](C)c2cn3ccsc3n2)CC1 ZINC000534637813 570912281 /nfs/dbraw/zinc/91/22/81/570912281.db2.gz OCUNJNTVXUFHPN-HNNXBMFYSA-N 1 0 384.509 3.082 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000023127504 570912372 /nfs/dbraw/zinc/91/23/72/570912372.db2.gz ABKQPERDCIJPHA-UHFFFAOYSA-N 1 0 389.883 3.208 50 0 GGAARO CC(C)c1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127505 570912434 /nfs/dbraw/zinc/91/24/34/570912434.db2.gz JLITWVSXRPFSAF-UHFFFAOYSA-N 1 0 383.492 3.370 50 0 GGAARO CCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127442 570912445 /nfs/dbraw/zinc/91/24/45/570912445.db2.gz IGXYMBWKLHBBIX-UHFFFAOYSA-N 1 0 379.504 3.216 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000023127412 570912533 /nfs/dbraw/zinc/91/25/33/570912533.db2.gz VIJPNKJTIKJQOT-UHFFFAOYSA-N 1 0 377.916 3.358 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000023127547 570912560 /nfs/dbraw/zinc/91/25/60/570912560.db2.gz YJOYGVMIVALIHF-UHFFFAOYSA-N 1 0 385.533 3.332 50 0 GGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000023127481 570912580 /nfs/dbraw/zinc/91/25/80/570912580.db2.gz QNAGUTFBQJTYTP-UHFFFAOYSA-N 1 0 393.846 3.039 50 0 GGAARO CCCc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127668 570912733 /nfs/dbraw/zinc/91/27/33/570912733.db2.gz QUKUMFRBCFLLPY-UHFFFAOYSA-N 1 0 376.522 3.423 50 0 GGAARO COc1c(C)cc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1C ZINC000023127689 570912904 /nfs/dbraw/zinc/91/29/04/570912904.db2.gz JMGHCXMUDJSJQP-UHFFFAOYSA-N 1 0 392.521 3.096 50 0 GGAARO Cc1cc(F)ccc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127651 570912951 /nfs/dbraw/zinc/91/29/51/570912951.db2.gz PQLDSCFWWLUKFX-UHFFFAOYSA-N 1 0 376.497 3.325 50 0 GGAARO COc1ccc(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127642 570913035 /nfs/dbraw/zinc/91/30/35/570913035.db2.gz HMFMUCIVBICBID-UHFFFAOYSA-N 1 0 388.533 3.194 50 0 GGAARO CCN(CCn1cccn1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534656896 570916002 /nfs/dbraw/zinc/91/60/02/570916002.db2.gz RMADHTFTYWRYHF-IBGZPJMESA-N 1 0 389.931 3.405 50 0 GGAARO Nc1ccnc(-c2cccc(C(=O)NCC3([NH+]4CCCCC4)CCCC3)c2)n1 ZINC000534649247 570917576 /nfs/dbraw/zinc/91/75/76/570917576.db2.gz AMCYPCGQJNRDAY-UHFFFAOYSA-N 1 0 379.508 3.085 50 0 GGAARO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)NCC1(O)CCCCC1 ZINC000534675403 570922917 /nfs/dbraw/zinc/92/29/17/570922917.db2.gz FQQCRLCYCVXCTB-SFHVURJKSA-N 1 0 379.932 3.471 50 0 GGAARO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)NCC1(O)CCCCC1 ZINC000534675402 570923175 /nfs/dbraw/zinc/92/31/75/570923175.db2.gz FQQCRLCYCVXCTB-GOSISDBHSA-N 1 0 379.932 3.471 50 0 GGAARO Cc1ccc(CN2C(=O)NC3(CC[NH+](Cc4ccc(C)cc4)CC3)C2=O)cc1 ZINC000017041284 570925197 /nfs/dbraw/zinc/92/51/97/570925197.db2.gz CAGQCOKFCLGFEH-UHFFFAOYSA-N 1 0 377.488 3.390 50 0 GGAARO COc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1OC ZINC000017014440 570937067 /nfs/dbraw/zinc/93/70/67/570937067.db2.gz HIWHEOIOKIRNIJ-UHFFFAOYSA-N 1 0 381.427 3.428 50 0 GGAARO C[N@@H+](Cc1ccccc1)C[C@@H](CN1CCC(NC(N)=O)CC1)c1ccccc1 ZINC000585138625 570951305 /nfs/dbraw/zinc/95/13/05/570951305.db2.gz RGWJTGGXYSLACW-NRFANRHFSA-N 1 0 380.536 3.035 50 0 GGAARO COc1ccc(-c2cc(C(F)F)nc(N3CC[N@@H+]4CCC[C@H]4C3)n2)cc1OC ZINC000252430962 570955935 /nfs/dbraw/zinc/95/59/35/570955935.db2.gz WCCCZKDASGKOQP-AWEZNQCLSA-N 1 0 390.434 3.383 50 0 GGAARO OCC[C@H]1CN(Cc2ccc3nsnc3c2)CC[N@@H+]1CCCc1ccccc1 ZINC000019219141 570962701 /nfs/dbraw/zinc/96/27/01/570962701.db2.gz NSBPRMHSUAOLOW-FQEVSTJZSA-N 1 0 396.560 3.193 50 0 GGAARO CNc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)ccn1 ZINC000019219232 570962888 /nfs/dbraw/zinc/96/28/88/570962888.db2.gz FLWMXXAAMJZPRU-QFIPXVFZSA-N 1 0 382.483 3.391 50 0 GGAARO CC[NH+](CC)CCN(C(=O)c1cc(C)nn1C)c1nc2ccc(F)cc2s1 ZINC000012229359 570972106 /nfs/dbraw/zinc/97/21/06/570972106.db2.gz KAYHAFAKRRHNKG-UHFFFAOYSA-N 1 0 389.500 3.466 50 0 GGAARO Cc1ccccc1-c1noc(CCC(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000044842084 570979826 /nfs/dbraw/zinc/97/98/26/570979826.db2.gz BWJKPOKZYROWOT-UHFFFAOYSA-N 1 0 382.508 3.455 50 0 GGAARO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1Cl ZINC000023211750 570980004 /nfs/dbraw/zinc/98/00/04/570980004.db2.gz DVFXUSXIEGGWJK-GOSISDBHSA-N 1 0 378.875 3.349 50 0 GGAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004784864 570989294 /nfs/dbraw/zinc/98/92/94/570989294.db2.gz GQDLBMHBPHUQJG-SFHVURJKSA-N 1 0 385.826 3.425 50 0 GGAARO CCOC(=O)c1c(NC(=O)CC[NH+]2CCCC2)sc2c1CC(C)(C)OC2 ZINC000004786022 570989888 /nfs/dbraw/zinc/98/98/88/570989888.db2.gz BRXSFNWKMXHOTR-UHFFFAOYSA-N 1 0 380.510 3.201 50 0 GGAARO COc1cccc(C(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)c1OC ZINC000023239866 570991341 /nfs/dbraw/zinc/99/13/41/570991341.db2.gz BRZGDNFLVLPNLU-LJQANCHMSA-N 1 0 381.476 3.228 50 0 GGAARO COc1cccc2c1CCc1c-2n[nH]c1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252549640 570994963 /nfs/dbraw/zinc/99/49/63/570994963.db2.gz RLSUBUSSJLDJHK-KXBFYZLASA-N 1 0 394.519 3.178 50 0 GGAARO CC[C@H](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000252585207 570996254 /nfs/dbraw/zinc/99/62/54/570996254.db2.gz HANDTSCJNTVQLR-XHIHJMKYSA-N 1 0 397.563 3.438 50 0 biogenic GGAARO C[C@H](CN1CC(c2ccccc2)(c2ccccc2)CCC1=O)N1CC[NH+](C)CC1 ZINC000091350735 571004084 /nfs/dbraw/zinc/00/40/84/571004084.db2.gz ZHIDYYBIVKVKDH-OAQYLSRUSA-N 1 0 391.559 3.231 50 0 GGAARO CN(CC1CC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091645478 571021864 /nfs/dbraw/zinc/02/18/64/571021864.db2.gz WOZYXUCWIFJOKW-JOCHJYFZSA-N 1 0 383.580 3.274 50 0 GGAARO COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)[NH2+]C2(C)C ZINC000004275263 571040775 /nfs/dbraw/zinc/04/07/75/571040775.db2.gz OFWYWKFKEHHMQJ-UHFFFAOYSA-N 1 0 387.505 3.267 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000095516389 571084026 /nfs/dbraw/zinc/08/40/26/571084026.db2.gz ASGQQZLINLQGFY-INIZCTEOSA-N 1 0 376.451 3.133 50 0 GGAARO CCn1c(C)ccc(C(=O)N(CCc2ccccc2)CC2CC[NH+](C)CC2)c1=O ZINC000095523232 571088712 /nfs/dbraw/zinc/08/87/12/571088712.db2.gz IWDOXMNCUKNJBK-UHFFFAOYSA-N 1 0 395.547 3.203 50 0 GGAARO CCOC(=O)C1C(C[NH+]2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000054979049 1406863532 /nfs/dbraw/zinc/86/35/32/1406863532.db2.gz UISKASFIXQBFMN-QYWGDWMGSA-N 1 0 399.535 3.452 50 0 GGAARO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000055220548 1406906212 /nfs/dbraw/zinc/90/62/12/1406906212.db2.gz YHOMBZDWEQPAKY-OXJNMPFZSA-N 1 0 385.508 3.349 50 0 GGAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCC2(CC1)OCCO2 ZINC000004028457 1398377168 /nfs/dbraw/zinc/37/71/68/1398377168.db2.gz CFXUYLZMHCGZFJ-VGUOSERISA-N 1 0 375.509 3.284 50 0 biogenic GGAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004280285 1398388692 /nfs/dbraw/zinc/38/86/92/1398388692.db2.gz FHBJHOVWVSGYKI-JOCHJYFZSA-N 1 0 382.504 3.339 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(CC[NH+](C)C)C3=O ZINC000008549484 1398840011 /nfs/dbraw/zinc/84/00/11/1398840011.db2.gz JEUXUBCPTRBMJM-FQEVSTJZSA-N 1 0 392.455 3.222 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(CC[NH+](C)C)C3=O ZINC000008549479 1398840023 /nfs/dbraw/zinc/84/00/23/1398840023.db2.gz XIKRHKUBYHQZMR-FQEVSTJZSA-N 1 0 392.455 3.222 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1F ZINC000008864269 1398847642 /nfs/dbraw/zinc/84/76/42/1398847642.db2.gz WPOYHDLYOKDFLL-QGZVFWFLSA-N 1 0 375.469 3.087 50 0 GGAARO COc1ccc([C@H](CNC(=O)COc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000008867655 1398847795 /nfs/dbraw/zinc/84/77/95/1398847795.db2.gz SDOFLRLQKIQFRM-FQEVSTJZSA-N 1 0 398.503 3.426 50 0 GGAARO O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008892832 1398848847 /nfs/dbraw/zinc/84/88/47/1398848847.db2.gz OUDGJFBMEXIECL-LJQANCHMSA-N 1 0 385.533 3.098 50 0 GGAARO CCCCOc1ccc(C(=O)N2CCN(c3nc(NCC)cc(C)[nH+]3)CC2)cc1 ZINC000009620441 1398861308 /nfs/dbraw/zinc/86/13/08/1398861308.db2.gz GTIUKQPVSIGSTE-UHFFFAOYSA-N 1 0 397.523 3.358 50 0 GGAARO COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCCC[NH+](C)C)cc1 ZINC000010312825 1398885808 /nfs/dbraw/zinc/88/58/08/1398885808.db2.gz QLLBTIRNMGRSFZ-SDNWHVSQSA-N 1 0 381.476 3.029 50 0 GGAARO Cc1ccn2cc(C(=O)N(C)[C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)nc2c1 ZINC000011663732 1399003188 /nfs/dbraw/zinc/00/31/88/1399003188.db2.gz FTTPDBLZUHAEQN-HXUWFJFHSA-N 1 0 388.515 3.347 50 0 GGAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)O1 ZINC000011788795 1399012411 /nfs/dbraw/zinc/01/24/11/1399012411.db2.gz JGBKSBMMYAXPHI-NRFANRHFSA-N 1 0 396.535 3.158 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)nn1 ZINC000011788440 1399012419 /nfs/dbraw/zinc/01/24/19/1399012419.db2.gz UEVGMRWJHLYDHQ-KRWDZBQOSA-N 1 0 375.904 3.251 50 0 GGAARO Cc1ccnn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011816027 1399013783 /nfs/dbraw/zinc/01/37/83/1399013783.db2.gz NEAQBYZULQJILF-QHCPKHFHSA-N 1 0 380.536 3.405 50 0 GGAARO c1c[nH]c(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011819466 1399014428 /nfs/dbraw/zinc/01/44/28/1399014428.db2.gz GPRZYPKFNTZLIY-QHCPKHFHSA-N 1 0 394.563 3.270 50 0 GGAARO O=C(NC1CCCC1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000011839398 1399015212 /nfs/dbraw/zinc/01/52/12/1399015212.db2.gz BPILOZFLHQZOCT-NRFANRHFSA-N 1 0 383.580 3.464 50 0 GGAARO CC1(C)[C@@H]2C[C@H]1C(CN1CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC1)=CC2 ZINC000011874379 1399016033 /nfs/dbraw/zinc/01/60/33/1399016033.db2.gz KKGGMQUAMCEUGA-UGKGYDQZSA-N 1 0 385.596 3.434 50 0 GGAARO CC(=O)c1cc(CC(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)cs1 ZINC000011934251 1399018310 /nfs/dbraw/zinc/01/83/10/1399018310.db2.gz YHSDSNUCHFAKIR-LJQANCHMSA-N 1 0 385.533 3.054 50 0 GGAARO O=C(NCc1ccco1)[C@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000011970315 1399021601 /nfs/dbraw/zinc/02/16/01/1399021601.db2.gz XJLWCKJROLNYFA-MRXNPFEDSA-N 1 0 382.489 3.203 50 0 GGAARO Cc1c([C@H](C)[NH2+]Cc2cnc(N3CCOCC3)s2)cnn1-c1ccccc1 ZINC000012058467 1399025947 /nfs/dbraw/zinc/02/59/47/1399025947.db2.gz LDBWBGDPHIUSSF-HNNXBMFYSA-N 1 0 383.521 3.325 50 0 GGAARO COc1ccccc1C[NH+]1CCC2(C[C@@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000012055810 1399025972 /nfs/dbraw/zinc/02/59/72/1399025972.db2.gz GCKONPNTRKFTPI-GOSISDBHSA-N 1 0 385.533 3.412 50 0 GGAARO Cc1ccc(CNc2ncnc3sc(C(=O)N4CC[C@H]([NH+](C)C)C4)c(C)c32)o1 ZINC000012079288 1399028156 /nfs/dbraw/zinc/02/81/56/1399028156.db2.gz AEUIYPWREPMJHE-AWEZNQCLSA-N 1 0 399.520 3.289 50 0 GGAARO CCOc1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)ccc1O ZINC000012111779 1399030233 /nfs/dbraw/zinc/03/02/33/1399030233.db2.gz UIWJNTVYRNDXPE-UHFFFAOYSA-N 1 0 384.480 3.173 50 0 GGAARO COc1cccc(CCNC(=O)[C@@H]2CC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000012151698 1399030774 /nfs/dbraw/zinc/03/07/74/1399030774.db2.gz OVAILYMQTBXKNR-NRFANRHFSA-N 1 0 379.504 3.051 50 0 GGAARO CCN(CC)C(=O)c1cn(C2CC[NH+](Cc3cccc4cccnc43)CC2)nn1 ZINC000012190329 1399032706 /nfs/dbraw/zinc/03/27/06/1399032706.db2.gz FALBUDNFHJXXEU-UHFFFAOYSA-N 1 0 392.507 3.145 50 0 GGAARO Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C2CCCCC2)C4)cn1 ZINC000012191039 1399032709 /nfs/dbraw/zinc/03/27/09/1399032709.db2.gz KDBHXUNHXQEAGI-INIZCTEOSA-N 1 0 397.548 3.019 50 0 GGAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+][C@H]2CCCCNC2=O)o1 ZINC000012197637 1399033212 /nfs/dbraw/zinc/03/32/12/1399033212.db2.gz JMMIDTKNQARXGB-SFHVURJKSA-N 1 0 382.439 3.338 50 0 GGAARO COc1cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)cc2c1OCO2 ZINC000012208860 1399033367 /nfs/dbraw/zinc/03/33/67/1399033367.db2.gz GCWVZUPNLRREJP-YHEJKZAPSA-N 1 0 384.476 3.104 50 0 GGAARO COC(=O)CCCC(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012207418 1399033616 /nfs/dbraw/zinc/03/36/16/1399033616.db2.gz BHRLJKXUWACNDN-UHFFFAOYSA-N 1 0 394.943 3.396 50 0 GGAARO COc1ccccc1/C=C/C[NH+]1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 ZINC000012213657 1399033654 /nfs/dbraw/zinc/03/36/54/1399033654.db2.gz XMZVPDFLIFZYHY-SOFGYWHQSA-N 1 0 397.523 3.023 50 0 GGAARO CC[NH+](CC)CCN(C(=O)c1cc(C)nn1C)c1nc2c(cccc2F)s1 ZINC000012229388 1399033872 /nfs/dbraw/zinc/03/38/72/1399033872.db2.gz RWQYFBLEYSBWSA-UHFFFAOYSA-N 1 0 389.500 3.466 50 0 GGAARO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2ccccn2)C[N@@H+]1C1Cc2ccccc2C1 ZINC000012242970 1399034000 /nfs/dbraw/zinc/03/40/00/1399034000.db2.gz HFNZBPIVDHXCFO-UXHICEINSA-N 1 0 379.529 3.063 50 0 GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)n(C)n1 ZINC000012229390 1399034155 /nfs/dbraw/zinc/03/41/55/1399034155.db2.gz ZGCKKVWSTDKWKZ-UHFFFAOYSA-N 1 0 375.473 3.076 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cn1ccc(C)n1 ZINC000012297652 1399036566 /nfs/dbraw/zinc/03/65/66/1399036566.db2.gz ZNJDJIFXUWKFRT-FQEVSTJZSA-N 1 0 386.515 3.134 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)Cc2ccccn2)CC1 ZINC000012297925 1399036691 /nfs/dbraw/zinc/03/66/91/1399036691.db2.gz NOKFGEBSVATRRU-UHFFFAOYSA-N 1 0 381.520 3.046 50 0 GGAARO COc1ccccc1OCC(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012299580 1399036885 /nfs/dbraw/zinc/03/68/85/1399036885.db2.gz SFDAWVLWMLOUFW-HXUWFJFHSA-N 1 0 382.504 3.240 50 0 GGAARO Cc1nonc1C(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012302884 1399037219 /nfs/dbraw/zinc/03/72/19/1399037219.db2.gz SDRPHUSSBPIACH-KRWDZBQOSA-N 1 0 388.899 3.406 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000012304543 1399037236 /nfs/dbraw/zinc/03/72/36/1399037236.db2.gz DKZBUKKCUIOFJT-UHFFFAOYSA-N 1 0 381.476 3.026 50 0 GGAARO Cn1cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012305962 1399037489 /nfs/dbraw/zinc/03/74/89/1399037489.db2.gz XLENOVQUSQBMCE-HXUWFJFHSA-N 1 0 399.926 3.420 50 0 GGAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)c(F)c1 ZINC000012316150 1399038083 /nfs/dbraw/zinc/03/80/83/1399038083.db2.gz SIKMJJBUQZFLHA-AWEZNQCLSA-N 1 0 384.434 3.151 50 0 GGAARO CC(C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000012316101 1399038216 /nfs/dbraw/zinc/03/82/16/1399038216.db2.gz YVIPRSQFFMAZHM-NRFANRHFSA-N 1 0 399.579 3.094 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4n[nH]c5c4CCC5)C3)C2)c1 ZINC000012307314 1399038392 /nfs/dbraw/zinc/03/83/92/1399038392.db2.gz DPBYMTNSAYHONY-HSZRJFAPSA-N 1 0 394.519 3.035 50 0 GGAARO COCCN1CCC[C@@]2(CC[N@@H+](C3CCN(c4ccccc4OC)CC3)C2)C1 ZINC000012307516 1399038608 /nfs/dbraw/zinc/03/86/08/1399038608.db2.gz IYHISGIGMFLFCL-HSZRJFAPSA-N 1 0 387.568 3.098 50 0 GGAARO O=C(CCC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)NCc1cccnc1 ZINC000012318134 1399039305 /nfs/dbraw/zinc/03/93/05/1399039305.db2.gz MHKJBBZHXMYPCK-UHFFFAOYSA-N 1 0 395.503 3.161 50 0 GGAARO O=C1NCCN1c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cc1 ZINC000012318895 1399039444 /nfs/dbraw/zinc/03/94/44/1399039444.db2.gz RQXJGNDVHBCVPQ-GOSISDBHSA-N 1 0 394.475 3.021 50 0 GGAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)cn1 ZINC000012372822 1399039912 /nfs/dbraw/zinc/03/99/12/1399039912.db2.gz NGPLARKOGDJEHK-NRFANRHFSA-N 1 0 386.446 3.078 50 0 GGAARO COC(=O)c1ccccc1C(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000012430004 1399042070 /nfs/dbraw/zinc/04/20/70/1399042070.db2.gz XCEAKVQDPVERHB-HXUWFJFHSA-N 1 0 394.515 3.500 50 0 GGAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCCO1 ZINC000012434580 1399042226 /nfs/dbraw/zinc/04/22/26/1399042226.db2.gz JUTSBSIVSQNDGX-UHFFFAOYSA-N 1 0 381.476 3.293 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012429798 1399042240 /nfs/dbraw/zinc/04/22/40/1399042240.db2.gz WLRXRWAAXJYNLC-UHFFFAOYSA-N 1 0 391.504 3.149 50 0 GGAARO COC(=O)c1ccccc1C(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000012430005 1399042304 /nfs/dbraw/zinc/04/23/04/1399042304.db2.gz XCEAKVQDPVERHB-FQEVSTJZSA-N 1 0 394.515 3.500 50 0 GGAARO CN(C)c1ccc(CCC(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012435756 1399042905 /nfs/dbraw/zinc/04/29/05/1399042905.db2.gz NFEIOLCWLIBIBQ-QFIPXVFZSA-N 1 0 391.559 3.433 50 0 GGAARO CN(C)c1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012435753 1399043055 /nfs/dbraw/zinc/04/30/55/1399043055.db2.gz NFEIOLCWLIBIBQ-JOCHJYFZSA-N 1 0 391.559 3.433 50 0 GGAARO Cc1ccc2nc(C(=O)N3CCC[C@H]([N@H+](C)CCc4ccccc4)C3)cn2c1 ZINC000012444907 1399043069 /nfs/dbraw/zinc/04/30/69/1399043069.db2.gz QFKMJAWNYHLVPZ-FQEVSTJZSA-N 1 0 376.504 3.422 50 0 GGAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000012455774 1399043557 /nfs/dbraw/zinc/04/35/57/1399043557.db2.gz FYJCZEKPOMHNTE-FQEVSTJZSA-N 1 0 394.523 3.041 50 0 GGAARO COCC[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(C)=O)CC1 ZINC000012455410 1399043696 /nfs/dbraw/zinc/04/36/96/1399043696.db2.gz WMTUWGZUCKERET-DEOSSOPVSA-N 1 0 395.547 3.400 50 0 GGAARO Cc1ccccc1Cn1cc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)nn1 ZINC000012454341 1399044021 /nfs/dbraw/zinc/04/40/21/1399044021.db2.gz HQRSXXSOALMBJQ-UHFFFAOYSA-N 1 0 381.524 3.115 50 0 GGAARO Cn1cc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000012458106 1399044041 /nfs/dbraw/zinc/04/40/41/1399044041.db2.gz LOJORQKAHIXJTR-JOCHJYFZSA-N 1 0 384.499 3.007 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000012467989 1399044538 /nfs/dbraw/zinc/04/45/38/1399044538.db2.gz JDGDFQOBHDADAJ-IBGZPJMESA-N 1 0 398.576 3.476 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000012467984 1399044582 /nfs/dbraw/zinc/04/45/82/1399044582.db2.gz JDGDFQOBHDADAJ-LJQANCHMSA-N 1 0 398.576 3.476 50 0 GGAARO COc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)c(C)c1 ZINC000012570676 1399047261 /nfs/dbraw/zinc/04/72/61/1399047261.db2.gz YIBFIBKZIOOEEJ-MRXNPFEDSA-N 1 0 383.496 3.320 50 0 GGAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000012574704 1399047551 /nfs/dbraw/zinc/04/75/51/1399047551.db2.gz ROWRMDDNBFZKIK-HSZRJFAPSA-N 1 0 386.536 3.275 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1cn(C2CCCCC2)nn1 ZINC000012582002 1399048544 /nfs/dbraw/zinc/04/85/44/1399048544.db2.gz ULMFAYKJTAIHBV-IBGZPJMESA-N 1 0 381.524 3.393 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](CC2=Cc3cc(OC)ccc3OC2)C1 ZINC000012587396 1399048601 /nfs/dbraw/zinc/04/86/01/1399048601.db2.gz MGLNVGGFNLIOLI-JOCHJYFZSA-N 1 0 389.492 3.153 50 0 GGAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000012597015 1399049955 /nfs/dbraw/zinc/04/99/55/1399049955.db2.gz POHOVTGVQCZHGZ-QFIPXVFZSA-N 1 0 392.547 3.424 50 0 GGAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCC5(CC4)OCCO5)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012659765 1399051692 /nfs/dbraw/zinc/05/16/92/1399051692.db2.gz CFXUYLZMHCGZFJ-SHJAMOMRSA-N 1 0 375.509 3.284 50 0 biogenic GGAARO Nc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1 ZINC000012711687 1399054774 /nfs/dbraw/zinc/05/47/74/1399054774.db2.gz SHVGVEUOWYNGHN-KRWDZBQOSA-N 1 0 377.448 3.170 50 0 GGAARO O=C(C1CCOCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012718418 1399055292 /nfs/dbraw/zinc/05/52/92/1399055292.db2.gz KNKWWRDQFPFPKO-NRFANRHFSA-N 1 0 378.463 3.206 50 0 GGAARO O=C(c1ccc(=O)[nH]c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012718061 1399055574 /nfs/dbraw/zinc/05/55/74/1399055574.db2.gz SHMDELXUSIQYQJ-OAQYLSRUSA-N 1 0 387.430 3.194 50 0 GGAARO C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012745149 1399057673 /nfs/dbraw/zinc/05/76/73/1399057673.db2.gz BWNRZUMUWRAIAM-NRFANRHFSA-N 1 0 392.421 3.089 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)C2=CCCCC2)CC1 ZINC000012755342 1399058186 /nfs/dbraw/zinc/05/81/86/1399058186.db2.gz APVYHDKHAVSYFF-HXUWFJFHSA-N 1 0 375.557 3.106 50 0 GGAARO COc1cc(C(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000013011458 1399071900 /nfs/dbraw/zinc/07/19/00/1399071900.db2.gz OVRLRALSGOPTMK-MRXNPFEDSA-N 1 0 390.505 3.341 50 0 GGAARO O=C1C[N@@H+](C2CCCC2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 ZINC000014541909 1399109734 /nfs/dbraw/zinc/10/97/34/1399109734.db2.gz LUMHYGLOMCSTFJ-QHCPKHFHSA-N 1 0 393.531 3.296 50 0 GGAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCCOC ZINC000014745253 1399117790 /nfs/dbraw/zinc/11/77/90/1399117790.db2.gz LSHKWVHATNWPPG-SFHVURJKSA-N 1 0 387.524 3.120 50 0 GGAARO Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)NCc4cccs4)nn3C)C2)cc1 ZINC000014746326 1399117827 /nfs/dbraw/zinc/11/78/27/1399117827.db2.gz VGIHTQWMXANVAQ-KRWDZBQOSA-N 1 0 394.544 3.367 50 0 GGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1OC ZINC000014959029 1399128555 /nfs/dbraw/zinc/12/85/55/1399128555.db2.gz CNTJKPVSUWLLDK-HSZRJFAPSA-N 1 0 398.551 3.279 50 0 GGAARO CC1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)c(=O)[nH]2)CC1 ZINC000014954502 1399128773 /nfs/dbraw/zinc/12/87/73/1399128773.db2.gz IWYPSFAKYQYBHW-NRFANRHFSA-N 1 0 379.504 3.414 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000014958360 1399128919 /nfs/dbraw/zinc/12/89/19/1399128919.db2.gz ILKOFAFPBHQIDN-ZDUSSCGKSA-N 1 0 381.835 3.260 50 0 GGAARO Cc1c(CNC(=O)COc2ccc(-c3ccccc3)cc2C[NH+](C)C)cnn1C ZINC000014991819 1399130239 /nfs/dbraw/zinc/13/02/39/1399130239.db2.gz WOBPHKYRWRFUBC-UHFFFAOYSA-N 1 0 392.503 3.152 50 0 GGAARO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCCCC2)[nH]c1=O ZINC000014992785 1399130252 /nfs/dbraw/zinc/13/02/52/1399130252.db2.gz DCWQWOQVXJBMBG-UHFFFAOYSA-N 1 0 393.409 3.310 50 0 GGAARO CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1ccc(C)c(C)c1)CC2)C(C)C ZINC000014991071 1399130382 /nfs/dbraw/zinc/13/03/82/1399130382.db2.gz GUQQNEQIRAKYRT-OAQYLSRUSA-N 1 0 383.540 3.177 50 0 GGAARO C=CCN1C(=O)C[C@H](C(=O)OC)C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000015006129 1399130746 /nfs/dbraw/zinc/13/07/46/1399130746.db2.gz OIPPUNCSJWACDI-FUHWJXTLSA-N 1 0 388.508 3.124 50 0 GGAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000015004385 1399130880 /nfs/dbraw/zinc/13/08/80/1399130880.db2.gz BYMJTXCJOIIRJC-MSOLQXFVSA-N 1 0 392.927 3.496 50 0 GGAARO CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)CC1 ZINC000015071666 1399135831 /nfs/dbraw/zinc/13/58/31/1399135831.db2.gz SKMDVXWUOKFVCY-UHFFFAOYSA-N 1 0 398.532 3.107 50 0 GGAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cn1 ZINC000015074359 1399136533 /nfs/dbraw/zinc/13/65/33/1399136533.db2.gz YPTJTPYJCCXNCC-UHFFFAOYSA-N 1 0 392.507 3.118 50 0 GGAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000015074942 1399136906 /nfs/dbraw/zinc/13/69/06/1399136906.db2.gz KSCLFIOVWZYXMS-BGVYSJOJSA-N 1 0 397.563 3.271 50 0 GGAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000015079550 1399137391 /nfs/dbraw/zinc/13/73/91/1399137391.db2.gz IDHRCYKNJBKVJK-OAHLLOKOSA-N 1 0 378.538 3.041 50 0 GGAARO CSCC[NH2+][C@@H]1CCc2c(sc3ncn(CCCOC(C)C)c(=O)c23)C1 ZINC000019228360 1399328545 /nfs/dbraw/zinc/32/85/45/1399328545.db2.gz BNKYACJVURRMTM-CQSZACIVSA-N 1 0 395.594 3.083 50 0 GGAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)CC1 ZINC000019225283 1399328811 /nfs/dbraw/zinc/32/88/11/1399328811.db2.gz PWMMYRBLEZDTBE-IBGZPJMESA-N 1 0 380.536 3.001 50 0 GGAARO COc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc(OC)c1 ZINC000019300788 1399329230 /nfs/dbraw/zinc/32/92/30/1399329230.db2.gz RWQBSCDFDPQNCR-QFIPXVFZSA-N 1 0 398.547 3.205 50 0 GGAARO O=c1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)[nH]c2ccccc12 ZINC000019595320 1399331798 /nfs/dbraw/zinc/33/17/98/1399331798.db2.gz UPYDZPNCHNWULR-HXUWFJFHSA-N 1 0 383.536 3.389 50 0 GGAARO C[C@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000019850811 1399339184 /nfs/dbraw/zinc/33/91/84/1399339184.db2.gz MDIFEKUOJODMCH-MOPGFXCFSA-N 1 0 395.551 3.436 50 0 GGAARO C[C@@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000019850814 1399339643 /nfs/dbraw/zinc/33/96/43/1399339643.db2.gz MDIFEKUOJODMCH-RBUKOAKNSA-N 1 0 395.551 3.436 50 0 GGAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000020450905 1399346714 /nfs/dbraw/zinc/34/67/14/1399346714.db2.gz UVAZZGGGDPHMAZ-GOSISDBHSA-N 1 0 397.485 3.084 50 0 GGAARO Cc1ccc(CC(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)cc1 ZINC000020472869 1399347372 /nfs/dbraw/zinc/34/73/72/1399347372.db2.gz WFTFJYWMYICFMR-PKTZIBPZSA-N 1 0 378.516 3.075 50 0 GGAARO Cc1ccc2[nH]c(CCC(=O)N3CCN(c4cc[nH+]cc4C)CC3)nc2c1C ZINC000020454438 1399347468 /nfs/dbraw/zinc/34/74/68/1399347468.db2.gz VSQCYRICJRGBAV-UHFFFAOYSA-N 1 0 377.492 3.165 50 0 GGAARO O=c1cc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)[nH]c2ccccc12 ZINC000020600828 1399349684 /nfs/dbraw/zinc/34/96/84/1399349684.db2.gz HJNQAPKUVOGDOH-OAQYLSRUSA-N 1 0 391.515 3.052 50 0 GGAARO CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762421 1399353036 /nfs/dbraw/zinc/35/30/36/1399353036.db2.gz RKBQDLCMQFHCOX-PXNSSMCTSA-N 1 0 381.524 3.075 50 0 biogenic GGAARO OCC[C@H]1CN(Cc2cccc3cnccc32)CC[N@@H+]1CCc1ccccc1 ZINC000020908844 1399356758 /nfs/dbraw/zinc/35/67/58/1399356758.db2.gz MHJXOBWEFUDAKV-QHCPKHFHSA-N 1 0 375.516 3.346 50 0 GGAARO Cn1cccc1[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000021152884 1399367213 /nfs/dbraw/zinc/36/72/13/1399367213.db2.gz QQIUDVGMRSJRED-GOSISDBHSA-N 1 0 395.334 3.050 50 0 GGAARO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579753 1399479205 /nfs/dbraw/zinc/47/92/05/1399479205.db2.gz MYLSQZFNBGYTNW-FQEVSTJZSA-N 1 0 387.911 3.067 50 0 GGAARO CCn1cc(C[N@@H+]2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912063 1399516675 /nfs/dbraw/zinc/51/66/75/1399516675.db2.gz PZIKXJIEEDDTHF-NRFANRHFSA-N 1 0 398.551 3.251 50 0 GGAARO CN1CCN(C(=O)c2ccc([C@H]3CCC[N@@H+]3CCc3ccccc3)s2)CC1=O ZINC000023159405 1399536072 /nfs/dbraw/zinc/53/60/72/1399536072.db2.gz YYSNZKYAHFGNBP-GOSISDBHSA-N 1 0 397.544 3.042 50 0 GGAARO Cc1nccn1-c1ccc(N2CCC([NH2+]CCc3nc(C(C)C)no3)CC2)cc1 ZINC000023214870 1399541151 /nfs/dbraw/zinc/54/11/51/1399541151.db2.gz AJYLRXMKAWHTHI-UHFFFAOYSA-N 1 0 394.523 3.488 50 0 GGAARO O=C(Nc1ccnn1C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000023361264 1399553008 /nfs/dbraw/zinc/55/30/08/1399553008.db2.gz UEYRGTMZMQXZLA-OAQYLSRUSA-N 1 0 393.535 3.143 50 0 GGAARO C[C@H]1C[N@H+](C)CCCN1Cc1ccccc1-c1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000023398869 1399556956 /nfs/dbraw/zinc/55/69/56/1399556956.db2.gz LBLNETMRONAJIA-KRWDZBQOSA-N 1 0 389.503 3.025 50 0 GGAARO Cc1nnc(C[NH2+]C2CCN(c3ccc(-n4cnc5ccccc54)cc3)CC2)[nH]1 ZINC000023479219 1399563281 /nfs/dbraw/zinc/56/32/81/1399563281.db2.gz PFWDLTHOOQLVPN-UHFFFAOYSA-N 1 0 387.491 3.211 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000023478411 1399563469 /nfs/dbraw/zinc/56/34/69/1399563469.db2.gz LHHXLJGIJYQBHO-OAHLLOKOSA-N 1 0 376.451 3.007 50 0 GGAARO Cc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)C[C@H]2COc3ccccc3O2)n1 ZINC000023505925 1399566475 /nfs/dbraw/zinc/56/64/75/1399566475.db2.gz AYVVDDIIGLACQC-KRWDZBQOSA-N 1 0 377.444 3.017 50 0 GGAARO O=c1cc(-c2ccc(F)cc2)nc(-c2ccc(CN3CCC[NH2+]CC3)cc2)[nH]1 ZINC000023543237 1399569418 /nfs/dbraw/zinc/56/94/18/1399569418.db2.gz ZRWRDLXHNXTURC-UHFFFAOYSA-N 1 0 378.451 3.038 50 0 GGAARO COc1ccc(-c2cc(=O)[nH]c(-c3ccccc3C[N@@H+]3CCCOCC3)n2)cc1 ZINC000048501620 1405209682 /nfs/dbraw/zinc/20/96/82/1405209682.db2.gz UGJCCYWNLGUQLM-UHFFFAOYSA-N 1 0 391.471 3.335 50 0 GGAARO CC(C)C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057251242 1407568514 /nfs/dbraw/zinc/56/85/14/1407568514.db2.gz CDAHIWMTTPJSER-UHFFFAOYSA-N 1 0 396.560 3.478 50 0 GGAARO Cc1cc(Cl)ccc1-n1nc(CC(C)C)nc1C[C@@H]1C[N@H+](C)CCN1C ZINC000065376481 1408664156 /nfs/dbraw/zinc/66/41/56/1408664156.db2.gz QMGRSUJYOXRFTF-QGZVFWFLSA-N 1 0 375.948 3.216 50 0 GGAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3ccoc3)CC2)CC1 ZINC000067868584 1409246865 /nfs/dbraw/zinc/24/68/65/1409246865.db2.gz FXEMDNHZLXOWTH-UHFFFAOYSA-N 1 0 396.535 3.123 50 0 GGAARO COCCO[C@H]1[C@H](NC(=O)CC2CCCC2)c2ccccc2C12CC[NH2+]CC2 ZINC000072129778 1409849118 /nfs/dbraw/zinc/84/91/18/1409849118.db2.gz YESFWBCGHGSCPW-YADHBBJMSA-N 1 0 386.536 3.091 50 0 GGAARO Cn1cc([C@H](CNS(=O)(=O)/C=C/c2ccccc2)[NH+](C)C)c2ccccc21 ZINC000077171686 1409893798 /nfs/dbraw/zinc/89/37/98/1409893798.db2.gz JIPHYEMZDIUOMH-ARKBFRDHSA-N 1 0 383.517 3.371 50 0 GGAARO Cn1cc([C@@H](CNS(=O)(=O)/C=C/c2ccccc2)[NH+](C)C)c2ccccc21 ZINC000077171685 1409893882 /nfs/dbraw/zinc/89/38/82/1409893882.db2.gz JIPHYEMZDIUOMH-QZMUEMGWSA-N 1 0 383.517 3.371 50 0 GGAARO O=C(CC1CCCC1)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077200555 1409894207 /nfs/dbraw/zinc/89/42/07/1409894207.db2.gz CUBYLVAKUXETDC-UHFFFAOYSA-N 1 0 379.508 3.318 50 0 GGAARO COc1ccc(C2(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000079190670 1409962091 /nfs/dbraw/zinc/96/20/91/1409962091.db2.gz YRQHCXSQBVFHCJ-GHTZIAJQSA-N 1 0 386.536 3.124 50 0 biogenic GGAARO O=c1[nH]c(-c2cccc(C[N@H+]3CC[C@@](O)(c4ccccc4)C3)c2)nc2c1CCC2 ZINC000082039525 1410026158 /nfs/dbraw/zinc/02/61/58/1410026158.db2.gz XXBZCMOBBQYRRM-DEOSSOPVSA-N 1 0 387.483 3.019 50 0 GGAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000091289599 1410072512 /nfs/dbraw/zinc/07/25/12/1410072512.db2.gz RCUQGJYUILPENQ-UHFFFAOYSA-N 1 0 380.540 3.227 50 0 GGAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000096347277 1410328311 /nfs/dbraw/zinc/32/83/11/1410328311.db2.gz ZKDUTAJCMSJFIW-AWEZNQCLSA-N 1 0 386.521 3.150 50 0 GGAARO O=C(Cc1[nH]nc2ccccc21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000101531535 1410451014 /nfs/dbraw/zinc/45/10/14/1410451014.db2.gz YDJBJAZGNRLJAR-UHFFFAOYSA-N 1 0 376.504 3.273 50 0 GGAARO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1-n1nc(C)cc1C ZINC000226848119 1433368879 /nfs/dbraw/zinc/36/88/79/1433368879.db2.gz LJJRZIPZDWKLFW-PMACEKPBSA-N 1 0 396.535 3.492 50 0 biogenic GGAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230000298 1433372226 /nfs/dbraw/zinc/37/22/26/1433372226.db2.gz FFEYSIPRSWWECA-LPHOPBHVSA-N 1 0 382.508 3.039 50 0 GGAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000230208970 1433372725 /nfs/dbraw/zinc/37/27/25/1433372725.db2.gz YHPWCOWFBXAUTA-WMZOPIPTSA-N 1 0 398.507 3.088 50 0 biogenic GGAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000230205564 1433372737 /nfs/dbraw/zinc/37/27/37/1433372737.db2.gz YUXAODGCWGZBGA-BEFAXECRSA-N 1 0 398.507 3.088 50 0 biogenic GGAARO O=S(=O)(Cc1ccccc1F)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000238872516 1433445594 /nfs/dbraw/zinc/44/55/94/1433445594.db2.gz NGDOBUFEMXGJFC-UHFFFAOYSA-N 1 0 394.537 3.240 50 0 GGAARO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C)cc1 ZINC000253483613 1433868029 /nfs/dbraw/zinc/86/80/29/1433868029.db2.gz CIURKCQXEYADEO-DQLDELGASA-N 1 0 379.504 3.179 50 0 GGAARO CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C)cc1 ZINC000253483614 1433868051 /nfs/dbraw/zinc/86/80/51/1433868051.db2.gz CIURKCQXEYADEO-ZLGUVYLKSA-N 1 0 379.504 3.179 50 0 GGAARO CCOC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000253487651 1433868053 /nfs/dbraw/zinc/86/80/53/1433868053.db2.gz NGNDKPBQSHRIRV-JFVFVSPTSA-N 1 0 390.524 3.075 50 0 GGAARO O=C(CSc1ccc(Cl)cc1)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000222588073 222610548 /nfs/dbraw/zinc/61/05/48/222610548.db2.gz DJHLKDHTHPHAGJ-UHFFFAOYSA-N 1 0 382.957 3.129 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014742411 230890439 /nfs/dbraw/zinc/89/04/39/230890439.db2.gz UQKBNRNBNYXRFW-LJQANCHMSA-N 1 0 392.547 3.143 50 0 GGAARO CC[C@@H]1CN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CC[N@@H+]1C(C)C ZINC000426486127 529381373 /nfs/dbraw/zinc/38/13/73/529381373.db2.gz YOKRCMVDXPAMPV-LJQANCHMSA-N 1 0 379.504 3.397 50 0 GGAARO Nc1ncccc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091973867 230972320 /nfs/dbraw/zinc/97/23/20/230972320.db2.gz HLSJHJMWHBIXEA-NRFANRHFSA-N 1 0 390.531 3.425 50 0 GGAARO COCCN(Cc1ccc(OC)cc1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095352698 230976498 /nfs/dbraw/zinc/97/64/98/230976498.db2.gz HVTNRDQXMHDPSZ-NRFANRHFSA-N 1 0 382.504 3.451 50 0 GGAARO O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095381943 230984690 /nfs/dbraw/zinc/98/46/90/230984690.db2.gz FHBHFVOCAPZAQB-FQEVSTJZSA-N 1 0 377.488 3.210 50 0 GGAARO O=C(NCc1cnn(Cc2ccccc2)c1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000426424372 231219965 /nfs/dbraw/zinc/21/99/65/231219965.db2.gz PWZFMGXNPRNENI-UHFFFAOYSA-N 1 0 395.551 3.481 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC(c2ccncc2)C1 ZINC000426386943 231212552 /nfs/dbraw/zinc/21/25/52/231212552.db2.gz RRVQHMMDWDDNQW-HXUWFJFHSA-N 1 0 378.520 3.145 50 0 GGAARO Cc1c(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cnc2ccnn21 ZINC000426388127 231212916 /nfs/dbraw/zinc/21/29/16/231212916.db2.gz HGCLQZJOXVJHAR-FQEVSTJZSA-N 1 0 377.492 3.467 50 0 GGAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000426485565 231225861 /nfs/dbraw/zinc/22/58/61/231225861.db2.gz CMBKJJIWNSPWTI-IBGZPJMESA-N 1 0 389.503 3.336 50 0 GGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC(OCc2ccccc2F)C1 ZINC000426489586 231227725 /nfs/dbraw/zinc/22/77/25/231227725.db2.gz HAIAGGLMASECNA-IBGZPJMESA-N 1 0 383.467 3.011 50 0 GGAARO Cc1sc2ncnc(-c3cccc(C(=O)N4CC[C@H]5C[NH2+]C[C@H]54)c3)c2c1C ZINC000426641478 231247641 /nfs/dbraw/zinc/24/76/41/231247641.db2.gz HUHTWKORGZYOIZ-DLBZAZTESA-N 1 0 378.501 3.409 50 0 GGAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)N1CCC2(CCCO2)CC1 ZINC000426566795 231241253 /nfs/dbraw/zinc/24/12/53/231241253.db2.gz CGCCTIKJLOQSEJ-LJQANCHMSA-N 1 0 375.488 3.317 50 0 GGAARO Nc1nccc(-c2ccc(C(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2)n1 ZINC000426575053 231242843 /nfs/dbraw/zinc/24/28/43/231242843.db2.gz QKCUZTBWAQTGLG-UHFFFAOYSA-N 1 0 379.508 3.085 50 0 GGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000426575194 231243184 /nfs/dbraw/zinc/24/31/84/231243184.db2.gz ZHHVCZFEWQQIAL-UHFFFAOYSA-N 1 0 377.492 3.336 50 0 GGAARO Cc1cccnc1-c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000426444387 231223142 /nfs/dbraw/zinc/22/31/42/231223142.db2.gz CKLALAQBWFHFFE-LJQANCHMSA-N 1 0 379.504 3.241 50 0 GGAARO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc2sc(N)nc21 ZINC000426465547 231223369 /nfs/dbraw/zinc/22/33/69/231223369.db2.gz ZYADOBBLDJBOAT-OAQYLSRUSA-N 1 0 384.549 3.355 50 0 GGAARO Nc1ncc(-c2ccc(C(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2)cn1 ZINC000426470532 231223561 /nfs/dbraw/zinc/22/35/61/231223561.db2.gz FHMKHQPISNEOCT-UHFFFAOYSA-N 1 0 379.508 3.085 50 0 GGAARO CSc1cccc(CNC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000426647901 231248997 /nfs/dbraw/zinc/24/89/97/231248997.db2.gz JGKOJCYKUKGIDM-SFHVURJKSA-N 1 0 377.554 3.195 50 0 GGAARO COc1ccc([C@H](NC(=O)N(C)CCC[NH+]2CCCC2)c2ccncc2)cc1 ZINC000426662221 231250978 /nfs/dbraw/zinc/25/09/78/231250978.db2.gz MZRYEYHYZRKKJV-NRFANRHFSA-N 1 0 382.508 3.307 50 0 GGAARO COc1ccc([C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)c2ccncc2)cc1 ZINC000426662227 231251092 /nfs/dbraw/zinc/25/10/92/231251092.db2.gz MZRYEYHYZRKKJV-OAQYLSRUSA-N 1 0 382.508 3.307 50 0 GGAARO O=C(NCc1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000426691190 231252545 /nfs/dbraw/zinc/25/25/45/231252545.db2.gz MRTFOGHQLICWFJ-UHFFFAOYSA-N 1 0 387.471 3.428 50 0 GGAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000426739711 231256420 /nfs/dbraw/zinc/25/64/20/231256420.db2.gz JHBFVBJWYWRJOE-HXUWFJFHSA-N 1 0 390.535 3.339 50 0 GGAARO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2ccncc2F)cc1 ZINC000426738955 231257096 /nfs/dbraw/zinc/25/70/96/231257096.db2.gz ABCITPSNSUMVTD-IBGZPJMESA-N 1 0 383.467 3.261 50 0 GGAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)c1ccc(-c2c(O)ccc3ccccc32)cc1 ZINC000426740322 231257292 /nfs/dbraw/zinc/25/72/92/231257292.db2.gz CKXKBSXPDGZGAR-HSZRJFAPSA-N 1 0 376.456 3.057 50 0 GGAARO COc1cc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)c2cc1OC ZINC000504533390 231325168 /nfs/dbraw/zinc/32/51/68/231325168.db2.gz QOJNPOIRHXXSKM-RDJZCZTQSA-N 1 0 385.508 3.190 50 0 GGAARO CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)cc1 ZINC000091746926 529595366 /nfs/dbraw/zinc/59/53/66/529595366.db2.gz LKIBVUWIEKWZQN-UHFFFAOYSA-N 1 0 385.552 3.046 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[C@H]([NH+](C)C)C4)csc3C2)nc1 ZINC000426370404 529643449 /nfs/dbraw/zinc/64/34/49/529643449.db2.gz YTLFDPGAWPSWET-SFHVURJKSA-N 1 0 398.576 3.040 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@H]([NH3+])CC4)csc3C2)nc1 ZINC000426378010 529643570 /nfs/dbraw/zinc/64/35/70/529643570.db2.gz OVODHTWQJZNAIQ-KRWDZBQOSA-N 1 0 398.576 3.217 50 0 GGAARO C[N@@H+]1CC[C@@](C)(CNC(=O)c2ccc(-c3ccc4c(c3)OCCC4=O)cc2)C1 ZINC000426419993 529800023 /nfs/dbraw/zinc/80/00/23/529800023.db2.gz DZMKIDWZBKYNMM-QHCPKHFHSA-N 1 0 378.472 3.390 50 0 GGAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000299767605 222785960 /nfs/dbraw/zinc/78/59/60/222785960.db2.gz HZIPTHZXYROKFW-JOCHJYFZSA-N 1 0 398.478 3.097 50 0 GGAARO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(C)C)C2)c1 ZINC000299785274 222789941 /nfs/dbraw/zinc/78/99/41/222789941.db2.gz ZHMGEDOSQDRPMO-GGAORHGYSA-N 1 0 397.538 3.434 50 0 GGAARO Cn1cc(C2=C(c3cn(CCC[NH3+])c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000002011710 212262351 /nfs/dbraw/zinc/26/23/51/212262351.db2.gz UQHKJRCFSLMWIA-UHFFFAOYSA-N 1 0 398.466 3.049 50 0 in-vivo GGAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)no1 ZINC000010333929 212249301 /nfs/dbraw/zinc/24/93/01/212249301.db2.gz NOKVNBXZTPFLKZ-IBGZPJMESA-N 1 0 392.459 3.028 50 0 GGAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)NC1CCCC1 ZINC000010333872 212248717 /nfs/dbraw/zinc/24/87/17/212248717.db2.gz TZWRTBSDFXIJGN-OAQYLSRUSA-N 1 0 379.504 3.152 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cccc2ccccc21 ZINC000010333661 212248181 /nfs/dbraw/zinc/24/81/81/212248181.db2.gz WGNGBWKLRVOIJL-HXUWFJFHSA-N 1 0 397.425 3.476 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cccc2ccccc21 ZINC000010333656 212248051 /nfs/dbraw/zinc/24/80/51/212248051.db2.gz WGNGBWKLRVOIJL-FQEVSTJZSA-N 1 0 397.425 3.476 50 0 GGAARO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+](CCc4ccccc4)CC3)c12 ZINC000001467977 212247771 /nfs/dbraw/zinc/24/77/71/212247771.db2.gz ORADJBAIYQJRFU-UHFFFAOYSA-N 1 0 384.487 3.180 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(F)c1)c1cccc2ccccc21 ZINC000010333639 212247488 /nfs/dbraw/zinc/24/74/88/212247488.db2.gz NALYCQQFAJANAL-FQEVSTJZSA-N 1 0 379.435 3.337 50 0 GGAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000001423342 212243100 /nfs/dbraw/zinc/24/31/00/212243100.db2.gz DDSMXWPMRPIZSL-KXBFYZLASA-N 1 0 396.487 3.432 50 0 GGAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2ccc(F)c(F)c2)cc1OC ZINC000001175639 212225898 /nfs/dbraw/zinc/22/58/98/212225898.db2.gz TWIYYWHIOZMGTB-UHFFFAOYSA-N 1 0 378.419 3.485 50 0 GGAARO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1 ZINC000001125717 212220333 /nfs/dbraw/zinc/22/03/33/212220333.db2.gz LEQDQZLWZKNJSE-FQEVSTJZSA-N 1 0 388.471 3.070 50 0 GGAARO CCOC(=O)c1ccc(NC(=S)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000001119604 212218905 /nfs/dbraw/zinc/21/89/05/212218905.db2.gz GLLSSHOXFBJEBA-UHFFFAOYSA-N 1 0 383.517 3.208 50 0 GGAARO O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000001071498 212213580 /nfs/dbraw/zinc/21/35/80/212213580.db2.gz CKIWXLCALMDKEA-OAHLLOKOSA-N 1 0 397.429 3.254 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000001017628 212205665 /nfs/dbraw/zinc/20/56/65/212205665.db2.gz CWLFZNJWZKXXNH-RDJZCZTQSA-N 1 0 388.508 3.278 50 0 GGAARO O=C1[C@@H]2[C@@H](C(=O)N1CC[NH+]1CCCCC1)C1c3ccccc3C2c2ccccc21 ZINC000000988074 212202531 /nfs/dbraw/zinc/20/25/31/212202531.db2.gz SYTOQWJOLCMWER-BBITVKMKSA-N 1 0 386.495 3.365 50 0 GGAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000864208 212192051 /nfs/dbraw/zinc/19/20/51/212192051.db2.gz OEMLVUDTSTVKTP-HXUWFJFHSA-N 1 0 388.533 3.037 50 0 aggregator GGAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000864210 212191178 /nfs/dbraw/zinc/19/11/78/212191178.db2.gz OEMLVUDTSTVKTP-FQEVSTJZSA-N 1 0 388.533 3.037 50 0 aggregator GGAARO O=C(c1cccc(F)c1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000860315 212189739 /nfs/dbraw/zinc/18/97/39/212189739.db2.gz KVMKKNSIEFDLIV-UHFFFAOYSA-N 1 0 381.495 3.248 50 0 GGAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(CC)cc3)CC2)CC1 ZINC000000795510 212182075 /nfs/dbraw/zinc/18/20/75/212182075.db2.gz WQZDKAYQCQBKIK-UHFFFAOYSA-N 1 0 386.536 3.263 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccnc1)N(CCC[NH+](C)C)C3=O ZINC000009328308 212180974 /nfs/dbraw/zinc/18/09/74/212180974.db2.gz SVKSVTMBLRAQAU-HXUWFJFHSA-N 1 0 391.471 3.302 50 0 GGAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC)cc2F)cc1 ZINC000000622827 212165967 /nfs/dbraw/zinc/16/59/67/212165967.db2.gz BRYNPUZCYVHMOL-QFIPXVFZSA-N 1 0 385.459 3.493 50 0 GGAARO COc1ccc(-c2coc3cc(OCCN4CC[NH+](C)CC4)ccc3c2=O)cc1 ZINC000020589423 212150675 /nfs/dbraw/zinc/15/06/75/212150675.db2.gz YOINDACSCHYKEX-UHFFFAOYSA-N 1 0 394.471 3.095 50 0 biogenic GGAARO COc1ccc(OC)c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000019943008 212149307 /nfs/dbraw/zinc/14/93/07/212149307.db2.gz PBOWCKIYHDYGKX-MRXNPFEDSA-N 1 0 399.443 3.243 50 0 biogenic GGAARO NC(=O)C1CC[NH+](CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000006764250 212148161 /nfs/dbraw/zinc/14/81/61/212148161.db2.gz AWZPLBKHQZRWSL-UHFFFAOYSA-N 1 0 392.455 3.036 50 0 biogenic GGAARO COc1ccc(-c2cc3n(n2)[C@@H]([NH2+]CCc2ccc(Cl)cc2)CNC3=O)cc1 ZINC000263619673 212143354 /nfs/dbraw/zinc/14/33/54/212143354.db2.gz ZYQPRXCDMYPCRC-HXUWFJFHSA-N 1 0 396.878 3.286 50 0 GGAARO COCCn1ccc2c1cccc2OCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000263587262 212139301 /nfs/dbraw/zinc/13/93/01/212139301.db2.gz DYHPJHNTYPYCLJ-UHFFFAOYSA-N 1 0 387.524 3.092 50 0 GGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(-c2ccccc2Cl)nn1 ZINC000058660695 212133344 /nfs/dbraw/zinc/13/33/44/212133344.db2.gz LZDJCVWMOCDSIG-UHFFFAOYSA-N 1 0 395.894 3.315 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccc4nccnc34)C[C@H]2CCO)cc1 ZINC000036385730 212118338 /nfs/dbraw/zinc/11/83/38/212118338.db2.gz ZZTDUBUSCKVVBK-OAQYLSRUSA-N 1 0 376.504 3.007 50 0 GGAARO COc1ccc(-c2ncc(CN3CC[N@H+](CCC(C)C)[C@H](CCO)C3)cn2)cc1 ZINC000036385835 212118356 /nfs/dbraw/zinc/11/83/56/212118356.db2.gz PLVNDMPFJJOHIU-OAQYLSRUSA-N 1 0 398.551 3.067 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)cc1 ZINC000036385826 212119346 /nfs/dbraw/zinc/11/93/46/212119346.db2.gz SPVFETZQFJTFAQ-XMMPIXPASA-N 1 0 390.531 3.250 50 0 GGAARO Cc1cc(C)n(CC(C)C)c(=O)c1C(=O)N(C)C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000334161048 212107524 /nfs/dbraw/zinc/10/75/24/212107524.db2.gz RRPSXJLTWPAJPX-UXHICEINSA-N 1 0 387.568 3.458 50 0 GGAARO Cc1cc(C)n(CC(C)C)c(=O)c1C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000334161049 212107495 /nfs/dbraw/zinc/10/74/95/212107495.db2.gz RRPSXJLTWPAJPX-VQTJNVASSA-N 1 0 387.568 3.458 50 0 GGAARO COc1ccc(OC)c(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)c1 ZINC000334160639 212107106 /nfs/dbraw/zinc/10/71/06/212107106.db2.gz JEDHFMAFNADSEX-QRWLVFNGSA-N 1 0 398.507 3.088 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc3c(cccc3NC(C)=O)n2)C[C@@H]1CCO ZINC000023373489 212106912 /nfs/dbraw/zinc/10/69/12/212106912.db2.gz PNARANNZZSVICB-FQEVSTJZSA-N 1 0 396.535 3.028 50 0 GGAARO COc1cc2c(cc1CN1CC[NH+](Cc3cccc(C)c3)CC1)OCCCO2 ZINC000072144978 533155696 /nfs/dbraw/zinc/15/56/96/533155696.db2.gz WVRYFFIEWFUEKU-UHFFFAOYSA-N 1 0 382.504 3.483 50 0 GGAARO O[C@H](C[NH2+]CCNc1ccc(C(F)(F)F)cn1)Cn1ccc2ccccc21 ZINC000004299477 220701844 /nfs/dbraw/zinc/70/18/44/220701844.db2.gz GXXCOUPBMNPJNI-MRXNPFEDSA-N 1 0 378.398 3.118 50 0 GGAARO COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337864 220708089 /nfs/dbraw/zinc/70/80/89/220708089.db2.gz IVWFVBZOSOQPFC-LJQANCHMSA-N 1 0 396.418 3.048 50 0 GGAARO CCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000004680703 220746904 /nfs/dbraw/zinc/74/69/04/220746904.db2.gz NZRQKYNIDSYUBT-OAQYLSRUSA-N 1 0 396.487 3.338 50 0 GGAARO COc1ccc(-c2ccccc2)cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000096132667 533182892 /nfs/dbraw/zinc/18/28/92/533182892.db2.gz PXADTKBEEWHCFM-LJQANCHMSA-N 1 0 383.492 3.331 50 0 GGAARO COc1ccc(C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1OC ZINC000005061369 220822997 /nfs/dbraw/zinc/82/29/97/220822997.db2.gz FOKPUECTYYWLHL-UHFFFAOYSA-N 1 0 384.520 3.286 50 0 GGAARO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1CCCCC1 ZINC000007786509 221012715 /nfs/dbraw/zinc/01/27/15/221012715.db2.gz HDRKOHIOTDWBOH-UHFFFAOYSA-N 1 0 381.402 3.489 50 0 GGAARO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815833 221059700 /nfs/dbraw/zinc/05/97/00/221059700.db2.gz UISKASFIXQBFMN-MRUHUIDDSA-N 1 0 399.535 3.452 50 0 GGAARO O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893604 221062407 /nfs/dbraw/zinc/06/24/07/221062407.db2.gz QIQHGLHZKOPEAD-FQEVSTJZSA-N 1 0 399.560 3.140 50 0 GGAARO COc1cc2c(cc1NC(=O)C(=O)NCC[NH+]1CCCCC1)oc1ccccc12 ZINC000009306701 221076625 /nfs/dbraw/zinc/07/66/25/221076625.db2.gz JHHQOMPLDHVQMW-UHFFFAOYSA-N 1 0 395.459 3.135 50 0 GGAARO Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=[NH+][C@@H]2c1ccccc1 ZINC000009287558 221076931 /nfs/dbraw/zinc/07/69/31/221076931.db2.gz KPVOPUQKLBGKGJ-NRFANRHFSA-N 1 0 398.470 3.194 50 0 GGAARO Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=[NH+][C@H]2c1ccccc1 ZINC000009287560 221077048 /nfs/dbraw/zinc/07/70/48/221077048.db2.gz KPVOPUQKLBGKGJ-OAQYLSRUSA-N 1 0 398.470 3.194 50 0 GGAARO COc1cn(CC(=O)Nc2cc(C)ccc2C)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622036 221087120 /nfs/dbraw/zinc/08/71/20/221087120.db2.gz HIWGFHRPFSZMGE-UHFFFAOYSA-N 1 0 397.519 3.488 50 0 GGAARO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333430 221101499 /nfs/dbraw/zinc/10/14/99/221101499.db2.gz WNMRXJJPXPTIMD-UHFFFAOYSA-N 1 0 395.503 3.301 50 0 GGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000009620283 221088006 /nfs/dbraw/zinc/08/80/06/221088006.db2.gz WYDAZOOGYFOVMH-UHFFFAOYSA-N 1 0 381.524 3.477 50 0 GGAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]C)cc21 ZINC000009970640 221095768 /nfs/dbraw/zinc/09/57/68/221095768.db2.gz HUAZUAJOIPJOIX-GOSISDBHSA-N 1 0 396.487 3.383 50 0 GGAARO COc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cccc(O)c3)C[C@@H]21 ZINC000010214557 221098106 /nfs/dbraw/zinc/09/81/06/221098106.db2.gz WZOPUOAQPQAWBO-IBGZPJMESA-N 1 0 379.460 3.366 50 0 GGAARO OCCOc1cccc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)c1 ZINC000011768308 221124437 /nfs/dbraw/zinc/12/44/37/221124437.db2.gz WYBFQHMXBJIYNP-UHFFFAOYSA-N 1 0 385.504 3.101 50 0 GGAARO COc1ccc2nc(N3CCC([NH2+][C@H]4CCOC(C)(C)C4)CC3)nc(C)c2c1 ZINC000011786398 221124828 /nfs/dbraw/zinc/12/48/28/221124828.db2.gz HENCVMFYMKXYHN-KRWDZBQOSA-N 1 0 384.524 3.463 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](C/C=C/c2ccc(O)c(OC)c2)C1 ZINC000011773695 221125055 /nfs/dbraw/zinc/12/50/55/221125055.db2.gz KANRLDTZUXXYFL-XYASWCNUSA-N 1 0 377.481 3.096 50 0 GGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cn3ccsc3n2)c1 ZINC000011784474 221125123 /nfs/dbraw/zinc/12/51/23/221125123.db2.gz KFCHWQJQHAXJBF-QGZVFWFLSA-N 1 0 384.505 3.075 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)nn1 ZINC000011788941 221125961 /nfs/dbraw/zinc/12/59/61/221125961.db2.gz XONDRKGMHCLBCI-SFHVURJKSA-N 1 0 380.496 3.079 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2cccnc2)C1 ZINC000011817203 221127141 /nfs/dbraw/zinc/12/71/41/221127141.db2.gz HPQSASWRFDYCHQ-NRFANRHFSA-N 1 0 395.547 3.436 50 0 GGAARO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000011815828 221127206 /nfs/dbraw/zinc/12/72/06/221127206.db2.gz GTLOVACNAMFUAB-UHFFFAOYSA-N 1 0 392.425 3.059 50 0 GGAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000011818389 221127414 /nfs/dbraw/zinc/12/74/14/221127414.db2.gz YPADRJFSNMCENW-UHFFFAOYSA-N 1 0 392.883 3.353 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1 ZINC000011817289 221127755 /nfs/dbraw/zinc/12/77/55/221127755.db2.gz RSFQORPWIGOKSG-SFHVURJKSA-N 1 0 388.533 3.194 50 0 GGAARO COC[C@H]1CC[N@H+](Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)C1 ZINC000011817902 221128327 /nfs/dbraw/zinc/12/83/27/221128327.db2.gz UPJBVNNNEFNWHY-SFHVURJKSA-N 1 0 384.524 3.127 50 0 GGAARO COC[C@@H]1CC[N@H+](Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)C1 ZINC000011817901 221128419 /nfs/dbraw/zinc/12/84/19/221128419.db2.gz UPJBVNNNEFNWHY-GOSISDBHSA-N 1 0 384.524 3.127 50 0 GGAARO CN(C(=O)Cc1cn2ccsc2n1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011819556 221128695 /nfs/dbraw/zinc/12/86/95/221128695.db2.gz MJIXFODSTLSATL-LJQANCHMSA-N 1 0 382.533 3.104 50 0 GGAARO O=C(CCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)NCc1cccnc1 ZINC000011819114 221129128 /nfs/dbraw/zinc/12/91/28/221129128.db2.gz XQFLPWMKUNPWAQ-UHFFFAOYSA-N 1 0 377.492 3.267 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1cccnc1 ZINC000011820826 221129602 /nfs/dbraw/zinc/12/96/02/221129602.db2.gz ODRXSVQOXDEEIN-QFIPXVFZSA-N 1 0 395.547 3.436 50 0 GGAARO CC(=O)Nc1ccc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)cc1 ZINC000011821598 221129756 /nfs/dbraw/zinc/12/97/56/221129756.db2.gz ZUBLJFZYCXTLCW-UHFFFAOYSA-N 1 0 394.519 3.349 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1ccnc1C ZINC000011819293 221129792 /nfs/dbraw/zinc/12/97/92/221129792.db2.gz TVMPRZBNEKVOCN-OAQYLSRUSA-N 1 0 398.551 3.003 50 0 GGAARO O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000011819147 221129964 /nfs/dbraw/zinc/12/99/64/221129964.db2.gz BRQPNHWHAQBEOK-UHFFFAOYSA-N 1 0 386.471 3.218 50 0 GGAARO COc1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1OC ZINC000011846351 221131777 /nfs/dbraw/zinc/13/17/77/221131777.db2.gz XXYJMELFELRNFE-IBGZPJMESA-N 1 0 385.508 3.389 50 0 GGAARO O=C1NCCN1c1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011841319 221132328 /nfs/dbraw/zinc/13/23/28/221132328.db2.gz PLUBISHRCDVMLR-HSZRJFAPSA-N 1 0 397.494 3.173 50 0 GGAARO Cc1ncsc1CCC(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011842796 221132338 /nfs/dbraw/zinc/13/23/38/221132338.db2.gz UFQMWXHOPMIWJH-LJQANCHMSA-N 1 0 383.561 3.474 50 0 GGAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000011844504 221132572 /nfs/dbraw/zinc/13/25/72/221132572.db2.gz MOBLMIUWSGFGNN-JOCHJYFZSA-N 1 0 385.508 3.300 50 0 GGAARO COc1cccc(C(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1OC ZINC000011873614 221133138 /nfs/dbraw/zinc/13/31/38/221133138.db2.gz HFCWHZTVULKFRQ-SFHVURJKSA-N 1 0 380.488 3.065 50 0 GGAARO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)NC(c1ccccc1)c1ccccc1 ZINC000011873886 221133703 /nfs/dbraw/zinc/13/37/03/221133703.db2.gz WOEYXWIFUKFBPH-NRFANRHFSA-N 1 0 391.515 3.025 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000011873332 221133807 /nfs/dbraw/zinc/13/38/07/221133807.db2.gz WIXVHEZGXAAPRM-GOSISDBHSA-N 1 0 381.520 3.388 50 0 GGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(COc3cccc4cccnc43)on2)C1 ZINC000011874892 221134750 /nfs/dbraw/zinc/13/47/50/221134750.db2.gz RRIDVUNWBKAGJF-KRWDZBQOSA-N 1 0 394.475 3.358 50 0 GGAARO CC(C)CC[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000011880376 221135108 /nfs/dbraw/zinc/13/51/08/221135108.db2.gz CTWCSEOUSGJPGW-KRWDZBQOSA-N 1 0 387.528 3.293 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000011667877 221119868 /nfs/dbraw/zinc/11/98/68/221119868.db2.gz KDDOLAYWUDPEAL-KRWDZBQOSA-N 1 0 393.940 3.063 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000011667876 221119922 /nfs/dbraw/zinc/11/99/22/221119922.db2.gz KDDOLAYWUDPEAL-QGZVFWFLSA-N 1 0 393.940 3.063 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(C/C(Cl)=C/c2ccccc2)C[C@H]1O ZINC000011668037 221120373 /nfs/dbraw/zinc/12/03/73/221120373.db2.gz JIICHXFQKOAHCC-ZAKLKUDGSA-N 1 0 385.939 3.271 50 0 GGAARO CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000011663842 221120710 /nfs/dbraw/zinc/12/07/10/221120710.db2.gz HMIRDTBJMIVSQO-QHCPKHFHSA-N 1 0 380.536 3.350 50 0 GGAARO CC[NH+](CC)CCN(C(=O)c1ccnn1C)c1nc2c(cc(F)cc2F)s1 ZINC000011695048 221121676 /nfs/dbraw/zinc/12/16/76/221121676.db2.gz HEYTVTRSPGPFRO-UHFFFAOYSA-N 1 0 393.463 3.297 50 0 GGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc(F)cc1Cl ZINC000011697810 221122414 /nfs/dbraw/zinc/12/24/14/221122414.db2.gz COZVKZLTJSQTNZ-UHFFFAOYSA-N 1 0 386.818 3.250 50 0 GGAARO CCc1ccc(NC(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc1 ZINC000011697824 221123388 /nfs/dbraw/zinc/12/33/88/221123388.db2.gz WRVSLSHGWZTUTA-UHFFFAOYSA-N 1 0 377.452 3.411 50 0 GGAARO CN(C(=O)c1cc(-c2cccn2C)n[nH]1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011933700 221137758 /nfs/dbraw/zinc/13/77/58/221137758.db2.gz HDHNMLHQALDHIT-LJQANCHMSA-N 1 0 391.519 3.194 50 0 GGAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000011935014 221138917 /nfs/dbraw/zinc/13/89/17/221138917.db2.gz QMIVORYJRPHTRD-GOSISDBHSA-N 1 0 375.476 3.426 50 0 GGAARO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(C)n1 ZINC000011934548 221139386 /nfs/dbraw/zinc/13/93/86/221139386.db2.gz RFYGFIWPBDUDML-FQEVSTJZSA-N 1 0 388.556 3.004 50 0 GGAARO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)nn1C ZINC000011937292 221139468 /nfs/dbraw/zinc/13/94/68/221139468.db2.gz VNLDAJJDRMNTLD-UHFFFAOYSA-N 1 0 395.551 3.421 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000011935004 221139485 /nfs/dbraw/zinc/13/94/85/221139485.db2.gz QXIOVZZAHACGTO-HXUWFJFHSA-N 1 0 389.503 3.046 50 0 GGAARO Cc1ccc(C)c(-n2cc(C[NH2+]CCN3CCNC3=O)c(-c3ccccc3)n2)c1 ZINC000011955748 221140466 /nfs/dbraw/zinc/14/04/66/221140466.db2.gz WDUVRRROWMQNFK-UHFFFAOYSA-N 1 0 389.503 3.271 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cc3ccccc3o2)CC1)[C@H]1CCOC1 ZINC000011953760 221140606 /nfs/dbraw/zinc/14/06/06/221140606.db2.gz ZKOWLQUBODJYIA-KRWDZBQOSA-N 1 0 394.475 3.441 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCn2ccc(C)n2)C1 ZINC000011955664 221140843 /nfs/dbraw/zinc/14/08/43/221140843.db2.gz FTLBGKXPBPOVHQ-FQEVSTJZSA-N 1 0 398.551 3.003 50 0 GGAARO Cc1c(C(=O)NCc2ccco2)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000011997372 221141569 /nfs/dbraw/zinc/14/15/69/221141569.db2.gz HBPKUBSUJQSJKM-UHFFFAOYSA-N 1 0 399.520 3.421 50 0 GGAARO CC(C)(C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012003344 221141625 /nfs/dbraw/zinc/14/16/25/221141625.db2.gz HDCGKEFHIMFPJB-FQEVSTJZSA-N 1 0 399.579 3.442 50 0 GGAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)c1 ZINC000011999247 221142001 /nfs/dbraw/zinc/14/20/01/221142001.db2.gz VOSDFSYZYZATBZ-HNNXBMFYSA-N 1 0 389.521 3.111 50 0 GGAARO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)c1OC ZINC000012001879 221142459 /nfs/dbraw/zinc/14/24/59/221142459.db2.gz ONKVGONZQODBKY-HNNXBMFYSA-N 1 0 389.521 3.111 50 0 GGAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCc1cc(F)ccc1C)C2 ZINC000012024843 221143441 /nfs/dbraw/zinc/14/34/41/221143441.db2.gz IJDLGUVRAJBYPY-MRXNPFEDSA-N 1 0 386.467 3.432 50 0 GGAARO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012027030 221144100 /nfs/dbraw/zinc/14/41/00/221144100.db2.gz BPTGDSGZWWSPJF-IBGZPJMESA-N 1 0 389.584 3.329 50 0 GGAARO C[C@@]1(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)NC(=O)NC1=O ZINC000012051049 221144316 /nfs/dbraw/zinc/14/43/16/221144316.db2.gz MBIKGUYMFIBXGO-QHCPKHFHSA-N 1 0 393.487 3.076 50 0 GGAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+](C(C)C)[C@@H](CC)C3)nc2)on1 ZINC000012049776 221144623 /nfs/dbraw/zinc/14/46/23/221144623.db2.gz VVQKBNWKVJMFNK-IBGZPJMESA-N 1 0 399.539 3.261 50 0 GGAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000012039077 221144825 /nfs/dbraw/zinc/14/48/25/221144825.db2.gz WPCIZIIQGALCKO-QGZVFWFLSA-N 1 0 390.487 3.411 50 0 GGAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC[C@H](CNC(=O)[C@H]3CCCO3)O2)CC1 ZINC000012042134 221144938 /nfs/dbraw/zinc/14/49/38/221144938.db2.gz MVRCQGFRGPLNBT-HWQZLAKTSA-N 1 0 398.547 3.399 50 0 GGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2c(OC)cccc2OC)c1 ZINC000012035058 221145246 /nfs/dbraw/zinc/14/52/46/221145246.db2.gz XPOKISBPQKDBKI-GOSISDBHSA-N 1 0 398.503 3.383 50 0 GGAARO Cc1ccc(C)c(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 ZINC000012041540 221145326 /nfs/dbraw/zinc/14/53/26/221145326.db2.gz QNFBTYFSNKNEID-NHCUHLMSSA-N 1 0 386.536 3.112 50 0 GGAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC[C@@H](CNC(=O)[C@@H]3CCCO3)O2)CC1 ZINC000012042124 221145590 /nfs/dbraw/zinc/14/55/90/221145590.db2.gz MVRCQGFRGPLNBT-MRTXAKHJSA-N 1 0 398.547 3.399 50 0 GGAARO CC[NH+](CC)CCNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C ZINC000012040699 221145616 /nfs/dbraw/zinc/14/56/16/221145616.db2.gz ORZOYBWKXYBWON-UHFFFAOYSA-N 1 0 387.509 3.276 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000012072975 221147202 /nfs/dbraw/zinc/14/72/02/221147202.db2.gz YXNXEABJFOGEPW-UHFFFAOYSA-N 1 0 390.487 3.245 50 0 GGAARO Cc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1nccc(-c2cccs2)n1 ZINC000012077968 221147914 /nfs/dbraw/zinc/14/79/14/221147914.db2.gz MBSKHCCMAGMXHT-UHFFFAOYSA-N 1 0 398.536 3.017 50 0 GGAARO CCCC[C@H]1C[N@H+](CCC(=O)NCCCn2cccn2)Cc2ccccc2O1 ZINC000012126381 221156360 /nfs/dbraw/zinc/15/63/60/221156360.db2.gz WQRJMGYHYDHKSP-FQEVSTJZSA-N 1 0 384.524 3.233 50 0 GGAARO C[C@]1(C2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)NC(=O)NC1=O ZINC000012135543 221157727 /nfs/dbraw/zinc/15/77/27/221157727.db2.gz MTWMWPGNRQFNBG-HSZRJFAPSA-N 1 0 375.472 3.068 50 0 GGAARO O=C(NC1CC1)c1cn(CC[C@H]2CCCC[N@@H+]2C/C=C/c2ccccc2)nn1 ZINC000012148752 221160403 /nfs/dbraw/zinc/16/04/03/221160403.db2.gz ZIODJKOKADZCHN-AQDCRGGLSA-N 1 0 379.508 3.128 50 0 GGAARO COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1 ZINC000012296646 221175592 /nfs/dbraw/zinc/17/55/92/221175592.db2.gz HUVRKZCEPVFQRB-OXJNMPFZSA-N 1 0 398.503 3.033 50 0 biogenic GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCc1cn[nH]c1 ZINC000012298987 221176297 /nfs/dbraw/zinc/17/62/97/221176297.db2.gz KJJLJQFOHJHYDT-OAQYLSRUSA-N 1 0 398.551 3.154 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012305502 221176956 /nfs/dbraw/zinc/17/69/56/221176956.db2.gz SLIWKCDBIXQTQH-GOSISDBHSA-N 1 0 391.475 3.458 50 0 GGAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012303273 221177026 /nfs/dbraw/zinc/17/70/26/221177026.db2.gz PULPJOVQDKGOEM-QGZVFWFLSA-N 1 0 387.451 3.300 50 0 GGAARO CC(C)/C=C/CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012303083 221177522 /nfs/dbraw/zinc/17/75/22/221177522.db2.gz QSOGISHIZIDIFE-LWQICCLCSA-N 1 0 384.568 3.086 50 0 GGAARO COc1ncccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012301042 221178582 /nfs/dbraw/zinc/17/85/82/221178582.db2.gz CVQKGNSDRQFVNZ-IBGZPJMESA-N 1 0 381.520 3.425 50 0 GGAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cccnc4)CC3)on2)c1 ZINC000012308309 221178926 /nfs/dbraw/zinc/17/89/26/221178926.db2.gz UUPBYEYRGFTQDA-UHFFFAOYSA-N 1 0 379.460 3.315 50 0 GGAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]C1CCN(Cc3ccccn3)CC1)CCC2 ZINC000012307103 221178931 /nfs/dbraw/zinc/17/89/31/221178931.db2.gz APNQLJRWKBRNGY-NRFANRHFSA-N 1 0 388.519 3.294 50 0 GGAARO CC(=O)NCC[NH2+]Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012314370 221179009 /nfs/dbraw/zinc/17/90/09/221179009.db2.gz SJVKZBUVWIJXHC-UHFFFAOYSA-N 1 0 384.430 3.352 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4n[nH]c5c4CCC5)C3)C2)c1 ZINC000012307315 221179265 /nfs/dbraw/zinc/17/92/65/221179265.db2.gz DPBYMTNSAYHONY-QHCPKHFHSA-N 1 0 394.519 3.035 50 0 GGAARO COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(Cc3cccnc3)C(=O)[C@]23CCC[N@H+]13 ZINC000012307677 221179636 /nfs/dbraw/zinc/17/96/36/221179636.db2.gz SUKUVQVOJGBSOL-MOAFTDFKSA-N 1 0 389.499 3.369 50 0 GGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCCC[C@@H]4C)CC3)CC2)n1 ZINC000012307411 221179697 /nfs/dbraw/zinc/17/96/97/221179697.db2.gz FDHHWDMYNQUOAA-FQEVSTJZSA-N 1 0 398.595 3.467 50 0 GGAARO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)[nH]n1 ZINC000012306233 221179976 /nfs/dbraw/zinc/17/99/76/221179976.db2.gz GPNFLUWJTJTQQI-HSZRJFAPSA-N 1 0 394.519 3.173 50 0 GGAARO CCn1c(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)nc2ccccc21 ZINC000012306994 221180050 /nfs/dbraw/zinc/18/00/50/221180050.db2.gz IXNJTZBZPJXDFG-IBGZPJMESA-N 1 0 398.551 3.344 50 0 GGAARO O=C(CCC1CC[NH+]([C@H]2CCSC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012308639 221180210 /nfs/dbraw/zinc/18/02/10/221180210.db2.gz LFXJMMAEIZOLDS-NRFANRHFSA-N 1 0 387.593 3.333 50 0 GGAARO CCn1c(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)nc2ccccc21 ZINC000012306996 221180310 /nfs/dbraw/zinc/18/03/10/221180310.db2.gz IXNJTZBZPJXDFG-LJQANCHMSA-N 1 0 398.551 3.344 50 0 GGAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3OCCO)C2)cc1OC ZINC000012320437 221180613 /nfs/dbraw/zinc/18/06/13/221180613.db2.gz QAAQCZFRSCSATK-IBGZPJMESA-N 1 0 386.492 3.151 50 0 GGAARO COC[C@H](C)NC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012315835 221180815 /nfs/dbraw/zinc/18/08/15/221180815.db2.gz SIOYKKCKTXROGF-INIZCTEOSA-N 1 0 390.524 3.246 50 0 GGAARO O=C(CCC1CC[NH+](Cc2cccn2-c2cccnc2)CC1)NC[C@@H]1CCCO1 ZINC000012319756 221180860 /nfs/dbraw/zinc/18/08/60/221180860.db2.gz GMYRCUKNCIZIML-QFIPXVFZSA-N 1 0 396.535 3.160 50 0 GGAARO CCOC(=O)C1(CCOC)CC[NH+](C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000012318930 221180977 /nfs/dbraw/zinc/18/09/77/221180977.db2.gz QKIYXCAFWCJUMO-UHFFFAOYSA-N 1 0 392.515 3.476 50 0 GGAARO O=C(CCC1CC[NH+](Cc2cccn2-c2cccnc2)CC1)NC[C@H]1CCCO1 ZINC000012319757 221181452 /nfs/dbraw/zinc/18/14/52/221181452.db2.gz GMYRCUKNCIZIML-JOCHJYFZSA-N 1 0 396.535 3.160 50 0 GGAARO CCn1cc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012195602 221165319 /nfs/dbraw/zinc/16/53/19/221165319.db2.gz DJSFLVXARHQQTJ-HARLFGEKSA-N 1 0 394.519 3.158 50 0 GGAARO CCn1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012200639 221166701 /nfs/dbraw/zinc/16/67/01/221166701.db2.gz PERHTXYCGJNGRI-LEDOBFOHSA-N 1 0 394.519 3.158 50 0 GGAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000012199670 221166846 /nfs/dbraw/zinc/16/68/46/221166846.db2.gz BKFDMFULIHJPCO-UHFFFAOYSA-N 1 0 382.504 3.471 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000012196123 221166855 /nfs/dbraw/zinc/16/68/55/221166855.db2.gz ZQLXRZFHOGKAFT-HNNXBMFYSA-N 1 0 391.265 3.211 50 0 GGAARO COCCCNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012202846 221166863 /nfs/dbraw/zinc/16/68/63/221166863.db2.gz DEFNUYCQDVOUNK-UHFFFAOYSA-N 1 0 390.524 3.247 50 0 GGAARO Cn1cc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)cn1 ZINC000012208306 221167475 /nfs/dbraw/zinc/16/74/75/221167475.db2.gz LCWNIFDXAVZYSV-UHFFFAOYSA-N 1 0 382.508 3.090 50 0 GGAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c(Cl)c1 ZINC000012209912 221167482 /nfs/dbraw/zinc/16/74/82/221167482.db2.gz FHGKMESMFHOWMJ-OAHLLOKOSA-N 1 0 398.956 3.065 50 0 GGAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H]3CCSC3)CC2)c(Cl)c1 ZINC000012209919 221167555 /nfs/dbraw/zinc/16/75/55/221167555.db2.gz FHGKMESMFHOWMJ-HNNXBMFYSA-N 1 0 398.956 3.065 50 0 GGAARO CCc1ccc(C[NH+]2CCC(Oc3cccc(C(=O)NCCOC)c3)CC2)o1 ZINC000012208043 221167698 /nfs/dbraw/zinc/16/76/98/221167698.db2.gz ZBWGGMJOHHMRKY-UHFFFAOYSA-N 1 0 386.492 3.262 50 0 GGAARO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000012208586 221168395 /nfs/dbraw/zinc/16/83/95/221168395.db2.gz IMXQLWDJFMVOSG-UHFFFAOYSA-N 1 0 381.524 3.410 50 0 GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)nn1C ZINC000012229246 221170203 /nfs/dbraw/zinc/17/02/03/221170203.db2.gz WVEYVUMEMVLYPG-UHFFFAOYSA-N 1 0 375.473 3.076 50 0 GGAARO Cc1nnc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)[nH]1 ZINC000012225274 221170266 /nfs/dbraw/zinc/17/02/66/221170266.db2.gz PZNDTMWYRXGQSJ-QFIPXVFZSA-N 1 0 387.572 3.331 50 0 GGAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)n(C)n1 ZINC000012229350 221170668 /nfs/dbraw/zinc/17/06/68/221170668.db2.gz WSCUOIGWWXDRHJ-UHFFFAOYSA-N 1 0 377.901 3.200 50 0 GGAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)n(C)n1 ZINC000012229376 221170770 /nfs/dbraw/zinc/17/07/70/221170770.db2.gz OTFHKGLOJNAFMN-UHFFFAOYSA-N 1 0 377.901 3.200 50 0 GGAARO CC[NH+](CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2ccc(F)cc2s1 ZINC000012229224 221170910 /nfs/dbraw/zinc/17/09/10/221170910.db2.gz IJSWDYCVGZWHCO-UHFFFAOYSA-N 1 0 389.500 3.466 50 0 GGAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012245563 221173104 /nfs/dbraw/zinc/17/31/04/221173104.db2.gz VREPFKMYUSXGDU-RPDKKYPRSA-N 1 0 385.512 3.213 50 0 GGAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000012279446 221174136 /nfs/dbraw/zinc/17/41/36/221174136.db2.gz IZKJWCBFKFDTHI-QGZVFWFLSA-N 1 0 398.478 3.468 50 0 GGAARO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3coc(COc4ccc(F)cc4)n3)C2)C1 ZINC000012429554 221191019 /nfs/dbraw/zinc/19/10/19/221191019.db2.gz QMEGKZYHYYNHSI-OAQYLSRUSA-N 1 0 387.455 3.341 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCn3cncn3)C2)cc1 ZINC000012430891 221191084 /nfs/dbraw/zinc/19/10/84/221191084.db2.gz RSYWVWZZYUBKHH-NRFANRHFSA-N 1 0 383.540 3.038 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)COc2ccccc2)C1 ZINC000012431053 221191156 /nfs/dbraw/zinc/19/11/56/221191156.db2.gz BBWZRTSTDLXZCF-HXUWFJFHSA-N 1 0 396.531 3.487 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCn3cncn3)C2)cc1 ZINC000012430890 221191192 /nfs/dbraw/zinc/19/11/92/221191192.db2.gz RSYWVWZZYUBKHH-OAQYLSRUSA-N 1 0 383.540 3.038 50 0 GGAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)o1 ZINC000012429769 221191445 /nfs/dbraw/zinc/19/14/45/221191445.db2.gz MTKHQCPGLSXMDW-OAQYLSRUSA-N 1 0 398.532 3.377 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCCC(=O)OC ZINC000012430896 221191782 /nfs/dbraw/zinc/19/17/82/221191782.db2.gz MMFIZSAONRBEEZ-IBGZPJMESA-N 1 0 392.515 3.272 50 0 GGAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000012429938 221191970 /nfs/dbraw/zinc/19/19/70/221191970.db2.gz YDABJGLOBDRACE-HSZRJFAPSA-N 1 0 383.488 3.284 50 0 GGAARO Cc1cccc2nc(C(=O)N(C)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)cn21 ZINC000012434079 221192850 /nfs/dbraw/zinc/19/28/50/221192850.db2.gz LMZWMZRCNDRLSC-HXUWFJFHSA-N 1 0 376.504 3.422 50 0 GGAARO COc1cc(-c2n[nH]cc2C[N@H+](CCO)Cc2ccccc2)cc(OC)c1OC ZINC000012434125 221193042 /nfs/dbraw/zinc/19/30/42/221193042.db2.gz HPYBLYGWJYTSTP-UHFFFAOYSA-N 1 0 397.475 3.097 50 0 GGAARO Cc1ncsc1CCC[NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000012434085 221193076 /nfs/dbraw/zinc/19/30/76/221193076.db2.gz JXWKOXRVGLNPHP-UHFFFAOYSA-N 1 0 389.550 3.119 50 0 GGAARO COc1ccc(/C=C/[C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012435298 221193549 /nfs/dbraw/zinc/19/35/49/221193549.db2.gz JHONUAFSBSJELG-UJPFPMDASA-N 1 0 389.499 3.369 50 0 GGAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012435028 221193899 /nfs/dbraw/zinc/19/38/99/221193899.db2.gz WFIPICBVZPWGTP-UHFFFAOYSA-N 1 0 381.476 3.026 50 0 GGAARO O=C(CCC1CC[NH+](Cc2cccc3c2OCO3)CC1)NCc1cccnc1 ZINC000012432785 221193946 /nfs/dbraw/zinc/19/39/46/221193946.db2.gz FUSXAJDDRIXAMJ-UHFFFAOYSA-N 1 0 381.476 3.119 50 0 GGAARO CC[NH+](CC)CCN(C)C(=O)c1cc(COc2ccc(OC)cc2Cl)on1 ZINC000012439071 221195787 /nfs/dbraw/zinc/19/57/87/221195787.db2.gz NCMQUSRITIVOGZ-UHFFFAOYSA-N 1 0 395.887 3.329 50 0 GGAARO COc1cc(/C=C/[C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)ccc1O ZINC000012439358 221196075 /nfs/dbraw/zinc/19/60/75/221196075.db2.gz BAKMNIUMNVULRT-CJQWHWIXSA-N 1 0 382.504 3.422 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000012448837 221196779 /nfs/dbraw/zinc/19/67/79/221196779.db2.gz CRFKRGYRBDQVOM-CZIOWHBQSA-N 1 0 385.533 3.369 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000012447883 221196849 /nfs/dbraw/zinc/19/68/49/221196849.db2.gz YDRXOGQNTPZBIH-SFHVURJKSA-N 1 0 383.492 3.226 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000012448838 221196989 /nfs/dbraw/zinc/19/69/89/221196989.db2.gz CRFKRGYRBDQVOM-AUFJSOOLSA-N 1 0 385.533 3.369 50 0 GGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccc(O)c4)C3)C2=O)c1 ZINC000012457282 221197832 /nfs/dbraw/zinc/19/78/32/221197832.db2.gz FZNRZFOUDBFPNV-HSZRJFAPSA-N 1 0 380.488 3.416 50 0 GGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc(O)c4)C3)C2=O)c1 ZINC000012457280 221197978 /nfs/dbraw/zinc/19/79/78/221197978.db2.gz FZNRZFOUDBFPNV-QHCPKHFHSA-N 1 0 380.488 3.416 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cccnc2OC)CC1 ZINC000012457693 221198047 /nfs/dbraw/zinc/19/80/47/221198047.db2.gz KNLNMWKZURHYSA-UHFFFAOYSA-N 1 0 397.519 3.126 50 0 GGAARO C[C@@H](CO)NC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012465843 221198114 /nfs/dbraw/zinc/19/81/14/221198114.db2.gz XERPJXASVLOOML-AWEZNQCLSA-N 1 0 380.916 3.236 50 0 GGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc1F ZINC000012464178 221198293 /nfs/dbraw/zinc/19/82/93/221198293.db2.gz YMBIJUCVWDEWEN-SFHVURJKSA-N 1 0 387.451 3.300 50 0 GGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc1F ZINC000012464174 221198451 /nfs/dbraw/zinc/19/84/51/221198451.db2.gz YMBIJUCVWDEWEN-GOSISDBHSA-N 1 0 387.451 3.300 50 0 GGAARO CC(C)(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000012457553 221198477 /nfs/dbraw/zinc/19/84/77/221198477.db2.gz KAOMHXJAISWPGV-MRXNPFEDSA-N 1 0 375.538 3.271 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012469614 221199294 /nfs/dbraw/zinc/19/92/94/221199294.db2.gz SLSHPUCYZYCOPK-KRWDZBQOSA-N 1 0 386.467 3.242 50 0 GGAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000012593509 221210922 /nfs/dbraw/zinc/21/09/22/221210922.db2.gz JACKCUAJJZMUJC-GOSISDBHSA-N 1 0 399.491 3.166 50 0 GGAARO Cc1cc(C)n(CCC(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000012570408 221208399 /nfs/dbraw/zinc/20/83/99/221208399.db2.gz YJFQWPSXEZCIEL-QFIPXVFZSA-N 1 0 382.552 3.446 50 0 GGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2coc(COc3cccc(F)c3F)n2)C1 ZINC000012576636 221208419 /nfs/dbraw/zinc/20/84/19/221208419.db2.gz BEDBSEFWTJQTQY-AWEZNQCLSA-N 1 0 393.434 3.382 50 0 GGAARO Fc1cccc(-c2cnnc(N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000012582853 221209592 /nfs/dbraw/zinc/20/95/92/221209592.db2.gz RDIAMWNNEQDMQU-OAQYLSRUSA-N 1 0 389.478 3.357 50 0 GGAARO CCn1nc(C)cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012581960 221209736 /nfs/dbraw/zinc/20/97/36/221209736.db2.gz TXQSNCUHUTXOBL-QFIPXVFZSA-N 1 0 384.499 3.479 50 0 GGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012577621 221209997 /nfs/dbraw/zinc/20/99/97/221209997.db2.gz ATBHOYQKQNWJJM-OAQYLSRUSA-N 1 0 397.563 3.422 50 0 GGAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012386783 221187368 /nfs/dbraw/zinc/18/73/68/221187368.db2.gz NFZWELVEOIONBF-JOCHJYFZSA-N 1 0 380.467 3.224 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)cc1 ZINC000012387547 221187575 /nfs/dbraw/zinc/18/75/75/221187575.db2.gz MIENLOUKRRFJEJ-DEOSSOPVSA-N 1 0 397.563 3.247 50 0 GGAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012385317 221188099 /nfs/dbraw/zinc/18/80/99/221188099.db2.gz UVAYMARMCQCKBV-LJQANCHMSA-N 1 0 380.488 3.442 50 0 GGAARO CSc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000012587903 221211998 /nfs/dbraw/zinc/21/19/98/221211998.db2.gz ZFFPVENEISACNP-SFHVURJKSA-N 1 0 387.593 3.364 50 0 GGAARO CC(=O)N1CCC([N@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)CC1 ZINC000012594564 221212634 /nfs/dbraw/zinc/21/26/34/221212634.db2.gz XWIPAHUYDXIGHS-IBGZPJMESA-N 1 0 375.532 3.023 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1csnn1 ZINC000012595733 221213090 /nfs/dbraw/zinc/21/30/90/221213090.db2.gz PYQMCDWATFMJPC-HNNXBMFYSA-N 1 0 378.929 3.218 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1ccc(C)n1 ZINC000012593724 221213263 /nfs/dbraw/zinc/21/32/63/221213263.db2.gz AITYUNCQEZMICJ-NRFANRHFSA-N 1 0 398.551 3.003 50 0 GGAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000012612322 221214420 /nfs/dbraw/zinc/21/44/20/221214420.db2.gz PHDKPORDYUZFRC-UHFFFAOYSA-N 1 0 382.443 3.003 50 0 GGAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4cnc(C)s4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012706368 221219201 /nfs/dbraw/zinc/21/92/01/221219201.db2.gz NVDLDRRSDXKOJO-MDKPJZGXSA-N 1 0 383.517 3.398 50 0 GGAARO CC(C)N(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012707087 221219283 /nfs/dbraw/zinc/21/92/83/221219283.db2.gz MACWPRZQNIFMPD-QGZVFWFLSA-N 1 0 384.524 3.375 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc1OC ZINC000012706037 221219539 /nfs/dbraw/zinc/21/95/39/221219539.db2.gz HHCLOVKFQIGCOO-QGZVFWFLSA-N 1 0 386.467 3.485 50 0 GGAARO CC(C)N(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012707090 221219968 /nfs/dbraw/zinc/21/99/68/221219968.db2.gz MACWPRZQNIFMPD-KRWDZBQOSA-N 1 0 384.524 3.375 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cc(C4CC4)nc4ccccc43)C2)CC1 ZINC000012713815 221221228 /nfs/dbraw/zinc/22/12/28/221221228.db2.gz PRYHZMPRUSUPFC-GOSISDBHSA-N 1 0 392.547 3.401 50 0 GGAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)c1cn(C2CCCCC2)nn1 ZINC000012718625 221221326 /nfs/dbraw/zinc/22/13/26/221221326.db2.gz CUJOQZDPGWGANM-UHFFFAOYSA-N 1 0 395.551 3.468 50 0 GGAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000012593505 221211240 /nfs/dbraw/zinc/21/12/40/221211240.db2.gz JACKCUAJJZMUJC-SFHVURJKSA-N 1 0 399.491 3.166 50 0 GGAARO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4c(C)cc(C)[nH]c4=O)C3)C2)c1 ZINC000012592630 221211415 /nfs/dbraw/zinc/21/14/15/221211415.db2.gz JKUIHRMUASKPMY-DEOSSOPVSA-N 1 0 393.531 3.428 50 0 GGAARO CC[NH+](CC)CCN(C)C(=O)c1cc(COc2ccccc2SC)on1 ZINC000012587448 221211561 /nfs/dbraw/zinc/21/15/61/221211561.db2.gz QTQKRFHRJOQODR-UHFFFAOYSA-N 1 0 377.510 3.389 50 0 GGAARO O=C(c1ccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)cc1)N1CCCC1 ZINC000012592433 221211594 /nfs/dbraw/zinc/21/15/94/221211594.db2.gz XDWADKHOBKTKLU-UHFFFAOYSA-N 1 0 384.476 3.051 50 0 GGAARO O[C@H](COc1ccc(Cl)cc1CN1CCCCO1)C[NH+]1CCCCCC1 ZINC000012588245 221211613 /nfs/dbraw/zinc/21/16/13/221211613.db2.gz CTBHWBRDGVCEAU-IBGZPJMESA-N 1 0 382.932 3.483 50 0 GGAARO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4c(C)cc(C)[nH]c4=O)C3)C2)c1 ZINC000012592625 221211700 /nfs/dbraw/zinc/21/17/00/221211700.db2.gz JKUIHRMUASKPMY-XMMPIXPASA-N 1 0 393.531 3.428 50 0 GGAARO O=C(CCN1CCCCO1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012747870 221223724 /nfs/dbraw/zinc/22/37/24/221223724.db2.gz NGMFTUSCZYHMMN-JOCHJYFZSA-N 1 0 389.515 3.058 50 0 GGAARO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](C3CCOCC3)C2)cc(OC)c1 ZINC000012748486 221224099 /nfs/dbraw/zinc/22/40/99/221224099.db2.gz NIXFADDAGXXKOW-MRXNPFEDSA-N 1 0 376.497 3.314 50 0 GGAARO COc1ccc(F)c(-c2nc(C[N@H+](C[C@H]3CCC(=O)N3)C(C)C)c(C)o2)c1 ZINC000012757008 221226440 /nfs/dbraw/zinc/22/64/40/221226440.db2.gz NYOFYCOCZQCAIF-CQSZACIVSA-N 1 0 375.444 3.287 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](CCCn2cccn2)C1)c1cccc(C(F)(F)F)c1 ZINC000012757423 221226669 /nfs/dbraw/zinc/22/66/69/221226669.db2.gz MQHKREWNKKCSGN-MRXNPFEDSA-N 1 0 394.441 3.434 50 0 GGAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](C4CCOCC4)CC3)c2)s1 ZINC000012760702 221226673 /nfs/dbraw/zinc/22/66/73/221226673.db2.gz WXMALLNQYZMBNZ-UHFFFAOYSA-N 1 0 386.521 3.343 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)c1cccc(C(F)(F)F)c1 ZINC000012757418 221227353 /nfs/dbraw/zinc/22/73/53/221227353.db2.gz MQHKREWNKKCSGN-INIZCTEOSA-N 1 0 394.441 3.434 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000012762004 221227763 /nfs/dbraw/zinc/22/77/63/221227763.db2.gz GKACJCHHYVWVIM-QFIPXVFZSA-N 1 0 394.515 3.434 50 0 GGAARO CCCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012835493 221237151 /nfs/dbraw/zinc/23/71/51/221237151.db2.gz XSPFTUVVMNEGJL-KRWDZBQOSA-N 1 0 384.524 3.425 50 0 GGAARO Cc1noc2nc(C)cc(C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)c12 ZINC000013641909 221278243 /nfs/dbraw/zinc/27/82/43/221278243.db2.gz VXPBQAFDDNMODI-UHFFFAOYSA-N 1 0 394.519 3.422 50 0 GGAARO O=C1c2ccccc2C(=O)N1CCC[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 ZINC000013776651 221287904 /nfs/dbraw/zinc/28/79/04/221287904.db2.gz CPZKOPWSMSTJEN-UHFFFAOYSA-N 1 0 390.438 3.214 50 0 GGAARO CCOc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc3c(c2)OCO3)cc1 ZINC000013766333 221288301 /nfs/dbraw/zinc/28/83/01/221288301.db2.gz QCIVWDKQCGDMHD-HSZRJFAPSA-N 1 0 395.479 3.464 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000013786107 221289328 /nfs/dbraw/zinc/28/93/28/221289328.db2.gz UVLGBEOLPJWMGW-KGLIPLIRSA-N 1 0 387.480 3.412 50 0 GGAARO Cc1c2cc(Br)ccc2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013691600 221282535 /nfs/dbraw/zinc/28/25/35/221282535.db2.gz VHTMSCXOQQOREC-UHFFFAOYSA-N 1 0 393.281 3.398 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014541026 221312067 /nfs/dbraw/zinc/31/20/67/221312067.db2.gz FTWLWJMJCSRMSS-QGZVFWFLSA-N 1 0 386.565 3.487 50 0 GGAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014541291 221312311 /nfs/dbraw/zinc/31/23/11/221312311.db2.gz BJXUGPHMKWUQTG-UHFFFAOYSA-N 1 0 398.532 3.005 50 0 GGAARO O=S(=O)(C1CC1)N1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000014969450 221321324 /nfs/dbraw/zinc/32/13/24/221321324.db2.gz RMFBBAFKMMEBTB-KRWDZBQOSA-N 1 0 382.957 3.366 50 0 GGAARO COCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccccc1)C3 ZINC000014971667 221321399 /nfs/dbraw/zinc/32/13/99/221321399.db2.gz MZEUPXHALAHXHU-MRXNPFEDSA-N 1 0 383.517 3.142 50 0 GGAARO CSCCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014968533 221321473 /nfs/dbraw/zinc/32/14/73/221321473.db2.gz USENRHNXKHBTNE-HXUWFJFHSA-N 1 0 389.609 3.232 50 0 GGAARO COC[C@H]1CCN(C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)C1 ZINC000014965313 221321489 /nfs/dbraw/zinc/32/14/89/221321489.db2.gz JEUXMLSZZNLSTK-KRWDZBQOSA-N 1 0 390.524 3.055 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000014965269 221321512 /nfs/dbraw/zinc/32/15/12/221321512.db2.gz BJEDWAQDBLBXKB-NRFANRHFSA-N 1 0 380.488 3.091 50 0 GGAARO OCCOc1ccc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000014973680 221321647 /nfs/dbraw/zinc/32/16/47/221321647.db2.gz DEEPFZMBGYKOOX-QGZVFWFLSA-N 1 0 383.517 3.426 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000014969427 221321923 /nfs/dbraw/zinc/32/19/23/221321923.db2.gz BMCLGPBMRHDXGD-PMBTYSEPSA-N 1 0 386.511 3.094 50 0 GGAARO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000014967041 221321947 /nfs/dbraw/zinc/32/19/47/221321947.db2.gz HWQRUZQIUINTHZ-NRFANRHFSA-N 1 0 397.563 3.148 50 0 GGAARO CC(C)(CO)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000014967846 221322254 /nfs/dbraw/zinc/32/22/54/221322254.db2.gz JFJKHZBAFPQYFA-UHFFFAOYSA-N 1 0 379.460 3.376 50 0 GGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000014965374 221322278 /nfs/dbraw/zinc/32/22/78/221322278.db2.gz JBDMFMGUGZQDOX-MRXNPFEDSA-N 1 0 390.549 3.280 50 0 GGAARO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@H+](Cc1ccc3nonc3c1)C2 ZINC000014961921 221322295 /nfs/dbraw/zinc/32/22/95/221322295.db2.gz MJQBBIYWHAMSOY-JOCHJYFZSA-N 1 0 394.450 3.377 50 0 GGAARO COc1cc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc(OC)c1OC ZINC000014966741 221322367 /nfs/dbraw/zinc/32/23/67/221322367.db2.gz FCHTVEUROFXICV-UHFFFAOYSA-N 1 0 394.475 3.029 50 0 GGAARO C[NH+](C)[C@@H]1CCN(C(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)C1 ZINC000014975802 221322939 /nfs/dbraw/zinc/32/29/39/221322939.db2.gz GMKBZRKOSINYOT-CYBMUJFWSA-N 1 0 383.370 3.049 50 0 GGAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014975154 221323032 /nfs/dbraw/zinc/32/30/32/221323032.db2.gz YOKSFLQAKCILKV-QGZVFWFLSA-N 1 0 383.458 3.042 50 0 GGAARO C[C@H](NC(=O)c1ccc(N2CCC([NH+]3CCOCC3)CC2)cc1)c1ccccc1 ZINC000014974354 221323309 /nfs/dbraw/zinc/32/33/09/221323309.db2.gz BOQCQOBSADTEOU-IBGZPJMESA-N 1 0 393.531 3.479 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014542303 221312633 /nfs/dbraw/zinc/31/26/33/221312633.db2.gz IJLKWOWZYRZFOF-KRWDZBQOSA-N 1 0 384.499 3.223 50 0 GGAARO C/C(=C\c1ccco1)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C ZINC000014747630 221315251 /nfs/dbraw/zinc/31/52/51/221315251.db2.gz YXHAUWDJAWBXHX-GHRIWEEISA-N 1 0 394.475 3.007 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1C)C2 ZINC000014754204 221315470 /nfs/dbraw/zinc/31/54/70/221315470.db2.gz VWEOTIHWFOMANX-LJQANCHMSA-N 1 0 380.536 3.485 50 0 GGAARO Cc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014744899 221315759 /nfs/dbraw/zinc/31/57/59/221315759.db2.gz LOCUPOCBFNWOSO-SFHVURJKSA-N 1 0 392.503 3.241 50 0 GGAARO CCOCCC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014749231 221315891 /nfs/dbraw/zinc/31/58/91/221315891.db2.gz CHQICPQGFJAYPJ-SFHVURJKSA-N 1 0 390.572 3.039 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1cccc(F)c1)C2 ZINC000014751307 221316068 /nfs/dbraw/zinc/31/60/68/221316068.db2.gz LXTRRMQUAGVYCW-LJQANCHMSA-N 1 0 398.526 3.358 50 0 GGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@H+](C)Cc1ccco1)CC2 ZINC000014746169 221316147 /nfs/dbraw/zinc/31/61/47/221316147.db2.gz TZZJZQSGRVBNOK-GOSISDBHSA-N 1 0 392.503 3.216 50 0 GGAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000014749693 221316206 /nfs/dbraw/zinc/31/62/06/221316206.db2.gz SNDNHHZSJVIJSJ-LJQANCHMSA-N 1 0 395.551 3.351 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC)c1)C2 ZINC000014749298 221316319 /nfs/dbraw/zinc/31/63/19/221316319.db2.gz RJBDIBQSVHMHOR-SFHVURJKSA-N 1 0 396.535 3.185 50 0 GGAARO O=C1C[N@@H+](C2CCCC2)C[C@H](OCc2ccccc2)CN1CC1CCOCC1 ZINC000014754946 221316510 /nfs/dbraw/zinc/31/65/10/221316510.db2.gz DVFMTMRHXHQYBZ-QFIPXVFZSA-N 1 0 386.536 3.085 50 0 GGAARO C[NH+]1CCC(C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)CC1 ZINC000014882605 221317274 /nfs/dbraw/zinc/31/72/74/221317274.db2.gz KIFZXVYKHXFVRU-GOSISDBHSA-N 1 0 385.895 3.164 50 0 GGAARO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)cc2c1OCO2 ZINC000014959085 221319943 /nfs/dbraw/zinc/31/99/43/221319943.db2.gz JGILILHNLHRVCH-CQSZACIVSA-N 1 0 388.489 3.127 50 0 GGAARO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)n(C)n1 ZINC000014952860 221320219 /nfs/dbraw/zinc/32/02/19/221320219.db2.gz XBLWFDCOSHLLJE-OAQYLSRUSA-N 1 0 388.462 3.135 50 0 GGAARO COc1cc(C[C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)NCc3ccco3)CC2)ccc1O ZINC000014958785 221320229 /nfs/dbraw/zinc/32/02/29/221320229.db2.gz ULPLRWCSLYNASL-APWZRJJASA-N 1 0 398.503 3.343 50 0 GGAARO Fc1ccc(C[NH2+]Cc2cccnc2N2CCN(c3ccccn3)CC2)cc1F ZINC000015072585 221331969 /nfs/dbraw/zinc/33/19/69/221331969.db2.gz GBGKYBXGSMBJFN-UHFFFAOYSA-N 1 0 395.457 3.371 50 0 GGAARO CCCc1cc(CNC(=O)c2ccc(N3CCC([NH+]4CCCC4)CC3)nc2)on1 ZINC000014981481 221324489 /nfs/dbraw/zinc/32/44/89/221324489.db2.gz MTXWNAHIOAYZFP-UHFFFAOYSA-N 1 0 397.523 3.017 50 0 GGAARO COC(=O)c1ccc(NC(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)cc1 ZINC000014981563 221325247 /nfs/dbraw/zinc/32/52/47/221325247.db2.gz IANPAZSPGGTNRB-HXUWFJFHSA-N 1 0 396.491 3.039 50 0 GGAARO Cc1ccsc1C[N@H+]1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000014986650 221325372 /nfs/dbraw/zinc/32/53/72/221325372.db2.gz DKPKUMXJCBLXLA-MRXNPFEDSA-N 1 0 375.542 3.231 50 0 GGAARO O=C(c1cn(C[C@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)nn1)N1CCCC1 ZINC000014986048 221325386 /nfs/dbraw/zinc/32/53/86/221325386.db2.gz NYTSYXCBQWHGSD-UUFSNNOVSA-N 1 0 397.567 3.051 50 0 GGAARO CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014995545 221325473 /nfs/dbraw/zinc/32/54/73/221325473.db2.gz GVJQBUGOJWRNMB-IBGZPJMESA-N 1 0 397.523 3.140 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc4cccnc4c3)C2)nn1 ZINC000015003490 221326130 /nfs/dbraw/zinc/32/61/30/221326130.db2.gz KYJBGJPAAUYXQF-LJQANCHMSA-N 1 0 392.507 3.145 50 0 GGAARO CC[C@@H]1CN(C(=O)c2ccc(NCc3cccc(C)n3)nc2)CC[N@@H+]1C(C)C ZINC000015063283 221327668 /nfs/dbraw/zinc/32/76/68/221327668.db2.gz ZKSPNKRKCZFACG-HXUWFJFHSA-N 1 0 381.524 3.342 50 0 GGAARO O=C(CCC(F)(F)F)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000015064269 221327935 /nfs/dbraw/zinc/32/79/35/221327935.db2.gz GXBBBPVOTIDVHP-KRWDZBQOSA-N 1 0 387.421 3.281 50 0 GGAARO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000015063302 221328128 /nfs/dbraw/zinc/32/81/28/221328128.db2.gz KRQSFKZNHVUKEN-MRXNPFEDSA-N 1 0 384.524 3.423 50 0 GGAARO Cc1cc(C(=O)N2CCC([C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)nn1C ZINC000015063644 221328386 /nfs/dbraw/zinc/32/83/86/221328386.db2.gz COMPWFNEVAKDEJ-NRFANRHFSA-N 1 0 380.536 3.145 50 0 GGAARO COCCC(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000015067897 221329112 /nfs/dbraw/zinc/32/91/12/221329112.db2.gz HZLSNLSDIRDFQG-UHFFFAOYSA-N 1 0 386.458 3.455 50 0 GGAARO O=C(Cn1cccn1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015069957 221329281 /nfs/dbraw/zinc/32/92/81/221329281.db2.gz AUUNCMRDEASPFY-OAQYLSRUSA-N 1 0 395.551 3.352 50 0 GGAARO COCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015066007 221329383 /nfs/dbraw/zinc/32/93/83/221329383.db2.gz CJLZPRQZDXFPGZ-HXUWFJFHSA-N 1 0 392.515 3.082 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)cc1OC ZINC000015069047 221330212 /nfs/dbraw/zinc/33/02/12/221330212.db2.gz XHRQYASZKZLZSI-GOSISDBHSA-N 1 0 386.492 3.384 50 0 GGAARO Cc1nonc1[C@@H]1CCCN1C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000015072120 221330798 /nfs/dbraw/zinc/33/07/98/221330798.db2.gz PHNYQBCZRSPQSL-IBGZPJMESA-N 1 0 380.492 3.065 50 0 GGAARO CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c(C)n1 ZINC000015075550 221330809 /nfs/dbraw/zinc/33/08/09/221330809.db2.gz XMLWGJBGWOVTMC-HSZRJFAPSA-N 1 0 396.535 3.235 50 0 GGAARO CC(C)CNC(=O)c1cn(C2CC[NH+]([C@@H](C)Cc3ccccc3F)CC2)nn1 ZINC000015071573 221330905 /nfs/dbraw/zinc/33/09/05/221330905.db2.gz LVOFVFAGDXTAFG-INIZCTEOSA-N 1 0 387.503 3.071 50 0 GGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000015073145 221331389 /nfs/dbraw/zinc/33/13/89/221331389.db2.gz FCVHYCPYBBOBTN-IBGZPJMESA-N 1 0 398.576 3.136 50 0 GGAARO O=C(CCC1CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1)N1CCOCC1 ZINC000015074875 221331531 /nfs/dbraw/zinc/33/15/31/221331531.db2.gz KSCYSMLQICBHFV-UHFFFAOYSA-N 1 0 385.483 3.225 50 0 GGAARO COCCNC(=O)c1cccc(OC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000015073605 221331623 /nfs/dbraw/zinc/33/16/23/221331623.db2.gz CVFPNZYSUWBECA-UHFFFAOYSA-N 1 0 394.515 3.073 50 0 GGAARO Cn1ncc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)nc2Nc1ccccc1 ZINC000015682330 221340089 /nfs/dbraw/zinc/34/00/89/221340089.db2.gz JOVJDUGAPNDIGB-UHFFFAOYSA-N 1 0 399.502 3.429 50 0 GGAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000016622021 221366580 /nfs/dbraw/zinc/36/65/80/221366580.db2.gz UBJBUYOWEFBPJV-SFHVURJKSA-N 1 0 381.476 3.410 50 0 GGAARO Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C ZINC000016649889 221367900 /nfs/dbraw/zinc/36/79/00/221367900.db2.gz SWQCBXOOAAAVHJ-UHFFFAOYSA-N 1 0 378.476 3.495 50 0 GGAARO Cc1ccc(CN2C(=O)NC3(CC[NH+](Cc4ccccc4F)CC3)C2=O)cc1 ZINC000016847618 221372418 /nfs/dbraw/zinc/37/24/18/221372418.db2.gz FBYIVWONDLWYCS-UHFFFAOYSA-N 1 0 381.451 3.221 50 0 GGAARO COc1ccc(CN2C(=O)C[C@H]([NH+]3CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000018222850 221391755 /nfs/dbraw/zinc/39/17/55/221391755.db2.gz GYSVKBPUPRJWFJ-NRFANRHFSA-N 1 0 378.472 3.202 50 0 GGAARO Cc1nccn1CC[N@@H+](C)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000019113591 221396536 /nfs/dbraw/zinc/39/65/36/221396536.db2.gz LBOBJFUNDJQRQR-UHFFFAOYSA-N 1 0 391.519 3.343 50 0 GGAARO FC(F)(F)c1cccc(Cc2noc(CN3CC[NH+](CC4CC4)CC3)n2)c1 ZINC000019337178 221407846 /nfs/dbraw/zinc/40/78/46/221407846.db2.gz PMKDSYYWUBATHI-UHFFFAOYSA-N 1 0 380.414 3.207 50 0 GGAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccncc2)CC1 ZINC000019742992 221449094 /nfs/dbraw/zinc/44/90/94/221449094.db2.gz ICIAWWVNSFKBIK-UHFFFAOYSA-N 1 0 391.475 3.376 50 0 GGAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCc1cscn1 ZINC000020598546 221502109 /nfs/dbraw/zinc/50/21/09/221502109.db2.gz BYUKKBIJKNEFGF-UHFFFAOYSA-N 1 0 397.548 3.448 50 0 GGAARO CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000020599795 221501167 /nfs/dbraw/zinc/50/11/67/221501167.db2.gz JAIUVQVIAGQHIP-UHFFFAOYSA-N 1 0 377.488 3.158 50 0 GGAARO O=C(c1cccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1)N1CCOCC1 ZINC000020864559 221514618 /nfs/dbraw/zinc/51/46/18/221514618.db2.gz XUAIEXTXCVJWBZ-IBGZPJMESA-N 1 0 384.520 3.359 50 0 GGAARO O=C(CC1=CCCCC1)N1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000020906767 221516740 /nfs/dbraw/zinc/51/67/40/221516740.db2.gz NKBFPUVFOWVCIM-UHFFFAOYSA-N 1 0 387.568 3.202 50 0 GGAARO COc1nccnc1-c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000426612619 533270743 /nfs/dbraw/zinc/27/07/43/533270743.db2.gz RUHJDQGMZWNYRT-MRXNPFEDSA-N 1 0 382.489 3.246 50 0 GGAARO COc1ccc(CN(C(=O)NC[C@@H]2CC[N@H+](C)C2)C2CCCCC2)c(OC)c1 ZINC000426422016 533514949 /nfs/dbraw/zinc/51/49/49/533514949.db2.gz QWISPDNHVLHHBX-KRWDZBQOSA-N 1 0 389.540 3.500 50 0 GGAARO COc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)ccc1OCC[NH3+] ZINC000426473408 533541881 /nfs/dbraw/zinc/54/18/81/533541881.db2.gz GJCFYXWJMCLWCU-UHFFFAOYSA-N 1 0 386.345 3.121 50 0 GGAARO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000409413135 533654063 /nfs/dbraw/zinc/65/40/63/533654063.db2.gz ABVXSWSZNVSTLG-XLIONFOSSA-N 1 0 384.499 3.447 50 0 GGAARO COc1ccc(-c2noc(-c3ccc(N4CC[N@@H+]5CCC[C@@H]5C4)nc3)n2)cc1 ZINC000039489568 132391525 /nfs/dbraw/zinc/39/15/25/132391525.db2.gz BXOQRMJUOANRJS-QGZVFWFLSA-N 1 0 377.448 3.092 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800106 136157771 /nfs/dbraw/zinc/15/77/71/136157771.db2.gz QDWLPWXBHIWXAB-UHFFFAOYSA-N 1 0 398.486 3.187 50 0 GGAARO COc1ccccc1-c1ccc(N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)nn1 ZINC000071759050 136166198 /nfs/dbraw/zinc/16/61/98/136166198.db2.gz VMZSTIBFCNPAIH-QGZVFWFLSA-N 1 0 382.508 3.089 50 0 GGAARO COc1ccccc1-c1ccc(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)nn1 ZINC000071759049 136166240 /nfs/dbraw/zinc/16/62/40/136166240.db2.gz VMZSTIBFCNPAIH-KRWDZBQOSA-N 1 0 382.508 3.089 50 0 GGAARO CCc1cc(N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C)n1 ZINC000072163882 136167346 /nfs/dbraw/zinc/16/73/46/136167346.db2.gz UQORHBUGEOOUOJ-OAQYLSRUSA-N 1 0 379.552 3.447 50 0 GGAARO Cc1cc2nc(-c3ccccc3)cc(N3CCC([NH+]4CCOCC4)CC3)n2n1 ZINC000072439953 136170669 /nfs/dbraw/zinc/17/06/69/136170669.db2.gz MSKZJTMOMLVAAP-UHFFFAOYSA-N 1 0 377.492 3.006 50 0 GGAARO COc1ccccc1NC(=O)NCCNc1nc(N2CCCCC2)cc(C)[nH+]1 ZINC000072442183 136170837 /nfs/dbraw/zinc/17/08/37/136170837.db2.gz ZCGZKGHKWBIBKP-UHFFFAOYSA-N 1 0 384.484 3.018 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)CCc3ccccc3)CC2)[nH+]1 ZINC000077134164 136171725 /nfs/dbraw/zinc/17/17/25/136171725.db2.gz XPPVAQRQFAHFEW-UHFFFAOYSA-N 1 0 393.535 3.057 50 0 GGAARO COc1cccc([C@@H]2CCCN2C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000077421798 136172142 /nfs/dbraw/zinc/17/21/42/136172142.db2.gz AFVWSRYZRAOUPZ-QFIPXVFZSA-N 1 0 379.504 3.424 50 0 GGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2cc(F)cc(F)c2)[nH+]1 ZINC000082230293 136174338 /nfs/dbraw/zinc/17/43/38/136174338.db2.gz STZCEHYBXHFOQW-UHFFFAOYSA-N 1 0 390.438 3.287 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3cc(-n4cccc4)nc(C)[nH+]3)CC2)cc1C ZINC000090607823 136176086 /nfs/dbraw/zinc/17/60/86/136176086.db2.gz XCEBWOYYTDJGKI-UHFFFAOYSA-N 1 0 375.476 3.155 50 0 GGAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000090607828 136176112 /nfs/dbraw/zinc/17/61/12/136176112.db2.gz HKBWECLPGZUIKO-UHFFFAOYSA-N 1 0 399.857 3.331 50 0 GGAARO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](C1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000095356013 136178111 /nfs/dbraw/zinc/17/81/11/136178111.db2.gz AXVZPKMWZMPYMT-DYESRHJHSA-N 1 0 377.960 3.351 50 0 GGAARO Cc1cc(C)nc(N2CCC([NH2+]CCc3nc4cc(Cl)ccc4[nH]3)CC2)n1 ZINC000095369817 136178471 /nfs/dbraw/zinc/17/84/71/136178471.db2.gz BRDYNWFCNHVDRW-UHFFFAOYSA-N 1 0 384.915 3.424 50 0 GGAARO Cc1cc(N2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)cc(C)[nH+]1 ZINC000095385293 136178723 /nfs/dbraw/zinc/17/87/23/136178723.db2.gz MKNRKKWWKLJCFH-UHFFFAOYSA-N 1 0 381.524 3.194 50 0 GGAARO Cc1nnc([C@H](C)[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)[nH]1 ZINC000095497316 136179673 /nfs/dbraw/zinc/17/96/73/136179673.db2.gz AXHDLABWSZSRDP-HNNXBMFYSA-N 1 0 377.496 3.198 50 0 GGAARO Cc1nnc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c2ccccc12 ZINC000095497831 136179707 /nfs/dbraw/zinc/17/97/07/136179707.db2.gz PDKZGABFNKWQOL-GOSISDBHSA-N 1 0 378.524 3.470 50 0 GGAARO COc1cccc2ccc(N3CCC(c4nccn4CC[NH+](C)C)CC3)nc21 ZINC000095498342 136179730 /nfs/dbraw/zinc/17/97/30/136179730.db2.gz LQZALESCYPQAQN-UHFFFAOYSA-N 1 0 379.508 3.386 50 0 GGAARO Cc1cc(N2CCC([NH2+]CCCn3cc(Cl)cn3)CC2)nc(C(C)C)n1 ZINC000095516765 136180885 /nfs/dbraw/zinc/18/08/85/136180885.db2.gz JYRXOFVQZQDKQE-UHFFFAOYSA-N 1 0 376.936 3.407 50 0 GGAARO CCCc1cc(N2CCC([NH+]3CCC(Cn4cccn4)CC3)CC2)nc(C)n1 ZINC000095526770 136181538 /nfs/dbraw/zinc/18/15/38/136181538.db2.gz RGWAEZJRCAMBTC-UHFFFAOYSA-N 1 0 382.556 3.315 50 0 GGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1nc(C)c3c(n1)CCCC3)CC2 ZINC000096141474 136184274 /nfs/dbraw/zinc/18/42/74/136184274.db2.gz IXBLUMRTAFYUSY-UHFFFAOYSA-N 1 0 380.540 3.151 50 0 GGAARO CCCc1cc(N2CCC([N@@H+]3CC[C@H](n4nc(C)cc4C)C3)CC2)nc(C)n1 ZINC000096160104 136184682 /nfs/dbraw/zinc/18/46/82/136184682.db2.gz YWUJHPZXBJGSRT-NRFANRHFSA-N 1 0 382.556 3.467 50 0 GGAARO OCC[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC[N@@H+]1CCc1ccccc1 ZINC000106953186 136191681 /nfs/dbraw/zinc/19/16/81/136191681.db2.gz IGPKWRDETKPSOW-QGZVFWFLSA-N 1 0 379.426 3.216 50 0 GGAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000007109190 136195239 /nfs/dbraw/zinc/19/52/39/136195239.db2.gz ZMZUUMCJRWBPBC-UHFFFAOYSA-N 1 0 381.501 3.392 50 0 GGAARO O=C(c1ccccc1Cl)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697934 136199776 /nfs/dbraw/zinc/19/97/76/136199776.db2.gz YZDNKXHMDYPQIA-UHFFFAOYSA-N 1 0 394.866 3.231 50 0 GGAARO O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697973 136199790 /nfs/dbraw/zinc/19/97/90/136199790.db2.gz AMPVZZUFQGKGEX-UHFFFAOYSA-N 1 0 393.426 3.108 50 0 GGAARO Cc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697989 136199811 /nfs/dbraw/zinc/19/98/11/136199811.db2.gz KLEPPXQOWIBDNL-UHFFFAOYSA-N 1 0 389.463 3.278 50 0 GGAARO COc1ccc(Cl)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011853302 136199818 /nfs/dbraw/zinc/19/98/18/136199818.db2.gz KPMQPEXTMLIKTO-UHFFFAOYSA-N 1 0 387.911 3.291 50 0 GGAARO c1ccc(C[NH+]2CCN(c3nc4nccnc4c(Nc4ccccc4)n3)CC2)cc1 ZINC000022735956 136204500 /nfs/dbraw/zinc/20/45/00/136204500.db2.gz PAIHUJJAWNTTTD-UHFFFAOYSA-N 1 0 397.486 3.486 50 0 GGAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794899 221569674 /nfs/dbraw/zinc/56/96/74/221569674.db2.gz QTWOQYAIAMIPFD-JOCHJYFZSA-N 1 0 381.520 3.112 50 0 GGAARO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)cc1 ZINC000022787387 221570114 /nfs/dbraw/zinc/57/01/14/221570114.db2.gz SCLVBNMQSYWZSX-SFHVURJKSA-N 1 0 389.540 3.037 50 0 GGAARO O=S(=O)(NCC1CC[NH+](C2CCCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000023127607 221582443 /nfs/dbraw/zinc/58/24/43/221582443.db2.gz SUJFDGOZFBIFEB-UHFFFAOYSA-N 1 0 376.566 3.498 50 0 GGAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(COc3ccc(C)cc3OC)on2)C1 ZINC000023232386 221589259 /nfs/dbraw/zinc/58/92/59/221589259.db2.gz GWCNYSYYLNUONI-INIZCTEOSA-N 1 0 387.480 3.127 50 0 GGAARO CC[C@H](Oc1ccccc1F)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027741722 221659443 /nfs/dbraw/zinc/65/94/43/221659443.db2.gz NDEIHZJKANZBMK-IBGZPJMESA-N 1 0 391.531 3.050 50 0 GGAARO Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Br ZINC000041091871 221938703 /nfs/dbraw/zinc/93/87/03/221938703.db2.gz VLIOPMAFAKHYSD-UHFFFAOYSA-N 1 0 389.359 3.345 50 0 GGAARO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000057128991 222030193 /nfs/dbraw/zinc/03/01/93/222030193.db2.gz FPVRTGVPGJESJU-QUZZAMIASA-N 1 0 391.471 3.274 50 0 GGAARO O=C(COc1coc(C[NH+]2CCCC2)cc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000049545343 222000889 /nfs/dbraw/zinc/00/08/89/222000889.db2.gz CRBPVMYWLMHRKJ-UHFFFAOYSA-N 1 0 396.365 3.272 50 0 GGAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]([NH2+]Cc1ccncc1)C(C)(C)C)CC2 ZINC000052607342 222006173 /nfs/dbraw/zinc/00/61/73/222006173.db2.gz COFVZFLCAOUMJT-OAQYLSRUSA-N 1 0 397.519 3.188 50 0 in-vitro GGAARO CCn1nc(C)c(C[N@H+](CC)Cc2c(C)n(C)n(-c3ccccc3)c2=O)c1C ZINC000055133397 222015332 /nfs/dbraw/zinc/01/53/32/222015332.db2.gz UHVOLPZNWABYPC-UHFFFAOYSA-N 1 0 381.524 3.340 50 0 GGAARO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000055167083 222016241 /nfs/dbraw/zinc/01/62/41/222016241.db2.gz CZLWZKIPLFSFRF-HXUWFJFHSA-N 1 0 388.899 3.100 50 0 GGAARO Cc1sc2nc(C[NH2+]Cc3c(C)n(CC(N)=O)c4ccccc34)cn2c1C ZINC000055098951 222016493 /nfs/dbraw/zinc/01/64/93/222016493.db2.gz RZGSQIDSRLEHRD-UHFFFAOYSA-N 1 0 381.505 3.051 50 0 GGAARO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055220552 222018819 /nfs/dbraw/zinc/01/88/19/222018819.db2.gz YHOMBZDWEQPAKY-JXFKEZNVSA-N 1 0 385.508 3.349 50 0 GGAARO CCc1oc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1C[NH+](CC)CC ZINC000055283581 222019606 /nfs/dbraw/zinc/01/96/06/222019606.db2.gz SHILKBNWKUBYRU-UHFFFAOYSA-N 1 0 397.479 3.401 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000055358807 222020677 /nfs/dbraw/zinc/02/06/77/222020677.db2.gz HBBQIEWRICNXTD-MRXNPFEDSA-N 1 0 383.423 3.496 50 0 GGAARO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000061999542 222065223 /nfs/dbraw/zinc/06/52/23/222065223.db2.gz AIGVRVSZUIFPMJ-QUZZAMIASA-N 1 0 391.471 3.274 50 0 biogenic GGAARO Cc1ccc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)cc(-c3cncnc3)nc2c1C ZINC000063834100 222068087 /nfs/dbraw/zinc/06/80/87/222068087.db2.gz VDLPVSKALGACQQ-KRWDZBQOSA-N 1 0 375.476 3.085 50 0 GGAARO Cc1ccc2c(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc(-c3cnn(C)c3)nc2c1C ZINC000063844980 222068096 /nfs/dbraw/zinc/06/80/96/222068096.db2.gz VJRRXJZCNMZBER-SFHVURJKSA-N 1 0 391.519 3.418 50 0 GGAARO Cc1cccc2c(C(=O)N(C)CC3CC[NH+](C)CC3)cc(-c3cnn(C)c3)nc12 ZINC000063856149 222069671 /nfs/dbraw/zinc/06/96/71/222069671.db2.gz JPAMZJZKKBYMOJ-UHFFFAOYSA-N 1 0 391.519 3.358 50 0 GGAARO CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071748893 222189279 /nfs/dbraw/zinc/18/92/79/222189279.db2.gz NKQJZVPCCKYCTJ-JOCHJYFZSA-N 1 0 398.595 3.407 50 0 GGAARO CCc1ncc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000071750145 222189355 /nfs/dbraw/zinc/18/93/55/222189355.db2.gz KGHTUDWBXTZFCS-MDNUFGMLSA-N 1 0 378.520 3.110 50 0 GGAARO O=C(c1ccccc1)N1CCC([NH2+]CCN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000065371076 222126139 /nfs/dbraw/zinc/12/61/39/222126139.db2.gz YVUPTDPUAIFGQD-JOCHJYFZSA-N 1 0 377.532 3.370 50 0 GGAARO Cn1nccc1NC(=O)c1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000065381999 222126295 /nfs/dbraw/zinc/12/62/95/222126295.db2.gz BWQBRMVTBKBECS-UHFFFAOYSA-N 1 0 378.432 3.033 50 0 GGAARO Cc1cc2oc(=O)cc(C[NH2+]CCc3nc(-c4ccccn4)no3)c2cc1C ZINC000065376487 222126419 /nfs/dbraw/zinc/12/64/19/222126419.db2.gz LWMVYMMENFXEPN-UHFFFAOYSA-N 1 0 376.416 3.187 50 0 GGAARO COCC[NH+]1CCC(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)CC1 ZINC000065403918 222127587 /nfs/dbraw/zinc/12/75/87/222127587.db2.gz YKVUQGWTDTZGIL-HSZRJFAPSA-N 1 0 384.520 3.202 50 0 GGAARO Cc1ncc(CO)c(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O ZINC000065419441 222127964 /nfs/dbraw/zinc/12/79/64/222127964.db2.gz ZQJCJBDNBCGVRJ-GOSISDBHSA-N 1 0 391.471 3.345 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cc(F)cc(F)c3)CC2)C1)N1CCCC1 ZINC000071747469 222189460 /nfs/dbraw/zinc/18/94/60/222189460.db2.gz GZGFLZWHNVTPLL-GOSISDBHSA-N 1 0 391.506 3.264 50 0 GGAARO COc1cc([C@@H](C)Nc2nc(CC[NH3+])nc3ccccc32)cc(OC)c1OC ZINC000065404670 222128314 /nfs/dbraw/zinc/12/83/14/222128314.db2.gz JTXKMCFJUPPJBA-CYBMUJFWSA-N 1 0 382.464 3.330 50 0 GGAARO Cc1cccc(-n2nc(CCc3ccccc3)nc2C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000065422329 222129415 /nfs/dbraw/zinc/12/94/15/222129415.db2.gz CIOZQLKBXRLCPW-QFIPXVFZSA-N 1 0 389.547 3.149 50 0 GGAARO O=C(C1CC1)N1CCC([N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 ZINC000065459514 222129449 /nfs/dbraw/zinc/12/94/49/222129449.db2.gz BCGGZGXDMDBLRP-XZOQPEGZSA-N 1 0 378.516 3.391 50 0 GGAARO O=C(CC[NH+]1CCC([C@@H](O)c2cccs2)CC1)N1CCc2ccccc2C1 ZINC000065424130 222129816 /nfs/dbraw/zinc/12/98/16/222129816.db2.gz LXDONXBVSDMVNJ-JOCHJYFZSA-N 1 0 384.545 3.469 50 0 GGAARO CC[C@H](Cn1cnc(-c2ccccc2)c1-c1cnn(CC)c1)[NH+]1CCN(C)CC1 ZINC000065492556 222131759 /nfs/dbraw/zinc/13/17/59/222131759.db2.gz OIFAZKDNOCHISJ-OAQYLSRUSA-N 1 0 392.551 3.460 50 0 GGAARO CCn1ccnc1-c1c(-c2ccccc2)ncn1CC[N@@H+]1CCCC[C@@H]1CO ZINC000065525605 222132937 /nfs/dbraw/zinc/13/29/37/222132937.db2.gz CZLFKBFQLWMPGQ-LJQANCHMSA-N 1 0 379.508 3.280 50 0 GGAARO Cc1ccc(-c2nc(NCC[N@@H+]3CCC[C@@H](O)C3)ncc2-c2cccnc2)cc1 ZINC000065526201 222133110 /nfs/dbraw/zinc/13/31/10/222133110.db2.gz PFBDEUZXIMQFID-HXUWFJFHSA-N 1 0 389.503 3.383 50 0 GGAARO Cc1nn(C)c(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cccn2)cc1 ZINC000065508201 222133251 /nfs/dbraw/zinc/13/32/51/222133251.db2.gz KCTOKMNBKRTKGS-FQEVSTJZSA-N 1 0 392.507 3.150 50 0 GGAARO NC(=O)CCn1cc(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)c2ccccc21 ZINC000065532943 222133301 /nfs/dbraw/zinc/13/33/01/222133301.db2.gz IUIHUJQUWDCTIL-IBGZPJMESA-N 1 0 376.504 3.366 50 0 GGAARO NC(=O)CCn1cc(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)c2ccccc21 ZINC000065532936 222133669 /nfs/dbraw/zinc/13/36/69/222133669.db2.gz IUIHUJQUWDCTIL-LJQANCHMSA-N 1 0 376.504 3.366 50 0 GGAARO Cc1ccc(Nc2nn[nH]c2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000067284496 222143575 /nfs/dbraw/zinc/14/35/75/222143575.db2.gz IXNGGZLGVBBOHB-UHFFFAOYSA-N 1 0 382.512 3.256 50 0 GGAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c(=O)c2C1 ZINC000067291779 222144025 /nfs/dbraw/zinc/14/40/25/222144025.db2.gz VXPUDZCFAFWMHD-UHFFFAOYSA-N 1 0 390.484 3.129 50 0 GGAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cc2cc(F)ccc2[nH]1 ZINC000067458870 222146772 /nfs/dbraw/zinc/14/67/72/222146772.db2.gz NEJMGBVAWQUMMF-QFIPXVFZSA-N 1 0 387.499 3.330 50 0 GGAARO Cc1cc(C)c2nc(C)cc(C(=O)N3CCC4(CC3)C[N@@H+](C)CCN4C)c2c1 ZINC000067473225 222146917 /nfs/dbraw/zinc/14/69/17/222146917.db2.gz JWZPCSITGMCQBM-UHFFFAOYSA-N 1 0 380.536 3.012 50 0 GGAARO CCn1cc(C[N@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)cn1 ZINC000067588791 222149182 /nfs/dbraw/zinc/14/91/82/222149182.db2.gz HAHKVYSXBCEHEZ-HSZRJFAPSA-N 1 0 398.551 3.012 50 0 GGAARO CCNc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(C)[nH+]1 ZINC000067601760 222149517 /nfs/dbraw/zinc/14/95/17/222149517.db2.gz VKZHZUGWISBJEJ-UHFFFAOYSA-N 1 0 375.476 3.332 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000067588027 222150028 /nfs/dbraw/zinc/15/00/28/222150028.db2.gz SPNGMLCAMVZTKC-XMMPIXPASA-N 1 0 391.515 3.244 50 0 GGAARO C[N@@H+]1CCC[C@H](C(=O)NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)C1 ZINC000067605491 222150286 /nfs/dbraw/zinc/15/02/86/222150286.db2.gz FKXUOAWLONQEIE-INIZCTEOSA-N 1 0 393.466 3.236 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1Cl ZINC000067613057 222152593 /nfs/dbraw/zinc/15/25/93/222152593.db2.gz BBXPAOXLGUKZPH-UHFFFAOYSA-N 1 0 388.903 3.167 50 0 GGAARO CCNc1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)nc(C)[nH+]1 ZINC000067612872 222152721 /nfs/dbraw/zinc/15/27/21/222152721.db2.gz XZXFWIIBTKYKGD-UHFFFAOYSA-N 1 0 375.476 3.332 50 0 GGAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000067673810 222153336 /nfs/dbraw/zinc/15/33/36/222153336.db2.gz BZPYLAJBHIFOAT-NRFANRHFSA-N 1 0 392.547 3.074 50 0 GGAARO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@H]2c2nc(-c3ccncc3)no2)n1 ZINC000067673462 222153917 /nfs/dbraw/zinc/15/39/17/222153917.db2.gz FTGYXUAOFXXIJT-SFHVURJKSA-N 1 0 391.479 3.039 50 0 GGAARO NC(=O)CCn1cc(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)c2ccccc21 ZINC000067673426 222154077 /nfs/dbraw/zinc/15/40/77/222154077.db2.gz CQJZPBIEWPHFDJ-UHFFFAOYSA-N 1 0 391.450 3.131 50 0 GGAARO C[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067675793 222154179 /nfs/dbraw/zinc/15/41/79/222154179.db2.gz GTMDIZIOZDFHQG-UHFFFAOYSA-N 1 0 376.460 3.473 50 0 GGAARO CN1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC12CCN(C(=O)c1ccccc1)CC2 ZINC000067688966 222156041 /nfs/dbraw/zinc/15/60/41/222156041.db2.gz OCHNKPSSUNNCRF-NNWRFLSQSA-N 1 0 379.548 3.121 50 0 GGAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)o2)n[nH]1 ZINC000067725239 222156197 /nfs/dbraw/zinc/15/61/97/222156197.db2.gz ONFDLBGOILDIGH-OAHLLOKOSA-N 1 0 376.420 3.494 50 0 GGAARO O=C([C@@H]1CCC[NH2+]1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067694901 222156472 /nfs/dbraw/zinc/15/64/72/222156472.db2.gz ASBWQVSIGKBWEQ-INIZCTEOSA-N 1 0 395.484 3.142 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1ccc(F)cc1F ZINC000067739764 222157425 /nfs/dbraw/zinc/15/74/25/222157425.db2.gz OTZKYTJDGMPOIB-JOCHJYFZSA-N 1 0 388.458 3.041 50 0 GGAARO COc1cc(-c2nc(C[NH+]3CCC(C(C)(C)O)CC3)c(C)o2)cc2c1OCO2 ZINC000067726071 222157767 /nfs/dbraw/zinc/15/77/67/222157767.db2.gz NBEQMDVRMCPMAP-UHFFFAOYSA-N 1 0 388.464 3.370 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc4ncsc4c3)cnn2c1 ZINC000067754980 222157954 /nfs/dbraw/zinc/15/79/54/222157954.db2.gz USKJVEJHNLDCPX-UHFFFAOYSA-N 1 0 380.477 3.433 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCc3ccccc3)C2=O)cc1 ZINC000067805142 222161236 /nfs/dbraw/zinc/16/12/36/222161236.db2.gz KOKJYPRWUHPXQY-XMMPIXPASA-N 1 0 380.532 3.496 50 0 GGAARO O=C1N[C@](Cc2ccccc2F)(C2CC[NH2+]CC2)C(=O)N1C1CCCCCC1 ZINC000067834446 222162127 /nfs/dbraw/zinc/16/21/27/222162127.db2.gz YXDVHHSFUHVORR-JOCHJYFZSA-N 1 0 387.499 3.381 50 0 GGAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000067821322 222162249 /nfs/dbraw/zinc/16/22/49/222162249.db2.gz NJKHQNHSURJVLX-JOCHJYFZSA-N 1 0 392.547 3.074 50 0 GGAARO C[C@@H]([NH3+])CC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067850246 222162804 /nfs/dbraw/zinc/16/28/04/222162804.db2.gz AHAXUVLSBCKVGB-GFCCVEGCSA-N 1 0 383.473 3.127 50 0 GGAARO CC[C@@H]1CN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CC[NH2+]1 ZINC000067847181 222163108 /nfs/dbraw/zinc/16/31/08/222163108.db2.gz QFEPNJXRXYUGRX-QGZVFWFLSA-N 1 0 395.459 3.239 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)CCc3ccccn3)C2=O)cc1 ZINC000067847114 222163665 /nfs/dbraw/zinc/16/36/65/222163665.db2.gz MELJZOMKAQWIKV-DEOSSOPVSA-N 1 0 395.547 3.233 50 0 GGAARO CC(C)CC[C@@H](C)Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067847246 222163884 /nfs/dbraw/zinc/16/38/84/222163884.db2.gz PSCKNSCGOAEKDW-GOSISDBHSA-N 1 0 388.556 3.255 50 0 GGAARO Cc1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc(N2CCCC2)[nH+]1 ZINC000067884229 222164871 /nfs/dbraw/zinc/16/48/71/222164871.db2.gz WNKBWOUAJGVBOU-UHFFFAOYSA-N 1 0 378.455 3.289 50 0 GGAARO CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CCc2ccccc2)C3)cn1 ZINC000067872989 222164939 /nfs/dbraw/zinc/16/49/39/222164939.db2.gz OEALEJFYBSJTOC-HSZRJFAPSA-N 1 0 380.536 3.350 50 0 GGAARO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)COc2ccccc2)C3)n1 ZINC000067885299 222165121 /nfs/dbraw/zinc/16/51/21/222165121.db2.gz OZRZRPSAFWPEQR-QHCPKHFHSA-N 1 0 379.504 3.284 50 0 GGAARO CC(C)[C@@H](C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C)c1ccc(Cl)cc1 ZINC000067883997 222165997 /nfs/dbraw/zinc/16/59/97/222165997.db2.gz OLOYTTFDOHQRBY-LJQANCHMSA-N 1 0 377.960 3.318 50 0 GGAARO Cc1ncc2c(c1-c1noc(-c3ccccc3NC(=O)C(C)C)n1)CC[NH2+]C2 ZINC000067878358 222166091 /nfs/dbraw/zinc/16/60/91/222166091.db2.gz ODUDGKVTIMYHRG-UHFFFAOYSA-N 1 0 377.448 3.347 50 0 GGAARO CNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc(OC)c4ccccc34)oc2C)C1 ZINC000067908752 222167041 /nfs/dbraw/zinc/16/70/41/222167041.db2.gz HACVSLCTJAHEHK-OAHLLOKOSA-N 1 0 379.460 3.380 50 0 GGAARO Cc1ccc(C)c(CC[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000067909855 222167763 /nfs/dbraw/zinc/16/77/63/222167763.db2.gz GZTILPODXNXDOS-HSZRJFAPSA-N 1 0 384.495 3.128 50 0 GGAARO O=C(CC[N@@H+]1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)Nc1cccnc1 ZINC000067973559 222169260 /nfs/dbraw/zinc/16/92/60/222169260.db2.gz CKHRGCSZYWLGTN-UHFFFAOYSA-N 1 0 383.402 3.137 50 0 GGAARO O=C1CC[C@@H]([NH2+]Cc2nncn2C2CCCCC2)CCN1Cc1ccccc1 ZINC000067983068 222170829 /nfs/dbraw/zinc/17/08/29/222170829.db2.gz WDALQOCHIJUWBQ-LJQANCHMSA-N 1 0 381.524 3.454 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCC1 ZINC000071754340 222191112 /nfs/dbraw/zinc/19/11/12/222191112.db2.gz UYQJANOHAUPDAL-OAQYLSRUSA-N 1 0 384.568 3.161 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000071315631 222179769 /nfs/dbraw/zinc/17/97/69/222179769.db2.gz WCQVZHSUOWHXBB-FQEVSTJZSA-N 1 0 392.547 3.190 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071419482 222183070 /nfs/dbraw/zinc/18/30/70/222183070.db2.gz BBAFTNSEWNLQTJ-MDNUFGMLSA-N 1 0 392.499 3.412 50 0 GGAARO COCc1ncc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071405561 222183574 /nfs/dbraw/zinc/18/35/74/222183574.db2.gz JGIAOMVLEDRIBL-OAQYLSRUSA-N 1 0 386.515 3.495 50 0 GGAARO CC(C)CC1(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071754363 222191283 /nfs/dbraw/zinc/19/12/83/222191283.db2.gz YQKSUZHWIUZSTB-OAQYLSRUSA-N 1 0 398.595 3.453 50 0 GGAARO O=C(Nc1ccccc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071661861 222185765 /nfs/dbraw/zinc/18/57/65/222185765.db2.gz KJLWINMMKSPEKJ-SFHVURJKSA-N 1 0 384.524 3.017 50 0 GGAARO O=C(Nc1ccccc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071661866 222185780 /nfs/dbraw/zinc/18/57/80/222185780.db2.gz KJLWINMMKSPEKJ-GOSISDBHSA-N 1 0 384.524 3.017 50 0 GGAARO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n(C)n1 ZINC000071614763 222186291 /nfs/dbraw/zinc/18/62/91/222186291.db2.gz AADCPEXTKFLTEJ-NRFANRHFSA-N 1 0 386.515 3.494 50 0 GGAARO CNC(=O)c1ccnc(N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071639437 222186433 /nfs/dbraw/zinc/18/64/33/222186433.db2.gz SXCOUWSXJJDVRP-FQEVSTJZSA-N 1 0 384.499 3.317 50 0 GGAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CCCn4nnnc4C)C3)ccc2c1 ZINC000071746230 222186969 /nfs/dbraw/zinc/18/69/69/222186969.db2.gz QNCXQGALJCSBNX-FQEVSTJZSA-N 1 0 393.491 3.128 50 0 GGAARO O=C(NCc1cccs1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071730371 222187851 /nfs/dbraw/zinc/18/78/51/222187851.db2.gz LAVXRUFMDNWASU-LJQANCHMSA-N 1 0 398.576 3.136 50 0 GGAARO Cc1cc(=O)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c[nH]1 ZINC000071736197 222187882 /nfs/dbraw/zinc/18/78/82/222187882.db2.gz VCQQNRJLBMUQNJ-HXUWFJFHSA-N 1 0 385.483 3.195 50 0 GGAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c(=O)[nH]1 ZINC000071745655 222188050 /nfs/dbraw/zinc/18/80/50/222188050.db2.gz DLQJEOWCUBTVDL-FQEVSTJZSA-N 1 0 385.483 3.195 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3coc4ccccc34)CC2)C1 ZINC000071738844 222188110 /nfs/dbraw/zinc/18/81/10/222188110.db2.gz OPNSTCGQCPURFM-INIZCTEOSA-N 1 0 395.503 3.028 50 0 GGAARO Cc1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071712250 222188290 /nfs/dbraw/zinc/18/82/90/222188290.db2.gz PBCUKUKYKVZRRV-IBGZPJMESA-N 1 0 398.551 3.326 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000071752732 222192182 /nfs/dbraw/zinc/19/21/82/222192182.db2.gz UGYNPDTVHKHABI-AWEZNQCLSA-N 1 0 396.457 3.060 50 0 GGAARO CC(C)[C@@H]1CN(C2CCN(C(=O)c3ccccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071752076 222192289 /nfs/dbraw/zinc/19/22/89/222192289.db2.gz BVRFLXNYNDAOOG-QFIPXVFZSA-N 1 0 384.568 3.129 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)N(C/C=C/c3ccccc3)C3CC3)C2)CC1 ZINC000071752806 222192808 /nfs/dbraw/zinc/19/28/08/222192808.db2.gz SSTPJSHWZPXEMP-OWLMGLOSSA-N 1 0 381.564 3.497 50 0 GGAARO CN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071757062 222193601 /nfs/dbraw/zinc/19/36/01/222193601.db2.gz ITODHWQVUBJKDQ-QFIPXVFZSA-N 1 0 398.595 3.407 50 0 GGAARO COc1ccccc1OCc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[nH]n1 ZINC000071761580 222193974 /nfs/dbraw/zinc/19/39/74/222193974.db2.gz VAMQWKAGBQLPKH-UHFFFAOYSA-N 1 0 386.496 3.036 50 0 GGAARO CN(CC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071763450 222195513 /nfs/dbraw/zinc/19/55/13/222195513.db2.gz DAQAPYANHINMQW-HXUWFJFHSA-N 1 0 386.584 3.263 50 0 GGAARO CC[NH+](CC)CC[C@@]1(c2ccccc2)c2ccccc2N(N2CCOCC2)C1=O ZINC000071767307 222195582 /nfs/dbraw/zinc/19/55/82/222195582.db2.gz IIQWKNCAWJWBHP-XMMPIXPASA-N 1 0 393.531 3.298 50 0 GGAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2cccc(Oc3ccccc3)c2)c1=O ZINC000071763634 222195825 /nfs/dbraw/zinc/19/58/25/222195825.db2.gz IKDSPMZGYJVJEM-UHFFFAOYSA-N 1 0 392.503 3.447 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000071767726 222196058 /nfs/dbraw/zinc/19/60/58/222196058.db2.gz AVGVSRZOVYTIBP-HNNXBMFYSA-N 1 0 384.549 3.256 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000071767727 222196326 /nfs/dbraw/zinc/19/63/26/222196326.db2.gz AVGVSRZOVYTIBP-OAHLLOKOSA-N 1 0 384.549 3.256 50 0 GGAARO CC(C)(NC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1)c1ccccc1 ZINC000071776043 222197037 /nfs/dbraw/zinc/19/70/37/222197037.db2.gz FHOGKQZVBFHUSO-IBGZPJMESA-N 1 0 397.563 3.151 50 0 GGAARO O=c1n(Cc2nc3ccccc3s2)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071776764 222197491 /nfs/dbraw/zinc/19/74/91/222197491.db2.gz DTUMFPXWQXPYJF-OAHLLOKOSA-N 1 0 391.500 3.159 50 0 GGAARO CCC(CC)NC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000071776469 222198356 /nfs/dbraw/zinc/19/83/56/222198356.db2.gz XFMOMZCTFVHMJC-UHFFFAOYSA-N 1 0 386.584 3.371 50 0 GGAARO COc1ccc(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)cc1 ZINC000072117889 222207271 /nfs/dbraw/zinc/20/72/71/222207271.db2.gz BKPOWFCITPAYKD-UHFFFAOYSA-N 1 0 384.484 3.018 50 0 GGAARO CN(C(=O)COc1ccccc1O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072121105 222207751 /nfs/dbraw/zinc/20/77/51/222207751.db2.gz IOQZQOSUMJDASL-FQEVSTJZSA-N 1 0 382.504 3.327 50 0 GGAARO Clc1ccccc1-c1cc(C2CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)[nH]n1 ZINC000072120936 222207805 /nfs/dbraw/zinc/20/78/05/222207805.db2.gz ACEMXLIYGWTVSV-UHFFFAOYSA-N 1 0 396.926 3.409 50 0 GGAARO Fc1ccc(O[C@H]2CCCN(c3nc(-c4ccncc4)nc4c3C[NH2+]C4)C2)cc1 ZINC000072126442 222208297 /nfs/dbraw/zinc/20/82/97/222208297.db2.gz IUNCQCBYVKJESK-SFHVURJKSA-N 1 0 391.450 3.329 50 0 GGAARO COc1cccc([C@@H]2CN(C(=O)c3cccnc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072128947 222209737 /nfs/dbraw/zinc/20/97/37/222209737.db2.gz MFDFFRPXTRDRDX-BHDDXSALSA-N 1 0 377.488 3.101 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(c3ncnc4[nH]ccc43)C2)CC1 ZINC000072135176 222210035 /nfs/dbraw/zinc/21/00/35/222210035.db2.gz MZUZZFCAUOBHMW-SFHVURJKSA-N 1 0 376.508 3.057 50 0 GGAARO CC(C)[C@@H]1CN(C(=O)CCc2cnn(C)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072135566 222210385 /nfs/dbraw/zinc/21/03/85/222210385.db2.gz OKWPDUWQOXASMX-NRFANRHFSA-N 1 0 386.515 3.251 50 0 GGAARO CC(C)[C@@H]1CN(C(=O)CCc2cnccn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072133601 222210426 /nfs/dbraw/zinc/21/04/26/222210426.db2.gz ZRZYJAVZWLOPBH-NRFANRHFSA-N 1 0 384.499 3.307 50 0 GGAARO CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3CCC(CO)CC3)C2)cc1Cl ZINC000072134656 222210499 /nfs/dbraw/zinc/21/04/99/222210499.db2.gz AEZRBXAXVCVNFX-KRWDZBQOSA-N 1 0 380.916 3.048 50 0 GGAARO Cc1nccn1CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072478639 222266346 /nfs/dbraw/zinc/26/63/46/222266346.db2.gz VNMSRDWYBYFZJY-HSZRJFAPSA-N 1 0 380.536 3.486 50 0 GGAARO CC(C)[C@H]1CN(C(=O)CCc2cnccn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072133602 222211508 /nfs/dbraw/zinc/21/15/08/222211508.db2.gz ZRZYJAVZWLOPBH-OAQYLSRUSA-N 1 0 384.499 3.307 50 0 GGAARO NC(=O)c1cccnc1N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000072153321 222212115 /nfs/dbraw/zinc/21/21/15/222212115.db2.gz PYGZVBXCVHSKFE-HSZRJFAPSA-N 1 0 378.520 3.106 50 0 GGAARO Cc1cccc2cc(C(=O)N3CCC[C@H](N(C)CCC[NH+](C)C)C3)c(C)nc12 ZINC000072153823 222212572 /nfs/dbraw/zinc/21/25/72/222212572.db2.gz OJJOUDOCVVLUPF-FQEVSTJZSA-N 1 0 382.552 3.340 50 0 GGAARO Cc1c2ccccc2[nH]c1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072155005 222212596 /nfs/dbraw/zinc/21/25/96/222212596.db2.gz LVLCKKLWQKWRIO-CTNGQTDRSA-N 1 0 375.472 3.025 50 0 GGAARO CCc1nccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072157886 222212722 /nfs/dbraw/zinc/21/27/22/222212722.db2.gz SUAIYNGURUCBMP-MDNUFGMLSA-N 1 0 378.520 3.110 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3noc(C(C)C)n3)C2)cc1OC ZINC000072154049 222213110 /nfs/dbraw/zinc/21/31/10/222213110.db2.gz OZSMVKAXXLYSTA-KRWDZBQOSA-N 1 0 388.512 3.354 50 0 GGAARO O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCC(Nc2ccccn2)CC1 ZINC000072162390 222214445 /nfs/dbraw/zinc/21/44/45/222214445.db2.gz ADLIHBXQTKFYNB-IBGZPJMESA-N 1 0 378.520 3.340 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCCc2ccccn2)Cc2ccccc2C1 ZINC000072165178 222214555 /nfs/dbraw/zinc/21/45/55/222214555.db2.gz AOTSQBUJBBHQHP-UHFFFAOYSA-N 1 0 399.538 3.452 50 0 GGAARO CCc1ncc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072169977 222214802 /nfs/dbraw/zinc/21/48/02/222214802.db2.gz GVSUWKVPMVPCSH-KSEOMHKRSA-N 1 0 376.504 3.050 50 0 GGAARO Cc1ccnn1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072162986 222215234 /nfs/dbraw/zinc/21/52/34/222215234.db2.gz FLZNQOOPFBVVNH-NRFANRHFSA-N 1 0 386.515 3.480 50 0 GGAARO CC(C)(C)c1ncc2c(n1)CN(C(=O)c1cccc(CC3CC[NH2+]CC3)c1)C2 ZINC000072168880 222215259 /nfs/dbraw/zinc/21/52/59/222215259.db2.gz DKSOWMDZSBUGCJ-UHFFFAOYSA-N 1 0 378.520 3.472 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)CCCn3ccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072170419 222216498 /nfs/dbraw/zinc/21/64/98/222216498.db2.gz PICCDUJGFQMYFU-MDNUFGMLSA-N 1 0 378.520 3.061 50 0 GGAARO CN(Cc1cc[nH]n1)C(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072174058 222216633 /nfs/dbraw/zinc/21/66/33/222216633.db2.gz KNVJIJHVVFSCQI-UHFFFAOYSA-N 1 0 388.515 3.080 50 0 GGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2nc3ccccn3c2F)CC1 ZINC000072478119 222267190 /nfs/dbraw/zinc/26/71/90/222267190.db2.gz WJUUNVQHSZPXQF-UHFFFAOYSA-N 1 0 380.467 3.253 50 0 GGAARO Cc1ncc(-c2ccc(C)c(S(=O)(=O)N[C@H]3CC[C@H]3[NH2+]C3CCCC3)c2)o1 ZINC000072480707 222267374 /nfs/dbraw/zinc/26/73/74/222267374.db2.gz FHKMEGDOGFDWRC-MSOLQXFVSA-N 1 0 389.521 3.300 50 0 GGAARO Clc1ccccc1C1(c2ccnc(NCCn3ccnc3)n2)CC[NH2+]CC1 ZINC000072421991 222256887 /nfs/dbraw/zinc/25/68/87/222256887.db2.gz QAIBZBDOOURIFI-UHFFFAOYSA-N 1 0 382.899 3.108 50 0 GGAARO O=C(c1ccc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)nc1)N1CCOCC1 ZINC000072419064 222257099 /nfs/dbraw/zinc/25/70/99/222257099.db2.gz QIVJAYVFUPOTIB-FQEVSTJZSA-N 1 0 386.540 3.011 50 0 GGAARO CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072422326 222257396 /nfs/dbraw/zinc/25/73/96/222257396.db2.gz IVNYYEWEPGCGDN-NRFANRHFSA-N 1 0 388.552 3.107 50 0 GGAARO c1cn(-c2ccc(-n3cnc4ccccc43)cc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072419511 222258088 /nfs/dbraw/zinc/25/80/88/222258088.db2.gz MTEGDRBTRWTEPQ-UHFFFAOYSA-N 1 0 381.443 3.178 50 0 GGAARO CS(=O)(=O)c1cnc(NCc2cccc3ccccc32)nc1[C@@H]1CCC[NH2+]C1 ZINC000072424792 222258614 /nfs/dbraw/zinc/25/86/14/222258614.db2.gz BXIGDVQBLXEFFP-QGZVFWFLSA-N 1 0 396.516 3.112 50 0 GGAARO CCCc1ncncc1C(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072427923 222258676 /nfs/dbraw/zinc/25/86/76/222258676.db2.gz XJKURQURVWPPQF-LJQANCHMSA-N 1 0 378.520 3.133 50 0 GGAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](C1CSCCSC1)CC2 ZINC000072425940 222259713 /nfs/dbraw/zinc/25/97/13/222259713.db2.gz IEIYWTRBAHRHPC-UHFFFAOYSA-N 1 0 376.591 3.350 50 0 GGAARO Cc1c[nH]c(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)c1=O ZINC000072433610 222260280 /nfs/dbraw/zinc/26/02/80/222260280.db2.gz DKHKGCYJWJZJQS-CEMLEFRQSA-N 1 0 381.495 3.193 50 0 GGAARO Cc1nn(CCO)cc1C[NH+]1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000072431809 222261178 /nfs/dbraw/zinc/26/11/78/222261178.db2.gz KNXTTZRKBVOKNM-UHFFFAOYSA-N 1 0 383.414 3.246 50 0 GGAARO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000072432029 222261587 /nfs/dbraw/zinc/26/15/87/222261587.db2.gz XMPOLJJTPBDDQM-KRWDZBQOSA-N 1 0 380.448 3.200 50 0 GGAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N(C)CC[N@H+]3CCCC[C@@H]3C)c12 ZINC000072435599 222261645 /nfs/dbraw/zinc/26/16/45/222261645.db2.gz QNVPBHUTYSCGQL-HNNXBMFYSA-N 1 0 379.512 3.044 50 0 GGAARO CCOc1ccc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)cc1C(F)(F)F ZINC000072453824 222262817 /nfs/dbraw/zinc/26/28/17/222262817.db2.gz RRCGXCBDUXCAKJ-UHFFFAOYSA-N 1 0 377.370 3.257 50 0 GGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)Cc2cnc3ccccn23)CC1 ZINC000072462750 222263451 /nfs/dbraw/zinc/26/34/51/222263451.db2.gz NLEPVSHHIBNDCW-UHFFFAOYSA-N 1 0 376.504 3.042 50 0 GGAARO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CC[C@H](O)[C@@H](O)C2)cc1 ZINC000072474946 222264454 /nfs/dbraw/zinc/26/44/54/222264454.db2.gz FANXUOOVSBRKAH-SFTDATJTSA-N 1 0 378.472 3.146 50 0 GGAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](CCCO)CC1 ZINC000095519107 222345105 /nfs/dbraw/zinc/34/51/05/222345105.db2.gz SNONYHVDDZLZCH-UHFFFAOYSA-N 1 0 378.476 3.263 50 0 GGAARO CCc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)nc1 ZINC000095516543 222345178 /nfs/dbraw/zinc/34/51/78/222345178.db2.gz KUUVJFFAYANTIH-UHFFFAOYSA-N 1 0 393.535 3.043 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)Cc1cnccn1 ZINC000095497403 222331404 /nfs/dbraw/zinc/33/14/04/222331404.db2.gz GZVBKQFJYMLYPA-UHFFFAOYSA-N 1 0 380.536 3.131 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)COc3ccccc3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095498682 222331921 /nfs/dbraw/zinc/33/19/21/222331921.db2.gz ZZHKGYJQOADXHA-WUMKDDEVSA-N 1 0 392.499 3.168 50 0 GGAARO CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc1 ZINC000095497143 222332395 /nfs/dbraw/zinc/33/23/95/222332395.db2.gz KGNQMYKXYSDGCC-HXUWFJFHSA-N 1 0 382.508 3.057 50 0 GGAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)Cn2ccnc2-c2ccccc2)C1 ZINC000095498276 222332696 /nfs/dbraw/zinc/33/26/96/222332696.db2.gz DJUUFFPHOHMBIE-HXUWFJFHSA-N 1 0 388.515 3.497 50 0 GGAARO O=C(Nc1ccc2ncccc2c1)N1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000095497586 222332725 /nfs/dbraw/zinc/33/27/25/222332725.db2.gz WYGIISQXWNNCHS-UHFFFAOYSA-N 1 0 381.524 3.260 50 0 GGAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000095496823 222333095 /nfs/dbraw/zinc/33/30/95/222333095.db2.gz VESLLYSMUZIMOD-LJQANCHMSA-N 1 0 393.466 3.435 50 0 GGAARO CCCn1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)c(C)n1 ZINC000095500402 222333428 /nfs/dbraw/zinc/33/34/28/222333428.db2.gz LZRMFNVYNBINGX-UHFFFAOYSA-N 1 0 384.572 3.330 50 0 GGAARO O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000095501137 222333536 /nfs/dbraw/zinc/33/35/36/222333536.db2.gz KVUJAFYOMLJHKQ-IBGZPJMESA-N 1 0 379.460 3.122 50 0 GGAARO O[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000095500595 222333812 /nfs/dbraw/zinc/33/38/12/222333812.db2.gz OTCVZBOLBRMQGQ-OAQYLSRUSA-N 1 0 396.922 3.409 50 0 GGAARO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCC(F)(F)CC2)ccc1OC ZINC000095499793 222334559 /nfs/dbraw/zinc/33/45/59/222334559.db2.gz BWSPYEBDTVIUCT-QGZVFWFLSA-N 1 0 386.483 3.008 50 0 GGAARO C[C@H](CNC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)Oc1cccnc1 ZINC000095502014 222334763 /nfs/dbraw/zinc/33/47/63/222334763.db2.gz LTYFZRLLILUHMR-MRXNPFEDSA-N 1 0 384.480 3.144 50 0 GGAARO CCc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cn1 ZINC000095504676 222335189 /nfs/dbraw/zinc/33/51/89/222335189.db2.gz UJQVCDORKFGBJP-SFHVURJKSA-N 1 0 396.535 3.074 50 0 GGAARO CC(=O)N[C@@H]1CC[N@@H+](C2CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC000095503620 222335263 /nfs/dbraw/zinc/33/52/63/222335263.db2.gz QCDTZGNIWIABCQ-CQSZACIVSA-N 1 0 378.929 3.129 50 0 GGAARO C[NH+]1CCC(O)(CNC(=O)C[C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000095503451 222335595 /nfs/dbraw/zinc/33/55/95/222335595.db2.gz INNYCZHCLIXGAY-LJQANCHMSA-N 1 0 386.923 3.435 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2nccn2C)CC1 ZINC000095503907 222335674 /nfs/dbraw/zinc/33/56/74/222335674.db2.gz LUNCUXCRBJRJNK-UHFFFAOYSA-N 1 0 398.551 3.439 50 0 GGAARO COc1cc(CN2CCC(F)(F)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095504591 222336024 /nfs/dbraw/zinc/33/60/24/222336024.db2.gz HDUCKWAYGORIAE-QGZVFWFLSA-N 1 0 386.483 3.006 50 0 GGAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccccc1Cn1cccn1)CC2 ZINC000095502860 222336220 /nfs/dbraw/zinc/33/62/20/222336220.db2.gz QHPQJEKVZCLXQT-UHFFFAOYSA-N 1 0 390.535 3.024 50 0 GGAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)c2cc(C)n(C)c2C)CC1 ZINC000095502728 222336563 /nfs/dbraw/zinc/33/65/63/222336563.db2.gz LGLZINULPYSQMV-UHFFFAOYSA-N 1 0 398.551 3.038 50 0 GGAARO C[C@@H](CO)N(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095503471 222336706 /nfs/dbraw/zinc/33/67/06/222336706.db2.gz FUMGNLRDFAWCLV-IBGZPJMESA-N 1 0 396.531 3.225 50 0 GGAARO CC(C)(CO)NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095503660 222337030 /nfs/dbraw/zinc/33/70/30/222337030.db2.gz OPOJBISGCKHWDN-UHFFFAOYSA-N 1 0 396.531 3.273 50 0 GGAARO CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)cc1 ZINC000095503906 222337162 /nfs/dbraw/zinc/33/71/62/222337162.db2.gz QDMWYBLRSOUWPQ-RBUKOAKNSA-N 1 0 383.492 3.313 50 0 GGAARO O=C(C1CC1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095505315 222337643 /nfs/dbraw/zinc/33/76/43/222337643.db2.gz VVMKZFPBNBJTRY-QHCPKHFHSA-N 1 0 382.548 3.283 50 0 GGAARO C[NH+](C)Cc1ccc(CSCCNC(=O)[C@@H]2CCOc3ccccc3C2)o1 ZINC000095506256 222337969 /nfs/dbraw/zinc/33/79/69/222337969.db2.gz BORQBYNJFWJSJH-QGZVFWFLSA-N 1 0 388.533 3.332 50 0 GGAARO NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000095506654 222338104 /nfs/dbraw/zinc/33/81/04/222338104.db2.gz HFSPFIMHVFHYKA-UHFFFAOYSA-N 1 0 390.487 3.361 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ncc[nH]2)CC1 ZINC000095507141 222338293 /nfs/dbraw/zinc/33/82/93/222338293.db2.gz SRGOHGKAMQVNGM-NRFANRHFSA-N 1 0 396.535 3.252 50 0 GGAARO C[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc(Cc4ccccc4)c3)C2)CC1 ZINC000095506558 222338688 /nfs/dbraw/zinc/33/86/88/222338688.db2.gz AANCCIGYNWNIJV-JOCHJYFZSA-N 1 0 378.520 3.131 50 0 GGAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(OCc2cccs2)cc1 ZINC000095507026 222339264 /nfs/dbraw/zinc/33/92/64/222339264.db2.gz VDWRNEQDDFVMMC-ROUUACIJSA-N 1 0 375.494 3.168 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)Nc1ccccc1-n1cccn1 ZINC000095506760 222339329 /nfs/dbraw/zinc/33/93/29/222339329.db2.gz OLDKDSGPCKCYHP-QGZVFWFLSA-N 1 0 379.464 3.499 50 0 GGAARO Cc1ncc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(C)n1 ZINC000095507504 222339732 /nfs/dbraw/zinc/33/97/32/222339732.db2.gz ZMKKRVMOUAWDCI-LJQANCHMSA-N 1 0 384.499 3.259 50 0 GGAARO C[C@@H](CO)NC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000095509043 222340151 /nfs/dbraw/zinc/34/01/51/222340151.db2.gz SHQJMPWYBJIWDI-AWEZNQCLSA-N 1 0 382.932 3.340 50 0 GGAARO O[C@H](COc1ccccc1CN1CCOC2(CCCC2)C1)C[NH+]1CCCCC1 ZINC000095508706 222340340 /nfs/dbraw/zinc/34/03/40/222340340.db2.gz UNQFDXGNAXOPOW-NRFANRHFSA-N 1 0 388.552 3.057 50 0 GGAARO CCC1=NO[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)C1 ZINC000095508943 222341103 /nfs/dbraw/zinc/34/11/03/222341103.db2.gz WUQRFGSOEVXYTJ-HXUWFJFHSA-N 1 0 381.480 3.078 50 0 GGAARO CC(=O)c1ccccc1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095511055 222341597 /nfs/dbraw/zinc/34/15/97/222341597.db2.gz VGVGFDBOLBQHTC-SFHVURJKSA-N 1 0 382.508 3.057 50 0 GGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)c(OC)c1)CC2 ZINC000095511571 222341602 /nfs/dbraw/zinc/34/16/02/222341602.db2.gz ILABEUPJADEENA-UHFFFAOYSA-N 1 0 382.508 3.126 50 0 GGAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](CCCO)CC2)c(Cl)c1 ZINC000095511715 222341740 /nfs/dbraw/zinc/34/17/40/222341740.db2.gz MCUUPSSVHSPMJR-UHFFFAOYSA-N 1 0 380.916 3.238 50 0 GGAARO COc1ccc2c(c1)OC[C@H](C[NH2+]C1CCN(C(=O)c3ccccc3)CC1)C2 ZINC000095512928 222342235 /nfs/dbraw/zinc/34/22/35/222342235.db2.gz BAIMXCUHUFZAJX-KRWDZBQOSA-N 1 0 380.488 3.141 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnc(C)nc1 ZINC000095512998 222342651 /nfs/dbraw/zinc/34/26/51/222342651.db2.gz FEOFXWRJQLDUAE-FQEVSTJZSA-N 1 0 396.535 3.210 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@@H](C)O)CC1 ZINC000095511457 222342682 /nfs/dbraw/zinc/34/26/82/222342682.db2.gz FOQLUORRXVTJLV-LJQANCHMSA-N 1 0 381.520 3.012 50 0 GGAARO CC(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095511056 222342754 /nfs/dbraw/zinc/34/27/54/222342754.db2.gz VGVGFDBOLBQHTC-GOSISDBHSA-N 1 0 382.508 3.057 50 0 GGAARO C[C@H](NC(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1)c1nncn1C ZINC000095511214 222343175 /nfs/dbraw/zinc/34/31/75/222343175.db2.gz GPULFVLPJQCYAE-INIZCTEOSA-N 1 0 399.539 3.195 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000076989284 222273079 /nfs/dbraw/zinc/27/30/79/222273079.db2.gz LEOVAPLASLXKKE-NRFANRHFSA-N 1 0 394.563 3.060 50 0 GGAARO Cn1cc([C@H](CNC(=O)c2cc(-c3ccco3)on2)[NH+](C)C)c2ccccc21 ZINC000077171652 222273593 /nfs/dbraw/zinc/27/35/93/222273593.db2.gz HRMNYKWPMWCAMV-SFHVURJKSA-N 1 0 378.432 3.459 50 0 GGAARO Cn1cc([C@@H](CNC(=O)c2ccc3nsnc3c2)[NH+](C)C)c2ccccc21 ZINC000077171655 222273793 /nfs/dbraw/zinc/27/37/93/222273793.db2.gz MCCBHNPMMYHBPI-LJQANCHMSA-N 1 0 379.489 3.216 50 0 GGAARO Cn1cc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+](C)C)c2ccccc21 ZINC000077171659 222274000 /nfs/dbraw/zinc/27/40/00/222274000.db2.gz BSJSOQVXASUXLC-LJQANCHMSA-N 1 0 389.455 3.317 50 0 GGAARO Cn1cc([C@H](CNC(=O)c2ccc3nsnc3c2)[NH+](C)C)c2ccccc21 ZINC000077171656 222274028 /nfs/dbraw/zinc/27/40/28/222274028.db2.gz MCCBHNPMMYHBPI-IBGZPJMESA-N 1 0 379.489 3.216 50 0 GGAARO Cn1cc([C@H](CNS(=O)(=O)Cc2cccc(F)c2)[NH+](C)C)c2ccccc21 ZINC000077171690 222274596 /nfs/dbraw/zinc/27/45/96/222274596.db2.gz BNVBQZWAIKUCTJ-FQEVSTJZSA-N 1 0 389.496 3.040 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)Cc3c(F)cccc3Cl)cc2C1 ZINC000077379001 222279692 /nfs/dbraw/zinc/27/96/92/222279692.db2.gz YOTPDTJKIAEFJL-UHFFFAOYSA-N 1 0 378.879 3.006 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)C[C@H]2CCO)c(C)c1C ZINC000077370117 222279730 /nfs/dbraw/zinc/27/97/30/222279730.db2.gz NJZABGNKNMIMQF-JOCHJYFZSA-N 1 0 383.536 3.084 50 0 GGAARO O=c1c2c3c(sc2ncn1Cc1cnc(-c2ccccc2)s1)C[NH2+]CC3 ZINC000077379165 222280077 /nfs/dbraw/zinc/28/00/77/222280077.db2.gz QXVGEERPSGTIJV-UHFFFAOYSA-N 1 0 380.498 3.276 50 0 GGAARO C[C@@H](C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077340801 222280098 /nfs/dbraw/zinc/28/00/98/222280098.db2.gz FARHWUZPAINVCH-HNNXBMFYSA-N 1 0 383.458 3.194 50 0 GGAARO O=C(c1cccc(-n2cccn2)c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000077438778 222280616 /nfs/dbraw/zinc/28/06/16/222280616.db2.gz KYYIUGHKBQKSFN-QFIPXVFZSA-N 1 0 386.499 3.188 50 0 GGAARO O=C1CC[C@]2(CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CN1CCO ZINC000077420821 222281872 /nfs/dbraw/zinc/28/18/72/222281872.db2.gz WHYUCEWKNBGQBO-NRFANRHFSA-N 1 0 385.533 3.007 50 0 GGAARO [NH3+]CC(=O)Nc1nn(-c2cccc(F)c2)c2cccc(Oc3cccnc3)c12 ZINC000077425437 222281971 /nfs/dbraw/zinc/28/19/71/222281971.db2.gz CYENBWNICFPSGF-UHFFFAOYSA-N 1 0 377.379 3.249 50 0 GGAARO CCCn1c2ccc(C(=O)N3CC[NH2+]CC3)cc2nc1NCc1cccc(C)c1 ZINC000077453317 222282841 /nfs/dbraw/zinc/28/28/41/222282841.db2.gz SHVBQDBTERUQMY-UHFFFAOYSA-N 1 0 391.519 3.412 50 0 GGAARO CCCc1ncc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](NC(=O)C3CC3)C2)cn1 ZINC000077452323 222282992 /nfs/dbraw/zinc/28/29/92/222282992.db2.gz BQRCEDDRPBCBBI-LEWJYISDSA-N 1 0 378.520 3.232 50 0 GGAARO COc1ccc2n[nH]c(C[N@@H+]3CCC[C@]4(CCC(=O)N(CC5CC5)C4)C3)c2c1 ZINC000077457334 222283545 /nfs/dbraw/zinc/28/35/45/222283545.db2.gz NHLNGMQHJZCOKZ-QFIPXVFZSA-N 1 0 382.508 3.186 50 0 GGAARO Cc1[nH]c2c(c1C(=O)N1C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C1)C(=O)CCC2 ZINC000077524480 222284486 /nfs/dbraw/zinc/28/44/86/222284486.db2.gz VIIDYAPHGNEUMA-PKOBYXMFSA-N 1 0 379.504 3.320 50 0 GGAARO Cn1ccnc1[C@H](NC(=O)Nc1ccccc1OC1CC[NH+](C)CC1)C1CC1 ZINC000095516611 222343881 /nfs/dbraw/zinc/34/38/81/222343881.db2.gz XVRUCQFBXQRJFV-LJQANCHMSA-N 1 0 383.496 3.166 50 0 GGAARO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000079192833 222305034 /nfs/dbraw/zinc/30/50/34/222305034.db2.gz MYALQMOYCATWOP-WMQCIHAUSA-N 1 0 383.536 3.048 50 0 biogenic GGAARO CC(=O)c1ccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)cc1 ZINC000079473849 222305721 /nfs/dbraw/zinc/30/57/21/222305721.db2.gz MTLJBSPDQRICAS-UHFFFAOYSA-N 1 0 398.459 3.236 50 0 GGAARO CCC1(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082092316 222308162 /nfs/dbraw/zinc/30/81/62/222308162.db2.gz FMTBLFFCQDHIQP-HXUWFJFHSA-N 1 0 384.568 3.064 50 0 GGAARO CCc1nc(C)c(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)o1 ZINC000082107940 222308535 /nfs/dbraw/zinc/30/85/35/222308535.db2.gz XGQPWSKVGVEUQM-UHFFFAOYSA-N 1 0 385.512 3.210 50 0 GGAARO Cn1c(CC2CC[NH2+]CC2)nnc1SCc1cc2c(cc1Cl)OCO2 ZINC000082115850 222308783 /nfs/dbraw/zinc/30/87/83/222308783.db2.gz QROPAZNTXFEKMB-UHFFFAOYSA-N 1 0 380.901 3.032 50 0 GGAARO O=C(NCC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082087707 222308973 /nfs/dbraw/zinc/30/89/73/222308973.db2.gz DURSMJIPSSMSEB-JOCHJYFZSA-N 1 0 398.595 3.455 50 0 GGAARO CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082107994 222309218 /nfs/dbraw/zinc/30/92/18/222309218.db2.gz XJABQJZRWVQPJA-NRFANRHFSA-N 1 0 384.568 3.017 50 0 GGAARO O=C(NCCC1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082107764 222309245 /nfs/dbraw/zinc/30/92/45/222309245.db2.gz PJVLFAPBKMWLCT-JOCHJYFZSA-N 1 0 398.595 3.455 50 0 GGAARO Cc1cccc(-c2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)[nH]2)c1 ZINC000082096819 222309387 /nfs/dbraw/zinc/30/93/87/222309387.db2.gz PCCIJCGGBMJSSB-UHFFFAOYSA-N 1 0 380.492 3.248 50 0 GGAARO COc1cccc(-c2ncc(C[NH+]3CCC(Cc4nncn4C)CC3)s2)c1 ZINC000082134436 222309826 /nfs/dbraw/zinc/30/98/26/222309826.db2.gz UKPXLKMLJALAIV-UHFFFAOYSA-N 1 0 383.521 3.402 50 0 GGAARO COCCNC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095517476 222344632 /nfs/dbraw/zinc/34/46/32/222344632.db2.gz RRPGSEADIMUWBF-HXUWFJFHSA-N 1 0 388.556 3.284 50 0 GGAARO Nc1ncccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000082146942 222310541 /nfs/dbraw/zinc/31/05/41/222310541.db2.gz VPWZARQKVIZEGQ-HSZRJFAPSA-N 1 0 378.520 3.111 50 0 GGAARO O=C(c1ncc[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095517761 222344740 /nfs/dbraw/zinc/34/47/40/222344740.db2.gz OTJBVYYGTSJDAU-LJQANCHMSA-N 1 0 381.524 3.492 50 0 GGAARO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000084699901 222320516 /nfs/dbraw/zinc/32/05/16/222320516.db2.gz BXIHDSGTNAGLAG-LRSLUSHPSA-N 1 0 393.616 3.091 50 0 GGAARO Cn1ccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4Cc3cscn3)cc21 ZINC000095520428 222346299 /nfs/dbraw/zinc/34/62/99/222346299.db2.gz QQDNIAMITVWWFS-PKOBYXMFSA-N 1 0 380.517 3.258 50 0 GGAARO Cc1c(F)cccc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095520684 222346517 /nfs/dbraw/zinc/34/65/17/222346517.db2.gz ICSXIULXUOSFKH-UHFFFAOYSA-N 1 0 382.483 3.143 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 ZINC000095519452 222347325 /nfs/dbraw/zinc/34/73/25/222347325.db2.gz MQEQIWXIOVUZFK-HXUWFJFHSA-N 1 0 391.519 3.403 50 0 GGAARO COc1ccc(CN(C)Cc2ccoc2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095522669 222348276 /nfs/dbraw/zinc/34/82/76/222348276.db2.gz ZJBSHNPJCQLMPD-HXUWFJFHSA-N 1 0 388.508 3.146 50 0 GGAARO COc1ccc(-c2ccccc2NC(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000095524943 222348410 /nfs/dbraw/zinc/34/84/10/222348410.db2.gz FQAYTAJVSHICRC-GOSISDBHSA-N 1 0 383.492 3.331 50 0 GGAARO C[N@H+](C[C@H](O)COc1ccccc1CN1CCOC(C)(C)C1)C1CCCCC1 ZINC000095524642 222348766 /nfs/dbraw/zinc/34/87/66/222348766.db2.gz RSBUCAVPTOYTJR-NRFANRHFSA-N 1 0 390.568 3.302 50 0 GGAARO Cc1cc2occ(CC(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)c2c(C)c1 ZINC000095524925 222349273 /nfs/dbraw/zinc/34/92/73/222349273.db2.gz NXILIYQLBHDTMP-UHFFFAOYSA-N 1 0 392.503 3.321 50 0 GGAARO COc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)ccn1 ZINC000095524237 222349358 /nfs/dbraw/zinc/34/93/58/222349358.db2.gz FYAVRIJYVXWDRH-PZJWPPBQSA-N 1 0 379.504 3.259 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1F ZINC000095526899 222349813 /nfs/dbraw/zinc/34/98/13/222349813.db2.gz HTTZDZJWTPRLBC-UHFFFAOYSA-N 1 0 382.483 3.143 50 0 GGAARO CSc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1 ZINC000095527697 222350328 /nfs/dbraw/zinc/35/03/28/222350328.db2.gz JYRZMJYQWHKLFT-UHFFFAOYSA-N 1 0 396.560 3.418 50 0 GGAARO Cc1c[nH]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)c(C)c1=O ZINC000095527618 222350892 /nfs/dbraw/zinc/35/08/92/222350892.db2.gz WYPZULVZGAWKIM-GHTZIAJQSA-N 1 0 377.532 3.055 50 0 GGAARO C[C@H](O)CN(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095527791 222351137 /nfs/dbraw/zinc/35/11/37/222351137.db2.gz UXGJOTHFHOOJDQ-IBGZPJMESA-N 1 0 396.531 3.225 50 0 GGAARO COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cc1 ZINC000095528045 222351159 /nfs/dbraw/zinc/35/11/59/222351159.db2.gz AVNDMZDFOKSMEG-PXODQFSGSA-N 1 0 377.488 3.226 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)Cc3cnc4c(C)cccn34)C[C@H]2[NH+](C)C)cc1 ZINC000095527522 222351342 /nfs/dbraw/zinc/35/13/42/222351342.db2.gz DRLQNPNNNVETRE-LEWJYISDSA-N 1 0 376.504 3.050 50 0 GGAARO Cc1ccc([C@@H]2CN(S(=O)(=O)c3cc(C)ccc3F)C[C@H]2[NH+](C)C)cc1 ZINC000095529740 222352639 /nfs/dbraw/zinc/35/26/39/222352639.db2.gz LTOLKWFLBSJMRV-PKOBYXMFSA-N 1 0 376.497 3.161 50 0 GGAARO O=C(Nc1cccc2c[nH]nc21)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000095529959 222352656 /nfs/dbraw/zinc/35/26/56/222352656.db2.gz FQOQXHZJBYLDCY-LJQANCHMSA-N 1 0 375.476 3.270 50 0 GGAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc[nH]c1C ZINC000095531323 222353366 /nfs/dbraw/zinc/35/33/66/222353366.db2.gz FHUWEKJLKJSHEI-IBGZPJMESA-N 1 0 395.547 3.291 50 0 GGAARO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000095530894 222353379 /nfs/dbraw/zinc/35/33/79/222353379.db2.gz WCSJALOKRLYTNV-FQEVSTJZSA-N 1 0 394.515 3.496 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)CCc3[nH]nc4c3CCCC4)CC2)o1 ZINC000095529859 222353704 /nfs/dbraw/zinc/35/37/04/222353704.db2.gz YHRLDNGVBPGBLR-UHFFFAOYSA-N 1 0 398.551 3.493 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000095531508 222355573 /nfs/dbraw/zinc/35/55/73/222355573.db2.gz BXLFHBLBYQWBLJ-LJQANCHMSA-N 1 0 380.536 3.273 50 0 GGAARO Cc1nc(-n2cccc2)cc(NCCNC(=O)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000096024991 222373080 /nfs/dbraw/zinc/37/30/80/222373080.db2.gz NSIQOVOKUBYVAB-UHFFFAOYSA-N 1 0 389.381 3.436 50 0 GGAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000096133273 222385299 /nfs/dbraw/zinc/38/52/99/222385299.db2.gz UKGRGMSBZGBPAJ-KRWDZBQOSA-N 1 0 378.476 3.167 50 0 GGAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000096133274 222385855 /nfs/dbraw/zinc/38/58/55/222385855.db2.gz UKGRGMSBZGBPAJ-QGZVFWFLSA-N 1 0 378.476 3.167 50 0 GGAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)Nc1cccc(-c2ccco2)c1 ZINC000096136901 222385913 /nfs/dbraw/zinc/38/59/13/222385913.db2.gz AGPAZEGYVCZZMN-GOSISDBHSA-N 1 0 384.480 3.011 50 0 GGAARO CN1CC2(CC[NH+](Cc3cccc4nonc43)CC2)C[C@@H](c2ccccc2)C1=O ZINC000096136337 222386548 /nfs/dbraw/zinc/38/65/48/222386548.db2.gz MUDINWFROGJQPA-IBGZPJMESA-N 1 0 390.487 3.451 50 0 GGAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](CCCC(F)(F)F)CC1 ZINC000096133729 222386671 /nfs/dbraw/zinc/38/66/71/222386671.db2.gz YQQBCRMCCXEGAJ-UHFFFAOYSA-N 1 0 384.450 3.373 50 0 GGAARO COc1ccc(C[NH+]2CCC(c3nnc(CN4CCCCC4)n3C)CC2)cc1 ZINC000096142119 222388058 /nfs/dbraw/zinc/38/80/58/222388058.db2.gz PUACBMSKWBOHLO-UHFFFAOYSA-N 1 0 383.540 3.189 50 0 GGAARO COc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)ccn1 ZINC000096148317 222389974 /nfs/dbraw/zinc/38/99/74/222389974.db2.gz IBHGCGLVOCTXHO-HXUWFJFHSA-N 1 0 379.504 3.432 50 0 GGAARO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n(-c2cc(C)c3ccccc3n2)n1 ZINC000096148725 222390321 /nfs/dbraw/zinc/39/03/21/222390321.db2.gz NIQNFTGBNOLCPL-INIZCTEOSA-N 1 0 378.480 3.205 50 0 GGAARO O=C(Nc1cccc(-n2cncn2)c1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000096150302 222390911 /nfs/dbraw/zinc/39/09/11/222390911.db2.gz RQFDUTVMFNXNMS-MRXNPFEDSA-N 1 0 382.493 3.115 50 0 GGAARO CCc1ccc(C[NH+]2CCC(c3nnc(CN4CCCCC4)n3C)CC2)nc1 ZINC000096152751 222391066 /nfs/dbraw/zinc/39/10/66/222391066.db2.gz QNBDNPKSRXAWEB-UHFFFAOYSA-N 1 0 382.556 3.138 50 0 GGAARO C[NH+]1CCC(Cc2nc(COC[C@@H]3CCCO3)n(C3CCCCC3)n2)CC1 ZINC000096152223 222391278 /nfs/dbraw/zinc/39/12/78/222391278.db2.gz WNYDEXGJQFHXPZ-IBGZPJMESA-N 1 0 376.545 3.363 50 0 GGAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000096151559 222391735 /nfs/dbraw/zinc/39/17/35/222391735.db2.gz FHZAIJDCGVKKPF-UHFFFAOYSA-N 1 0 380.496 3.152 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCCNC(C)=O)CC2)C1 ZINC000096162250 222392942 /nfs/dbraw/zinc/39/29/42/222392942.db2.gz ILYATQKFGRYJKS-NRFANRHFSA-N 1 0 385.552 3.021 50 0 GGAARO CC[N@H+](C)C1(CNC(=O)Nc2ccc(OC)c(NC(C)=O)c2)CCCCC1 ZINC000096166132 222394566 /nfs/dbraw/zinc/39/45/66/222394566.db2.gz ZDPWFGRIBANYEZ-UHFFFAOYSA-N 1 0 376.501 3.430 50 0 GGAARO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000096166492 222394834 /nfs/dbraw/zinc/39/48/34/222394834.db2.gz NHWDYVVFLBENGC-AWEZNQCLSA-N 1 0 389.393 3.155 50 0 GGAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2cccc(N3CCCC3)c2C)CC1 ZINC000096165691 222394884 /nfs/dbraw/zinc/39/48/84/222394884.db2.gz JCVSBMFKUAGPNC-UHFFFAOYSA-N 1 0 388.556 3.417 50 0 GGAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000096180780 222396395 /nfs/dbraw/zinc/39/63/95/222396395.db2.gz AIGOIIUNWQPVFY-UHFFFAOYSA-N 1 0 376.464 3.186 50 0 GGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](Cc2scnc2C)CC3)c1 ZINC000095520390 222345799 /nfs/dbraw/zinc/34/57/99/222345799.db2.gz IBYZGQMTMYQRMQ-UHFFFAOYSA-N 1 0 385.533 3.475 50 0 GGAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000095520554 222346046 /nfs/dbraw/zinc/34/60/46/222346046.db2.gz GIYVEHWHVOJERO-KRWDZBQOSA-N 1 0 386.467 3.141 50 0 GGAARO Cc1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)c(C)c1=O ZINC000426510857 533980848 /nfs/dbraw/zinc/98/08/48/533980848.db2.gz PRURDAJJFWVDQO-QHCPKHFHSA-N 1 0 397.494 3.146 50 0 GGAARO Cc1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)c(C)c1=O ZINC000426510856 533980914 /nfs/dbraw/zinc/98/09/14/533980914.db2.gz PRURDAJJFWVDQO-HSZRJFAPSA-N 1 0 397.494 3.146 50 0 GGAARO COc1ccccc1N1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1=O ZINC000426677486 534135103 /nfs/dbraw/zinc/13/51/03/534135103.db2.gz NLBZDWNZXLNSSW-UHFFFAOYSA-N 1 0 385.533 3.201 50 0 GGAARO COC(=O)c1cccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC000426740678 534263079 /nfs/dbraw/zinc/26/30/79/534263079.db2.gz YKMRRDLSWJKTNH-HXUWFJFHSA-N 1 0 378.472 3.112 50 0 GGAARO Cc1ccn2c(c1)nc(C(=O)N1CCC([N@@H+]3CCc4ccccc4C3)CC1)c2F ZINC000426505591 534348984 /nfs/dbraw/zinc/34/89/84/534348984.db2.gz AKJBXGHBZJOTGF-UHFFFAOYSA-N 1 0 392.478 3.445 50 0 GGAARO Cc1noc(CN(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000426472558 534406702 /nfs/dbraw/zinc/40/67/02/534406702.db2.gz AQAUWLCLIWLUFY-INIZCTEOSA-N 1 0 377.876 3.010 50 0 GGAARO O=C(NCCc1ccc(Cl)cc1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000426376573 534448707 /nfs/dbraw/zinc/44/87/07/534448707.db2.gz UZUGAYSJOQKVRQ-IBGZPJMESA-N 1 0 379.932 3.169 50 0 GGAARO Cc1nc2cc(-c3ccc(C(=O)N4CCO[C@H](CC[NH3+])C4)cc3)ccc2s1 ZINC000426544889 534638016 /nfs/dbraw/zinc/63/80/16/534638016.db2.gz CIRORGDKFTXGNE-GOSISDBHSA-N 1 0 381.501 3.462 50 0 GGAARO C[N@H+](CCCn1cccn1)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCC3)c1 ZINC000023153275 522799357 /nfs/dbraw/zinc/79/93/57/522799357.db2.gz VNFJRYKGFBMVGS-UHFFFAOYSA-N 1 0 377.492 3.034 50 0 GGAARO O=C(c1ccc(-c2ccc3c(c2)CC(=O)N3)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000426479179 534679787 /nfs/dbraw/zinc/67/97/87/534679787.db2.gz ZLGXEQOMGVARIM-UHFFFAOYSA-N 1 0 375.472 3.159 50 0 GGAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000426739707 534686826 /nfs/dbraw/zinc/68/68/26/534686826.db2.gz JHBFVBJWYWRJOE-FQEVSTJZSA-N 1 0 390.535 3.339 50 0 GGAARO O=C(c1ccccc1-c1nc[nH]n1)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000426488153 534746757 /nfs/dbraw/zinc/74/67/57/534746757.db2.gz GGNNVRFIXCTFTF-JOCHJYFZSA-N 1 0 379.508 3.200 50 0 GGAARO CC(C)(C)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426433674 526302379 /nfs/dbraw/zinc/30/23/79/526302379.db2.gz PHMKFSCBPMRCIQ-XMMPIXPASA-N 1 0 399.579 3.239 50 0 GGAARO OCC[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCN1Cc1ccc(F)cc1 ZINC000023153323 527572841 /nfs/dbraw/zinc/57/28/41/527572841.db2.gz WDEGQUHHNDVIRT-QFIPXVFZSA-N 1 0 379.479 3.443 50 0 GGAARO CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]2CCC[N@@H+]2[C@@]12c1ccccc1NC2=O ZINC000225370547 527915249 /nfs/dbraw/zinc/91/52/49/527915249.db2.gz ULFMCIGWGKGASG-UGTOYMOASA-N 1 0 376.456 3.275 50 0 GGAARO CC(C)C[N@@H+]1CCCC[C@@H]1CCNC(=O)N(C)Cc1noc(C2CCC2)n1 ZINC000426647036 527963894 /nfs/dbraw/zinc/96/38/94/527963894.db2.gz IOBAHXMQQLMRDZ-QGZVFWFLSA-N 1 0 377.533 3.379 50 0 GGAARO CC(C)C[N@@H+]1CCCC[C@H]1CCNC(=O)N(C)Cc1[nH]nc2c1CCCC2 ZINC000426661183 527967509 /nfs/dbraw/zinc/96/75/09/527967509.db2.gz GFMWDVIWZWAHTI-KRWDZBQOSA-N 1 0 375.561 3.331 50 0 GGAARO CC(C)COc1ccccc1CN(C)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426435469 528180196 /nfs/dbraw/zinc/18/01/96/528180196.db2.gz YTRZJVFKOXFKTQ-GOSISDBHSA-N 1 0 384.524 3.044 50 0 GGAARO CCCc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)o1 ZINC000091877265 528619854 /nfs/dbraw/zinc/61/98/54/528619854.db2.gz WVUGURZCCXLKCE-UHFFFAOYSA-N 1 0 382.508 3.241 50 0 GGAARO CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)C[NH2+]C ZINC000426359815 528875744 /nfs/dbraw/zinc/87/57/44/528875744.db2.gz NDJSIOGZHOYZNN-OAQYLSRUSA-N 1 0 379.504 3.307 50 0 GGAARO CCN(Cc1noc(C2CCC2)n1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000426602585 528894513 /nfs/dbraw/zinc/89/45/13/528894513.db2.gz YWFAYRYGEVJLBL-INIZCTEOSA-N 1 0 387.484 3.299 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccccc2C(=O)N(C)C)cc1 ZINC000426388069 529081024 /nfs/dbraw/zinc/08/10/24/529081024.db2.gz WOAIVKKOKXVKQI-LJQANCHMSA-N 1 0 379.504 3.270 50 0 GGAARO CCC[NH+]1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 ZINC000072478369 534927066 /nfs/dbraw/zinc/92/70/66/534927066.db2.gz AXZHNJQYWBLZQQ-OAQYLSRUSA-N 1 0 382.552 3.032 50 0 GGAARO CCC[C@@H]1C[N@@H+](C2CCN(c3ncc4ccc(F)cc4n3)CC2)C[C@H]1N(C)C ZINC000095528125 535435573 /nfs/dbraw/zinc/43/55/73/535435573.db2.gz PRTDERZIEMPCNY-DYESRHJHSA-N 1 0 385.531 3.400 50 0 GGAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@@H](OCc3cccnc3)C2)CC1 ZINC000095528782 535444362 /nfs/dbraw/zinc/44/43/62/535444362.db2.gz VITHUBPRCZQEHG-JOCHJYFZSA-N 1 0 395.551 3.474 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(c2ncccc2Cl)CC1 ZINC000096179928 535559528 /nfs/dbraw/zinc/55/95/28/535559528.db2.gz BZAGDEASNZTASD-QGZVFWFLSA-N 1 0 378.948 3.332 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(c2ccc(Cl)cn2)CC1 ZINC000096130620 535599246 /nfs/dbraw/zinc/59/92/46/535599246.db2.gz GYJMTFDIAAPQSN-SFHVURJKSA-N 1 0 378.948 3.332 50 0 GGAARO CN(C)C(=O)N1CCCC[C@@H]([NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000082157505 536078924 /nfs/dbraw/zinc/07/89/24/536078924.db2.gz WUONMGDUSMZRNW-OAQYLSRUSA-N 1 0 384.568 3.270 50 0 GGAARO CCc1cc(N2CCC([NH+]3CCC(F)(F)CC3)CC2)nc(N2CCCC2)n1 ZINC000095531642 536144335 /nfs/dbraw/zinc/14/43/35/536144335.db2.gz IWYNRTPFAKOIKH-UHFFFAOYSA-N 1 0 379.499 3.339 50 0 GGAARO CCc1cc(N2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)nc(C)n1 ZINC000095501607 536144682 /nfs/dbraw/zinc/14/46/82/536144682.db2.gz DWMUVVHHBDYYAK-UHFFFAOYSA-N 1 0 379.552 3.134 50 0 GGAARO COC[C@@H]([NH2+]C1CCN(c2ncnc3sc(C)cc32)CC1)c1ccccn1 ZINC000096150174 536717429 /nfs/dbraw/zinc/71/74/29/536717429.db2.gz AXIAGAFCKYKMTQ-GOSISDBHSA-N 1 0 383.521 3.341 50 0 GGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000067675916 537070597 /nfs/dbraw/zinc/07/05/97/537070597.db2.gz XDWATMRGXYAGDI-JOCHJYFZSA-N 1 0 391.559 3.449 50 0 GGAARO CC[NH+]1CCN(c2nc(SC)nc3sc4c(c32)CC(C)(C)OC4)CC1 ZINC000002433505 564187698 /nfs/dbraw/zinc/18/76/98/564187698.db2.gz BITRJGQDEGQXLN-UHFFFAOYSA-N 1 0 378.567 3.406 50 0 GGAARO C[NH+]1CCC(NC(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)CC1 ZINC000002793983 564190375 /nfs/dbraw/zinc/19/03/75/564190375.db2.gz NFCOFSBLHNPFGU-UHFFFAOYSA-N 1 0 383.279 3.050 50 0 GGAARO S=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002805471 564190530 /nfs/dbraw/zinc/19/05/30/564190530.db2.gz XWYIVCPSIZABQS-KRWDZBQOSA-N 1 0 375.929 3.062 50 0 GGAARO C[NH+]1CCC(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)CC1 ZINC000002794231 564190835 /nfs/dbraw/zinc/19/08/35/564190835.db2.gz VMHDPEKMEMWNBW-UHFFFAOYSA-N 1 0 383.279 3.050 50 0 GGAARO COc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccccc1F ZINC000002861298 564191390 /nfs/dbraw/zinc/19/13/90/564191390.db2.gz VKDRDMMIJBVHAB-UHFFFAOYSA-N 1 0 384.245 3.258 50 0 GGAARO C[C@H](CNC(=O)COc1ccc2ccccc2c1Br)C[NH+](C)C ZINC000002862560 564191696 /nfs/dbraw/zinc/19/16/96/564191696.db2.gz PUEINPOLZLXAKG-CYBMUJFWSA-N 1 0 379.298 3.295 50 0 GGAARO CC1CC[NH+](CCOCCOc2ccc(I)cc2)CC1 ZINC000002953168 564192097 /nfs/dbraw/zinc/19/20/97/564192097.db2.gz NHRQJKOLTFZUGF-UHFFFAOYSA-N 1 0 389.277 3.419 50 0 GGAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000004744861 564206327 /nfs/dbraw/zinc/20/63/27/564206327.db2.gz VTKBRGQVSXSKDN-CQSZACIVSA-N 1 0 381.314 3.292 50 0 GGAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@H](O)COc1ccccc1Br ZINC000004993841 564210651 /nfs/dbraw/zinc/21/06/51/564210651.db2.gz LTXJXWCHJOTTMR-AWEZNQCLSA-N 1 0 386.330 3.203 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000005205760 564213838 /nfs/dbraw/zinc/21/38/38/564213838.db2.gz KQNJPGMGNICVHH-UHFFFAOYSA-N 1 0 394.298 3.115 50 0 GGAARO CCCSc1nc2c3c(sc2c(N2CC[NH2+]CC2)n1)CC(C)(C)OC3 ZINC000006759439 564227403 /nfs/dbraw/zinc/22/74/03/564227403.db2.gz WFPLNBPVAPNIQG-UHFFFAOYSA-N 1 0 378.567 3.454 50 0 GGAARO C[C@@H]1CCCc2sc3nc(SCC[NH+]4CCCCC4)n(N)c(=O)c3c21 ZINC000019797061 564304494 /nfs/dbraw/zinc/30/44/94/564304494.db2.gz KIWDIUKTFZNCME-GFCCVEGCSA-N 1 0 378.567 3.190 50 0 GGAARO Clc1cc(Br)ccc1OCCCC[NH2+]CCN1CCOCC1 ZINC000020500205 564306209 /nfs/dbraw/zinc/30/62/09/564306209.db2.gz YRRVXSXYASQJOA-UHFFFAOYSA-N 1 0 391.737 3.183 50 0 GGAARO Brc1c(OCCC[NH2+]CCN2CCOCC2)ccc2ccccc21 ZINC000020482366 564306363 /nfs/dbraw/zinc/30/63/63/564306363.db2.gz HVFDVRQFXRJNPP-UHFFFAOYSA-N 1 0 393.325 3.293 50 0 GGAARO Cc1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)s1 ZINC000021695919 564311714 /nfs/dbraw/zinc/31/17/14/564311714.db2.gz MKYIKQKEMUUFCI-KRWDZBQOSA-N 1 0 377.535 3.129 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccsc2)CC1 ZINC000022765518 564319268 /nfs/dbraw/zinc/31/92/68/564319268.db2.gz SQLUUXTVYDBHTO-INIZCTEOSA-N 1 0 381.904 3.259 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022765462 564319513 /nfs/dbraw/zinc/31/95/13/564319513.db2.gz AYMGFTIVOLJVGR-GOSISDBHSA-N 1 0 377.941 3.049 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022765458 564319560 /nfs/dbraw/zinc/31/95/60/564319560.db2.gz AYMGFTIVOLJVGR-SFHVURJKSA-N 1 0 377.941 3.049 50 0 GGAARO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090609029 564870481 /nfs/dbraw/zinc/87/04/81/564870481.db2.gz UABADSZVESQNRX-ZDUSSCGKSA-N 1 0 392.949 3.071 50 0 GGAARO Oc1cccc([C@@H]2C[N@@H+](C3CSCCSC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095360457 564898518 /nfs/dbraw/zinc/89/85/18/564898518.db2.gz WDCQDOJZBBMHIH-XUVXKRRUSA-N 1 0 376.591 3.103 50 0 GGAARO Cc1nnc(SCCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)s1 ZINC000095374874 564898585 /nfs/dbraw/zinc/89/85/85/564898585.db2.gz VBXIXQFQPIWWJD-INIZCTEOSA-N 1 0 376.551 3.226 50 0 GGAARO Cc1nnc(SCCCNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)s1 ZINC000215577582 565896174 /nfs/dbraw/zinc/89/61/74/565896174.db2.gz YWXPMDDEUIBUPC-MRXNPFEDSA-N 1 0 376.551 3.226 50 0 GGAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)c1cc(C(F)(F)F)ccc1Cl ZINC000670453303 566362224 /nfs/dbraw/zinc/36/22/24/566362224.db2.gz NGFBBRKHBIYGSZ-CYBMUJFWSA-N 1 0 378.822 3.326 50 0 GGAARO CCOCc1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000019720485 570211257 /nfs/dbraw/zinc/21/12/57/570211257.db2.gz XUJWLKCSGHPFKE-QHCPKHFHSA-N 1 0 398.547 3.301 50 0 GGAARO COc1ccc(C[N@H+]2CCN(Cc3ccccc3OC)C[C@@H]2CCO)c(C)c1C ZINC000019720544 570211292 /nfs/dbraw/zinc/21/12/92/570211292.db2.gz DEHWMLLFQYODNZ-QFIPXVFZSA-N 1 0 398.547 3.389 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2nccs2)C[C@@H]1CCO ZINC000019740675 570212053 /nfs/dbraw/zinc/21/20/53/570212053.db2.gz FDLHFPUUEZQNSP-FQEVSTJZSA-N 1 0 396.560 3.311 50 0 GGAARO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3cccc(C)n3)C1)CC2 ZINC000019761720 570216718 /nfs/dbraw/zinc/21/67/18/570216718.db2.gz AUFRPHWSXIVTRM-OAQYLSRUSA-N 1 0 381.520 3.430 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cccc(-n3nc(C)cc3C)c2)C[C@@H]1CCO ZINC000019770258 570217671 /nfs/dbraw/zinc/21/76/71/570217671.db2.gz GBQOWJQINDRMKP-QHCPKHFHSA-N 1 0 382.552 3.324 50 0 GGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2ccsc2)[C@@H](CCO)C1 ZINC000019770688 570217825 /nfs/dbraw/zinc/21/78/25/570217825.db2.gz HBZBOVGZCXIWSU-QFIPXVFZSA-N 1 0 396.560 3.311 50 0 GGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000019770838 570218027 /nfs/dbraw/zinc/21/80/27/570218027.db2.gz XLCUZBWPAQPECZ-KRWDZBQOSA-N 1 0 393.491 3.037 50 0 GGAARO c1csc(-c2noc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000019771312 570218043 /nfs/dbraw/zinc/21/80/43/570218043.db2.gz UZUSLPQFKWPGMU-SFHVURJKSA-N 1 0 380.517 3.473 50 0 GGAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000019789818 570218973 /nfs/dbraw/zinc/21/89/73/570218973.db2.gz KCPKVPRGUWFJGU-XMMPIXPASA-N 1 0 379.548 3.224 50 0 GGAARO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019790347 570218984 /nfs/dbraw/zinc/21/89/84/570218984.db2.gz GUYQLGJNJTVZQJ-FQEVSTJZSA-N 1 0 378.875 3.179 50 0 GGAARO Fc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc5nonc54)C3)CC2)cc1 ZINC000019792689 570219464 /nfs/dbraw/zinc/21/94/64/570219464.db2.gz SPIIWFJWBKDDJK-FQEVSTJZSA-N 1 0 395.482 3.149 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1Cc1cccs1 ZINC000019794551 570219892 /nfs/dbraw/zinc/21/98/92/570219892.db2.gz IAXLMQHSGGUOHK-SFHVURJKSA-N 1 0 382.533 3.003 50 0 GGAARO CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000019809414 570221225 /nfs/dbraw/zinc/22/12/25/570221225.db2.gz ALITXXRUOKOALF-OAQYLSRUSA-N 1 0 399.535 3.058 50 0 GGAARO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019834671 570223814 /nfs/dbraw/zinc/22/38/14/570223814.db2.gz AUFBUFJSMWPMLU-MRXNPFEDSA-N 1 0 397.466 3.376 50 0 GGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000019839018 570224252 /nfs/dbraw/zinc/22/42/52/570224252.db2.gz RLPASNBTCCRIKJ-HSZRJFAPSA-N 1 0 392.547 3.355 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c(OC)c1 ZINC000019839508 570224296 /nfs/dbraw/zinc/22/42/96/570224296.db2.gz NEABBSCGAQOUCJ-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000019839020 570224331 /nfs/dbraw/zinc/22/43/31/570224331.db2.gz RLPASNBTCCRIKJ-QHCPKHFHSA-N 1 0 392.547 3.355 50 0 GGAARO O[C@@H](COc1ccc2ccccc2c1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019848477 570225151 /nfs/dbraw/zinc/22/51/51/570225151.db2.gz BMPFNRPQIZBOTI-HSZRJFAPSA-N 1 0 376.500 3.397 50 0 GGAARO O[C@H](COc1ccc2ccccc2c1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019848479 570225319 /nfs/dbraw/zinc/22/53/19/570225319.db2.gz BMPFNRPQIZBOTI-QHCPKHFHSA-N 1 0 376.500 3.397 50 0 GGAARO Cc1nc2sccn2c1CN1CC[N@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000019867003 570226727 /nfs/dbraw/zinc/22/67/27/570226727.db2.gz NJZUTEDHFQSJDH-FQEVSTJZSA-N 1 0 398.576 3.206 50 0 GGAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000019889689 570227880 /nfs/dbraw/zinc/22/78/80/570227880.db2.gz HVSAHSXQBNIYSP-KRWDZBQOSA-N 1 0 393.270 3.466 50 0 GGAARO COc1cc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1O ZINC000019900008 570228627 /nfs/dbraw/zinc/22/86/27/570228627.db2.gz FPSITHGDVCVKRU-UHFFFAOYSA-N 1 0 386.536 3.352 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2F)c2ccc(Cl)cc2)CC1 ZINC000019902124 570228805 /nfs/dbraw/zinc/22/88/05/570228805.db2.gz LBHFHTDJFMYFDE-LJQANCHMSA-N 1 0 375.875 3.198 50 0 GGAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000096319055 570228800 /nfs/dbraw/zinc/22/88/00/570228800.db2.gz YTNXCRLQDGIVCC-IBGZPJMESA-N 1 0 378.480 3.029 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000019902236 570229006 /nfs/dbraw/zinc/22/90/06/570229006.db2.gz NZAVRMOVUNCFQX-IBGZPJMESA-N 1 0 375.875 3.198 50 0 GGAARO C[NH2+]Cc1cn(C2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)nn1 ZINC000019939164 570232421 /nfs/dbraw/zinc/23/24/21/570232421.db2.gz PBZISSXPLLDKBK-UHFFFAOYSA-N 1 0 375.476 3.142 50 0 GGAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097259268 570240109 /nfs/dbraw/zinc/24/01/09/570240109.db2.gz QAUMCNWPKZCBIE-UHFFFAOYSA-N 1 0 375.513 3.198 50 0 GGAARO Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H](CO)C2)c2cc(Cl)ccc2n1 ZINC000097347576 570242951 /nfs/dbraw/zinc/24/29/51/570242951.db2.gz PDPKUKNFRJDWOZ-OAHLLOKOSA-N 1 0 375.900 3.021 50 0 GGAARO O=C(CCc1cn2ccccc2n1)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097436763 570243794 /nfs/dbraw/zinc/24/37/94/570243794.db2.gz YYPPBIYUQPPTLF-FQEVSTJZSA-N 1 0 377.492 3.005 50 0 GGAARO COc1ccc2c(cc(C(=O)N[C@@H](C)C[N@@H+]3CCc4ccccc4C3)n2C)c1 ZINC000097468525 570244422 /nfs/dbraw/zinc/24/44/22/570244422.db2.gz XENLDTFQTAECJR-INIZCTEOSA-N 1 0 377.488 3.364 50 0 GGAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cnc(Nc2ccccc2)nc1 ZINC000097474904 570244627 /nfs/dbraw/zinc/24/46/27/570244627.db2.gz MAVWOQAGXWVNNG-UHFFFAOYSA-N 1 0 388.475 3.010 50 0 GGAARO Cc1cnc2c(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCCC3)cnn2c1 ZINC000097527840 570245768 /nfs/dbraw/zinc/24/57/68/570245768.db2.gz CUEHIGWKOSZNAU-FQEVSTJZSA-N 1 0 377.492 3.385 50 0 GGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2cccs2)[C@@H](CCO)C1 ZINC000020204063 570247462 /nfs/dbraw/zinc/24/74/62/570247462.db2.gz FUTFDOCOXRDNIR-NRFANRHFSA-N 1 0 396.560 3.311 50 0 GGAARO COc1ccc(/C=C/CN2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020202722 570247479 /nfs/dbraw/zinc/24/74/79/570247479.db2.gz OQELFHNJNSQVFS-LHXJMTLCSA-N 1 0 396.531 3.286 50 0 GGAARO CNC(=O)Cc1ccc(NC(=O)NC2(C[NH+]3CCCCC3)CCCCC2)cc1 ZINC000097602219 570247672 /nfs/dbraw/zinc/24/76/72/570247672.db2.gz VZHOSBYYDLPHBN-UHFFFAOYSA-N 1 0 386.540 3.285 50 0 GGAARO CCN1CCN(C(=O)CCC2CC[NH+](C/C=C/c3ccccc3OC)CC2)CC1 ZINC000020212536 570248688 /nfs/dbraw/zinc/24/86/88/570248688.db2.gz VOLNIKMGASSCEU-SOFGYWHQSA-N 1 0 399.579 3.365 50 0 GGAARO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1c[nH]nc1-c1ccccc1 ZINC000097698767 570249739 /nfs/dbraw/zinc/24/97/39/570249739.db2.gz TXVQKBVBAPVMDT-HXUWFJFHSA-N 1 0 375.476 3.429 50 0 GGAARO O=C(COc1ccccc1)N1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000001154709 570249966 /nfs/dbraw/zinc/24/99/66/570249966.db2.gz LDOBYUDYZWKIBY-UHFFFAOYSA-N 1 0 397.494 3.018 50 0 GGAARO Cc1cc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc(C)c1O ZINC000020256878 570250068 /nfs/dbraw/zinc/25/00/68/570250068.db2.gz WVYKJFXJFVUENG-IBGZPJMESA-N 1 0 390.474 3.356 50 0 GGAARO CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)C[C@H]1CCCC[N@@H+]1C ZINC000020256824 570250312 /nfs/dbraw/zinc/25/03/12/570250312.db2.gz QOKZDOIUPDKVSR-GOSISDBHSA-N 1 0 385.556 3.123 50 0 GGAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](CC(C)(C)CO)CC3)cc2)n1 ZINC000020326545 570252206 /nfs/dbraw/zinc/25/22/06/570252206.db2.gz BYJKWLFXEQCPCB-UHFFFAOYSA-N 1 0 384.524 3.158 50 0 GGAARO Cc1ccc(OCC(=O)N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000001164876 570252381 /nfs/dbraw/zinc/25/23/81/570252381.db2.gz BIMHRLJLOBTCJN-UHFFFAOYSA-N 1 0 393.531 3.187 50 0 GGAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)CC1 ZINC000020385428 570253923 /nfs/dbraw/zinc/25/39/23/570253923.db2.gz UDINBMFMNDCRSG-GOSISDBHSA-N 1 0 395.482 3.149 50 0 GGAARO CC(C)=CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(C)n1)CC2 ZINC000097775597 570255097 /nfs/dbraw/zinc/25/50/97/570255097.db2.gz HWXRJYSLXQQNCO-UHFFFAOYSA-N 1 0 379.508 3.069 50 0 GGAARO COc1ccc(CN2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)c(F)c1 ZINC000104296770 570256518 /nfs/dbraw/zinc/25/65/18/570256518.db2.gz DDEOPYFQUYGOJE-LJQANCHMSA-N 1 0 376.447 3.042 50 0 GGAARO CC(=O)Nc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc1 ZINC000104310540 570256598 /nfs/dbraw/zinc/25/65/98/570256598.db2.gz YCUDBWCXPLYGTP-HSZRJFAPSA-N 1 0 381.520 3.022 50 0 GGAARO COc1cc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)cc(Cl)c1OC ZINC000104366614 570257014 /nfs/dbraw/zinc/25/70/14/570257014.db2.gz JZEVVYVAIVYFNQ-QGZVFWFLSA-N 1 0 384.948 3.272 50 0 GGAARO CCn1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c(C)n1 ZINC000020451642 570257372 /nfs/dbraw/zinc/25/73/72/570257372.db2.gz MAAPUPYRXDUPSU-FQEVSTJZSA-N 1 0 385.531 3.137 50 0 GGAARO Cn1cc(CN2CC[NH+](C3CCCCC3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020451455 570257484 /nfs/dbraw/zinc/25/74/84/570257484.db2.gz PMMMBMQONNSAAX-UHFFFAOYSA-N 1 0 396.535 3.309 50 0 GGAARO OCC[C@H]1C[N@H+](Cc2cccc3ncccc23)CCN1Cc1ccc(F)cc1 ZINC000020452974 570257830 /nfs/dbraw/zinc/25/78/30/570257830.db2.gz KIJIOHRLEOWHFY-NRFANRHFSA-N 1 0 379.479 3.443 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)c(Cl)c1OC ZINC000104394092 570257817 /nfs/dbraw/zinc/25/78/17/570257817.db2.gz BZRTWOGGYFAFOS-QGZVFWFLSA-N 1 0 384.948 3.272 50 0 GGAARO c1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000020453636 570258125 /nfs/dbraw/zinc/25/81/25/570258125.db2.gz YMJYIRXHOMIVRZ-HXUWFJFHSA-N 1 0 393.560 3.478 50 0 GGAARO CCOc1ccc(CN2CCN(Cc3cc(C(C)C)n[nH]3)C[C@H]2CCO)cc1 ZINC000104448343 570258340 /nfs/dbraw/zinc/25/83/40/570258340.db2.gz TXAPWBXSCCCENM-HXUWFJFHSA-N 1 0 386.540 3.001 50 0 GGAARO COc1ccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c(F)c1 ZINC000104423028 570258365 /nfs/dbraw/zinc/25/83/65/570258365.db2.gz GODZKQRMRYBSFY-LJQANCHMSA-N 1 0 394.437 3.181 50 0 GGAARO COc1ccccc1/C=C/CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000020455262 570258607 /nfs/dbraw/zinc/25/86/07/570258607.db2.gz XKEAQMDRQXDRJN-PDGUBNMISA-N 1 0 397.563 3.163 50 0 GGAARO Cc1c2ccccc2[nH]c1CN1CCN(Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000104458087 570258666 /nfs/dbraw/zinc/25/86/66/570258666.db2.gz LEHLBDNKHAKNPY-HXUWFJFHSA-N 1 0 378.520 3.249 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3ccc4ncccc4c3)C[C@H]2CCO)c1 ZINC000104463741 570259038 /nfs/dbraw/zinc/25/90/38/570259038.db2.gz SFBRRCXVCODPRZ-JOCHJYFZSA-N 1 0 391.515 3.312 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1CCO ZINC000104507229 570259431 /nfs/dbraw/zinc/25/94/31/570259431.db2.gz MVYZKBFSMFAECS-OAQYLSRUSA-N 1 0 388.943 3.361 50 0 GGAARO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000104535648 570260148 /nfs/dbraw/zinc/26/01/48/570260148.db2.gz VHOSGTUZGACBBH-OAQYLSRUSA-N 1 0 384.520 3.163 50 0 GGAARO OCC[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1cccs1 ZINC000020481646 570261522 /nfs/dbraw/zinc/26/15/22/570261522.db2.gz HHPAVXBSVSUXSF-FQEVSTJZSA-N 1 0 382.533 3.003 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000583652799 570262608 /nfs/dbraw/zinc/26/26/08/570262608.db2.gz WTNPVRFIJAZJAH-UNMCSNQZSA-N 1 0 388.552 3.367 50 0 biogenic GGAARO Cc1cc(C)n(C[C@H](C)[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)n1 ZINC000020516092 570265079 /nfs/dbraw/zinc/26/50/79/570265079.db2.gz UWVIDTRVSQVPCQ-KRWDZBQOSA-N 1 0 386.544 3.407 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2F)C1=O ZINC000020533429 570265377 /nfs/dbraw/zinc/26/53/77/570265377.db2.gz IDLMHKLJRPUPLV-DAMBIUFKSA-N 1 0 393.462 3.428 50 0 GGAARO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc[nH]n4)C3)CC2)c1 ZINC000020534374 570265675 /nfs/dbraw/zinc/26/56/75/570265675.db2.gz NPLRJHFGRYPEQI-LJQANCHMSA-N 1 0 393.457 3.215 50 0 GGAARO OCC[C@H]1C[N@H+](Cc2cccc3cccnc32)CCN1Cc1ccc(F)cc1 ZINC000020534779 570265683 /nfs/dbraw/zinc/26/56/83/570265683.db2.gz KNIUFGIPIXAUPE-QFIPXVFZSA-N 1 0 379.479 3.443 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CCO)c(F)c1 ZINC000020534853 570265730 /nfs/dbraw/zinc/26/57/30/570265730.db2.gz RPJVKEPYIFHZLM-NRFANRHFSA-N 1 0 386.511 3.336 50 0 GGAARO CCN(CC)c1ccc(-c2noc(CN3CC[NH+](C4CCCCC4)CC3)n2)cn1 ZINC000049409714 570265765 /nfs/dbraw/zinc/26/57/65/570265765.db2.gz VARMKLXWYVWXHQ-UHFFFAOYSA-N 1 0 398.555 3.428 50 0 GGAARO OCC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCN1Cc1ccc(F)cc1 ZINC000020534777 570265785 /nfs/dbraw/zinc/26/57/85/570265785.db2.gz KNIUFGIPIXAUPE-JOCHJYFZSA-N 1 0 379.479 3.443 50 0 GGAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1Cc1cccs1 ZINC000020534457 570265867 /nfs/dbraw/zinc/26/58/67/570265867.db2.gz AJKNTCSFFAZSBR-LJQANCHMSA-N 1 0 382.533 3.207 50 0 GGAARO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)CC1 ZINC000020542541 570267084 /nfs/dbraw/zinc/26/70/84/570267084.db2.gz MJBQJTSNRVZNBB-FQEVSTJZSA-N 1 0 391.519 3.318 50 0 GGAARO O[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000020542428 570267105 /nfs/dbraw/zinc/26/71/05/570267105.db2.gz ISJGTAIXFQMCFC-WOJBJXKFSA-N 1 0 376.928 3.427 50 0 GGAARO CC(C)(C[NH2+][C@@H]1CCCN(c2nc3ccccc3s2)C1)CN1CCOCC1 ZINC000020542569 570267307 /nfs/dbraw/zinc/26/73/07/570267307.db2.gz SLOLBYUIQPSPHX-QGZVFWFLSA-N 1 0 388.581 3.213 50 0 GGAARO Cc1cn2c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)csc2n1 ZINC000049422460 570267584 /nfs/dbraw/zinc/26/75/84/570267584.db2.gz OBWQJFODDJOQAR-UHFFFAOYSA-N 1 0 382.533 3.418 50 0 GGAARO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000020598605 570269534 /nfs/dbraw/zinc/26/95/34/570269534.db2.gz USXPQIABTMHANO-INIZCTEOSA-N 1 0 393.491 3.037 50 0 GGAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCN1CC[C@@H](c2ccccc2)C1 ZINC000020600932 570270068 /nfs/dbraw/zinc/27/00/68/570270068.db2.gz KAMDEQTVMJMVRN-LJQANCHMSA-N 1 0 390.487 3.385 50 0 GGAARO Cc1cc(C)c(CNC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000584901222 570270760 /nfs/dbraw/zinc/27/07/60/570270760.db2.gz SHPUKYMPSVQRHC-JOCHJYFZSA-N 1 0 378.520 3.083 50 0 GGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)NCc2cncn2C2CC2)CC1 ZINC000584901570 570271057 /nfs/dbraw/zinc/27/10/57/570271057.db2.gz STKPRRYCHXQPHI-UHFFFAOYSA-N 1 0 381.524 3.067 50 0 GGAARO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000584901471 570271085 /nfs/dbraw/zinc/27/10/85/570271085.db2.gz XNFCFRYLAOMYKN-HXUWFJFHSA-N 1 0 375.488 3.031 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 ZINC000584903560 570274020 /nfs/dbraw/zinc/27/40/20/570274020.db2.gz FVPUFDYGMOEPNI-SFHVURJKSA-N 1 0 398.507 3.140 50 0 GGAARO CN1CCN(C(=O)CCCc2cn(C[NH+]3CCCCC3)c3ccccc23)CC1 ZINC000020663614 570274445 /nfs/dbraw/zinc/27/44/45/570274445.db2.gz VDDRTGJJWMAAQQ-UHFFFAOYSA-N 1 0 382.552 3.181 50 0 GGAARO C[N@@H+]1CC[C@@H](NC(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)C1 ZINC000584903675 570274505 /nfs/dbraw/zinc/27/45/05/570274505.db2.gz ZOCVQUXBLJYKTN-LJQANCHMSA-N 1 0 377.492 3.021 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN1CCn2c3ccc(NC(=O)CC(C)C)cc3nc2C1 ZINC000020678095 570275019 /nfs/dbraw/zinc/27/50/19/570275019.db2.gz VBUVYDNALFOKGK-SFHVURJKSA-N 1 0 383.540 3.321 50 0 GGAARO C[NH+](C)CCC[NH2+][C@@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000020677124 570275039 /nfs/dbraw/zinc/27/50/39/570275039.db2.gz ILWVYSYHTQBPIL-OAQYLSRUSA-N 1 0 381.476 3.414 50 0 GGAARO Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000020707009 570275215 /nfs/dbraw/zinc/27/52/15/570275215.db2.gz WGWKTAFFMWNYEU-UHFFFAOYSA-N 1 0 397.910 3.226 50 0 GGAARO Cc1ccc2c(CN3CC[NH+](CCc4ccccn4)CC3)cc(=O)oc2c1C ZINC000020725710 570276788 /nfs/dbraw/zinc/27/67/88/570276788.db2.gz IWGRHHNAIVLJOY-UHFFFAOYSA-N 1 0 377.488 3.165 50 0 GGAARO OCC[C@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1Cc1cccs1 ZINC000020777554 570279847 /nfs/dbraw/zinc/27/98/47/570279847.db2.gz BGQLVCYKFTZFLA-FQEVSTJZSA-N 1 0 382.533 3.003 50 0 GGAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020778705 570280097 /nfs/dbraw/zinc/28/00/97/570280097.db2.gz MNRSATCGFNNSKA-QHCPKHFHSA-N 1 0 390.531 3.250 50 0 GGAARO OCC1CCN([C@H]2CCC[N@@H+](C3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000020785022 570280472 /nfs/dbraw/zinc/28/04/72/570280472.db2.gz XDSZCPJAZFTUDJ-QFIPXVFZSA-N 1 0 391.987 3.478 50 0 GGAARO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000101016241 570280544 /nfs/dbraw/zinc/28/05/44/570280544.db2.gz KKQWOVHLTBOBKH-TZIWHRDSSA-N 1 0 383.879 3.011 50 0 GGAARO OCC[C@H]1CN(Cc2ccc3cc(F)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000020786031 570280642 /nfs/dbraw/zinc/28/06/42/570280642.db2.gz GRJSSLHGUQIAOT-QFIPXVFZSA-N 1 0 379.479 3.443 50 0 GGAARO COc1ccc(Cc2noc(-c3ccc(OC[C@@]4(C)CCC[NH2+]C4)nc3)n2)cc1 ZINC000020865724 570282675 /nfs/dbraw/zinc/28/26/75/570282675.db2.gz LDJKLIQTHCVOJD-QFIPXVFZSA-N 1 0 394.475 3.500 50 0 GGAARO O=C(c1cccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1)N1CCOCC1 ZINC000020864563 570282761 /nfs/dbraw/zinc/28/27/61/570282761.db2.gz XUAIEXTXCVJWBZ-LJQANCHMSA-N 1 0 384.520 3.359 50 0 GGAARO Fc1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCN(c5ccccc5)CC4)C3)nc2c1 ZINC000020905471 570283735 /nfs/dbraw/zinc/28/37/35/570283735.db2.gz QICNJFGOGDKNPL-HXUWFJFHSA-N 1 0 393.510 3.489 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c(Cl)c1OC ZINC000020909841 570284084 /nfs/dbraw/zinc/28/40/84/570284084.db2.gz BZRTWOGGYFAFOS-KRWDZBQOSA-N 1 0 384.948 3.272 50 0 GGAARO OCC[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1F ZINC000020997081 570286653 /nfs/dbraw/zinc/28/66/53/570286653.db2.gz YCXIXIQILLOCGE-JOCHJYFZSA-N 1 0 394.494 3.080 50 0 GGAARO OCC[C@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1F ZINC000020997083 570286826 /nfs/dbraw/zinc/28/68/26/570286826.db2.gz YCXIXIQILLOCGE-QFIPXVFZSA-N 1 0 394.494 3.080 50 0 GGAARO Cn1cnnc1Sc1ccc(C[N@H+](C)Cc2ccccc2-n2cccn2)o1 ZINC000215266191 570286987 /nfs/dbraw/zinc/28/69/87/570286987.db2.gz YVTYFXZIVXZIHM-UHFFFAOYSA-N 1 0 380.477 3.377 50 0 GGAARO O=C(Nc1ccc2n[nH]cc2c1)c1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c1 ZINC000102146496 570287580 /nfs/dbraw/zinc/28/75/80/570287580.db2.gz VQGRAKSFQOMZLM-PMOLBWCYSA-N 1 0 376.460 3.303 50 0 GGAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002503080 570288973 /nfs/dbraw/zinc/28/89/73/570288973.db2.gz ZNFDOSVGDOKDEL-UHFFFAOYSA-N 1 0 377.444 3.312 50 0 GGAARO COc1cccc(CN(Cc2cccnc2)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1OC ZINC000215596534 570290125 /nfs/dbraw/zinc/29/01/25/570290125.db2.gz JKIIQDVKKFYOOF-MJGOQNOKSA-N 1 0 383.492 3.145 50 0 GGAARO C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000215831225 570292120 /nfs/dbraw/zinc/29/21/20/570292120.db2.gz KAIBUFNFJKRDJQ-SFHVURJKSA-N 1 0 383.458 3.224 50 0 GGAARO C[N@@H+]1CC[C@H](C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C1 ZINC000215855314 570292434 /nfs/dbraw/zinc/29/24/34/570292434.db2.gz UXZZKFBGPYMQNV-IBGZPJMESA-N 1 0 378.516 3.113 50 0 GGAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000004825298 570292867 /nfs/dbraw/zinc/29/28/67/570292867.db2.gz YGHYIUOLPVWVIE-UHFFFAOYSA-N 1 0 377.444 3.341 50 0 GGAARO Cc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c2cc(Cl)ccc2n1 ZINC000215920590 570293291 /nfs/dbraw/zinc/29/32/91/570293291.db2.gz HUVIKSNPRSGJGV-UHFFFAOYSA-N 1 0 375.900 3.379 50 0 GGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)cc1 ZINC000216071825 570295517 /nfs/dbraw/zinc/29/55/17/570295517.db2.gz WSXSUSYJVSECKQ-FQEVSTJZSA-N 1 0 393.535 3.367 50 0 GGAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021795153 570296438 /nfs/dbraw/zinc/29/64/38/570296438.db2.gz HTHCGMDMMATZDF-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4ccccc4O)nn3cnc21 ZINC000021801864 570296796 /nfs/dbraw/zinc/29/67/96/570296796.db2.gz FFUVEMHVEXDEHK-UHFFFAOYSA-N 1 0 378.480 3.410 50 0 GGAARO Cc1cc(C)cc(C2(CNC(=O)c3cn(C[C@H]4CCC[NH2+]C4)nn3)CCCC2)c1 ZINC000216441168 570301796 /nfs/dbraw/zinc/30/17/96/570301796.db2.gz MIUMJFDHPJDVHV-IBGZPJMESA-N 1 0 395.551 3.136 50 0 GGAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000022023164 570302251 /nfs/dbraw/zinc/30/22/51/570302251.db2.gz ZRRSAAOMHVTFBV-KGLIPLIRSA-N 1 0 382.847 3.227 50 0 GGAARO CN1CC[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@]12CCNC(=O)CC2 ZINC000107412882 570309408 /nfs/dbraw/zinc/30/94/08/570309408.db2.gz KCFGGCDZSPNODE-HSZRJFAPSA-N 1 0 377.488 3.372 50 0 GGAARO COc1ccc(-n2nnnc2C(C)(C)[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000575443708 570314700 /nfs/dbraw/zinc/31/47/00/570314700.db2.gz IVGBTAIYELOKHN-UHFFFAOYSA-N 1 0 376.464 3.220 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)CN1C1Cc2ccccc2C1 ZINC000023362124 570322087 /nfs/dbraw/zinc/32/20/87/570322087.db2.gz NLJLWVMCVUPBFL-NOZRDPDXSA-N 1 0 399.538 3.286 50 0 GGAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000023846114 570333131 /nfs/dbraw/zinc/33/31/31/570333131.db2.gz XXNLSVGTTLPGOI-HSZRJFAPSA-N 1 0 390.531 3.480 50 0 GGAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCN1CCCCC1 ZINC000022914219 570334726 /nfs/dbraw/zinc/33/47/26/570334726.db2.gz SYTPHCWRZVYNAE-UHFFFAOYSA-N 1 0 397.567 3.234 50 0 GGAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1CCO ZINC000022919679 570335448 /nfs/dbraw/zinc/33/54/48/570335448.db2.gz YHVBISUWFMHAMX-FQEVSTJZSA-N 1 0 390.959 3.440 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3nccs3)C[C@@H]2CCO)cc1 ZINC000022932871 570337848 /nfs/dbraw/zinc/33/78/48/570337848.db2.gz ZPLZCDCUJLVZAX-FQEVSTJZSA-N 1 0 396.560 3.311 50 0 GGAARO CCc1ccc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000023127131 570345162 /nfs/dbraw/zinc/34/51/62/570345162.db2.gz ZCSWBPBKDNBKQC-AEFFLSMTSA-N 1 0 376.456 3.136 50 0 GGAARO OCC[C@@H]1C[N@H+](Cc2cccc3cnccc32)CCN1Cc1ccccc1F ZINC000023128582 570345321 /nfs/dbraw/zinc/34/53/21/570345321.db2.gz DDBWWHGSQPRSAI-OAQYLSRUSA-N 1 0 379.479 3.443 50 0 GGAARO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1C1CCCC1 ZINC000023146129 570346998 /nfs/dbraw/zinc/34/69/98/570346998.db2.gz IJYVOONOXRMBLR-FQEVSTJZSA-N 1 0 376.928 3.427 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1cc2c(c(OC)c1)OCO2)Cc1ccccn1 ZINC000023247777 570352389 /nfs/dbraw/zinc/35/23/89/570352389.db2.gz CLUVZHNXRZWSES-LJQANCHMSA-N 1 0 383.492 3.305 50 0 GGAARO CCOc1cccc(C[NH2+]CCN2CCOCC2)c1OCc1cccs1 ZINC000023288731 570354163 /nfs/dbraw/zinc/35/41/63/570354163.db2.gz HGTRJUCXWXCYOW-UHFFFAOYSA-N 1 0 376.522 3.148 50 0 GGAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+][C@@H](C)Cc1cccnc1 ZINC000023338134 570354823 /nfs/dbraw/zinc/35/48/23/570354823.db2.gz CLMCPVOGKDMLQZ-KRWDZBQOSA-N 1 0 379.508 3.322 50 0 GGAARO C[C@H]1CCCN(C(=O)c2cccc(OC3CC[NH+](C4CCN(C)CC4)CC3)c2)C1 ZINC000023338201 570354966 /nfs/dbraw/zinc/35/49/66/570354966.db2.gz QKMOKKUSOWYASM-IBGZPJMESA-N 1 0 399.579 3.496 50 0 GGAARO C[C@@H]1CCCN(C(=O)c2cccc(OC3CC[NH+](C4CCN(C)CC4)CC3)c2)C1 ZINC000023338199 570355003 /nfs/dbraw/zinc/35/50/03/570355003.db2.gz QKMOKKUSOWYASM-LJQANCHMSA-N 1 0 399.579 3.496 50 0 GGAARO CCn1nc(C)c(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000023358416 570356232 /nfs/dbraw/zinc/35/62/32/570356232.db2.gz QQNVOGBMYOEPIJ-QFIPXVFZSA-N 1 0 384.568 3.021 50 0 GGAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000023373956 570357855 /nfs/dbraw/zinc/35/78/55/570357855.db2.gz JQTFGZCMSKUKAD-NRFANRHFSA-N 1 0 375.520 3.406 50 0 GGAARO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000023373712 570357899 /nfs/dbraw/zinc/35/78/99/570357899.db2.gz VHOSGTUZGACBBH-NRFANRHFSA-N 1 0 384.520 3.163 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000023374978 570358236 /nfs/dbraw/zinc/35/82/36/570358236.db2.gz OFRVICKXDDDWTB-QHCPKHFHSA-N 1 0 390.531 3.250 50 0 GGAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000023374945 570358405 /nfs/dbraw/zinc/35/84/05/570358405.db2.gz KRDNKEQXJDRMJE-GECPCNCSSA-N 1 0 375.488 3.077 50 0 GGAARO Cc1nc2ccccc2n1[C@H]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)C1 ZINC000575616965 570359501 /nfs/dbraw/zinc/35/95/01/570359501.db2.gz LPTJIMUUSFKERF-HOCLYGCPSA-N 1 0 393.443 3.314 50 0 GGAARO CCC([NH3+])(CC)c1cn(C[C@@H]2CCCN(C(=O)Nc3ccsc3)C2)nn1 ZINC000023398559 570361048 /nfs/dbraw/zinc/36/10/48/570361048.db2.gz KQCDWKHLEZHLKY-CQSZACIVSA-N 1 0 376.530 3.258 50 0 GGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1nc(-c2cccnc2)no1 ZINC000604405524 570361709 /nfs/dbraw/zinc/36/17/09/570361709.db2.gz PIZMLHXPEGJFQK-RBUKOAKNSA-N 1 0 397.523 3.177 50 0 biogenic GGAARO NC(=O)c1ccc([C@H]2CCCN2C(=O)CCC[NH+]2Cc3ccccc3C2)s1 ZINC000023430346 570362534 /nfs/dbraw/zinc/36/25/34/570362534.db2.gz BEDOYBUMBNHCIX-QGZVFWFLSA-N 1 0 383.517 3.307 50 0 GGAARO CCOC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004195663 570362667 /nfs/dbraw/zinc/36/26/67/570362667.db2.gz IZXVKZHCBULOQX-FQEVSTJZSA-N 1 0 385.508 3.397 50 0 GGAARO CCOC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004195662 570362680 /nfs/dbraw/zinc/36/26/80/570362680.db2.gz IZXVKZHCBULOQX-HXUWFJFHSA-N 1 0 385.508 3.397 50 0 GGAARO C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2[NH2+]CCCN2CCOCC2)[C@@H]1C ZINC000023477800 570363061 /nfs/dbraw/zinc/36/30/61/570363061.db2.gz NCWFJKCFMCJXEG-RPHTVSPISA-N 1 0 389.584 3.162 50 0 GGAARO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3c4c(cccc24)CCC3)s1 ZINC000023478728 570363337 /nfs/dbraw/zinc/36/33/37/570363337.db2.gz RLQHYNRVTAPARN-QGZVFWFLSA-N 1 0 393.512 3.445 50 0 GGAARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575618820 570365193 /nfs/dbraw/zinc/36/51/93/570365193.db2.gz CTJCNENVDRTWAG-KRWDZBQOSA-N 1 0 397.500 3.268 50 0 GGAARO C[C@@H](C1CCN(C(=O)CN2CC3(CC2=O)CCCCCC3)CC1)[NH+]1CCCC1 ZINC000023619075 570366659 /nfs/dbraw/zinc/36/66/59/570366659.db2.gz SAFWEGHSHYMYQP-IBGZPJMESA-N 1 0 389.584 3.282 50 0 GGAARO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000023634069 570367066 /nfs/dbraw/zinc/36/70/66/570367066.db2.gz BPJBGGYFMIDYPX-QFIPXVFZSA-N 1 0 376.500 3.311 50 0 GGAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc1 ZINC000004336347 570369343 /nfs/dbraw/zinc/36/93/43/570369343.db2.gz AUKQPEQUSONKPQ-UHFFFAOYSA-N 1 0 381.501 3.363 50 0 GGAARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000575621681 570370531 /nfs/dbraw/zinc/37/05/31/570370531.db2.gz QWRQSJWNFJOPSP-GOSISDBHSA-N 1 0 379.460 3.407 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1cc2ccccc2o1 ZINC000575621456 570371290 /nfs/dbraw/zinc/37/12/90/570371290.db2.gz OJYZUXNVNYPSON-SFHVURJKSA-N 1 0 383.492 3.158 50 0 GGAARO CCOc1ccccc1NC(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022767010 570376449 /nfs/dbraw/zinc/37/64/49/570376449.db2.gz ROBXFNLDROPUQC-SFHVURJKSA-N 1 0 388.537 3.257 50 0 GGAARO CC(C)[NH+]1CCC(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 ZINC000219968952 570379485 /nfs/dbraw/zinc/37/94/85/570379485.db2.gz PTSFKHKBNLSMMJ-ZNIKRAEXSA-N 1 0 381.520 3.283 50 0 GGAARO COc1cccc(-c2cccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCC3)c2)c1 ZINC000220170986 570383547 /nfs/dbraw/zinc/38/35/47/570383547.db2.gz FEMFWYXRFUZNBW-KAOXLYBCSA-N 1 0 392.499 3.344 50 0 GGAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(-c3ccco3)c1)C2 ZINC000220419550 570386376 /nfs/dbraw/zinc/38/63/76/570386376.db2.gz NUINRQLQWUTBTQ-OAQYLSRUSA-N 1 0 380.492 3.144 50 0 GGAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000004648956 570389434 /nfs/dbraw/zinc/38/94/34/570389434.db2.gz HVSAHSXQBNIYSP-QGZVFWFLSA-N 1 0 393.270 3.466 50 0 GGAARO Cc1c2cc(C)ccc2oc1CN1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000221208235 570391846 /nfs/dbraw/zinc/39/18/46/570391846.db2.gz IDXVAPQRGRGGQK-FQEVSTJZSA-N 1 0 382.508 3.247 50 0 GGAARO O=C(Cc1ccccc1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004700850 570394939 /nfs/dbraw/zinc/39/49/39/570394939.db2.gz FYFOPACQNSPZEH-UHFFFAOYSA-N 1 0 377.532 3.038 50 0 GGAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000004703422 570395294 /nfs/dbraw/zinc/39/52/94/570395294.db2.gz RQZCGSHQRJMSOG-UHFFFAOYSA-N 1 0 397.494 3.261 50 0 GGAARO COc1ccccc1C(=O)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004703433 570395386 /nfs/dbraw/zinc/39/53/86/570395386.db2.gz JSDBCNPRMWLPLH-UHFFFAOYSA-N 1 0 379.504 3.122 50 0 GGAARO CCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000004711706 570396724 /nfs/dbraw/zinc/39/67/24/570396724.db2.gz BGLGASAVCRNWHN-UHFFFAOYSA-N 1 0 395.503 3.430 50 0 GGAARO COc1cccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1OC ZINC000004712109 570397250 /nfs/dbraw/zinc/39/72/50/570397250.db2.gz QBIPJDYJMHYOKH-UHFFFAOYSA-N 1 0 395.547 3.490 50 0 GGAARO CCc1ccc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1 ZINC000004725532 570398234 /nfs/dbraw/zinc/39/82/34/570398234.db2.gz UKPLJXROVLXNSO-UHFFFAOYSA-N 1 0 380.532 3.482 50 0 GGAARO CCOc1ccc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc1 ZINC000004725533 570398293 /nfs/dbraw/zinc/39/82/93/570398293.db2.gz OSILZYJGIKHCSH-UHFFFAOYSA-N 1 0 396.531 3.318 50 0 GGAARO COc1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000004725463 570398315 /nfs/dbraw/zinc/39/83/15/570398315.db2.gz UEUKFTGTUWERCE-UHFFFAOYSA-N 1 0 382.504 3.275 50 0 GGAARO COCCn1nnnc1[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CC=CCC1 ZINC000033730488 570408442 /nfs/dbraw/zinc/40/84/42/570408442.db2.gz UWLLNCQHVLXHCQ-UZLBHIALSA-N 1 0 380.496 3.031 50 0 GGAARO CCOc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccccc1 ZINC000004857612 570413044 /nfs/dbraw/zinc/41/30/44/570413044.db2.gz ACQHJGYJMXDZAO-UHFFFAOYSA-N 1 0 384.520 3.476 50 0 GGAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000005093905 570415746 /nfs/dbraw/zinc/41/57/46/570415746.db2.gz SYBNGHPYRWHCPA-IBGZPJMESA-N 1 0 378.476 3.446 50 0 GGAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cccnc3)=NN12 ZINC000005093906 570415883 /nfs/dbraw/zinc/41/58/83/570415883.db2.gz SYBNGHPYRWHCPA-LJQANCHMSA-N 1 0 378.476 3.446 50 0 GGAARO Cn1c2ccc(C[NH2+]CCNc3ccnc4cc(Cl)ccc43)cc2n(C)c1=O ZINC000004993718 570422282 /nfs/dbraw/zinc/42/22/82/570422282.db2.gz NPWXHTXMBIOHKI-UHFFFAOYSA-N 1 0 395.894 3.280 50 0 GGAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccccc1C ZINC000005019802 570424396 /nfs/dbraw/zinc/42/43/96/570424396.db2.gz GCXZRSCRVVJFFB-UHFFFAOYSA-N 1 0 384.520 3.395 50 0 GGAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(F)cc1 ZINC000005019624 570424470 /nfs/dbraw/zinc/42/44/70/570424470.db2.gz NDJKCVXSYNXXAR-UHFFFAOYSA-N 1 0 388.483 3.225 50 0 GGAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CNCCC[NH+](C)C ZINC000001807243 570426656 /nfs/dbraw/zinc/42/66/56/570426656.db2.gz UOBYGYLBCYXLAU-UHFFFAOYSA-N 1 0 389.521 3.072 50 0 GGAARO COc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000005274591 570432954 /nfs/dbraw/zinc/43/29/54/570432954.db2.gz JOAVPDOYKBZGKI-QGZVFWFLSA-N 1 0 397.862 3.294 50 0 GGAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000005324044 570433958 /nfs/dbraw/zinc/43/39/58/570433958.db2.gz HMKZQJLTEVTAOS-UHFFFAOYSA-N 1 0 375.398 3.475 50 0 GGAARO CC(C)c1ccc(OCC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000027663359 570438696 /nfs/dbraw/zinc/43/86/96/570438696.db2.gz IWXYQSSGYZJZQL-UHFFFAOYSA-N 1 0 387.568 3.255 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CC[C@H](O)CC2)Cc2ccccc2C1 ZINC000248111343 570440907 /nfs/dbraw/zinc/44/09/07/570440907.db2.gz KHBPPSYBMYCZPJ-YHBQERECSA-N 1 0 392.543 3.118 50 0 GGAARO Cc1cc(C)cc(O[C@@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)c1 ZINC000027741614 570441257 /nfs/dbraw/zinc/44/12/57/570441257.db2.gz RHKHXJZPZOHDMB-FQEVSTJZSA-N 1 0 387.568 3.137 50 0 GGAARO C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@@]2(O)C[NH+](CCO)CCO ZINC000253500251 570445073 /nfs/dbraw/zinc/44/50/73/570445073.db2.gz KGRGAVSLNLMKNR-HOASPINLSA-N 1 0 393.612 3.437 50 0 GGAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000005706314 570452120 /nfs/dbraw/zinc/45/21/20/570452120.db2.gz VXQCFYVSUXZUTE-LJQANCHMSA-N 1 0 386.499 3.373 50 0 GGAARO COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1 ZINC000028349614 570458482 /nfs/dbraw/zinc/45/84/82/570458482.db2.gz HUVRKZCEPVFQRB-JXFKEZNVSA-N 1 0 398.503 3.033 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccnc1 ZINC000005967767 570463335 /nfs/dbraw/zinc/46/33/35/570463335.db2.gz MNTPZJQNTQOXDI-LJQANCHMSA-N 1 0 377.444 3.075 50 0 GGAARO COC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)c2c(cccc2C)n1C ZINC000035851518 570465404 /nfs/dbraw/zinc/46/54/04/570465404.db2.gz HOFHADVXGGIFKF-UHFFFAOYSA-N 1 0 391.471 3.270 50 0 GGAARO CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000035855950 570465431 /nfs/dbraw/zinc/46/54/31/570465431.db2.gz NCESDYLKAONMPK-FGZHOGPDSA-N 1 0 391.515 3.454 50 0 GGAARO Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c(C)c1 ZINC000035876657 570469790 /nfs/dbraw/zinc/46/97/90/570469790.db2.gz IMSCQYKLRWYMAC-JOCHJYFZSA-N 1 0 391.515 3.195 50 0 GGAARO CC(C)(C)OC(=O)[C@H](C[NH3+])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000169722869 570472976 /nfs/dbraw/zinc/47/29/76/570472976.db2.gz CJRQTFFPEHEEBS-IBGZPJMESA-N 1 0 382.460 3.194 50 0 GGAARO Cc1nc(C2CC(O)C2)cc(N(C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000223731895 570481840 /nfs/dbraw/zinc/48/18/40/570481840.db2.gz QZPYHOMKESREPE-UHFFFAOYSA-N 1 0 380.536 3.372 50 0 GGAARO COc1cccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1OC ZINC000006730809 570491129 /nfs/dbraw/zinc/49/11/29/570491129.db2.gz PHJQTUIIUPVRDE-UHFFFAOYSA-N 1 0 384.520 3.430 50 0 GGAARO C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCC[NH+](C)C ZINC000006623751 570507630 /nfs/dbraw/zinc/50/76/30/570507630.db2.gz YOIVTEYMVHYJTG-INIZCTEOSA-N 1 0 394.471 3.295 50 0 biogenic GGAARO COc1ccc(CC[NH2+]Cc2ccc(OCc3nc(C)no3)c(OC)c2)cc1 ZINC000032617181 570512559 /nfs/dbraw/zinc/51/25/59/570512559.db2.gz ISAHYIZAZKOYAD-UHFFFAOYSA-N 1 0 383.448 3.307 50 0 GGAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000032823152 570514383 /nfs/dbraw/zinc/51/43/83/570514383.db2.gz OVAWHEIHJJIXNQ-UHFFFAOYSA-N 1 0 378.520 3.026 50 0 GGAARO COc1ccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1OC ZINC000022679119 570516429 /nfs/dbraw/zinc/51/64/29/570516429.db2.gz BZPAUGWMBIBSTD-KRWDZBQOSA-N 1 0 389.521 3.402 50 0 GGAARO COc1ccc([C@]2(O)C[N+](c3cc(OC)ccc3OC)=C3CCCCCN32)cc1 ZINC000002974534 570524301 /nfs/dbraw/zinc/52/43/01/570524301.db2.gz CLEJTIJEXYEFDG-HSZRJFAPSA-N 1 0 397.495 3.363 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000033318279 570524814 /nfs/dbraw/zinc/52/48/14/570524814.db2.gz WMRLYWZTQROEGR-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO CCOc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(OC)c(OC)c3)C2)cc1 ZINC000002966398 570525362 /nfs/dbraw/zinc/52/53/62/570525362.db2.gz QCAGFHHZFSOCBQ-QHCPKHFHSA-N 1 0 397.495 3.363 50 0 GGAARO Cc1cc(O)c([C@@H](c2ccccn2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000022698026 570528217 /nfs/dbraw/zinc/52/82/17/570528217.db2.gz MXOFICOELXEJTO-JOCHJYFZSA-N 1 0 390.487 3.276 50 0 GGAARO Cc1cc(O)c([C@H](c2ccccn2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000022698024 570528329 /nfs/dbraw/zinc/52/83/29/570528329.db2.gz MXOFICOELXEJTO-QFIPXVFZSA-N 1 0 390.487 3.276 50 0 GGAARO CN1C(=O)Cc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc21 ZINC000034325868 570533051 /nfs/dbraw/zinc/53/30/51/570533051.db2.gz GCMGGHAKCUEXRD-UHFFFAOYSA-N 1 0 392.528 3.180 50 0 GGAARO Cc1cc(O)c([C@H](c2cccnc2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000022698303 570533560 /nfs/dbraw/zinc/53/35/60/570533560.db2.gz DPEHPMRBNMOPPI-NRFANRHFSA-N 1 0 379.460 3.474 50 0 GGAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000015856058 570536287 /nfs/dbraw/zinc/53/62/87/570536287.db2.gz GUHJQSSWPYOSEY-UHFFFAOYSA-N 1 0 381.520 3.144 50 0 GGAARO COC(=O)c1cc(=O)nc2n1-c1ccc(Cl)cc1C(c1ccccc1)=[NH+]C2 ZINC000034462906 570536379 /nfs/dbraw/zinc/53/63/79/570536379.db2.gz XSGFUPODTGFRET-UHFFFAOYSA-N 1 0 379.803 3.024 50 0 GGAARO COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022794139 570547927 /nfs/dbraw/zinc/54/79/27/570547927.db2.gz PJJBGGDJPBNIFM-HXUWFJFHSA-N 1 0 387.911 3.067 50 0 GGAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 ZINC000006719244 570547982 /nfs/dbraw/zinc/54/79/82/570547982.db2.gz PEJNEJHUWARLOX-UHFFFAOYSA-N 1 0 391.523 3.381 50 0 GGAARO CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 ZINC000035801098 570558325 /nfs/dbraw/zinc/55/83/25/570558325.db2.gz QZZUEBNBZAPZLX-QFIPXVFZSA-N 1 0 392.499 3.149 50 0 fda GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(F)cc2)N(CC[NH+](C)C)C1=O ZINC000005350198 570562933 /nfs/dbraw/zinc/56/29/33/570562933.db2.gz CUXAICSAANQJIL-LJQANCHMSA-N 1 0 396.418 3.048 50 0 GGAARO COc1ccc(OC)c(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c1 ZINC000036379416 570564051 /nfs/dbraw/zinc/56/40/51/570564051.db2.gz IRASVPCZGURRLA-JOCHJYFZSA-N 1 0 398.547 3.205 50 0 GGAARO Cc1cccc(-c2ncc(CN3CC[N@H+](C4CCCC4)[C@H](CCO)C3)cn2)c1 ZINC000036385662 570564489 /nfs/dbraw/zinc/56/44/89/570564489.db2.gz MMCRLOKJHVIPTR-JOCHJYFZSA-N 1 0 380.536 3.263 50 0 GGAARO Cn1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000036385665 570564906 /nfs/dbraw/zinc/56/49/06/570564906.db2.gz YWVOIDLITDZIKP-HSZRJFAPSA-N 1 0 390.531 3.156 50 0 GGAARO CCOc1cc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000036385606 570564929 /nfs/dbraw/zinc/56/49/29/570564929.db2.gz XNNWOOLMOFRIHI-JOCHJYFZSA-N 1 0 398.547 3.205 50 0 GGAARO Cc1ccc(-c2cc3nc(SCC[NH+]4CCCC4)n(N)c(=O)c3s2)cc1 ZINC000036646153 570567451 /nfs/dbraw/zinc/56/74/51/570567451.db2.gz VRSAFHXXFQSJDF-UHFFFAOYSA-N 1 0 386.546 3.335 50 0 GGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(F)cc2F)[nH+]1 ZINC000036708136 570567771 /nfs/dbraw/zinc/56/77/71/570567771.db2.gz DEBPKWIODPVDBJ-UHFFFAOYSA-N 1 0 390.438 3.287 50 0 GGAARO CCOc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cc1CO ZINC000039371602 570589981 /nfs/dbraw/zinc/58/99/81/570589981.db2.gz GPYWGKJGMHMQMI-JOCHJYFZSA-N 1 0 390.568 3.027 50 0 GGAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000039393428 570590811 /nfs/dbraw/zinc/59/08/11/570590811.db2.gz WYERSZKBWYVWDU-JOCHJYFZSA-N 1 0 399.579 3.192 50 0 GGAARO CCc1ccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cc1 ZINC000039412665 570590843 /nfs/dbraw/zinc/59/08/43/570590843.db2.gz ZSVXHYIGWXTMFN-JOCHJYFZSA-N 1 0 398.547 3.335 50 0 GGAARO COCc1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039420563 570591486 /nfs/dbraw/zinc/59/14/86/570591486.db2.gz GBLKZRIASYNETA-JOCHJYFZSA-N 1 0 390.568 3.291 50 0 GGAARO CC(=O)c1cc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)cs1 ZINC000039543512 570593350 /nfs/dbraw/zinc/59/33/50/570593350.db2.gz MZSMYRRXQWNXRF-OAQYLSRUSA-N 1 0 386.561 3.452 50 0 GGAARO CCOc1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000039532394 570593559 /nfs/dbraw/zinc/59/35/59/570593559.db2.gz WJVPAXUDLBPLFM-OAQYLSRUSA-N 1 0 384.520 3.163 50 0 GGAARO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019372206 570597040 /nfs/dbraw/zinc/59/70/40/570597040.db2.gz SUIBWZOUIVAPGQ-HXUWFJFHSA-N 1 0 393.487 3.056 50 0 GGAARO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000005452238 570597671 /nfs/dbraw/zinc/59/76/71/570597671.db2.gz JJLJEQFSWQWYRA-XQFWAAQXSA-N 1 0 393.487 3.424 50 0 GGAARO CCOC(=O)c1[nH]c(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000006800462 570601136 /nfs/dbraw/zinc/60/11/36/570601136.db2.gz GVHLGJMBGMOQSR-UHFFFAOYSA-N 1 0 383.492 3.203 50 0 GGAARO COC(=O)CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000012056865 570602649 /nfs/dbraw/zinc/60/26/49/570602649.db2.gz YXMCMPUFXCMKOQ-QGZVFWFLSA-N 1 0 388.508 3.108 50 0 GGAARO Fc1ccc(C[NH+]2CCC(c3nc4c5cnnc-5ncn4[nH]3)CC2)c(Cl)c1 ZINC000006828726 570626905 /nfs/dbraw/zinc/62/69/05/570626905.db2.gz VCHNSRKJTJQVIT-UHFFFAOYSA-N 1 0 385.834 3.173 50 0 GGAARO O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@@H+]3CCCCC34CC4)cc2)[nH]1 ZINC000048090885 570655307 /nfs/dbraw/zinc/65/53/07/570655307.db2.gz HSDFMJKPCITNCL-UHFFFAOYSA-N 1 0 389.503 3.395 50 0 GGAARO C[C@H]1CCC[N@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048087897 570655333 /nfs/dbraw/zinc/65/53/33/570655333.db2.gz AVBZFMTYIYXORG-KRWDZBQOSA-N 1 0 377.492 3.108 50 0 GGAARO COC[C@@H]1CCC[N@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)c2)C1 ZINC000048379488 570657855 /nfs/dbraw/zinc/65/78/55/570657855.db2.gz XNNZNWZAPOPVBO-GOSISDBHSA-N 1 0 390.487 3.357 50 0 GGAARO Cc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)n1 ZINC000012449341 570668214 /nfs/dbraw/zinc/66/82/14/570668214.db2.gz KTNZKWTYXOFPFJ-FQEVSTJZSA-N 1 0 380.536 3.478 50 0 GGAARO CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000012477024 570673697 /nfs/dbraw/zinc/67/36/97/570673697.db2.gz XIXSSNAZUWXABJ-JOCHJYFZSA-N 1 0 379.504 3.472 50 0 GGAARO COc1ccc(OCc2cc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)no2)c2ccccc12 ZINC000012480476 570674465 /nfs/dbraw/zinc/67/44/65/570674465.db2.gz AGEQUMIEORRRFU-OAHLLOKOSA-N 1 0 395.459 3.192 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)CN1Cc1cccc(Cl)c1 ZINC000032580958 570675779 /nfs/dbraw/zinc/67/57/79/570675779.db2.gz CHSHMXVVGUYFCZ-RTWAWAEBSA-N 1 0 385.939 3.436 50 0 GGAARO O=c1cc(-c2ccc(Cl)cc2)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000054253568 570676654 /nfs/dbraw/zinc/67/66/54/570676654.db2.gz GBSYFOUMRCGGND-UHFFFAOYSA-N 1 0 380.879 3.413 50 0 GGAARO Cc1c(C[N@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c2ccccc2n1CC(N)=O ZINC000055042096 570679936 /nfs/dbraw/zinc/67/99/36/570679936.db2.gz BLSKELUJZCPIOI-INIZCTEOSA-N 1 0 395.507 3.321 50 0 GGAARO NC(=O)Cn1cc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c2ccccc21 ZINC000055042155 570680010 /nfs/dbraw/zinc/68/00/10/570680010.db2.gz PECIXFWSVBSYBR-FQEVSTJZSA-N 1 0 395.478 3.447 50 0 GGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000240203787 570684446 /nfs/dbraw/zinc/68/44/46/570684446.db2.gz JTIIJRQPGWAMCM-NCYKPQTJSA-N 1 0 375.557 3.042 50 0 GGAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(c3ccc(Cl)nn3)CC2)cc1 ZINC000055152942 570684417 /nfs/dbraw/zinc/68/44/17/570684417.db2.gz JXVJGRNGUWYEPC-UHFFFAOYSA-N 1 0 386.862 3.418 50 0 GGAARO CC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000012591780 570687678 /nfs/dbraw/zinc/68/76/78/570687678.db2.gz NBOAHVDEHUSOFB-HXUWFJFHSA-N 1 0 399.579 3.094 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000055342972 570691867 /nfs/dbraw/zinc/69/18/67/570691867.db2.gz WXNZBJSJOXRXNQ-OAQYLSRUSA-N 1 0 393.531 3.430 50 0 GGAARO CCc1oc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1C[NH+]1CCCC1 ZINC000243956974 570692064 /nfs/dbraw/zinc/69/20/64/570692064.db2.gz CFCJDGXKPUKLRA-QLVMHMETSA-N 1 0 383.492 3.075 50 0 GGAARO O=C(Nc1ccc2c(c1)COC2)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000244652044 570694001 /nfs/dbraw/zinc/69/40/01/570694001.db2.gz GYTHLZZHJLSRCI-JOCHJYFZSA-N 1 0 377.488 3.424 50 0 GGAARO Cc1nc(NCc2ccc(C(=O)N3CCCCC3)cc2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244601975 570694210 /nfs/dbraw/zinc/69/42/10/570694210.db2.gz DVJWKGUPSWZCPM-WGSAOQKQSA-N 1 0 379.508 3.228 50 0 GGAARO O=C(N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000244652019 570694236 /nfs/dbraw/zinc/69/42/36/570694236.db2.gz GYHRYDKHQUNSAW-SNRMKQJTSA-N 1 0 376.928 3.017 50 0 GGAARO Cc1cc(C)cc(N2CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2=O)c1 ZINC000244734722 570695770 /nfs/dbraw/zinc/69/57/70/570695770.db2.gz NKRXFPPBOMWNKU-QFIPXVFZSA-N 1 0 377.532 3.474 50 0 GGAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)ccc1F ZINC000244852920 570697113 /nfs/dbraw/zinc/69/71/13/570697113.db2.gz VBSTXKZSCGCDQG-YCEIQTCASA-N 1 0 383.515 3.378 50 0 GGAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)COc3ccccc3)sc2c1 ZINC000004359141 570699370 /nfs/dbraw/zinc/69/93/70/570699370.db2.gz FHBDBDVWAIAQNL-UHFFFAOYSA-N 1 0 385.489 3.279 50 0 GGAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3COc4ccccc4O3)nc21 ZINC000004359233 570700431 /nfs/dbraw/zinc/70/04/31/570700431.db2.gz JBTZKQYJGNYRLO-KRWDZBQOSA-N 1 0 397.500 3.339 50 0 GGAARO CC[NH+](CC)CCN(C(=O)C1=COCCO1)c1nc2cc(C)cc(C)c2s1 ZINC000004359503 570705820 /nfs/dbraw/zinc/70/58/20/570705820.db2.gz IYJRADIBFALYQJ-UHFFFAOYSA-N 1 0 389.521 3.476 50 0 GGAARO CCc1nnc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000252490576 570728026 /nfs/dbraw/zinc/72/80/26/570728026.db2.gz KXDKCXSSMFUBNO-CYBMUJFWSA-N 1 0 385.493 3.450 50 0 GGAARO COc1cccc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000252486393 570728302 /nfs/dbraw/zinc/72/83/02/570728302.db2.gz HKYODNAQKHOOPQ-FQEVSTJZSA-N 1 0 381.476 3.350 50 0 GGAARO CC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3cccc(C)c3)C2)cc1 ZINC000252488250 570728424 /nfs/dbraw/zinc/72/84/24/570728424.db2.gz IOCVIQUDNKNUKU-NRFANRHFSA-N 1 0 379.504 3.449 50 0 GGAARO C[C@@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1F ZINC000530980875 570742267 /nfs/dbraw/zinc/74/22/67/570742267.db2.gz AKZWYSKWEFUKCY-MRXNPFEDSA-N 1 0 389.446 3.432 50 0 GGAARO CC(C)[C@@H](C)NC(=O)N1CCC(n2cc(C[N@H+]3[C@H](C)CCC[C@@H]3C)nn2)CC1 ZINC000063847221 570751103 /nfs/dbraw/zinc/75/11/03/570751103.db2.gz SWDQCNXUBZKCBR-FGTMMUONSA-N 1 0 390.576 3.432 50 0 GGAARO CC[C@@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CC[N@@H+]1C ZINC000063846271 570751348 /nfs/dbraw/zinc/75/13/48/570751348.db2.gz LJJGYFRURFKACJ-GOSISDBHSA-N 1 0 391.519 3.418 50 0 GGAARO COc1ccc(-c2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c3c(C)noc3n2)cc1 ZINC000036613860 570757742 /nfs/dbraw/zinc/75/77/42/570757742.db2.gz QHVAZSRHWPSRTA-INIZCTEOSA-N 1 0 392.459 3.127 50 0 GGAARO COc1cccc(-c2noc3nc(C)cc(C(=O)NC4CC[NH+](C)CC4)c32)c1 ZINC000036619005 570761052 /nfs/dbraw/zinc/76/10/52/570761052.db2.gz LQGHUSACJUNKHT-UHFFFAOYSA-N 1 0 380.448 3.031 50 0 GGAARO C[C@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027286 570777664 /nfs/dbraw/zinc/77/76/64/570777664.db2.gz UQHFWNXHGMDRFL-JXFKEZNVSA-N 1 0 386.540 3.489 50 0 GGAARO C[C@H](NC(=S)Nc1cccc(F)c1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027290 570777811 /nfs/dbraw/zinc/77/78/11/570777811.db2.gz UQHFWNXHGMDRFL-OXJNMPFZSA-N 1 0 386.540 3.489 50 0 GGAARO COc1ccccc1NC(=S)N[C@H](C)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031503 570778341 /nfs/dbraw/zinc/77/83/41/570778341.db2.gz DAHNHJCGFXWVRJ-UTKZUKDTSA-N 1 0 398.576 3.359 50 0 GGAARO COc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031499 570778585 /nfs/dbraw/zinc/77/85/85/570778585.db2.gz DAHNHJCGFXWVRJ-UWJYYQICSA-N 1 0 398.576 3.359 50 0 GGAARO CCOc1ccc(N2C(=O)C[C@@H](NNc3ncc(Cl)cc3Cl)C2=O)cc1 ZINC000101420134 570822790 /nfs/dbraw/zinc/82/27/90/570822790.db2.gz JZRKZEIWKROEPY-CQSZACIVSA-N 1 0 395.246 3.036 50 0 GGAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC000014531367 570847748 /nfs/dbraw/zinc/84/77/48/570847748.db2.gz GRKKIOFFRWPIOV-HNNXBMFYSA-N 1 0 390.478 3.166 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH+]1CCCCCCC1)CC2 ZINC000014533642 570848135 /nfs/dbraw/zinc/84/81/35/570848135.db2.gz KUHZTCRYROHVDE-KRWDZBQOSA-N 1 0 384.524 3.409 50 0 GGAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014538756 570848992 /nfs/dbraw/zinc/84/89/92/570848992.db2.gz MOVSOQHIVJDWLE-QGZVFWFLSA-N 1 0 381.586 3.293 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014740501 570857996 /nfs/dbraw/zinc/85/79/96/570857996.db2.gz DSQCFDVGPJJYBA-SFHVURJKSA-N 1 0 396.535 3.185 50 0 GGAARO CCn1nc(C)c(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000072142979 570869910 /nfs/dbraw/zinc/86/99/10/570869910.db2.gz SHQIXYJSHQRAFC-KSEOMHKRSA-N 1 0 378.520 3.222 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072143755 570870470 /nfs/dbraw/zinc/87/04/70/570870470.db2.gz QPSVTCJESVMYHA-HXUWFJFHSA-N 1 0 376.504 3.271 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)cc1OC ZINC000170613834 570870841 /nfs/dbraw/zinc/87/08/41/570870841.db2.gz RIJIGURABGYWQG-APWZRJJASA-N 1 0 398.507 3.088 50 0 GGAARO Cc1cc(CNC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)[nH]n1 ZINC000072149926 570873213 /nfs/dbraw/zinc/87/32/13/570873213.db2.gz YTBHFGAUSZSRCL-UHFFFAOYSA-N 1 0 388.515 3.046 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cnn(CC)c1 ZINC000015061811 570874801 /nfs/dbraw/zinc/87/48/01/570874801.db2.gz VASYSDRUJHBYSF-LJQANCHMSA-N 1 0 386.515 3.459 50 0 GGAARO COc1cccc(CC2(CO)CC[NH+](Cc3cccn3-c3ncccn3)CC2)c1 ZINC000015071634 570877464 /nfs/dbraw/zinc/87/74/64/570877464.db2.gz XLIXXZCIAKDVEA-UHFFFAOYSA-N 1 0 392.503 3.093 50 0 GGAARO CC1(C)CC(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC(C)(C)[NH2+]1 ZINC000003619787 570878113 /nfs/dbraw/zinc/87/81/13/570878113.db2.gz JTNFNKXAWURFAK-UHFFFAOYSA-N 1 0 399.535 3.268 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2C)c1=N ZINC000003653187 570881184 /nfs/dbraw/zinc/88/11/84/570881184.db2.gz QSXDXKQXUFBCJW-LJQANCHMSA-N 1 0 396.535 3.012 50 0 GGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cn3ccc(C)cc3n2)c1 ZINC000299762227 570892853 /nfs/dbraw/zinc/89/28/53/570892853.db2.gz MMHADFQSZZDSNS-HXUWFJFHSA-N 1 0 392.503 3.322 50 0 GGAARO C[NH+]1CCC(C(=O)NCCCc2nc3ccccc3[nH]2)(c2ccccc2)CC1 ZINC000299762667 570892990 /nfs/dbraw/zinc/89/29/90/570892990.db2.gz YCGFSXCIQXRGAG-UHFFFAOYSA-N 1 0 376.504 3.275 50 0 GGAARO COc1ccccc1-c1cccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000299768313 570893415 /nfs/dbraw/zinc/89/34/15/570893415.db2.gz TUDPDPJKMMVZJM-FQEVSTJZSA-N 1 0 382.504 3.329 50 0 GGAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000299766412 570893443 /nfs/dbraw/zinc/89/34/43/570893443.db2.gz IVWZDVGKUQTDAW-NRFANRHFSA-N 1 0 394.515 3.362 50 0 GGAARO C[C@H](CCNC(=O)c1ccc(-c2ccc(F)cc2F)cc1)[NH+]1CCN(C)CC1 ZINC000299770594 570894103 /nfs/dbraw/zinc/89/41/03/570894103.db2.gz SWVUDDFDVOVBFF-MRXNPFEDSA-N 1 0 387.474 3.388 50 0 GGAARO C[C@H](CCNC(=O)Nc1ccc(Cl)c2ncccc12)[NH+]1CCN(C)CC1 ZINC000299774007 570894521 /nfs/dbraw/zinc/89/45/21/570894521.db2.gz HSWADGDAEZJFPY-CQSZACIVSA-N 1 0 375.904 3.036 50 0 GGAARO CSc1ccccc1NC(=O)N1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000299782450 570895034 /nfs/dbraw/zinc/89/50/34/570895034.db2.gz MWRFQCMBRJSPAP-INIZCTEOSA-N 1 0 376.570 3.288 50 0 GGAARO O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccccc1SCc1ccccc1F ZINC000299784462 570895504 /nfs/dbraw/zinc/89/55/04/570895504.db2.gz XOXMGJNFWLTHCX-OAHLLOKOSA-N 1 0 375.469 3.228 50 0 GGAARO O=C1C[C@@H](C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)CN1c1ccccc1 ZINC000299787472 570895867 /nfs/dbraw/zinc/89/58/67/570895867.db2.gz XPPOKGBGCKGYSL-FQEVSTJZSA-N 1 0 381.495 3.387 50 0 GGAARO CCOCCC[NH2+][C@@H]1CCc2c(sc3ncn(CCC(C)C)c(=O)c32)C1 ZINC000299789716 570896057 /nfs/dbraw/zinc/89/60/57/570896057.db2.gz AENQOQITIYQUBY-OAHLLOKOSA-N 1 0 377.554 3.378 50 0 GGAARO O=C1C[C@H](C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)CN1c1ccccc1 ZINC000299787477 570896158 /nfs/dbraw/zinc/89/61/58/570896158.db2.gz XPPOKGBGCKGYSL-HXUWFJFHSA-N 1 0 381.495 3.387 50 0 GGAARO CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 ZINC000299792571 570896491 /nfs/dbraw/zinc/89/64/91/570896491.db2.gz FTGUNLAONBQCHT-FPOVZHCZSA-N 1 0 382.508 3.384 50 0 GGAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)Nc1ccc2c(c1)COC2=O ZINC000299795335 570897108 /nfs/dbraw/zinc/89/71/08/570897108.db2.gz LFVVHHCQEVSFBE-IBGZPJMESA-N 1 0 383.423 3.455 50 0 GGAARO Fc1ccc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1 ZINC000299795276 570897188 /nfs/dbraw/zinc/89/71/88/570897188.db2.gz LCCXNAQRRPAJGZ-UHFFFAOYSA-N 1 0 395.434 3.229 50 0 GGAARO CNc1ccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c2)cc1 ZINC000299794733 570897200 /nfs/dbraw/zinc/89/72/00/570897200.db2.gz NNEPZAUJCRPXJJ-VXKWHMMOSA-N 1 0 379.504 3.067 50 0 GGAARO Cn1cnnc1SCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299798558 570897603 /nfs/dbraw/zinc/89/76/03/570897603.db2.gz QPYBMZRBRXDXGB-XHSDSOJGSA-N 1 0 382.493 3.183 50 0 GGAARO COCC[NH2+]Cc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O ZINC000299798424 570897739 /nfs/dbraw/zinc/89/77/39/570897739.db2.gz RYQCSKPMOIZCPT-UHFFFAOYSA-N 1 0 396.487 3.111 50 0 GGAARO O=C(Nc1ccc2n[nH]nc2c1)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000299802622 570898180 /nfs/dbraw/zinc/89/81/80/570898180.db2.gz TYHVGKLEEHZTRH-AEFFLSMTSA-N 1 0 376.464 3.086 50 0 GGAARO CC(C)COc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299802453 570898214 /nfs/dbraw/zinc/89/82/14/570898214.db2.gz MFCKCYNDICKDCI-SFHVURJKSA-N 1 0 375.513 3.486 50 0 GGAARO CO[C@]12CC[N@H+](CCc3ccccc3)[C@H]1C[C@H](NC(=O)c1cscn1)CC2 ZINC000534585909 570904517 /nfs/dbraw/zinc/90/45/17/570904517.db2.gz ZZQCIYQXRFTQRY-SLYNCCJLSA-N 1 0 385.533 3.128 50 0 GGAARO CCCC[NH+](CCCC)CCNS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000004577992 570905530 /nfs/dbraw/zinc/90/55/30/570905530.db2.gz WVPGKLJHAUPZHR-UHFFFAOYSA-N 1 0 393.553 3.424 50 0 GGAARO Cc1ccc2[nH]c(CN(C)C(=O)NC3CC[NH+](Cc4ccco4)CC3)nc2c1 ZINC000534588992 570905681 /nfs/dbraw/zinc/90/56/81/570905681.db2.gz SYNMEIBXMHHZMR-UHFFFAOYSA-N 1 0 381.480 3.270 50 0 GGAARO CC[NH+]1CCN(CCCNC(=O)N(Cc2ccsc2)C2CCCC2)CC1 ZINC000534589551 570905767 /nfs/dbraw/zinc/90/57/67/570905767.db2.gz AETDMPRDWNRAKT-UHFFFAOYSA-N 1 0 378.586 3.230 50 0 GGAARO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000023115541 570908546 /nfs/dbraw/zinc/90/85/46/570908546.db2.gz GIPWGXKWWBAVSO-ZGHBNVOCSA-N 1 0 382.504 3.290 50 0 GGAARO CO[C@]12CC[N@H+](Cc3ccc(C)s3)[C@H]1C[C@H](NC(=O)c1ccccn1)CC2 ZINC000534634882 570911771 /nfs/dbraw/zinc/91/17/71/570911771.db2.gz RMBFKGYJBYVZNA-LKUPVBHCSA-N 1 0 385.533 3.394 50 0 GGAARO O=C(NCC1(C[NH+]2CCCC2)CC1)N1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000534638459 570912196 /nfs/dbraw/zinc/91/21/96/570912196.db2.gz QHBZOVSMRGXNHQ-MRXNPFEDSA-N 1 0 375.538 3.228 50 0 GGAARO CCOc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023127427 570912556 /nfs/dbraw/zinc/91/25/56/570912556.db2.gz OAZBXHYROPVGJT-UHFFFAOYSA-N 1 0 395.503 3.052 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000023127655 570912720 /nfs/dbraw/zinc/91/27/20/570912720.db2.gz JUPYHKUERBPSMD-UHFFFAOYSA-N 1 0 388.533 3.194 50 0 GGAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127719 570912860 /nfs/dbraw/zinc/91/28/60/570912860.db2.gz JDBPHHXGNQTACF-UHFFFAOYSA-N 1 0 394.562 3.337 50 0 GGAARO COc1cc(C)c(C)cc1S(=O)(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127610 570912932 /nfs/dbraw/zinc/91/29/32/570912932.db2.gz ZIBHTXJFMKBATN-UHFFFAOYSA-N 1 0 380.554 3.245 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000023127730 570913441 /nfs/dbraw/zinc/91/34/41/570913441.db2.gz VPPXFKMUZOSUOQ-UHFFFAOYSA-N 1 0 394.562 3.256 50 0 GGAARO CC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2cnn(-c3ccccc3OC)c2)CC1 ZINC000534654451 570915148 /nfs/dbraw/zinc/91/51/48/570915148.db2.gz WDCFKDJMSDETRG-MRXNPFEDSA-N 1 0 385.512 3.068 50 0 GGAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N3CC=C(c4ccccc4)CC3)cc2C1 ZINC000534658125 570916455 /nfs/dbraw/zinc/91/64/55/570916455.db2.gz HVJYVASUHBFFPR-UHFFFAOYSA-N 1 0 393.535 3.498 50 0 GGAARO CC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000016976243 570936054 /nfs/dbraw/zinc/93/60/54/570936054.db2.gz YBNYLSLQZGYJCF-UHFFFAOYSA-O 1 0 378.427 3.369 50 0 GGAARO COc1ccc(-c2c[n+](CC(=O)Nc3ccccc3OC)c3n2CCC3)cc1 ZINC000017015143 570937069 /nfs/dbraw/zinc/93/70/69/570937069.db2.gz YPNFWIJQQZBHDC-UHFFFAOYSA-O 1 0 378.452 3.045 50 0 GGAARO C[N@@H+](Cc1ccccc1)C[C@H](CN1CCC(NC(N)=O)CC1)c1ccccc1 ZINC000585138626 570951292 /nfs/dbraw/zinc/95/12/92/570951292.db2.gz RGWJTGGXYSLACW-OAQYLSRUSA-N 1 0 380.536 3.035 50 0 GGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccc(F)cc32)C1 ZINC000019226264 570964185 /nfs/dbraw/zinc/96/41/85/570964185.db2.gz DCQOGFIVMYMEIY-QGZVFWFLSA-N 1 0 395.482 3.331 50 0 GGAARO Cc1nn(C)c(Cl)c1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000019228056 570964606 /nfs/dbraw/zinc/96/46/06/570964606.db2.gz VJNRKQNUXACLNN-LJQANCHMSA-N 1 0 387.959 3.169 50 0 GGAARO Cc1ccc(S[C@H](C)C(=O)N2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)cc1 ZINC000019227781 570964644 /nfs/dbraw/zinc/96/46/44/570964644.db2.gz WAFOXEOQZCNPGC-OAHLLOKOSA-N 1 0 387.553 3.125 50 0 GGAARO Cc1ccc(S[C@@H](C)C(=O)N2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)cc1 ZINC000019227784 570964684 /nfs/dbraw/zinc/96/46/84/570964684.db2.gz WAFOXEOQZCNPGC-HNNXBMFYSA-N 1 0 387.553 3.125 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)c(OC)c1 ZINC000252536646 570991071 /nfs/dbraw/zinc/99/10/71/570991071.db2.gz JBAUCMXNUUTCRS-FOIQADDNSA-N 1 0 398.507 3.088 50 0 GGAARO O=C(c1cc(C(F)(F)F)n[nH]1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091269658 571001818 /nfs/dbraw/zinc/00/18/18/571001818.db2.gz XRDKDFLIQJKWMN-HUUCEWRRSA-N 1 0 378.398 3.165 50 0 GGAARO CS[C@H](C)CC[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 ZINC000091255369 571001846 /nfs/dbraw/zinc/00/18/46/571001846.db2.gz HDSSEACTICIWGO-OAHLLOKOSA-N 1 0 376.570 3.027 50 0 GGAARO O[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc3ccn(Cc4ccccc4)c3c1)CC2 ZINC000091289264 571002339 /nfs/dbraw/zinc/00/23/39/571002339.db2.gz NHYOSJZHJKOSFY-ZRZAMGCNSA-N 1 0 376.500 3.397 50 0 GGAARO c1cn(-c2cccc(-c3cscn3)c2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091319761 571002909 /nfs/dbraw/zinc/00/29/09/571002909.db2.gz FELDWBMIPSFCAF-UHFFFAOYSA-N 1 0 377.477 3.179 50 0 GGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000091319707 571002999 /nfs/dbraw/zinc/00/29/99/571002999.db2.gz ICLFEWFCQWMEQL-LJQANCHMSA-N 1 0 378.463 3.348 50 0 GGAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc4cccc(F)c4n3)C2)CCC1=O ZINC000091305580 571003003 /nfs/dbraw/zinc/00/30/03/571003003.db2.gz KVFGUYFXBNDAPI-JOCHJYFZSA-N 1 0 385.483 3.225 50 0 GGAARO CCn1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c1C ZINC000091320606 571003024 /nfs/dbraw/zinc/00/30/24/571003024.db2.gz MMTFKFIMJYPEFD-LEWJYISDSA-N 1 0 380.536 3.381 50 0 GGAARO Cc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)ccc1F ZINC000091364987 571004598 /nfs/dbraw/zinc/00/45/98/571004598.db2.gz CMYUCSDEGBGDCX-QFIPXVFZSA-N 1 0 384.499 3.305 50 0 GGAARO CC(C)c1nnsc1C[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091391479 571005846 /nfs/dbraw/zinc/00/58/46/571005846.db2.gz GVIBBCCOEWLALV-MRXNPFEDSA-N 1 0 392.569 3.045 50 0 GGAARO COc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccc(CO)cc3)C1)OCCCO2 ZINC000091390768 571006012 /nfs/dbraw/zinc/00/60/12/571006012.db2.gz RIOPXRQSNOMYCI-IBGZPJMESA-N 1 0 383.488 3.413 50 0 GGAARO Cc1ccccc1-c1ccc(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1 ZINC000091426227 571006854 /nfs/dbraw/zinc/00/68/54/571006854.db2.gz OSBRNLJOKIOXFB-DEOSSOPVSA-N 1 0 377.532 3.448 50 0 GGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000091424972 571006981 /nfs/dbraw/zinc/00/69/81/571006981.db2.gz KWICSKUAJLNKJK-QGZVFWFLSA-N 1 0 375.472 3.056 50 0 GGAARO COc1ccnc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)c1 ZINC000091444583 571008156 /nfs/dbraw/zinc/00/81/56/571008156.db2.gz NJNFRESZPZQZEU-OAQYLSRUSA-N 1 0 379.504 3.318 50 0 GGAARO COCC[C@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1C ZINC000091444994 571008531 /nfs/dbraw/zinc/00/85/31/571008531.db2.gz TZEOMIKTXZQNDT-AUSIDOKSSA-N 1 0 388.552 3.312 50 0 GGAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cc1 ZINC000091493695 571010914 /nfs/dbraw/zinc/01/09/14/571010914.db2.gz ACDFFAMVTGRFKM-HSZRJFAPSA-N 1 0 378.520 3.498 50 0 GGAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cc1 ZINC000091493693 571011016 /nfs/dbraw/zinc/01/10/16/571011016.db2.gz ACDFFAMVTGRFKM-QHCPKHFHSA-N 1 0 378.520 3.498 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCSC(C)C)CC3)cn1 ZINC000091519024 571011993 /nfs/dbraw/zinc/01/19/93/571011993.db2.gz IWONGVQIZKSCIA-UHFFFAOYSA-N 1 0 376.570 3.131 50 0 GGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N3CCCC3=O)cc1)C2 ZINC000091537082 571013211 /nfs/dbraw/zinc/01/32/11/571013211.db2.gz WNKHRMIKOPHNLA-WIYYLYMNSA-N 1 0 381.520 3.316 50 0 GGAARO CN(c1ncccc1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000091562866 571014387 /nfs/dbraw/zinc/01/43/87/571014387.db2.gz YONDFNZPZRSGEE-RTWAWAEBSA-N 1 0 378.520 3.417 50 0 GGAARO CCN(CC[NH+](C)C)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000091586896 571016165 /nfs/dbraw/zinc/01/61/65/571016165.db2.gz QXGUNGYECPPSCO-UHFFFAOYSA-N 1 0 388.493 3.195 50 0 GGAARO CNc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)ccn1 ZINC000091593247 571016206 /nfs/dbraw/zinc/01/62/06/571016206.db2.gz QCGPKIQMQLQOGS-HXUWFJFHSA-N 1 0 378.520 3.465 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cc1 ZINC000091593382 571016589 /nfs/dbraw/zinc/01/65/89/571016589.db2.gz GVXLCOPNDWWDHH-UHFFFAOYSA-N 1 0 379.504 3.495 50 0 GGAARO CCc1ncc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)cn1 ZINC000091603383 571017863 /nfs/dbraw/zinc/01/78/63/571017863.db2.gz IBSSTQYTIZDDCF-UHFFFAOYSA-N 1 0 392.547 3.486 50 0 GGAARO CC(C)NC(=O)CCc1cc2n(n1)CCC[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000091616383 571018047 /nfs/dbraw/zinc/01/80/47/571018047.db2.gz JAFQAFOJWDFHCO-UHFFFAOYSA-N 1 0 379.508 3.228 50 0 GGAARO C[C@@H](C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)c1ccccc1 ZINC000091621067 571018270 /nfs/dbraw/zinc/01/82/70/571018270.db2.gz QGNYVAZSMRGQAE-KRWDZBQOSA-N 1 0 378.520 3.299 50 0 GGAARO C[C@H](C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1)c1ccccc1 ZINC000091621070 571018440 /nfs/dbraw/zinc/01/84/40/571018440.db2.gz QGNYVAZSMRGQAE-QGZVFWFLSA-N 1 0 378.520 3.299 50 0 GGAARO CCn1cncc1C[NH+]1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000091624859 571019284 /nfs/dbraw/zinc/01/92/84/571019284.db2.gz JANWQFWESCHLAJ-UHFFFAOYSA-N 1 0 388.462 3.196 50 0 GGAARO OCC[C@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1CCc1ccccc1 ZINC000019594798 571020498 /nfs/dbraw/zinc/02/04/98/571020498.db2.gz OPSKGFSTYBPROM-QHCPKHFHSA-N 1 0 375.516 3.346 50 0 GGAARO O=C(CCCc1ccc(F)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091637043 571020759 /nfs/dbraw/zinc/02/07/59/571020759.db2.gz LUCFEHXTXUADRA-WOJBJXKFSA-N 1 0 376.516 3.091 50 0 GGAARO CCN1CC[C@@]2(C[N@H+](Cc3c(C)ccc4ncccc43)CCN2C)CCC1=O ZINC000091643311 571020907 /nfs/dbraw/zinc/02/09/07/571020907.db2.gz ZGWHJMIJWIQWQK-HSZRJFAPSA-N 1 0 380.536 3.062 50 0 GGAARO CC(C)n1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cn1 ZINC000091644405 571021364 /nfs/dbraw/zinc/02/13/64/571021364.db2.gz AYXBIYATAIWXEG-UHFFFAOYSA-N 1 0 381.524 3.264 50 0 GGAARO C[N@@H+]1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@]12CCNC(=O)CC2 ZINC000091644122 571021378 /nfs/dbraw/zinc/02/13/78/571021378.db2.gz YDKDYXPOCNICFF-NRFANRHFSA-N 1 0 387.911 3.386 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000091644814 571021393 /nfs/dbraw/zinc/02/13/93/571021393.db2.gz OSVGDOUMCILREH-UHFFFAOYSA-N 1 0 381.520 3.476 50 0 GGAARO O=C1CCC2(CC[NH+](CCCOc3ccccc3)CC2)CN1C[C@H]1CCCO1 ZINC000091644933 571021875 /nfs/dbraw/zinc/02/18/75/571021875.db2.gz BMFGKMIOWNXLMP-OAQYLSRUSA-N 1 0 386.536 3.339 50 0 GGAARO CN(CC1CC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091645479 571021938 /nfs/dbraw/zinc/02/19/38/571021938.db2.gz WOZYXUCWIFJOKW-QFIPXVFZSA-N 1 0 383.580 3.274 50 0 GGAARO CCn1c2ccccc2nc1CN1CC[N@H+](CCc2ccccc2)[C@@H](CCO)C1 ZINC000019635434 571022314 /nfs/dbraw/zinc/02/23/14/571022314.db2.gz JWKHWBIEFYDYLG-NRFANRHFSA-N 1 0 392.547 3.168 50 0 GGAARO CCN1CC2(CC[NH+](Cc3cccnc3N)CC2)C[C@H](c2ccccc2)C1=O ZINC000091650142 571022370 /nfs/dbraw/zinc/02/23/70/571022370.db2.gz LTDCLIMBSJGCEE-HXUWFJFHSA-N 1 0 378.520 3.282 50 0 GGAARO CO[C@@H](C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccccc1 ZINC000091650573 571022489 /nfs/dbraw/zinc/02/24/89/571022489.db2.gz IZNOKLAEZUQLGE-OAQYLSRUSA-N 1 0 382.508 3.035 50 0 GGAARO CCn1ncc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1C ZINC000091649680 571022599 /nfs/dbraw/zinc/02/25/99/571022599.db2.gz UPWNJYLSWYROHN-UHFFFAOYSA-N 1 0 381.524 3.011 50 0 GGAARO Cc1c(C[N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000091663011 571024277 /nfs/dbraw/zinc/02/42/77/571024277.db2.gz KVQYJQODFGTRJA-NRFANRHFSA-N 1 0 391.515 3.041 50 0 GGAARO COc1cccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)[nH]n2)c1 ZINC000091665647 571025272 /nfs/dbraw/zinc/02/52/72/571025272.db2.gz YFRGTYOQVOKEJA-NRFANRHFSA-N 1 0 378.476 3.426 50 0 GGAARO C[N@@H+]1CCN(Cc2ccccc2Cl)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091707814 571027020 /nfs/dbraw/zinc/02/70/20/571027020.db2.gz RDTHDWXURNGEHJ-NRFANRHFSA-N 1 0 375.944 3.249 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3ccc([C@H]4CCCO4)s3)cc2C1 ZINC000091745838 571028774 /nfs/dbraw/zinc/02/87/74/571028774.db2.gz BQJUBZNXHNCANY-QGZVFWFLSA-N 1 0 388.537 3.198 50 0 GGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 ZINC000091755645 571029435 /nfs/dbraw/zinc/02/94/35/571029435.db2.gz BJEPBDPDFAXGFQ-UHFFFAOYSA-N 1 0 378.476 3.295 50 0 GGAARO C[C@H](C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1)c1ccccc1 ZINC000091779653 571030159 /nfs/dbraw/zinc/03/01/59/571030159.db2.gz UWJQTSRLMFWEFO-LJQANCHMSA-N 1 0 380.536 3.461 50 0 GGAARO C[C@@H](C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1)c1ccccc1 ZINC000091779648 571030264 /nfs/dbraw/zinc/03/02/64/571030264.db2.gz UWJQTSRLMFWEFO-IBGZPJMESA-N 1 0 380.536 3.461 50 0 GGAARO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c(C)n1 ZINC000091779543 571030310 /nfs/dbraw/zinc/03/03/10/571030310.db2.gz LTVFBOZUGFSYJD-LEWJYISDSA-N 1 0 378.520 3.263 50 0 GGAARO CCc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)cn1 ZINC000091782388 571030728 /nfs/dbraw/zinc/03/07/28/571030728.db2.gz IXDJIUXNDIZRCA-FQEVSTJZSA-N 1 0 378.520 3.267 50 0 GGAARO Cc1nccn1CCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 ZINC000091793520 571031139 /nfs/dbraw/zinc/03/11/39/571031139.db2.gz QATTYOLPSJNFRU-OAQYLSRUSA-N 1 0 380.536 3.310 50 0 GGAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)cc1O)CC2 ZINC000091818285 571031825 /nfs/dbraw/zinc/03/18/25/571031825.db2.gz XINHAUGMCJSXRW-UHFFFAOYSA-N 1 0 382.508 3.213 50 0 GGAARO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000091846705 571032757 /nfs/dbraw/zinc/03/27/57/571032757.db2.gz JNFFMDDFWWWQEX-UHFFFAOYSA-N 1 0 388.515 3.494 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000091848693 571033012 /nfs/dbraw/zinc/03/30/12/571033012.db2.gz ZAGIHLSUJBYAPG-UHFFFAOYSA-N 1 0 376.863 3.212 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(F)c(Cl)c1)CC2 ZINC000091849337 571033849 /nfs/dbraw/zinc/03/38/49/571033849.db2.gz PUWBIDBJUUBWNS-UHFFFAOYSA-N 1 0 376.863 3.212 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc(C)c(C)c1)C2 ZINC000091906785 571035728 /nfs/dbraw/zinc/03/57/28/571035728.db2.gz SBIHIDUSJIGJRM-VQTJNVASSA-N 1 0 397.519 3.410 50 0 GGAARO c1cnn(Cc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)cc2)c1 ZINC000091932909 571036459 /nfs/dbraw/zinc/03/64/59/571036459.db2.gz UWDNCFMFBYSSCQ-BJKOFHAPSA-N 1 0 387.531 3.423 50 0 GGAARO CC(C)CN1CC2(CC1=O)CC[NH+](Cc1cnn(-c3cccc(F)c3)c1)CC2 ZINC000091950611 571037320 /nfs/dbraw/zinc/03/73/20/571037320.db2.gz IBMMWUYHSQVXBS-UHFFFAOYSA-N 1 0 384.499 3.482 50 0 GGAARO Cc1ccc(-c2ncc(C(=O)N(C)CCC[NH+]3CCCCCC3)c(=O)[nH]2)cc1 ZINC000091974031 571038456 /nfs/dbraw/zinc/03/84/56/571038456.db2.gz VJCKGPGNWKLBQK-UHFFFAOYSA-N 1 0 382.508 3.496 50 0 GGAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)C[C@@H]1CO ZINC000092028378 571041733 /nfs/dbraw/zinc/04/17/33/571041733.db2.gz CMYFBNSUPCPGET-QZTJIDSGSA-N 1 0 376.541 3.271 50 0 GGAARO O=C(Cc1c[nH]c2ccccc12)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000092038048 571042014 /nfs/dbraw/zinc/04/20/14/571042014.db2.gz CJJCLJBGMXGREV-UHFFFAOYSA-N 1 0 391.519 3.372 50 0 GGAARO O=C(CCc1cccnc1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000092038780 571042319 /nfs/dbraw/zinc/04/23/19/571042319.db2.gz IZLQZABGWHWRSB-UHFFFAOYSA-N 1 0 381.524 3.066 50 0 GGAARO O=C1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)CN1Cc1ccccn1 ZINC000092077181 571043914 /nfs/dbraw/zinc/04/39/14/571043914.db2.gz JOUIRRLUCKEEBU-UHFFFAOYSA-N 1 0 375.516 3.454 50 0 GGAARO CS[C@H](C)CC[NH+]1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000092099272 571044859 /nfs/dbraw/zinc/04/48/59/571044859.db2.gz WSZDVHCVAJELHP-GOSISDBHSA-N 1 0 378.586 3.119 50 0 GGAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(O)c3)C2)CN1CCc1ccccn1 ZINC000092098136 571044966 /nfs/dbraw/zinc/04/49/66/571044966.db2.gz HBMQFEUKYOSOEM-HSZRJFAPSA-N 1 0 379.504 3.235 50 0 GGAARO O=C(CCc1ccccn1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000092099683 571045372 /nfs/dbraw/zinc/04/53/72/571045372.db2.gz QNCZTIOPZFUMJA-UHFFFAOYSA-N 1 0 381.524 3.066 50 0 GGAARO Cc1ccc([C@@H](C(=O)NC2CC[NH+](C3CCSCC3)CC2)N(C)C)cc1 ZINC000095353262 571050540 /nfs/dbraw/zinc/05/05/40/571050540.db2.gz YSURCHATPMEQCX-FQEVSTJZSA-N 1 0 375.582 3.074 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3c(C)noc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095354164 571050815 /nfs/dbraw/zinc/05/08/15/571050815.db2.gz SGUDUCJBQKKGIF-CEWLAPEOSA-N 1 0 381.476 3.002 50 0 GGAARO OCc1ccc2c(c1)C[N@H+](C1CCN(c3nc4ccccc4o3)CC1)CCO2 ZINC000095354528 571051388 /nfs/dbraw/zinc/05/13/88/571051388.db2.gz SKIQIWDKKINWDZ-UHFFFAOYSA-N 1 0 379.460 3.184 50 0 GGAARO O=C(c1n[nH]c2ccccc21)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095354642 571051457 /nfs/dbraw/zinc/05/14/57/571051457.db2.gz XQJAHGXIHJGDOM-QFBILLFUSA-N 1 0 386.499 3.267 50 0 GGAARO Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095354361 571051499 /nfs/dbraw/zinc/05/14/99/571051499.db2.gz IQMKYBZUPRUYHT-AZUAARDMSA-N 1 0 384.499 3.221 50 0 GGAARO O=C(c1cccnn1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095354317 571051530 /nfs/dbraw/zinc/05/15/30/571051530.db2.gz QDYMUVRUNMHXJP-IBGZPJMESA-N 1 0 376.504 3.351 50 0 GGAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000095355964 571052065 /nfs/dbraw/zinc/05/20/65/571052065.db2.gz PURHTUAXEUJMLN-UHFFFAOYSA-N 1 0 390.487 3.392 50 0 GGAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2CCCOc2ccc(F)cc2)C1 ZINC000095355150 571052071 /nfs/dbraw/zinc/05/20/71/571052071.db2.gz COWGVZNKTSGXQE-IEBWSBKVSA-N 1 0 383.467 3.226 50 0 GGAARO O=C(NCc1ccccc1CN1CCCC1=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095357787 571052904 /nfs/dbraw/zinc/05/29/04/571052904.db2.gz KDIGWUHBMJRBPJ-HXUWFJFHSA-N 1 0 391.515 3.206 50 0 GGAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)cc1 ZINC000095358309 571053153 /nfs/dbraw/zinc/05/31/53/571053153.db2.gz YPWGKKXOCMMXMP-NRFANRHFSA-N 1 0 377.488 3.283 50 0 GGAARO O=C(C1CCC1)N1CC[C@]2(O)CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000095358687 571053809 /nfs/dbraw/zinc/05/38/09/571053809.db2.gz GIHIBHZHTGNMNA-UYAOXDASSA-N 1 0 396.453 3.291 50 0 GGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1-c1ccc(OC)c(OC)c1)C2 ZINC000095359097 571054091 /nfs/dbraw/zinc/05/40/91/571054091.db2.gz DLYWIPACQUPTTB-QFBILLFUSA-N 1 0 384.524 3.400 50 0 GGAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000095359517 571054260 /nfs/dbraw/zinc/05/42/60/571054260.db2.gz VFDKWCUDFONEEA-KRWDZBQOSA-N 1 0 376.464 3.186 50 0 GGAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000095361527 571055639 /nfs/dbraw/zinc/05/56/39/571055639.db2.gz OSNHSUADYZKUPR-PZJWPPBQSA-N 1 0 376.508 3.000 50 0 GGAARO O=C(C1CCCC1)N1CC[C@]2(O)CC[N@@H+](Cc3cccc4[nH]ccc43)C[C@@H]2C1 ZINC000095361755 571055644 /nfs/dbraw/zinc/05/56/44/571055644.db2.gz IVAKGFUNSIOKMM-AUSIDOKSSA-N 1 0 381.520 3.143 50 0 GGAARO O=C(c1ccccc1)N1CCC([N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)CC1 ZINC000095361509 571055711 /nfs/dbraw/zinc/05/57/11/571055711.db2.gz KARSKUCLGDZWLC-NFBKMPQASA-N 1 0 381.564 3.488 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000095362083 571056025 /nfs/dbraw/zinc/05/60/25/571056025.db2.gz JUAHIWPEDYLZSQ-AWEZNQCLSA-N 1 0 378.879 3.257 50 0 GGAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(-c3ccccc3)s2)C1 ZINC000095362756 571056422 /nfs/dbraw/zinc/05/64/22/571056422.db2.gz FMLBWCMGWDIEIH-PKOBYXMFSA-N 1 0 383.561 3.400 50 0 GGAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3C)o1 ZINC000095362642 571056432 /nfs/dbraw/zinc/05/64/32/571056432.db2.gz OGEYPVDCZBISNL-FXAWDEMLSA-N 1 0 390.487 3.493 50 0 GGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000095363100 571056537 /nfs/dbraw/zinc/05/65/37/571056537.db2.gz VAQFPRMWCPFBIH-UHFFFAOYSA-N 1 0 385.537 3.397 50 0 GGAARO CCOc1cccc(CN(CCO)C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)c1 ZINC000095362974 571056594 /nfs/dbraw/zinc/05/65/94/571056594.db2.gz UQMQOLBXYOCHGJ-NRFANRHFSA-N 1 0 382.504 3.187 50 0 GGAARO O=C(COc1ccc(F)cc1F)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095366333 571058616 /nfs/dbraw/zinc/05/86/16/571058616.db2.gz MIMOOOUUDRMJOU-IEBWSBKVSA-N 1 0 386.442 3.467 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cc2ccc(O)cc2)C3)cc1 ZINC000095367031 571059067 /nfs/dbraw/zinc/05/90/67/571059067.db2.gz AMLWVXGIJFFCPT-VQTJNVASSA-N 1 0 380.488 3.066 50 0 GGAARO OCCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c1 ZINC000095368993 571059943 /nfs/dbraw/zinc/05/99/43/571059943.db2.gz FYHLXJOKVCQKPL-RBBKRZOGSA-N 1 0 384.495 3.293 50 0 GGAARO COc1ccc(CCN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1OC ZINC000095371465 571061334 /nfs/dbraw/zinc/06/13/34/571061334.db2.gz CKUQSEPFZRNOHV-HXUWFJFHSA-N 1 0 382.504 3.486 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cc(C4CC4)n[nH]2)C3)cc1 ZINC000095371104 571061412 /nfs/dbraw/zinc/06/14/12/571061412.db2.gz CFTODIZZCDKQSA-FUHWJXTLSA-N 1 0 380.492 3.032 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000095372400 571061852 /nfs/dbraw/zinc/06/18/52/571061852.db2.gz KYTKVSDZZAVFOZ-HNNXBMFYSA-N 1 0 378.879 3.257 50 0 GGAARO CCN(C)C(=O)c1ccc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc1 ZINC000095372865 571062419 /nfs/dbraw/zinc/06/24/19/571062419.db2.gz GWAPDRTYBQUYPH-TZIWHRDSSA-N 1 0 378.520 3.274 50 0 GGAARO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)s1 ZINC000095373726 571062738 /nfs/dbraw/zinc/06/27/38/571062738.db2.gz HXAWMKZFIWUCJE-QFBILLFUSA-N 1 0 381.545 3.464 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCc2ccccn2)C3)cc1 ZINC000095373683 571062800 /nfs/dbraw/zinc/06/28/00/571062800.db2.gz MTXUQHOTECSLOP-PZJWPPBQSA-N 1 0 379.504 3.146 50 0 GGAARO Cc1[nH]nc(C2CC2)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095374275 571063412 /nfs/dbraw/zinc/06/34/12/571063412.db2.gz VGZAEOSIIDHMOR-QFBILLFUSA-N 1 0 382.483 3.471 50 0 GGAARO O=C(c1cc(F)ccc1F)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095375510 571064191 /nfs/dbraw/zinc/06/41/91/571064191.db2.gz WFNZCHOTZKYOLW-CEWLAPEOSA-N 1 0 384.426 3.373 50 0 GGAARO CC(C)CN1CC2(CC1=O)CC[NH+](Cc1cnn(-c3ccccc3F)c1)CC2 ZINC000095375506 571064195 /nfs/dbraw/zinc/06/41/95/571064195.db2.gz WICNDGRMWRNLPT-UHFFFAOYSA-N 1 0 384.499 3.482 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3cnn(C(C)C)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095375581 571064357 /nfs/dbraw/zinc/06/43/57/571064357.db2.gz YKSMPGDPUYOYJO-BHDDXSALSA-N 1 0 378.520 3.475 50 0 GGAARO C[C@@H](C[NH+]1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)C(F)(F)F ZINC000095377088 571065225 /nfs/dbraw/zinc/06/52/25/571065225.db2.gz BYAPQSMVHMCSHU-INIZCTEOSA-N 1 0 386.462 3.176 50 0 GGAARO CC(C)c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c(=O)[nH]1 ZINC000095377188 571065303 /nfs/dbraw/zinc/06/53/03/571065303.db2.gz ZFROPVMAOHWZSQ-RTBURBONSA-N 1 0 379.504 3.235 50 0 GGAARO CCOc1cc(C)c(C[N@@H+]2CC[C@@]3(O)CCN(C(C)=O)C[C@H]3C2)cc1C(C)C ZINC000095378509 571065874 /nfs/dbraw/zinc/06/58/74/571065874.db2.gz OERCXTXVCNNYRR-NFBKMPQASA-N 1 0 388.552 3.322 50 0 GGAARO CC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(-c4cccc(C)c4)cc3)C[C@@H]2C1 ZINC000095379033 571066223 /nfs/dbraw/zinc/06/62/23/571066223.db2.gz SSLKALCBTNICIJ-DNQXCXABSA-N 1 0 378.516 3.467 50 0 GGAARO CCc1nc(CN2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)cs1 ZINC000095380146 571067152 /nfs/dbraw/zinc/06/71/52/571067152.db2.gz BEXARIXUXIVQOX-QFUCXCTJSA-N 1 0 393.597 3.045 50 0 GGAARO CC(C)(O)CCc1ccc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1 ZINC000095380544 571067204 /nfs/dbraw/zinc/06/72/04/571067204.db2.gz WUNFPYPQCCMLJP-ZJSXRUAMSA-N 1 0 381.516 3.361 50 0 GGAARO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)[nH]n1 ZINC000095381098 571067611 /nfs/dbraw/zinc/06/76/11/571067611.db2.gz RHTRCVMGBYEAIJ-QFBILLFUSA-N 1 0 378.520 3.237 50 0 GGAARO O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095382262 571068036 /nfs/dbraw/zinc/06/80/36/571068036.db2.gz CGYMBDCZQARFFL-FQEVSTJZSA-N 1 0 383.536 3.065 50 0 GGAARO O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095381942 571068245 /nfs/dbraw/zinc/06/82/45/571068245.db2.gz FHBHFVOCAPZAQB-HXUWFJFHSA-N 1 0 377.488 3.210 50 0 GGAARO Oc1cccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095381862 571068293 /nfs/dbraw/zinc/06/82/93/571068293.db2.gz TVIDQNCFGSDWOU-WWPVKYPJSA-N 1 0 378.472 3.183 50 0 GGAARO CCc1nccn1CCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095385123 571069911 /nfs/dbraw/zinc/06/99/11/571069911.db2.gz NTACRZWVDGHBRE-WWPVKYPJSA-N 1 0 396.510 3.064 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)CCC(F)(F)F)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095385150 571070041 /nfs/dbraw/zinc/07/00/41/571070041.db2.gz BXIOARJILQKXHE-QXAKKESOSA-N 1 0 382.426 3.426 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000095386883 571070275 /nfs/dbraw/zinc/07/02/75/571070275.db2.gz PCCYNLUYARDWIN-CQSZACIVSA-N 1 0 378.879 3.257 50 0 GGAARO CC[C@@H]1CN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC[N@@H+]1C(C)C ZINC000095388587 571071787 /nfs/dbraw/zinc/07/17/87/571071787.db2.gz UZEMENJDDIRKSW-OAHLLOKOSA-N 1 0 385.533 3.132 50 0 GGAARO O=C(CCc1ccc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095390461 571072209 /nfs/dbraw/zinc/07/22/09/571072209.db2.gz SBRJIUNFBNFKJV-OXJNMPFZSA-N 1 0 385.458 3.415 50 0 GGAARO CCc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000095392257 571072977 /nfs/dbraw/zinc/07/29/77/571072977.db2.gz YRUQXRAXOJDEKJ-LJQANCHMSA-N 1 0 378.520 3.381 50 0 GGAARO O=C(C1CCCC1)N1CC[C@]2(O)CC[N@@H+](CCSc3ccccc3)C[C@@H]2C1 ZINC000095391465 571072994 /nfs/dbraw/zinc/07/29/94/571072994.db2.gz LRDDSJAAIWPLNG-DENIHFKCSA-N 1 0 388.577 3.254 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)nc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095391900 571073153 /nfs/dbraw/zinc/07/31/53/571073153.db2.gz WMKZIICTVNOTSE-BHDDXSALSA-N 1 0 377.488 3.101 50 0 GGAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+](CCc2ncc[nH]2)C1 ZINC000095509956 571081179 /nfs/dbraw/zinc/08/11/79/571081179.db2.gz OKONRWFPGQIYGV-MRXNPFEDSA-N 1 0 381.505 3.426 50 0 GGAARO Cc1sc2nc(C[NH2+]Cc3cn(CCC(N)=O)c4ccccc34)cn2c1C ZINC000055088556 1406882871 /nfs/dbraw/zinc/88/28/71/1406882871.db2.gz UOAICNZRNOVHIC-UHFFFAOYSA-N 1 0 381.505 3.133 50 0 GGAARO C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CCC[C@@](C)(CO)C3)CC2)cc1 ZINC000055154512 1406895168 /nfs/dbraw/zinc/89/51/68/1406895168.db2.gz MUHYQGKMRZXKFO-FDDCHVKYSA-N 1 0 385.552 3.265 50 0 GGAARO CC[NH+]1CCN(c2ncnc3c2oc2nc(C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002326530 1398307095 /nfs/dbraw/zinc/30/70/95/1398307095.db2.gz BLNIXLIKVZLMHB-UHFFFAOYSA-N 1 0 381.480 3.073 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2F)C1=O ZINC000002353355 1398307905 /nfs/dbraw/zinc/30/79/05/1398307905.db2.gz IDLMHKLJRPUPLV-ORMOWBNMSA-N 1 0 393.462 3.428 50 0 GGAARO COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCC[NH+](C)C ZINC000002406571 1398309810 /nfs/dbraw/zinc/30/98/10/1398309810.db2.gz LUJDKJRXGDUVRT-FQEVSTJZSA-N 1 0 392.455 3.299 50 0 GGAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccncc1 ZINC000002400661 1398309973 /nfs/dbraw/zinc/30/99/73/1398309973.db2.gz CSWOIXQECOOFHK-HXUWFJFHSA-N 1 0 391.471 3.465 50 0 GGAARO COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002408354 1398310436 /nfs/dbraw/zinc/31/04/36/1398310436.db2.gz ANEKXUGDROWEOJ-FQEVSTJZSA-N 1 0 392.455 3.299 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000002418818 1398310446 /nfs/dbraw/zinc/31/04/46/1398310446.db2.gz AJFXVFHGHAFORN-IBGZPJMESA-N 1 0 380.419 3.429 50 0 GGAARO CC(C)c1ccc(OCn2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2)cc1 ZINC000002800123 1398319671 /nfs/dbraw/zinc/31/96/71/1398319671.db2.gz XQPWLPARWKRVFN-YQQQUEKLSA-N 1 0 382.508 3.398 50 0 GGAARO Cc1ccc(S(=O)(=O)N(C[C@H](O)C[NH+](C)C)c2cccc3ccccc32)cc1 ZINC000002947287 1398322489 /nfs/dbraw/zinc/32/24/89/1398322489.db2.gz PCSWPDIPIXNRBP-LJQANCHMSA-N 1 0 398.528 3.266 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccnc1 ZINC000004271558 1398388093 /nfs/dbraw/zinc/38/80/93/1398388093.db2.gz HXVHCMDMCUHWLL-SFHVURJKSA-N 1 0 397.862 3.338 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccncc1 ZINC000004271592 1398388305 /nfs/dbraw/zinc/38/83/05/1398388305.db2.gz UXOIKKLVGGJQRR-LJQANCHMSA-N 1 0 395.434 3.214 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000004295980 1398390438 /nfs/dbraw/zinc/39/04/38/1398390438.db2.gz TYLJDQAACDTXGZ-AWEZNQCLSA-N 1 0 387.480 3.414 50 0 GGAARO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccnc2)C3=O)cc1F ZINC000011664966 1399003161 /nfs/dbraw/zinc/00/31/61/1399003161.db2.gz VFFWYECVKFUDQA-QFIPXVFZSA-N 1 0 383.467 3.244 50 0 GGAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc4cc(F)ccc4n3)C2)CC1 ZINC000011664898 1399003296 /nfs/dbraw/zinc/00/32/96/1399003296.db2.gz PLYJYEIYSFQMSN-GOSISDBHSA-N 1 0 398.526 3.140 50 0 GGAARO CSCCNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000011753601 1399010317 /nfs/dbraw/zinc/01/03/17/1399010317.db2.gz OSDLZPJOJBHEKX-UHFFFAOYSA-N 1 0 389.609 3.151 50 0 GGAARO O=C1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1CCOc1ccccc1 ZINC000011784578 1399012261 /nfs/dbraw/zinc/01/22/61/1399012261.db2.gz GSSQUBUEBOVQGZ-UHFFFAOYSA-N 1 0 390.487 3.190 50 0 GGAARO Cc1c(C(=O)NCc2ccsc2)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000011788096 1399012362 /nfs/dbraw/zinc/01/23/62/1399012362.db2.gz XGRPKNCZNAAUCY-UHFFFAOYSA-N 1 0 389.550 3.355 50 0 GGAARO COc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)cn1 ZINC000011814890 1399013743 /nfs/dbraw/zinc/01/37/43/1399013743.db2.gz KKODEXHDGHOJOZ-QFIPXVFZSA-N 1 0 386.540 3.270 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCn4cncn4)C3)C2)cc1 ZINC000011818797 1399014245 /nfs/dbraw/zinc/01/42/45/1399014245.db2.gz NDKDDIZNFQPMLJ-QHCPKHFHSA-N 1 0 395.551 3.306 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cnc(C)n4C)C3)C2)c1OC ZINC000011820227 1399014341 /nfs/dbraw/zinc/01/43/41/1399014341.db2.gz MCJUZYTZXJLJEM-HSZRJFAPSA-N 1 0 398.551 3.234 50 0 GGAARO CC[C@H]1CN(C(=O)c2ccc(NCc3ccncc3C)nc2)CC[N@@H+]1C(C)C ZINC000011820468 1399014653 /nfs/dbraw/zinc/01/46/53/1399014653.db2.gz RZJBKCAEGFXPBN-FQEVSTJZSA-N 1 0 381.524 3.342 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000011843508 1399015169 /nfs/dbraw/zinc/01/51/69/1399015169.db2.gz VUBBZBSFZRJMDA-AWEZNQCLSA-N 1 0 380.414 3.081 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccnn2C)CC1 ZINC000011840405 1399015257 /nfs/dbraw/zinc/01/52/57/1399015257.db2.gz MYTLDKFJZRUSKI-UHFFFAOYSA-N 1 0 398.551 3.439 50 0 GGAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc4ccccc4s3)c(=O)[nH]2)C1 ZINC000011869538 1399016057 /nfs/dbraw/zinc/01/60/57/1399016057.db2.gz AKXBBBIWBTYMRN-AWEZNQCLSA-N 1 0 396.516 3.147 50 0 GGAARO O=c1c(C[NH+]2CCC(O)CC2)cc2ccc(F)cc2n1CCOc1ccccc1 ZINC000011980196 1399022314 /nfs/dbraw/zinc/02/23/14/1399022314.db2.gz JPSXLCRWEBAAQJ-UHFFFAOYSA-N 1 0 396.462 3.176 50 0 GGAARO Cc1c([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)s2)cnn1-c1ccccc1 ZINC000012058466 1399026081 /nfs/dbraw/zinc/02/60/81/1399026081.db2.gz LDBWBGDPHIUSSF-OAHLLOKOSA-N 1 0 383.521 3.325 50 0 GGAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1C ZINC000012058042 1399026148 /nfs/dbraw/zinc/02/61/48/1399026148.db2.gz NCWLRNYGCOZQPR-QFIPXVFZSA-N 1 0 387.524 3.146 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012072645 1399026434 /nfs/dbraw/zinc/02/64/34/1399026434.db2.gz YHSQSAILHCGNSB-IBGZPJMESA-N 1 0 377.510 3.116 50 0 GGAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000012247328 1399034848 /nfs/dbraw/zinc/03/48/48/1399034848.db2.gz KBMIGYRBMUAWKU-MRXNPFEDSA-N 1 0 390.487 3.085 50 0 GGAARO CN(Cc1ccon1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012298231 1399036431 /nfs/dbraw/zinc/03/64/31/1399036431.db2.gz ATLNKWQLKNHBBZ-OAQYLSRUSA-N 1 0 387.524 3.311 50 0 GGAARO Cc1nonc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012299436 1399036755 /nfs/dbraw/zinc/03/67/55/1399036755.db2.gz OIXJTQVHBCXSLA-MRXNPFEDSA-N 1 0 376.888 3.058 50 0 GGAARO CC[NH+](CC)CCN(C)C(=O)c1cc(-c2cccc(C)c2)cc(-n2cnnn2)c1 ZINC000012279943 1399036926 /nfs/dbraw/zinc/03/69/26/1399036926.db2.gz OAAUHDVTMMYYAH-UHFFFAOYSA-N 1 0 392.507 3.052 50 0 GGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2ncc[nH]2)c1 ZINC000012301293 1399037327 /nfs/dbraw/zinc/03/73/27/1399037327.db2.gz WXWKQOAKXSLIFJ-UHFFFAOYSA-N 1 0 398.507 3.134 50 0 GGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccc(C)n4)C3)C2=O)c1 ZINC000012307463 1399038235 /nfs/dbraw/zinc/03/82/35/1399038235.db2.gz MBIXNKDLNMZTRS-QHCPKHFHSA-N 1 0 379.504 3.413 50 0 GGAARO O=C(c1coc(Cn2cnc3ccccc32)n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000012314992 1399038372 /nfs/dbraw/zinc/03/83/72/1399038372.db2.gz JXSOLSYFMKTYSN-UHFFFAOYSA-N 1 0 393.491 3.163 50 0 GGAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)CCn1cccn1 ZINC000012385395 1399040539 /nfs/dbraw/zinc/04/05/39/1399040539.db2.gz LSMQWXWOVNQMBA-UHFFFAOYSA-N 1 0 388.943 3.340 50 0 GGAARO O=C(c1ccc2n[nH]nc2c1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012429318 1399041994 /nfs/dbraw/zinc/04/19/94/1399041994.db2.gz ASIPBEYQHQXHOR-HSZRJFAPSA-N 1 0 389.503 3.129 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2ccccc2C(=O)OC)C1 ZINC000012448396 1399043945 /nfs/dbraw/zinc/04/39/45/1399043945.db2.gz DJHFIKFUWOXBBY-SFHVURJKSA-N 1 0 396.491 3.387 50 0 GGAARO Cc1ccc(-c2cnnc(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)n2)o1 ZINC000012572428 1399047606 /nfs/dbraw/zinc/04/76/06/1399047606.db2.gz QCZJDCGWVBIQAX-UHFFFAOYSA-N 1 0 375.476 3.467 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)Cn1ccc(C)n1 ZINC000012587683 1399048656 /nfs/dbraw/zinc/04/86/56/1399048656.db2.gz QIXDBPNJNWOAEB-UHFFFAOYSA-N 1 0 382.552 3.303 50 0 GGAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702025 1399053810 /nfs/dbraw/zinc/05/38/10/1399053810.db2.gz HGLOUMBKNWBSJR-NRFANRHFSA-N 1 0 388.943 3.460 50 0 GGAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(NCc2ccc3c(c2)OCO3)nc1 ZINC000012710146 1399054662 /nfs/dbraw/zinc/05/46/62/1399054662.db2.gz XBXQJNINVYIIPM-SFHVURJKSA-N 1 0 396.491 3.027 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1csc(C(C)=O)c1 ZINC000012708179 1399054949 /nfs/dbraw/zinc/05/49/49/1399054949.db2.gz TUGYIAVJDPFLIV-UHFFFAOYSA-N 1 0 391.581 3.219 50 0 GGAARO CN(C)c1ncc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)s1 ZINC000012745160 1399057461 /nfs/dbraw/zinc/05/74/61/1399057461.db2.gz ZNMPEKPXASHZSX-UHFFFAOYSA-N 1 0 375.538 3.253 50 0 GGAARO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)c1 ZINC000012836700 1399060846 /nfs/dbraw/zinc/06/08/46/1399060846.db2.gz GNAVUVWPZXWERZ-HSZRJFAPSA-N 1 0 380.536 3.176 50 0 GGAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014532116 1399110063 /nfs/dbraw/zinc/11/00/63/1399110063.db2.gz HNHINRQONJEKBX-UHFFFAOYSA-N 1 0 396.491 3.130 50 0 GGAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCCOC ZINC000014745252 1399117848 /nfs/dbraw/zinc/11/78/48/1399117848.db2.gz LSHKWVHATNWPPG-GOSISDBHSA-N 1 0 387.524 3.120 50 0 GGAARO O=C([C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000014744858 1399117849 /nfs/dbraw/zinc/11/78/49/1399117849.db2.gz QYJQAGKOVRWXIM-LEWJYISDSA-N 1 0 379.504 3.221 50 0 GGAARO O=C(NCCCc1ccncc1)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014888750 1399124499 /nfs/dbraw/zinc/12/44/99/1399124499.db2.gz BHAIRVRSAFPPHL-NRFANRHFSA-N 1 0 379.504 3.138 50 0 GGAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1c(F)ccc(F)c1F)CCO2 ZINC000014997572 1399130248 /nfs/dbraw/zinc/13/02/48/1399130248.db2.gz PHXVQTYYLDGIFG-NRFANRHFSA-N 1 0 394.437 3.268 50 0 GGAARO Cc1c(C(=O)NCC(C)C)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000014990996 1399130380 /nfs/dbraw/zinc/13/03/80/1399130380.db2.gz WWPNXELAWIMVCT-UHFFFAOYSA-N 1 0 375.542 3.283 50 0 GGAARO COC(=O)CCCNC(=O)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000015062963 1399135609 /nfs/dbraw/zinc/13/56/09/1399135609.db2.gz RADZCNHTKZPBNW-UHFFFAOYSA-N 1 0 388.508 3.155 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000015075172 1399136681 /nfs/dbraw/zinc/13/66/81/1399136681.db2.gz BUONXNHBMJYILL-MRXNPFEDSA-N 1 0 393.934 3.434 50 0 GGAARO O[C@H]1[C@H]([NH+]2CCSCC2)c2ccccc2C12CCN(c1ccccn1)CC2 ZINC000019147877 1399326543 /nfs/dbraw/zinc/32/65/43/1399326543.db2.gz QSMPNAGGSCKYRA-RTWAWAEBSA-N 1 0 381.545 3.084 50 0 GGAARO CC[C@H]1CN(C(=O)c2ccc(NCc3ncccc3C)nc2)CC[N@@H+]1C(C)C ZINC000019222484 1399328463 /nfs/dbraw/zinc/32/84/63/1399328463.db2.gz UGTWPOXRFTWUJI-IBGZPJMESA-N 1 0 381.524 3.342 50 0 GGAARO Cc1nc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3CC3CCOCC3)s2)n(C)n1 ZINC000019334817 1399329945 /nfs/dbraw/zinc/32/99/45/1399329945.db2.gz WIFURDLVBJYVSG-OAHLLOKOSA-N 1 0 389.525 3.001 50 0 GGAARO O=c1cc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)[nH]c2ccccc12 ZINC000019595321 1399331952 /nfs/dbraw/zinc/33/19/52/1399331952.db2.gz UPYDZPNCHNWULR-FQEVSTJZSA-N 1 0 383.536 3.389 50 0 GGAARO [NH3+]CC(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2cccc3cnccc32)s1 ZINC000019607912 1399332925 /nfs/dbraw/zinc/33/29/25/1399332925.db2.gz JNCCYODFGWRRDS-INIZCTEOSA-N 1 0 380.473 3.171 50 0 GGAARO CSc1cccc(NC(=O)c2ccc([C@H]3CCCN3C(=O)C[NH3+])s2)c1 ZINC000019721088 1399337541 /nfs/dbraw/zinc/33/75/41/1399337541.db2.gz UNRYOAROXKDVCX-CQSZACIVSA-N 1 0 375.519 3.345 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000019798863 1399338912 /nfs/dbraw/zinc/33/89/12/1399338912.db2.gz OGXJUXPNCJHBLB-MJGOQNOKSA-N 1 0 393.865 3.097 50 0 GGAARO C[NH+](C)CCCNC(=O)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000019793978 1399338942 /nfs/dbraw/zinc/33/89/42/1399338942.db2.gz HAEQHUUWWCSYAA-UHFFFAOYSA-N 1 0 376.460 3.198 50 0 GGAARO Cc1cccc(-c2ccc(N3CCC([NH+]4CCN(CCO)CC4)CC3)cc2)c1 ZINC000019838164 1399338947 /nfs/dbraw/zinc/33/89/47/1399338947.db2.gz MDLTVZXTEHVUOX-UHFFFAOYSA-N 1 0 379.548 3.241 50 0 GGAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000019925777 1399339309 /nfs/dbraw/zinc/33/93/09/1399339309.db2.gz WJERNBPESZSBEU-OAQYLSRUSA-N 1 0 381.476 3.041 50 0 GGAARO COCCc1ncc(CN(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000019842191 1399339327 /nfs/dbraw/zinc/33/93/27/1399339327.db2.gz UTGKRZSAPZGMKQ-JOCHJYFZSA-N 1 0 382.552 3.195 50 0 GGAARO O=C(NCc1ccoc1)c1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH]c(=O)c2)s1 ZINC000020109609 1399343161 /nfs/dbraw/zinc/34/31/61/1399343161.db2.gz ASJHISJYMGREAQ-MRXNPFEDSA-N 1 0 383.473 3.297 50 0 GGAARO CNc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)ccn1 ZINC000020206357 1399343714 /nfs/dbraw/zinc/34/37/14/1399343714.db2.gz DOFWGGDLEBWHQT-JOCHJYFZSA-N 1 0 382.483 3.391 50 0 GGAARO CSc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000020271752 1399344669 /nfs/dbraw/zinc/34/46/69/1399344669.db2.gz WDERRRPXGCFCFJ-KRWDZBQOSA-N 1 0 385.537 3.073 50 0 GGAARO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H]1CO ZINC000020454887 1399347306 /nfs/dbraw/zinc/34/73/06/1399347306.db2.gz LMNKUVDKDBJFFH-QMHWCDLVSA-N 1 0 394.494 3.155 50 0 GGAARO CCn1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)cn1 ZINC000020540789 1399348384 /nfs/dbraw/zinc/34/83/84/1399348384.db2.gz WIUKFUIEFWAQEX-HXUWFJFHSA-N 1 0 386.540 3.059 50 0 GGAARO CCN(C)c1cc(-c2cccc(-c3ccn(C[C@H]4CC[N@H+](C)C4)n3)c2)ncn1 ZINC000020540975 1399348477 /nfs/dbraw/zinc/34/84/77/1399348477.db2.gz ZQBDVZJBOOTCAJ-KRWDZBQOSA-N 1 0 376.508 3.415 50 0 GGAARO OCC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@@H+]1CC1CCCCC1 ZINC000020536962 1399348584 /nfs/dbraw/zinc/34/85/84/1399348584.db2.gz ZOAZCFNGJXUBOT-GOSISDBHSA-N 1 0 377.598 3.471 50 0 GGAARO CCn1cc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)cn1 ZINC000020540791 1399348727 /nfs/dbraw/zinc/34/87/27/1399348727.db2.gz WIUKFUIEFWAQEX-FQEVSTJZSA-N 1 0 386.540 3.059 50 0 GGAARO OCC[C@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@@H+]1CC1CCCCC1 ZINC000020536964 1399348849 /nfs/dbraw/zinc/34/88/49/1399348849.db2.gz ZOAZCFNGJXUBOT-SFHVURJKSA-N 1 0 377.598 3.471 50 0 GGAARO O=c1cc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)[nH]c2ccccc12 ZINC000020600829 1399350118 /nfs/dbraw/zinc/35/01/18/1399350118.db2.gz HJNQAPKUVOGDOH-NRFANRHFSA-N 1 0 391.515 3.052 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000020992900 1399359867 /nfs/dbraw/zinc/35/98/67/1399359867.db2.gz ICHBRYSPVRDDPW-HXUWFJFHSA-N 1 0 376.508 3.149 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000020992904 1399359899 /nfs/dbraw/zinc/35/98/99/1399359899.db2.gz ICHBRYSPVRDDPW-FQEVSTJZSA-N 1 0 376.508 3.149 50 0 GGAARO O[C@H]1C[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C[C@@H]1N1CCOCC1 ZINC000022852918 1399510645 /nfs/dbraw/zinc/51/06/45/1399510645.db2.gz DLOWNFAGILUXSW-SFTDATJTSA-N 1 0 388.895 3.010 50 0 GGAARO Cc1cccc(CN2CC[C@H]([NH+]3CCN(Cc4ccncc4)CC3)CCC2=O)c1 ZINC000022917824 1399516984 /nfs/dbraw/zinc/51/69/84/1399516984.db2.gz LXORQEVEIUOIOU-HSZRJFAPSA-N 1 0 392.547 3.089 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)c1 ZINC000022926179 1399517572 /nfs/dbraw/zinc/51/75/72/1399517572.db2.gz JMXRZGJLGSRJEV-QFIPXVFZSA-N 1 0 391.515 3.312 50 0 GGAARO c1cc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930634 1399518495 /nfs/dbraw/zinc/51/84/95/1399518495.db2.gz NNOYHYSFPZWVTJ-HXUWFJFHSA-N 1 0 399.560 3.259 50 0 GGAARO C[N@H+](CCc1cn[nH]c1)Cc1ccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)cc1 ZINC000023128462 1399534475 /nfs/dbraw/zinc/53/44/75/1399534475.db2.gz IHFASJOCPDXWET-UHFFFAOYSA-N 1 0 375.432 3.095 50 0 GGAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000023231485 1399542389 /nfs/dbraw/zinc/54/23/89/1399542389.db2.gz KCSVJXAZJIMPRZ-MRXNPFEDSA-N 1 0 396.516 3.293 50 0 GGAARO CC(C)c1noc(CC[NH2+]C2CCN(c3cccc(-c4cc[nH]n4)c3)CC2)n1 ZINC000023250548 1399544335 /nfs/dbraw/zinc/54/43/35/1399544335.db2.gz HKJHNZFQBOXWIE-UHFFFAOYSA-N 1 0 380.496 3.384 50 0 GGAARO Cc1cc(=O)[nH]c(CNC(=O)c2ccc([C@@H]3CCC[N@@H+]3C3CCCC3)s2)n1 ZINC000023250990 1399544385 /nfs/dbraw/zinc/54/43/85/1399544385.db2.gz UGJBSAVONKZEOE-HNNXBMFYSA-N 1 0 386.521 3.149 50 0 GGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000023338653 1399550603 /nfs/dbraw/zinc/55/06/03/1399550603.db2.gz DYBCPGRQQNCCLT-FQEVSTJZSA-N 1 0 390.487 3.117 50 0 GGAARO C[N@@H+]1CCCN(Cc2cccc(OC3CCN(C(=O)c4ccoc4)CC3)c2)CC1 ZINC000023339801 1399550799 /nfs/dbraw/zinc/55/07/99/1399550799.db2.gz QJWYMITXETZYNQ-UHFFFAOYSA-N 1 0 397.519 3.101 50 0 GGAARO CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1CNC[C@H]1CCC[N@@H+]1CC ZINC000023362869 1399553032 /nfs/dbraw/zinc/55/30/32/1399553032.db2.gz OMCNZSXUYNPKRP-QGZVFWFLSA-N 1 0 390.915 3.276 50 0 GGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([N@H+](C)CCc1cnn(C)c1)C3 ZINC000023380041 1399554536 /nfs/dbraw/zinc/55/45/36/1399554536.db2.gz VBQBYOCKJQOIPZ-INIZCTEOSA-N 1 0 399.564 3.023 50 0 GGAARO CC(C)c1cc(=O)[nH]c(-c2cccc(C[NH+]3CCC(CCC(N)=O)CC3)c2)n1 ZINC000023479237 1399563640 /nfs/dbraw/zinc/56/36/40/1399563640.db2.gz ZRSSLTGUDVKFLB-UHFFFAOYSA-N 1 0 382.508 3.038 50 0 GGAARO Cc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCC[C@@H](Oc4ccccn4)C3)c2)n1 ZINC000023581599 1399572345 /nfs/dbraw/zinc/57/23/45/1399572345.db2.gz DNSWYHDUTKYCMX-LJQANCHMSA-N 1 0 376.460 3.184 50 0 GGAARO COc1ccccc1N1C[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1=O ZINC000047452239 1404841858 /nfs/dbraw/zinc/84/18/58/1404841858.db2.gz YQSSXJKSGDIBSY-GOSISDBHSA-N 1 0 393.487 3.283 50 0 GGAARO C[N@@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1)CC1CCOCC1 ZINC000048121836 1405063508 /nfs/dbraw/zinc/06/35/08/1405063508.db2.gz WSBHWCBVGGJFIV-UHFFFAOYSA-N 1 0 390.487 3.357 50 0 GGAARO CCCc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C2CC2)C2CCN(C)CC2)n1 ZINC000048390812 1405176353 /nfs/dbraw/zinc/17/63/53/1405176353.db2.gz PNJGUQFNCUDKJJ-UHFFFAOYSA-N 1 0 380.536 3.448 50 0 GGAARO CCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057251239 1407568278 /nfs/dbraw/zinc/56/82/78/1407568278.db2.gz HIFILUHKFHZWDB-UHFFFAOYSA-N 1 0 382.533 3.232 50 0 GGAARO CCC[NH+]1CCC(N2CCn3nc(-c4nc5ccccc5n4C)cc3C2)CC1 ZINC000065419839 1408667165 /nfs/dbraw/zinc/66/71/65/1408667165.db2.gz PPBFDJLSURMCMO-UHFFFAOYSA-N 1 0 378.524 3.127 50 0 GGAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@H]3CCCN(Cc4cccnc4)C3)[nH]c12 ZINC000091595906 1410074271 /nfs/dbraw/zinc/07/42/71/1410074271.db2.gz RYSKTWXQLFJAFT-IBGZPJMESA-N 1 0 376.504 3.294 50 0 GGAARO c1nnc(C2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)[nH]1 ZINC000093646185 1410257926 /nfs/dbraw/zinc/25/79/26/1410257926.db2.gz XVFWVZQAZVTXFL-UHFFFAOYSA-N 1 0 385.475 3.432 50 0 GGAARO C[NH+](C)CCCn1cnc2cc(NC(=O)c3cc(-c4cccnc4)[nH]n3)ccc21 ZINC000096117729 1410324019 /nfs/dbraw/zinc/32/40/19/1410324019.db2.gz GIEINDBRQUEYLX-UHFFFAOYSA-N 1 0 389.463 3.025 50 0 GGAARO C[NH+](C)CCCn1cnc2cc(NC(=O)c3n[nH]c4c3CCCCC4)ccc21 ZINC000096230945 1410325579 /nfs/dbraw/zinc/32/55/79/1410325579.db2.gz FAHSREBDFPWOHA-UHFFFAOYSA-N 1 0 380.496 3.232 50 0 GGAARO Cc1n[nH]c(C)c1CCC(=O)Nc1ccc2c(c1)nc(C)n2CCC[NH+](C)C ZINC000096230746 1410325910 /nfs/dbraw/zinc/32/59/10/1410325910.db2.gz VWYDTHHJOARRCP-UHFFFAOYSA-N 1 0 382.512 3.208 50 0 GGAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096345213 1410327435 /nfs/dbraw/zinc/32/74/35/1410327435.db2.gz PPJSEGZYQGESOS-YLJYHZDGSA-N 1 0 380.492 3.006 50 0 GGAARO O=c1[nH]c(-c2ccc(CN3CCC[C@H]3c3nccs3)cc2)nc2c1C[NH2+]CC2 ZINC000096879112 1410337195 /nfs/dbraw/zinc/33/71/95/1410337195.db2.gz NJBTXVUDSNWIJH-SFHVURJKSA-N 1 0 393.516 3.289 50 0 GGAARO O=c1cc(C(F)F)nc(-c2ccccc2C[NH+]2CCC(Cn3ccnc3)CC2)[nH]1 ZINC000096879116 1410337248 /nfs/dbraw/zinc/33/72/48/1410337248.db2.gz LBZSYMINDBRDSI-UHFFFAOYSA-N 1 0 399.445 3.483 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@H]2CCO)c1 ZINC000104505151 1410897869 /nfs/dbraw/zinc/89/78/69/1410897869.db2.gz ZJHWCVJMSCDXSC-JOCHJYFZSA-N 1 0 391.515 3.312 50 0 GGAARO O=C(CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 ZINC000198781945 1433351132 /nfs/dbraw/zinc/35/11/32/1433351132.db2.gz WPFWJPKSUIIVBS-UHFFFAOYSA-N 1 0 376.863 3.021 50 0 GGAARO O=C(N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000225685295 1433367712 /nfs/dbraw/zinc/36/77/12/1433367712.db2.gz OLMKKCCIAWJEIF-HSZRJFAPSA-N 1 0 390.527 3.394 50 0 GGAARO COc1ccc(/C=C/C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000225686539 1433367777 /nfs/dbraw/zinc/36/77/77/1433367777.db2.gz YOTWMUARGHPGLT-ZQAUEJBPSA-N 1 0 392.499 3.376 50 0 GGAARO COc1ccc(/C=C/C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000225686515 1433367804 /nfs/dbraw/zinc/36/78/04/1433367804.db2.gz YOTWMUARGHPGLT-DJGBTNNQSA-N 1 0 392.499 3.376 50 0 GGAARO COc1ccccc1CC(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 ZINC000225739412 1433367899 /nfs/dbraw/zinc/36/78/99/1433367899.db2.gz XYTVWDIOZBCYBB-UHFFFAOYSA-N 1 0 394.519 3.000 50 0 GGAARO CCn1cccc1-c1noc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000225769634 1433368085 /nfs/dbraw/zinc/36/80/85/1433368085.db2.gz QOPXJJBDUPTVFU-UHFFFAOYSA-N 1 0 393.491 3.474 50 0 GGAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000230208975 1433372640 /nfs/dbraw/zinc/37/26/40/1433372640.db2.gz YHPWCOWFBXAUTA-AEFFLSMTSA-N 1 0 398.507 3.088 50 0 biogenic GGAARO O=C(CCCc1nc(-c2ccccc2)no1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230202867 1433372673 /nfs/dbraw/zinc/37/26/73/1433372673.db2.gz BUDHMTPSPADVKZ-MOPGFXCFSA-N 1 0 382.508 3.440 50 0 biogenic GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000230206914 1433372681 /nfs/dbraw/zinc/37/26/81/1433372681.db2.gz COHMKRIXOONGBH-BQFCYCMXSA-N 1 0 389.927 3.074 50 0 biogenic GGAARO O=C(c1ccc2nccnc2c1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000238897030 1433445541 /nfs/dbraw/zinc/44/55/41/1433445541.db2.gz RDIPCQRMBMVGHZ-UHFFFAOYSA-N 1 0 378.501 3.354 50 0 GGAARO C[C@@H]1C[N@H+](CCC(=O)N(C)C[C@H]2CCCCO2)Cc2cc(Cl)ccc2O1 ZINC000248070920 1433767860 /nfs/dbraw/zinc/76/78/60/1433767860.db2.gz AWOKLVSTISWTQT-CRAIPNDOSA-N 1 0 380.916 3.341 50 0 GGAARO C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccccc1Cl ZINC000192143636 231028435 /nfs/dbraw/zinc/02/84/35/231028435.db2.gz JGGBASIEQNENNZ-INIZCTEOSA-N 1 0 378.948 3.070 50 0 GGAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000426409571 231216859 /nfs/dbraw/zinc/21/68/59/231216859.db2.gz XCBXOGIYWRIRFQ-QGZVFWFLSA-N 1 0 378.501 3.330 50 0 GGAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000426409565 231217032 /nfs/dbraw/zinc/21/70/32/231217032.db2.gz XCBXOGIYWRIRFQ-KRWDZBQOSA-N 1 0 378.501 3.330 50 0 GGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000409414777 231203340 /nfs/dbraw/zinc/20/33/40/231203340.db2.gz WRVCFCAGGBWLAG-VQIMIIECSA-N 1 0 386.496 3.023 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409414906 231203388 /nfs/dbraw/zinc/20/33/88/231203388.db2.gz YMOPELVKFMIKIS-RXVVDRJESA-N 1 0 390.572 3.351 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1cn(C)c2ccccc12 ZINC000409414513 231203566 /nfs/dbraw/zinc/20/35/66/231203566.db2.gz TUPVDPOEUSHURR-SIKLNZKXSA-N 1 0 397.563 3.460 50 0 biogenic GGAARO Cc1ccccc1[C@H](NC(=O)c1cc(F)ccc1OCC[NH3+])c1ccncc1 ZINC000426442093 231221942 /nfs/dbraw/zinc/22/19/42/231221942.db2.gz XRSVGTGQZTVTKQ-OAQYLSRUSA-N 1 0 379.435 3.386 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414549 231203801 /nfs/dbraw/zinc/20/38/01/231203801.db2.gz MJDYLKVEQWCGOC-GHTZIAJQSA-N 1 0 390.572 3.351 50 0 biogenic GGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000409414770 231203920 /nfs/dbraw/zinc/20/39/20/231203920.db2.gz WRVCFCAGGBWLAG-APWZRJJASA-N 1 0 386.496 3.023 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1c(C)noc1C ZINC000409415089 231204221 /nfs/dbraw/zinc/20/42/21/231204221.db2.gz STZWUXKYVLLCRB-PZJWPPBQSA-N 1 0 391.556 3.354 50 0 biogenic GGAARO Cc1n[nH]c(C)c1CCN(C)C(=O)NCCC1CC[NH+](C2CCCC2)CC1 ZINC000426368305 231208728 /nfs/dbraw/zinc/20/87/28/231208728.db2.gz MHZXZVLTDAHXQV-UHFFFAOYSA-N 1 0 375.561 3.255 50 0 GGAARO Cc1ccc(-c2ccc(C(=O)N3CC[C@H](N4CC[NH+](C)CC4)C3)cc2)cc1F ZINC000426388170 231212268 /nfs/dbraw/zinc/21/22/68/231212268.db2.gz OLQQOCVSRLXUNO-NRFANRHFSA-N 1 0 381.495 3.263 50 0 GGAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000426471322 231224788 /nfs/dbraw/zinc/22/47/88/231224788.db2.gz HQJQAHRBSFTTKT-IBGZPJMESA-N 1 0 382.508 3.126 50 0 GGAARO O=C(NCc1nc2cc(Cl)ccc2[nH]1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000426484920 231225870 /nfs/dbraw/zinc/22/58/70/231225870.db2.gz VRKMQJPSULLMCL-CQSZACIVSA-N 1 0 375.904 3.234 50 0 GGAARO O=C(NCc1nc2cc(Cl)ccc2[nH]1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000426484919 231226317 /nfs/dbraw/zinc/22/63/17/231226317.db2.gz VRKMQJPSULLMCL-AWEZNQCLSA-N 1 0 375.904 3.234 50 0 GGAARO O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CC[NH+](CC2CCC2)CC1 ZINC000426486134 231227033 /nfs/dbraw/zinc/22/70/33/231227033.db2.gz KQEXCLUMFWXLMQ-OAQYLSRUSA-N 1 0 382.483 3.437 50 0 GGAARO CO[C@]12CC[N@H+](Cc3cnc(N(C)C)s3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426506677 231231402 /nfs/dbraw/zinc/23/14/02/231231402.db2.gz NQYHSRHMEDILIU-RIFZZMRRSA-N 1 0 388.537 3.195 50 0 GGAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc(O)c(F)c3)c2)C1 ZINC000426589865 231244175 /nfs/dbraw/zinc/24/41/75/231244175.db2.gz ZCKNPVBTJQDYAM-MRXNPFEDSA-N 1 0 386.467 3.287 50 0 GGAARO CO[C@]12CC[N@H+](CCCn3nc(C)cc3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426602561 231245087 /nfs/dbraw/zinc/24/50/87/231245087.db2.gz VBQUPIWBRMMSFY-JAXLGGSGSA-N 1 0 384.524 3.376 50 0 GGAARO Cc1cccnc1-c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000426444386 231223886 /nfs/dbraw/zinc/22/38/86/231223886.db2.gz CKLALAQBWFHFFE-IBGZPJMESA-N 1 0 379.504 3.241 50 0 GGAARO CSc1cccc(CNC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000426647900 231249217 /nfs/dbraw/zinc/24/92/17/231249217.db2.gz JGKOJCYKUKGIDM-GOSISDBHSA-N 1 0 377.554 3.195 50 0 GGAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(CSCCO)cc3)cc2)C1 ZINC000426689888 231252849 /nfs/dbraw/zinc/25/28/49/231252849.db2.gz PWFSLPLJYUAPDG-OAQYLSRUSA-N 1 0 384.545 3.355 50 0 GGAARO Cc1nnc(-c2ccc(-c3ccc(C(=O)N(C)[C@@H]4CC[N@H+](C)C4)cc3)cc2)o1 ZINC000426693705 231253009 /nfs/dbraw/zinc/25/30/09/231253009.db2.gz JKMPIMMTMXPSFE-HXUWFJFHSA-N 1 0 376.460 3.488 50 0 GGAARO COc1cc2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n(C)c2cc1OC ZINC000504533391 231325031 /nfs/dbraw/zinc/32/50/31/231325031.db2.gz QOJNPOIRHXXSKM-WBVHZDCISA-N 1 0 385.508 3.190 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CC[N@@H+](CC)C4)csc3C2)nc1 ZINC000426515470 529644251 /nfs/dbraw/zinc/64/42/51/529644251.db2.gz CWDPCNXNZUTWCP-GOSISDBHSA-N 1 0 398.576 3.088 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCC[N@H+](C)C4)csc3C2)nc1 ZINC000426477243 529644578 /nfs/dbraw/zinc/64/45/78/529644578.db2.gz QAZSTKUGYBPIBJ-SFHVURJKSA-N 1 0 398.576 3.088 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)NCC[NH+]4CCCC4)csc3C2)nc1 ZINC000426382876 529645027 /nfs/dbraw/zinc/64/50/27/529645027.db2.gz FZTTULHDDRWGNT-UHFFFAOYSA-N 1 0 398.576 3.089 50 0 GGAARO CCc1nccn1CCCNC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000426667441 529759698 /nfs/dbraw/zinc/75/96/98/529759698.db2.gz KKJWKBHHGOEZJX-UHFFFAOYSA-N 1 0 383.540 3.142 50 0 GGAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000426574923 529970467 /nfs/dbraw/zinc/97/04/67/529970467.db2.gz MNDDNCWDXSCGFI-QGZVFWFLSA-N 1 0 395.482 3.366 50 0 GGAARO CN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194412603 529991611 /nfs/dbraw/zinc/99/16/11/529991611.db2.gz BKOJETZNPDVRJA-IBGZPJMESA-N 1 0 381.476 3.079 50 0 GGAARO CN(Cc1noc(C2CC2)n1)C(=O)NCC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426578859 530031944 /nfs/dbraw/zinc/03/19/44/530031944.db2.gz RYZCRFGCWLPENB-QGZVFWFLSA-N 1 0 375.517 3.276 50 0 GGAARO CCc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000002966316 203977669 /nfs/dbraw/zinc/97/76/69/203977669.db2.gz MLBPKHWZMXFYEO-HSZRJFAPSA-N 1 0 379.480 3.280 50 0 GGAARO C[NH+](C)CCN(C(=O)Cc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000004359347 204040705 /nfs/dbraw/zinc/04/07/05/204040705.db2.gz REIXCLNWCNNHCE-UHFFFAOYSA-N 1 0 397.500 3.205 50 0 GGAARO C[NH+]1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 ZINC000003818355 204020295 /nfs/dbraw/zinc/02/02/95/204020295.db2.gz XEDHVZKDSYZQBF-UHFFFAOYSA-N 1 0 377.366 3.276 50 0 investigational GGAARO Cc1ccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)cc1 ZINC000004086852 204026909 /nfs/dbraw/zinc/02/69/09/204026909.db2.gz MLCMGKGLRMEHJK-QHCPKHFHSA-N 1 0 379.480 3.417 50 0 GGAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000004177173 204031303 /nfs/dbraw/zinc/03/13/03/204031303.db2.gz BXGOTBABQFFIJD-KRWDZBQOSA-N 1 0 390.524 3.327 50 0 GGAARO O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)N1CC[NH2+]CC1 ZINC000004178471 204031437 /nfs/dbraw/zinc/03/14/37/204031437.db2.gz WRUQAGHWILNPLR-INIZCTEOSA-N 1 0 389.293 3.109 50 0 GGAARO c1ccc(N2CC[NH+](C3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000004199083 204032917 /nfs/dbraw/zinc/03/29/17/204032917.db2.gz QWDDEWJWJJNIPN-UHFFFAOYSA-N 1 0 379.504 3.202 50 0 GGAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4cccnc4)CC3)CC2)c1C ZINC000004707028 204066693 /nfs/dbraw/zinc/06/66/93/204066693.db2.gz MQBBVVXEJRSOGR-UHFFFAOYSA-N 1 0 392.547 3.259 50 0 GGAARO O=C1C[C@@H](N2CCC(c3ccncc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004707978 204066736 /nfs/dbraw/zinc/06/67/36/204066736.db2.gz HQRBWMQRKQUBPI-GOSISDBHSA-N 1 0 387.842 3.386 50 0 GGAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)Cc2ccccc2)c1 ZINC000004711739 204068508 /nfs/dbraw/zinc/06/85/08/204068508.db2.gz MBZATXRLUHQFQB-UHFFFAOYSA-N 1 0 395.503 3.186 50 0 GGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2C)CC1 ZINC000004711704 204068565 /nfs/dbraw/zinc/06/85/65/204068565.db2.gz PSWQVOGQRGWODI-UHFFFAOYSA-N 1 0 381.476 3.176 50 0 GGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000004725062 204069735 /nfs/dbraw/zinc/06/97/35/204069735.db2.gz OPXBVBURIYYMJK-CQSZACIVSA-N 1 0 397.313 3.361 50 0 GGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(C)c2)CC1 ZINC000004739182 204070934 /nfs/dbraw/zinc/07/09/34/204070934.db2.gz KOIMCHCADQFCGO-UHFFFAOYSA-N 1 0 381.476 3.176 50 0 GGAARO CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004778484 204076247 /nfs/dbraw/zinc/07/62/47/204076247.db2.gz PYQYWVVSOIKLHN-NYXFWSSLSA-N 1 0 393.616 3.438 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000004837362 204080295 /nfs/dbraw/zinc/08/02/95/204080295.db2.gz UVLGBEOLPJWMGW-UONOGXRCSA-N 1 0 387.480 3.412 50 0 GGAARO COc1ccc(-c2ccc(C[NH2+]CCSc3nnnn3C)o2)cc1Cl ZINC000004488464 204046605 /nfs/dbraw/zinc/04/66/05/204046605.db2.gz AAVSDDLCHZTHGB-UHFFFAOYSA-N 1 0 379.873 3.014 50 0 GGAARO O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccccc1F ZINC000004624932 204058341 /nfs/dbraw/zinc/05/83/41/204058341.db2.gz NUNBWEGFWHOIAK-LJQANCHMSA-N 1 0 392.434 3.214 50 0 GGAARO O=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCC[NH+]1CCCC1 ZINC000004680523 204063675 /nfs/dbraw/zinc/06/36/75/204063675.db2.gz XGSAQYLWVGNTLG-UHFFFAOYSA-N 1 0 381.476 3.410 50 0 GGAARO CC(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000005260761 204121739 /nfs/dbraw/zinc/12/17/39/204121739.db2.gz GGZFOKCZSFVBDK-UHFFFAOYSA-N 1 0 386.883 3.303 50 0 GGAARO CCOc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccc(C)cc23)C1=O ZINC000005274897 204122769 /nfs/dbraw/zinc/12/27/69/204122769.db2.gz VJYQJIFOEVYULM-LJQANCHMSA-N 1 0 391.471 3.339 50 0 GGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004940389 204094381 /nfs/dbraw/zinc/09/43/81/204094381.db2.gz JAVSMYKUOWDAHD-GOSISDBHSA-N 1 0 377.444 3.381 50 0 GGAARO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC000005045797 204106093 /nfs/dbraw/zinc/10/60/93/204106093.db2.gz AZRAEMYPZKXDCD-UHFFFAOYSA-N 1 0 397.519 3.012 50 0 GGAARO CCOc1cc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)ccc1O ZINC000005712254 204147924 /nfs/dbraw/zinc/14/79/24/204147924.db2.gz MDFGRJRTSBDLCK-UHFFFAOYSA-N 1 0 382.504 3.362 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccncc1 ZINC000005967766 204159484 /nfs/dbraw/zinc/15/94/84/204159484.db2.gz DZDZIGMZMMGQPN-LJQANCHMSA-N 1 0 377.444 3.075 50 0 GGAARO COc1ccccc1OCCC[NH2+]C[C@@H](O)COc1cc(C)c(O)c(C)c1C ZINC000005679073 204145756 /nfs/dbraw/zinc/14/57/56/204145756.db2.gz UMURJVHZGQKZFE-GOSISDBHSA-N 1 0 389.492 3.124 50 0 GGAARO COc1ccccc1OCCC[NH2+]C[C@H](O)COc1cc(C)c(O)c(C)c1C ZINC000005679082 204146045 /nfs/dbraw/zinc/14/60/45/204146045.db2.gz UMURJVHZGQKZFE-SFHVURJKSA-N 1 0 389.492 3.124 50 0 GGAARO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000006849573 204214925 /nfs/dbraw/zinc/21/49/25/204214925.db2.gz LXDUPBWILSTEEG-YPMHNXCESA-N 1 0 396.167 3.119 50 0 GGAARO O[C@]1(c2ccccc2OC(F)F)CN2CCCSC2=[N+]1c1ccccc1 ZINC000006240795 204172169 /nfs/dbraw/zinc/17/21/69/204172169.db2.gz ZAJCMUDCMFEUJL-IBGZPJMESA-N 1 0 377.436 3.459 50 0 GGAARO Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006660146 204189000 /nfs/dbraw/zinc/18/90/00/204189000.db2.gz UFFNQIUMTFKHKW-AWEZNQCLSA-N 1 0 386.492 3.294 50 0 biogenic GGAARO COc1ccc(-c2nc3c4c(C)c(C)n(CCC[NH+](C)C)c4ncn3n2)cc1 ZINC000006661192 204190746 /nfs/dbraw/zinc/19/07/46/204190746.db2.gz IGTFNXGKTXOLTK-UHFFFAOYSA-N 1 0 378.480 3.323 50 0 GGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000006700819 204193428 /nfs/dbraw/zinc/19/34/28/204193428.db2.gz DSCBJJPGMYTABM-UHFFFAOYSA-N 1 0 381.476 3.094 50 0 GGAARO COc1ccc2cc(S(=O)(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000006747304 204198472 /nfs/dbraw/zinc/19/84/72/204198472.db2.gz MXTYZDLGGBHMKJ-UHFFFAOYSA-N 1 0 376.522 3.436 50 0 GGAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540392 204242278 /nfs/dbraw/zinc/24/22/78/204242278.db2.gz XXPYZCFSHNCBMF-UHFFFAOYSA-N 1 0 381.480 3.304 50 0 GGAARO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000007686996 204246454 /nfs/dbraw/zinc/24/64/54/204246454.db2.gz UVJISYHBNXUNMV-OAHLLOKOSA-N 1 0 390.505 3.341 50 0 GGAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1 ZINC000008570171 204279920 /nfs/dbraw/zinc/27/99/20/204279920.db2.gz AECSWLKMWFZXCG-LJQANCHMSA-N 1 0 397.862 3.294 50 0 GGAARO COc1ccc([C@@H](CNC(=O)COc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000008867653 204291908 /nfs/dbraw/zinc/29/19/08/204291908.db2.gz SDOFLRLQKIQFRM-HXUWFJFHSA-N 1 0 398.503 3.426 50 0 GGAARO CCC[NH+]1CCC(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000008130540 204262595 /nfs/dbraw/zinc/26/25/95/204262595.db2.gz YAKDOBBEJLMLTE-UHFFFAOYSA-N 1 0 378.513 3.487 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000009194405 204302203 /nfs/dbraw/zinc/30/22/03/204302203.db2.gz FGLZIDJKOBWGQR-UHFFFAOYSA-N 1 0 389.912 3.324 50 0 GGAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]C)cc21 ZINC000009970641 204326922 /nfs/dbraw/zinc/32/69/22/204326922.db2.gz HUAZUAJOIPJOIX-SFHVURJKSA-N 1 0 396.487 3.383 50 0 GGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000010544032 204335626 /nfs/dbraw/zinc/33/56/26/204335626.db2.gz RHXPYLXXCXAYRG-OKILXGFUSA-N 1 0 389.359 3.095 50 0 GGAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000011667873 204349436 /nfs/dbraw/zinc/34/94/36/204349436.db2.gz BZVRUCFAYXHIIZ-GOSISDBHSA-N 1 0 397.519 3.407 50 0 GGAARO COc1ccc2nc(N3CCC([NH2+][C@@H]4CCOC(C)(C)C4)CC3)nc(C)c2c1 ZINC000011786396 204352346 /nfs/dbraw/zinc/35/23/46/204352346.db2.gz HENCVMFYMKXYHN-QGZVFWFLSA-N 1 0 384.524 3.463 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)nn1 ZINC000011788940 204352665 /nfs/dbraw/zinc/35/26/65/204352665.db2.gz XONDRKGMHCLBCI-GOSISDBHSA-N 1 0 380.496 3.079 50 0 GGAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCCn1ccnc1 ZINC000011785027 204352838 /nfs/dbraw/zinc/35/28/38/204352838.db2.gz QACZAKUXQMCJGL-SFHVURJKSA-N 1 0 394.441 3.463 50 0 GGAARO O=C1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1F ZINC000011784504 204352939 /nfs/dbraw/zinc/35/29/39/204352939.db2.gz VDQOTFYOLSEBDO-UHFFFAOYSA-N 1 0 378.451 3.450 50 0 GGAARO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccccc2-c2ccco2)CC1 ZINC000011753821 204352997 /nfs/dbraw/zinc/35/29/97/204352997.db2.gz MVXKOXUITSOYOK-UHFFFAOYSA-N 1 0 390.487 3.300 50 0 GGAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](CCO)CC1)C1CC1 ZINC000011782276 204353214 /nfs/dbraw/zinc/35/32/14/204353214.db2.gz UEBNYMUAFDQIBU-QHCPKHFHSA-N 1 0 393.531 3.002 50 0 GGAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](CCCn2cccn2)C1 ZINC000011817641 204353657 /nfs/dbraw/zinc/35/36/57/204353657.db2.gz ZZYTYYIZEBJLLW-QFIPXVFZSA-N 1 0 385.508 3.388 50 0 GGAARO O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000011816162 204353945 /nfs/dbraw/zinc/35/39/45/204353945.db2.gz VUKWBYZWUBFIBT-YRNVUSSQSA-N 1 0 393.535 3.472 50 0 GGAARO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)c1OC ZINC000011814288 204354225 /nfs/dbraw/zinc/35/42/25/204354225.db2.gz VVNLVUPNGXDNRR-HNNXBMFYSA-N 1 0 378.538 3.041 50 0 GGAARO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c(=O)[nH]1 ZINC000011818261 204354366 /nfs/dbraw/zinc/35/43/66/204354366.db2.gz XTMMWWFUPKAWFF-JOCHJYFZSA-N 1 0 383.467 3.363 50 0 GGAARO CC[C@@H](C)CNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000011821243 204355054 /nfs/dbraw/zinc/35/50/54/204355054.db2.gz JYKBEXYKQYFNIW-GOSISDBHSA-N 1 0 386.584 3.229 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1cccnc1 ZINC000011820825 204356019 /nfs/dbraw/zinc/35/60/19/204356019.db2.gz ODRXSVQOXDEEIN-JOCHJYFZSA-N 1 0 395.547 3.436 50 0 GGAARO COC1CC[NH+](Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)CC1 ZINC000011819337 204356316 /nfs/dbraw/zinc/35/63/16/204356316.db2.gz YXQIXHIBMGBVIS-UHFFFAOYSA-N 1 0 384.524 3.270 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)Cc2ccncc2)CC1 ZINC000011843849 204356958 /nfs/dbraw/zinc/35/69/58/204356958.db2.gz VHAQYQTZTSOCQC-UHFFFAOYSA-N 1 0 381.520 3.046 50 0 GGAARO Cc1c([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)cnn1C ZINC000011844407 204357315 /nfs/dbraw/zinc/35/73/15/204357315.db2.gz BKJVLSMPIJFXSV-LRQRDZAKSA-N 1 0 384.911 3.320 50 0 GGAARO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccc4c3OCO4)[N@@H+]3CCC[C@@]123 ZINC000011843573 204357464 /nfs/dbraw/zinc/35/74/64/204357464.db2.gz PBPHRLRYKNECGM-WXVUKLJWSA-N 1 0 390.483 3.396 50 0 GGAARO Cn1cc(C[NH2+]CCN2CCNC2=O)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011844101 204357773 /nfs/dbraw/zinc/35/77/73/204357773.db2.gz NICGWLVBGRDSNR-UHFFFAOYSA-N 1 0 381.524 3.250 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)[nH]c1 ZINC000011840661 204357925 /nfs/dbraw/zinc/35/79/25/204357925.db2.gz JVOKLVRBPSTAAT-KRWDZBQOSA-N 1 0 387.911 3.467 50 0 GGAARO CCC[NH+]1CCC(NC(=O)CCc2nnc(CCCc3ccccc3)o2)CC1 ZINC000011843183 204358155 /nfs/dbraw/zinc/35/81/55/204358155.db2.gz CBSRKSUKTATKBE-UHFFFAOYSA-N 1 0 384.524 3.168 50 0 GGAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000011878580 204359105 /nfs/dbraw/zinc/35/91/05/204359105.db2.gz YJIZJIIIWZEXDQ-GOSISDBHSA-N 1 0 375.944 3.046 50 0 GGAARO COC(=O)Cn1c2cc(Cl)ccc2cc(C[N@H+](C)Cc2ccccc2)c1=O ZINC000011868930 204359129 /nfs/dbraw/zinc/35/91/29/204359129.db2.gz CLGFAVJYRMOROA-UHFFFAOYSA-N 1 0 384.863 3.460 50 0 GGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1C[C@H]1COc2ccccc2O1 ZINC000011911401 204361182 /nfs/dbraw/zinc/36/11/82/204361182.db2.gz HHLGVIFHWCGCNV-OALUTQOASA-N 1 0 384.451 3.136 50 0 GGAARO COCCOC1CC[NH+](Cc2nc(-c3cc(OC)ccc3OC)oc2C)CC1 ZINC000011934870 204361785 /nfs/dbraw/zinc/36/17/85/204361785.db2.gz JLWDJYSGLOBIGN-UHFFFAOYSA-N 1 0 390.480 3.295 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000011935005 204362511 /nfs/dbraw/zinc/36/25/11/204362511.db2.gz QXIOVZZAHACGTO-FQEVSTJZSA-N 1 0 389.503 3.046 50 0 GGAARO O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000011934603 204362825 /nfs/dbraw/zinc/36/28/25/204362825.db2.gz JAHXVDICRJQHQH-OAQYLSRUSA-N 1 0 390.491 3.088 50 0 GGAARO CCOc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000011933105 204362872 /nfs/dbraw/zinc/36/28/72/204362872.db2.gz DZZPTTFYCYNJGQ-IBGZPJMESA-N 1 0 385.552 3.040 50 0 GGAARO CN(C(=O)c1cc(-c2cccn2C)n[nH]1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011933701 204362984 /nfs/dbraw/zinc/36/29/84/204362984.db2.gz HDHNMLHQALDHIT-IBGZPJMESA-N 1 0 391.519 3.194 50 0 GGAARO CN(C(=O)c1cn(Cc2ccccc2Cl)nn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011934825 204363106 /nfs/dbraw/zinc/36/31/06/204363106.db2.gz MXHZKNZZRAZAJZ-UHFFFAOYSA-N 1 0 389.931 3.361 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000011938328 204363535 /nfs/dbraw/zinc/36/35/35/204363535.db2.gz NBTSYEOXIKTURS-LJQANCHMSA-N 1 0 375.476 3.152 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCc2cccnc2)Cc2ccccc2C1 ZINC000011937136 204363624 /nfs/dbraw/zinc/36/36/24/204363624.db2.gz VQANROOHHSVGMP-UHFFFAOYSA-N 1 0 385.511 3.410 50 0 GGAARO COC(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000011945501 204363989 /nfs/dbraw/zinc/36/39/89/204363989.db2.gz LSZRCFGKJQRCHK-OAQYLSRUSA-N 1 0 380.488 3.252 50 0 GGAARO CN(C)C(=O)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011947937 204364019 /nfs/dbraw/zinc/36/40/19/204364019.db2.gz SAFBYYCHYFLWLY-QFIPXVFZSA-N 1 0 377.573 3.140 50 0 GGAARO COc1ccc(C2(C(=O)N[C@@H]3CCCN(C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000011956794 204364449 /nfs/dbraw/zinc/36/44/49/204364449.db2.gz XAGKBHDLXGPFAH-HXUWFJFHSA-N 1 0 399.579 3.182 50 0 GGAARO Cc1csc(SCC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000011951376 204364555 /nfs/dbraw/zinc/36/45/55/204364555.db2.gz AGDBAXIMNRGBBB-QGZVFWFLSA-N 1 0 375.563 3.367 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCn2ccc(C)n2)C1 ZINC000011955670 204364995 /nfs/dbraw/zinc/36/49/95/204364995.db2.gz FTLBGKXPBPOVHQ-HXUWFJFHSA-N 1 0 398.551 3.003 50 0 GGAARO CN(C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)[C@H]1CC[N@H+](C)C1 ZINC000011948057 204365187 /nfs/dbraw/zinc/36/51/87/204365187.db2.gz KTCMKGMPTHNCBW-ZDUSSCGKSA-N 1 0 383.370 3.049 50 0 GGAARO CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)CC1 ZINC000011998294 204365318 /nfs/dbraw/zinc/36/53/18/204365318.db2.gz IIZRYZQEVJAWLK-SFHVURJKSA-N 1 0 388.552 3.420 50 0 GGAARO COc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccoc3)O2)CC1 ZINC000011996475 204365388 /nfs/dbraw/zinc/36/53/88/204365388.db2.gz FZARBNWQENJUAP-IBGZPJMESA-N 1 0 384.476 3.232 50 0 GGAARO COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2)cc1OC ZINC000011980649 204365711 /nfs/dbraw/zinc/36/57/11/204365711.db2.gz PYMAHJTZUCOZRZ-FQEVSTJZSA-N 1 0 382.504 3.417 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCN3CCCCC3=O)C2)cc1 ZINC000012000009 204365757 /nfs/dbraw/zinc/36/57/57/204365757.db2.gz XURYBHLZXVQQPK-JOCHJYFZSA-N 1 0 399.579 3.368 50 0 GGAARO CCC(=O)N(Cc1cccnc1)Cc1ccc(OC)c(OCCC[NH+](C)C)c1 ZINC000011979209 204365823 /nfs/dbraw/zinc/36/58/23/204365823.db2.gz FUISRCJIUQUEBP-UHFFFAOYSA-N 1 0 385.508 3.360 50 0 GGAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H]2COc3ccccc3O2)cc1 ZINC000011966747 204365958 /nfs/dbraw/zinc/36/59/58/204365958.db2.gz CPLPDHIPMMHGNR-ICSRJNTNSA-N 1 0 396.487 3.006 50 0 GGAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)c1 ZINC000011999251 204366054 /nfs/dbraw/zinc/36/60/54/204366054.db2.gz VOSDFSYZYZATBZ-OAHLLOKOSA-N 1 0 389.521 3.111 50 0 GGAARO COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccc2)cc1OC ZINC000011980644 204366114 /nfs/dbraw/zinc/36/61/14/204366114.db2.gz PYMAHJTZUCOZRZ-HXUWFJFHSA-N 1 0 382.504 3.417 50 0 GGAARO CC[NH+](CC)CCN(C)C(=O)c1cc(-c2ccc(C)s2)cc(-n2cnnn2)c1 ZINC000011978671 204366442 /nfs/dbraw/zinc/36/64/42/204366442.db2.gz NIXLGFORQBWDTQ-UHFFFAOYSA-N 1 0 398.536 3.113 50 0 GGAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H]2COc3ccccc3O2)cc1 ZINC000011966753 204366524 /nfs/dbraw/zinc/36/65/24/204366524.db2.gz CPLPDHIPMMHGNR-QUCCMNQESA-N 1 0 396.487 3.006 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012025615 204366874 /nfs/dbraw/zinc/36/68/74/204366874.db2.gz RHUBRDIPDKEHKC-NRFANRHFSA-N 1 0 382.552 3.135 50 0 GGAARO Cc1noc(C)c1CC(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012025117 204367244 /nfs/dbraw/zinc/36/72/44/204367244.db2.gz KBFOUDBSIWKBPY-UHFFFAOYSA-N 1 0 387.499 3.386 50 0 GGAARO Cc1ccc(C)c(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 ZINC000012041534 204368805 /nfs/dbraw/zinc/36/88/05/204368805.db2.gz QNFBTYFSNKNEID-RTWAWAEBSA-N 1 0 386.536 3.112 50 0 GGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2c(OC)cccc2OC)c1 ZINC000012035050 204368990 /nfs/dbraw/zinc/36/89/90/204368990.db2.gz XPOKISBPQKDBKI-SFHVURJKSA-N 1 0 398.503 3.383 50 0 GGAARO Cc1ccc(C)c(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 ZINC000012041537 204369311 /nfs/dbraw/zinc/36/93/11/204369311.db2.gz QNFBTYFSNKNEID-LEWJYISDSA-N 1 0 386.536 3.112 50 0 GGAARO COC(=O)CCC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012053959 204369555 /nfs/dbraw/zinc/36/95/55/204369555.db2.gz ZNLLZLNKPYHFAN-SFHVURJKSA-N 1 0 392.927 3.354 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000012076848 204369924 /nfs/dbraw/zinc/36/99/24/204369924.db2.gz PSIBAODWWQAALV-RYEVTAHJSA-N 1 0 385.533 3.021 50 0 GGAARO Cc1ccc(CNc2ncnc3sc(C(=O)N4CC[C@@H]([NH+](C)C)C4)c(C)c32)o1 ZINC000012079287 204370288 /nfs/dbraw/zinc/37/02/88/204370288.db2.gz AEUIYPWREPMJHE-CQSZACIVSA-N 1 0 399.520 3.289 50 0 GGAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000012111703 204371943 /nfs/dbraw/zinc/37/19/43/204371943.db2.gz SPUCHGISEIFVPQ-UHFFFAOYSA-N 1 0 385.508 3.125 50 0 GGAARO C[C@@]1(C2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)NC(=O)NC1=O ZINC000012135541 204374636 /nfs/dbraw/zinc/37/46/36/204374636.db2.gz MTWMWPGNRQFNBG-QHCPKHFHSA-N 1 0 375.472 3.068 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3cn(C)c4ccccc34)CCC2=O)cc1 ZINC000012149906 204376714 /nfs/dbraw/zinc/37/67/14/204376714.db2.gz FLKGABQBESGECD-UHFFFAOYSA-N 1 0 377.488 3.421 50 0 GGAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)C1 ZINC000012149834 204377514 /nfs/dbraw/zinc/37/75/14/204377514.db2.gz AIPVBDKYJOFJJK-DUEJHXMNSA-N 1 0 397.563 3.409 50 0 GGAARO CC1(C)CC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC(C)(C)[NH2+]1 ZINC000012391787 204405236 /nfs/dbraw/zinc/40/52/36/204405236.db2.gz KXLIGSDPJYLFER-ZDUSSCGKSA-N 1 0 377.916 3.118 50 0 GGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cccc(N2CCNC2=O)c1 ZINC000012455131 204412581 /nfs/dbraw/zinc/41/25/81/204412581.db2.gz HTOSMPJFVICXJG-GOSISDBHSA-N 1 0 384.524 3.133 50 0 GGAARO COc1ccccc1-n1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000012459244 204413041 /nfs/dbraw/zinc/41/30/41/204413041.db2.gz MYIBHDLFWLMRCW-HSZRJFAPSA-N 1 0 394.519 3.219 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000012196110 204380576 /nfs/dbraw/zinc/38/05/76/204380576.db2.gz FGGLOUOTCNMURZ-HNNXBMFYSA-N 1 0 391.265 3.211 50 0 GGAARO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000012193396 204380818 /nfs/dbraw/zinc/38/08/18/204380818.db2.gz SSMKUZQLJQMLAL-MRXNPFEDSA-N 1 0 386.927 3.432 50 0 GGAARO O=C(CC[C@H]1CCC[N@H+](CCCn2cccn2)C1)NCc1ccc(F)c(F)c1 ZINC000012205271 204382306 /nfs/dbraw/zinc/38/23/06/204382306.db2.gz ZJZBYNBTIPVRMI-QGZVFWFLSA-N 1 0 390.478 3.360 50 0 GGAARO O=C(CC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)NCc1ccc(F)c(F)c1 ZINC000012205262 204382977 /nfs/dbraw/zinc/38/29/77/204382977.db2.gz ZJZBYNBTIPVRMI-KRWDZBQOSA-N 1 0 390.478 3.360 50 0 GGAARO C[C@@H]1C[N@H+](CCC(=O)N(C)C[C@@H]2CCCCO2)Cc2cc(Cl)ccc2O1 ZINC000012212131 204384212 /nfs/dbraw/zinc/38/42/12/204384212.db2.gz AWOKLVSTISWTQT-QAPCUYQASA-N 1 0 380.916 3.341 50 0 GGAARO CC(C)NC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000012280041 204388786 /nfs/dbraw/zinc/38/87/86/204388786.db2.gz PWDFHYZQJGEOAR-MRXNPFEDSA-N 1 0 383.521 3.468 50 0 GGAARO C[N@@H+]1CCC[C@H](COc2cccc(CN(C(=O)c3cnsn3)C3CC3)c2)C1 ZINC000012282845 204389324 /nfs/dbraw/zinc/38/93/24/204389324.db2.gz HAFARXLVASVHDE-INIZCTEOSA-N 1 0 386.521 3.064 50 0 GGAARO CCOC(=O)C1CC[NH+]([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)CC1 ZINC000012279618 204389407 /nfs/dbraw/zinc/38/94/07/204389407.db2.gz DFNKKKSASXXYMD-SFHVURJKSA-N 1 0 392.927 3.496 50 0 GGAARO c1ccc(N2CCN(c3ncccc3C[NH2+]C3Cc4ccccc4C3)CC2)nc1 ZINC000012302603 204390369 /nfs/dbraw/zinc/39/03/69/204390369.db2.gz QHRZKSNJYZXWHY-UHFFFAOYSA-N 1 0 385.515 3.060 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C)n(C)n1 ZINC000012298292 204390938 /nfs/dbraw/zinc/39/09/38/204390938.db2.gz XTMIDALJWWNUJM-LJQANCHMSA-N 1 0 386.515 3.284 50 0 GGAARO CSCCC[NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012301723 204391860 /nfs/dbraw/zinc/39/18/60/204391860.db2.gz HSLOJUNZLZWUDT-UHFFFAOYSA-N 1 0 382.533 3.449 50 0 GGAARO C/C=C(\C)CN1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000012303466 204392314 /nfs/dbraw/zinc/39/23/14/204392314.db2.gz UDVHFYXVXAUDEG-BIMFAAKUSA-N 1 0 383.580 3.488 50 0 GGAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000012305029 204393007 /nfs/dbraw/zinc/39/30/07/204393007.db2.gz RSMCHOBBAXBHDN-IBGZPJMESA-N 1 0 375.476 3.426 50 0 GGAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3ccsc3)CC2)CC1 ZINC000012303893 204393602 /nfs/dbraw/zinc/39/36/02/204393602.db2.gz NQVKLQCLEQUKHU-UHFFFAOYSA-N 1 0 398.576 3.136 50 0 GGAARO CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012304282 204393818 /nfs/dbraw/zinc/39/38/18/204393818.db2.gz UMFWJDHHQFDNFW-NRFANRHFSA-N 1 0 388.462 3.196 50 0 GGAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3OCCO)C2)cc1OC ZINC000012320436 204396747 /nfs/dbraw/zinc/39/67/47/204396747.db2.gz QAAQCZFRSCSATK-LJQANCHMSA-N 1 0 386.492 3.151 50 0 GGAARO COc1ccccc1/C=C/C[N@H+]1CCC(=O)N(CCOc2ccccc2)CC1 ZINC000012326550 204398602 /nfs/dbraw/zinc/39/86/02/204398602.db2.gz ILWOMYWGZSPKSK-VQHVLOKHSA-N 1 0 380.488 3.322 50 0 GGAARO CC1(C)C[C@H](N2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)CCO1 ZINC000012338062 204398978 /nfs/dbraw/zinc/39/89/78/204398978.db2.gz CGVJSBJYFNZSMH-QZTJIDSGSA-N 1 0 378.488 3.133 50 0 GGAARO CCOCc1cc(C[NH+]2CCC(n3nccc3NC(C)=O)CC2)ccc1OC ZINC000012715703 204437288 /nfs/dbraw/zinc/43/72/88/204437288.db2.gz XUXJFFOKLOIIKD-UHFFFAOYSA-N 1 0 386.496 3.224 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ocnc1C ZINC000012715421 204437796 /nfs/dbraw/zinc/43/77/96/204437796.db2.gz LSLOOAZYOOTIPM-UHFFFAOYSA-N 1 0 389.471 3.123 50 0 GGAARO COc1cc(C(=O)NCCc2ccccc2F)ccc1OC1CC[NH+](C)CC1 ZINC000012748364 204440571 /nfs/dbraw/zinc/44/05/71/204440571.db2.gz UDANSYBCTZTZLE-UHFFFAOYSA-N 1 0 386.467 3.280 50 0 GGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012577629 204426318 /nfs/dbraw/zinc/42/63/18/204426318.db2.gz ATBHOYQKQNWJJM-NRFANRHFSA-N 1 0 397.563 3.422 50 0 GGAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014539095 204536063 /nfs/dbraw/zinc/53/60/63/204536063.db2.gz OPBOQSOGAQWRBW-IBGZPJMESA-N 1 0 392.503 3.415 50 0 GGAARO CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014531332 204535055 /nfs/dbraw/zinc/53/50/55/204535055.db2.gz WYROPKTXHDNYDF-UHFFFAOYSA-N 1 0 387.524 3.446 50 0 GGAARO Cc1c2ccc(OC[C@H](O)C[NH2+]C(C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000013735898 204510008 /nfs/dbraw/zinc/51/00/08/204510008.db2.gz GYKYNOABVDBVSV-GOSISDBHSA-N 1 0 381.472 3.430 50 0 GGAARO Cc1ccccc1C[NH2+][C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014741080 204540229 /nfs/dbraw/zinc/54/02/29/204540229.db2.gz JWTVNQVQPPOAGF-QGZVFWFLSA-N 1 0 394.544 3.367 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(C)c1)C2 ZINC000014748492 204541810 /nfs/dbraw/zinc/54/18/10/204541810.db2.gz NARWZDRLCQIXHY-GOSISDBHSA-N 1 0 398.576 3.048 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1cccc(F)c1)C2 ZINC000014751305 204541905 /nfs/dbraw/zinc/54/19/05/204541905.db2.gz LXTRRMQUAGVYCW-IBGZPJMESA-N 1 0 398.526 3.358 50 0 GGAARO CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1C ZINC000014960005 204548210 /nfs/dbraw/zinc/54/82/10/204548210.db2.gz IXGNFLIAOPIOSH-LJQANCHMSA-N 1 0 397.519 3.245 50 0 GGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)CCc3ccncc3)CC2)cc1 ZINC000014980928 204552056 /nfs/dbraw/zinc/55/20/56/204552056.db2.gz DSXFGPSDJKGVHF-UHFFFAOYSA-N 1 0 395.547 3.436 50 0 GGAARO CC[NH+]1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(C3CCCC3)C2=O)CC1 ZINC000014995415 204554124 /nfs/dbraw/zinc/55/41/24/204554124.db2.gz PUHQLPBHISAZEY-QFIPXVFZSA-N 1 0 387.499 3.333 50 0 GGAARO O[C@@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)CC[C@H]1N1CCOCC1 ZINC000015063504 204555914 /nfs/dbraw/zinc/55/59/14/204555914.db2.gz CFYJWSDMYASDNY-WOJBJXKFSA-N 1 0 382.529 3.322 50 0 GGAARO Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671198 204570702 /nfs/dbraw/zinc/57/07/02/204570702.db2.gz CDMLHCWDDPQTOE-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000015724446 204573458 /nfs/dbraw/zinc/57/34/58/204573458.db2.gz JTIIJRQPGWAMCM-MHTWAQMVSA-N 1 0 375.557 3.042 50 0 GGAARO CCC(=O)c1ccc(OCc2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)cc1 ZINC000019851132 204690408 /nfs/dbraw/zinc/69/04/08/204690408.db2.gz FSEFQIHOBUNIMU-UHFFFAOYSA-N 1 0 378.432 3.257 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1cccc2ccccc21 ZINC000020119618 204702244 /nfs/dbraw/zinc/70/22/44/204702244.db2.gz ZECKRIWXVAGPQP-NOZRDPDXSA-N 1 0 399.538 3.286 50 0 GGAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020119162 204702447 /nfs/dbraw/zinc/70/24/47/204702447.db2.gz GYSKJOBAEUVLQH-INIZCTEOSA-N 1 0 383.458 3.476 50 0 GGAARO Nc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)cn1 ZINC000020600656 204730893 /nfs/dbraw/zinc/73/08/93/204730893.db2.gz FCNDBAOSTICKOA-UHFFFAOYSA-N 1 0 377.448 3.170 50 0 GGAARO COc1ccc(Cc2noc(-c3ccc(OC[C@]4(C)CCC[NH2+]C4)nc3)n2)cc1 ZINC000020865729 204743023 /nfs/dbraw/zinc/74/30/23/204743023.db2.gz LDJKLIQTHCVOJD-JOCHJYFZSA-N 1 0 394.475 3.500 50 0 GGAARO Cc1cccc(N2CCC([NH+]3CCC(n4cc(C(C)(C)O)nn4)CC3)CC2)c1 ZINC000020994075 204749179 /nfs/dbraw/zinc/74/91/79/204749179.db2.gz CCYPPTWRQVNAMJ-UHFFFAOYSA-N 1 0 383.540 3.120 50 0 GGAARO COc1cc(Cl)cc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c1OC ZINC000022919735 204792356 /nfs/dbraw/zinc/79/23/56/204792356.db2.gz GUVAESQDATZJGS-SFHVURJKSA-N 1 0 384.948 3.272 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2Cc3ccccc3CN2C)c(F)c1 ZINC000023095259 204797196 /nfs/dbraw/zinc/79/71/96/204797196.db2.gz DFBHQXNFPWGJPM-GOSISDBHSA-N 1 0 380.467 3.371 50 0 GGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc(C)cc3OC)on2)C1 ZINC000023232383 204800025 /nfs/dbraw/zinc/80/00/25/204800025.db2.gz GWCNYSYYLNUONI-MRXNPFEDSA-N 1 0 387.480 3.127 50 0 GGAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3nn(C)cc3C)sc2c1 ZINC000038509041 204838825 /nfs/dbraw/zinc/83/88/25/204838825.db2.gz HPFDCRMFJICRHZ-UHFFFAOYSA-N 1 0 385.537 3.499 50 0 GGAARO CCCn1c(C)c(CC(=O)NC[C@@]2(C)CC[N@H+](C)C2)c2c1CC(C)(C)CC2=O ZINC000039490360 205041610 /nfs/dbraw/zinc/04/16/10/205041610.db2.gz VQQZBLBCKGMVDB-HSZRJFAPSA-N 1 0 387.568 3.362 50 0 GGAARO Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070922171 205024240 /nfs/dbraw/zinc/02/42/40/205024240.db2.gz UWPILDMUFPMQFF-UHFFFAOYSA-N 1 0 379.913 3.238 50 0 GGAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc2ccccc21 ZINC000070922191 205024767 /nfs/dbraw/zinc/02/47/67/205024767.db2.gz KQEICBXQZHPLGL-UHFFFAOYSA-N 1 0 381.501 3.430 50 0 GGAARO Cn1cc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+](C)C)c2ccccc21 ZINC000077171660 205033368 /nfs/dbraw/zinc/03/33/68/205033368.db2.gz BSJSOQVXASUXLC-IBGZPJMESA-N 1 0 389.455 3.317 50 0 GGAARO Cn1cc([C@@H](CNC(=O)c2cc(-c3ccco3)on2)[NH+](C)C)c2ccccc21 ZINC000077171651 205033640 /nfs/dbraw/zinc/03/36/40/205033640.db2.gz HRMNYKWPMWCAMV-GOSISDBHSA-N 1 0 378.432 3.459 50 0 GGAARO CC(C)[NH+]1CCC(N2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000039532089 205042251 /nfs/dbraw/zinc/04/22/51/205042251.db2.gz WRLBQRYUXOOHMK-VQTJNVASSA-N 1 0 391.943 3.260 50 0 GGAARO CCn1nc(C)c(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c1C ZINC000039485470 205042813 /nfs/dbraw/zinc/04/28/13/205042813.db2.gz QQNVOGBMYOEPIJ-JOCHJYFZSA-N 1 0 384.568 3.021 50 0 GGAARO CCCn1c(C)c(CC(=O)N(C)C2CC[NH+](C)CC2)c2c1CC(C)(C)CC2=O ZINC000039437939 205042971 /nfs/dbraw/zinc/04/29/71/205042971.db2.gz LLVUYZCARZUBDY-UHFFFAOYSA-N 1 0 387.568 3.457 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@H]2CCO)c1 ZINC000039551904 205043165 /nfs/dbraw/zinc/04/31/65/205043165.db2.gz RTJYSDIYPZVKNV-OAQYLSRUSA-N 1 0 393.531 3.256 50 0 GGAARO COc1cc(Cl)c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1OC ZINC000039430175 205043275 /nfs/dbraw/zinc/04/32/75/205043275.db2.gz NYQLPCMOYKCYHJ-QGZVFWFLSA-N 1 0 382.932 3.168 50 0 GGAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccc(C)cc3)CC2)C1 ZINC000039430700 205043361 /nfs/dbraw/zinc/04/33/61/205043361.db2.gz CCGVSFCIBAFANS-FGZHOGPDSA-N 1 0 399.579 3.457 50 0 GGAARO Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000079193042 205057955 /nfs/dbraw/zinc/05/79/55/205057955.db2.gz HTQGPPZZQVUZLX-QFBILLFUSA-N 1 0 383.540 3.394 50 0 biogenic GGAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079193263 205058345 /nfs/dbraw/zinc/05/83/45/205058345.db2.gz SZFDMNRWIDABJQ-SIKLNZKXSA-N 1 0 380.536 3.412 50 0 biogenic GGAARO Cc1ccc2nc(C)cc(C(=O)N3CCC(n4cc(C(C)(C)[NH3+])nn4)CC3)c2c1 ZINC000048294061 205118295 /nfs/dbraw/zinc/11/82/95/205118295.db2.gz MHVUMBBMAZDNSI-UHFFFAOYSA-N 1 0 392.507 3.114 50 0 GGAARO COC[C@H]1CCC[N@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)c2)C1 ZINC000048379491 205122867 /nfs/dbraw/zinc/12/28/67/205122867.db2.gz XNNZNWZAPOPVBO-SFHVURJKSA-N 1 0 390.487 3.357 50 0 GGAARO O=C(Nc1ccccc1)c1ccc(N2CC[C@H]([NH2+]Cc3cccc(O)c3)C2)nc1 ZINC000049421017 205126421 /nfs/dbraw/zinc/12/64/21/205126421.db2.gz XNRSCRCGZLXASO-FQEVSTJZSA-N 1 0 388.471 3.408 50 0 GGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979065 205142062 /nfs/dbraw/zinc/14/20/62/205142062.db2.gz TYZIQZHTJJSKCH-HXUWFJFHSA-N 1 0 385.508 3.351 50 0 GGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1OC ZINC000055099840 205142919 /nfs/dbraw/zinc/14/29/19/205142919.db2.gz ZRBRKQCUIBAZNT-MRXNPFEDSA-N 1 0 381.432 3.335 50 0 GGAARO CCNC(=O)N1CCC([NH2+]Cc2ccc(OCC=C(C)C)c(OC)c2)CC1 ZINC000055119895 205143755 /nfs/dbraw/zinc/14/37/55/205143755.db2.gz FDSRGUFUFHTQBA-UHFFFAOYSA-N 1 0 375.513 3.324 50 0 GGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055226520 205144434 /nfs/dbraw/zinc/14/44/34/205144434.db2.gz HAGRHDHXBGGFJA-GOSISDBHSA-N 1 0 391.899 3.387 50 0 GGAARO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H](COc2ccc(C)cc2)C1 ZINC000055228167 205144912 /nfs/dbraw/zinc/14/49/12/205144912.db2.gz VTUWTOOBXAFERQ-HXUWFJFHSA-N 1 0 398.551 3.165 50 0 GGAARO CC(C)NC(=O)Cn1cc(C[N@H+](Cc2cnn(C)c2)C2CC2)c2ccccc21 ZINC000055244845 205145370 /nfs/dbraw/zinc/14/53/70/205145370.db2.gz HTHBITDKZUFRPG-UHFFFAOYSA-N 1 0 379.508 3.064 50 0 GGAARO CCc1oc(C(=O)N[C@@H](C)c2cn3ncsc3n2)cc1C[NH+](CC)CC ZINC000055255226 205145430 /nfs/dbraw/zinc/14/54/30/205145430.db2.gz QGTHPOSBFYQSDG-LBPRGKRZSA-N 1 0 375.498 3.279 50 0 GGAARO COc1cc(-c2n[nH]cc2C[N@H+](C)Cc2ccncc2C)cc(OC)c1OC ZINC000055281968 205146733 /nfs/dbraw/zinc/14/67/33/205146733.db2.gz AKKUVDBCDLPNBH-UHFFFAOYSA-N 1 0 382.464 3.438 50 0 GGAARO C[C@@H](c1ccccn1)N(C)Cc1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000055360135 205147350 /nfs/dbraw/zinc/14/73/50/205147350.db2.gz QPKNRPGZQQIMNH-SFHVURJKSA-N 1 0 390.535 3.397 50 0 GGAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055369468 205147677 /nfs/dbraw/zinc/14/76/77/205147677.db2.gz BOGGNRNGGXQTCO-SFHVURJKSA-N 1 0 386.923 3.365 50 0 GGAARO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000057105472 205153934 /nfs/dbraw/zinc/15/39/34/205153934.db2.gz ONNSYGZTQYAOPA-JUXOCIIHSA-N 1 0 397.450 3.255 50 0 GGAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc(O)cc1O2 ZINC000057129046 205155648 /nfs/dbraw/zinc/15/56/48/205155648.db2.gz AJRKBXAKPJZCGJ-SFHVURJKSA-N 1 0 380.448 3.289 50 0 GGAARO Cn1cc(-c2cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c3ccc(F)cc3n2)cn1 ZINC000063870640 205187323 /nfs/dbraw/zinc/18/73/23/205187323.db2.gz HUVQZYZESRKZOL-KRWDZBQOSA-N 1 0 393.466 3.085 50 0 GGAARO CCn1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063856703 205187788 /nfs/dbraw/zinc/18/77/88/205187788.db2.gz SZIYFPKAZLHISU-HNNXBMFYSA-N 1 0 395.482 3.424 50 0 GGAARO COc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)c1 ZINC000014531102 205178815 /nfs/dbraw/zinc/17/88/15/205178815.db2.gz GKCKAYWNDWLVEH-SFHVURJKSA-N 1 0 396.535 3.092 50 0 GGAARO Cc1ccc2c(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063882736 205189288 /nfs/dbraw/zinc/18/92/88/205189288.db2.gz VUJXSXXLFMQGOA-QGZVFWFLSA-N 1 0 377.492 3.028 50 0 GGAARO Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000063884731 205189363 /nfs/dbraw/zinc/18/93/63/205189363.db2.gz WODLWDCZDSWOCA-SFHVURJKSA-N 1 0 389.503 3.172 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]Cc1ccc(Cl)s1 ZINC000064626475 205192092 /nfs/dbraw/zinc/19/20/92/205192092.db2.gz PBZWKJPLPPTROQ-SFHVURJKSA-N 1 0 382.888 3.184 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1ccc(Cl)s1 ZINC000064626478 205192831 /nfs/dbraw/zinc/19/28/31/205192831.db2.gz PBZWKJPLPPTROQ-GOSISDBHSA-N 1 0 382.888 3.184 50 0 GGAARO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000065404400 205233119 /nfs/dbraw/zinc/23/31/19/205233119.db2.gz KXGJWCFLQXTZNK-CQSZACIVSA-N 1 0 378.469 3.217 50 0 GGAARO COc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4cnc(N)nc4)C3)ccn2)cc1C ZINC000065410923 205234353 /nfs/dbraw/zinc/23/43/53/205234353.db2.gz CJBSQFONQZLILU-LJQANCHMSA-N 1 0 375.476 3.427 50 0 GGAARO C[C@H](NC(=O)CC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O)c1ccccc1 ZINC000065420194 205235230 /nfs/dbraw/zinc/23/52/30/205235230.db2.gz GUUXQTIDYGSFHS-KRWDZBQOSA-N 1 0 392.503 3.153 50 0 GGAARO c1cc(-c2c(-c3ccccc3)ncn2C[C@@H]2C[NH2+]CCO2)n(-c2ccccn2)c1 ZINC000065527923 205236172 /nfs/dbraw/zinc/23/61/72/205236172.db2.gz CIHDRAWRXISXJC-IBGZPJMESA-N 1 0 385.471 3.391 50 0 GGAARO c1cc(-c2c(-c3ccccc3)ncn2C[C@H]2C[NH2+]CCO2)n(-c2ccccn2)c1 ZINC000065527926 205236689 /nfs/dbraw/zinc/23/66/89/205236689.db2.gz CIHDRAWRXISXJC-LJQANCHMSA-N 1 0 385.471 3.391 50 0 GGAARO CC(C)(C)OC(=O)NCCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000066323407 205241142 /nfs/dbraw/zinc/24/11/42/205241142.db2.gz VJBBZKXRUFDAQT-UHFFFAOYSA-N 1 0 391.512 3.292 50 0 GGAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000067291701 205243556 /nfs/dbraw/zinc/24/35/56/205243556.db2.gz VJYHYFTWVMEOEB-UHFFFAOYSA-N 1 0 392.912 3.335 50 0 GGAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000067291801 205243609 /nfs/dbraw/zinc/24/36/09/205243609.db2.gz UZUHIQGMAZWAEO-UHFFFAOYSA-N 1 0 392.912 3.335 50 0 GGAARO COCC1CC[NH+](C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067604243 205251177 /nfs/dbraw/zinc/25/11/77/205251177.db2.gz JARFSEBWSDNZTL-QHCPKHFHSA-N 1 0 388.552 3.022 50 0 GGAARO Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000067604656 205251531 /nfs/dbraw/zinc/25/15/31/205251531.db2.gz VIADRDHERSVVEP-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO O=C(Nc1ccnn1C1CCN(c2cc[nH+]c3ccccc32)CC1)[C@@H]1CCOC1 ZINC000067654917 205251661 /nfs/dbraw/zinc/25/16/61/205251661.db2.gz ZLDAZMOWRBITJA-MRXNPFEDSA-N 1 0 391.475 3.248 50 0 GGAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC3CC[NH+](C)CC3)nc2)C1 ZINC000067641490 205251736 /nfs/dbraw/zinc/25/17/36/205251736.db2.gz ABYHBBSYSUXSHW-GOSISDBHSA-N 1 0 386.540 3.055 50 0 GGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2c(F)cccc2Cl)[nH+]1 ZINC000067629854 205251879 /nfs/dbraw/zinc/25/18/79/205251879.db2.gz CQRZWJUHVCINMV-UHFFFAOYSA-N 1 0 391.878 3.410 50 0 GGAARO C[C@H](C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1)[NH+](C)C ZINC000067649016 205252420 /nfs/dbraw/zinc/25/24/20/205252420.db2.gz MBLLWFXSUWIWNW-CYBMUJFWSA-N 1 0 397.500 3.340 50 0 GGAARO CCc1cc(C(=O)N2CCC(C[NH+]3CCCC3)(c3ccc(C)cn3)CC2)no1 ZINC000067642600 205252837 /nfs/dbraw/zinc/25/28/37/205252837.db2.gz CEXSDQXAJVDBGT-UHFFFAOYSA-N 1 0 382.508 3.210 50 0 GGAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000067673809 205253604 /nfs/dbraw/zinc/25/36/04/205253604.db2.gz BZPYLAJBHIFOAT-OAQYLSRUSA-N 1 0 392.547 3.074 50 0 GGAARO [NH3+]C1(C(=O)N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CCC1 ZINC000067691920 205253882 /nfs/dbraw/zinc/25/38/82/205253882.db2.gz XJHFLQRWEIDJKV-UHFFFAOYSA-N 1 0 395.484 3.271 50 0 GGAARO C[N@@H+]1CCCNC(=O)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000067675230 205254111 /nfs/dbraw/zinc/25/41/11/205254111.db2.gz ZKQQSIACBYXJKS-UHFFFAOYSA-N 1 0 379.504 3.265 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCc3ccc(O)cc3)C2=O)cc1 ZINC000067675692 205254386 /nfs/dbraw/zinc/25/43/86/205254386.db2.gz ZOOOMHWQAKFGTI-XMMPIXPASA-N 1 0 396.531 3.201 50 0 GGAARO O=C([C@H]1CCC[NH2+]1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067675496 205254859 /nfs/dbraw/zinc/25/48/59/205254859.db2.gz ASBWQVSIGKBWEQ-MRXNPFEDSA-N 1 0 395.484 3.142 50 0 GGAARO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cc3cc(OC)ccc3[nH]c2=O)s1 ZINC000067676855 205255035 /nfs/dbraw/zinc/25/50/35/205255035.db2.gz WMFXOQQADVYUKV-QGZVFWFLSA-N 1 0 397.500 3.295 50 0 GGAARO COc1ccc(-n2cccn2)c(C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)c1 ZINC000067725695 205255886 /nfs/dbraw/zinc/25/58/86/205255886.db2.gz BDAHJWGQOUSRKG-UHFFFAOYSA-N 1 0 378.476 3.068 50 0 GGAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCC[NH+]3CCCC3)nc2)C1 ZINC000067726474 205255990 /nfs/dbraw/zinc/25/59/90/205255990.db2.gz YXPLQBQHAXRWPT-LJQANCHMSA-N 1 0 386.540 3.057 50 0 GGAARO CCc1ccccc1C[NH+]1CCN(c2ccc(C(=O)N3CCCC3)cn2)CC1 ZINC000067724974 205256472 /nfs/dbraw/zinc/25/64/72/205256472.db2.gz LHUOQTQYJUKBKN-UHFFFAOYSA-N 1 0 378.520 3.202 50 0 GGAARO CCC[N@@H+]1CCCN(C(=O)c2coc(COc3cccc4cnccc43)n2)CC1 ZINC000067694816 205256662 /nfs/dbraw/zinc/25/66/62/205256662.db2.gz KTFXOLHYEIOMJP-UHFFFAOYSA-N 1 0 394.475 3.360 50 0 GGAARO COCCC(=O)N1CCC2(CC1)CCC[N@H+](Cc1sc(C)nc1C)CC2 ZINC000067714432 205256799 /nfs/dbraw/zinc/25/67/99/205256799.db2.gz DPORBFNWNYPSAL-UHFFFAOYSA-N 1 0 379.570 3.391 50 0 GGAARO O=C1N[C@@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C(=O)N1C1CCCC1 ZINC000067739626 205257655 /nfs/dbraw/zinc/25/76/55/205257655.db2.gz HFGYNMYXBABGAJ-FQEVSTJZSA-N 1 0 375.900 3.115 50 0 GGAARO COc1ccc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000067740514 205258334 /nfs/dbraw/zinc/25/83/34/205258334.db2.gz PIAPBSKHDZTFAW-DEOSSOPVSA-N 1 0 396.531 3.462 50 0 GGAARO COc1cc(OC)cc(C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000067757792 205258764 /nfs/dbraw/zinc/25/87/64/205258764.db2.gz XNSQEZYGBRPNOH-QHCPKHFHSA-N 1 0 395.503 3.227 50 0 GGAARO CCn1cc(C(=O)N2CCC3(CC2)CCC[N@H+](C)CC3)c(=O)c2ccc(C)nc21 ZINC000067755488 205258929 /nfs/dbraw/zinc/25/89/29/205258929.db2.gz JOIVVMBGUDGLOO-UHFFFAOYSA-N 1 0 396.535 3.063 50 0 GGAARO CC[C@@H](O)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000067769553 205259016 /nfs/dbraw/zinc/25/90/16/205259016.db2.gz RYWADZMIYGDNCL-OAHLLOKOSA-N 1 0 376.888 3.197 50 0 GGAARO COc1ccc2[nH]c(C[NH2+]Cc3c(C)n(CC(N)=O)c4ccccc34)cc2c1 ZINC000067756181 205259101 /nfs/dbraw/zinc/25/91/01/205259101.db2.gz HYJPEWUOWFMKDP-UHFFFAOYSA-N 1 0 376.460 3.215 50 0 GGAARO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)C1 ZINC000067742892 205259398 /nfs/dbraw/zinc/25/93/98/205259398.db2.gz TXGWFXVEROQZNC-WBVHZDCISA-N 1 0 393.466 3.412 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCC(C(C)C)CC3)C2=O)c1 ZINC000067804442 205259732 /nfs/dbraw/zinc/25/97/32/205259732.db2.gz YXOUGCOZFSELDC-JOCHJYFZSA-N 1 0 392.515 3.056 50 0 GGAARO CC(C)Cn1c2ccccc2nc1CN1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067774514 205259917 /nfs/dbraw/zinc/25/99/17/205259917.db2.gz JNYZZXIRESKMNM-UHFFFAOYSA-N 1 0 383.584 3.294 50 0 GGAARO Cc1ccc2cc(C3(O)CC[NH+](Cc4ccc(OCCO)cc4)CC3)ccc2n1 ZINC000067773992 205260358 /nfs/dbraw/zinc/26/03/58/205260358.db2.gz QLCYIKULFVJAMF-UHFFFAOYSA-N 1 0 392.499 3.398 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccnc4ccccc34)CC2)C1 ZINC000067805631 205260727 /nfs/dbraw/zinc/26/07/27/205260727.db2.gz IHPWKGNBBYEUBI-IBGZPJMESA-N 1 0 392.547 3.190 50 0 GGAARO CC[C@@H](c1nc2cc(C)ccc2[nH]1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000067787967 205260743 /nfs/dbraw/zinc/26/07/43/205260743.db2.gz GJVBJJBHOZWBRI-HNNXBMFYSA-N 1 0 379.489 3.288 50 0 GGAARO COc1cccc(OCc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[nH]n2)c1 ZINC000067818385 205261776 /nfs/dbraw/zinc/26/17/76/205261776.db2.gz KXKGZSUCXLDCCS-UHFFFAOYSA-N 1 0 386.496 3.036 50 0 GGAARO O=C1N[C@@](Cc2ccccc2F)(C2CC[NH2+]CC2)C(=O)N1C1CCCCCC1 ZINC000067834445 205263307 /nfs/dbraw/zinc/26/33/07/205263307.db2.gz YXDVHHSFUHVORR-QFIPXVFZSA-N 1 0 387.499 3.381 50 0 GGAARO Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067847059 205264478 /nfs/dbraw/zinc/26/44/78/205264478.db2.gz KMUDFYIXVCODIL-UHFFFAOYSA-N 1 0 380.536 3.012 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2=O)cc1 ZINC000067871391 205264595 /nfs/dbraw/zinc/26/45/95/205264595.db2.gz JUFDWTMRMOYIIN-HXUWFJFHSA-N 1 0 380.479 3.395 50 0 GGAARO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067868843 205265114 /nfs/dbraw/zinc/26/51/14/205265114.db2.gz PYQXGCVFWQIUDA-JOCHJYFZSA-N 1 0 386.499 3.497 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000067884749 205265801 /nfs/dbraw/zinc/26/58/01/205265801.db2.gz NADIGHABMZOYGL-JOCHJYFZSA-N 1 0 388.458 3.041 50 0 GGAARO COc1ccc2[nH]c(C[NH2+][C@@H]3CCC(=O)N(Cc4ccccc4)CC3)nc2c1 ZINC000067895443 205266935 /nfs/dbraw/zinc/26/69/35/205266935.db2.gz FWHRJBCHVASVQN-QGZVFWFLSA-N 1 0 378.476 3.242 50 0 GGAARO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C(=O)Nc2nncs2)c1 ZINC000067895830 205266981 /nfs/dbraw/zinc/26/69/81/205266981.db2.gz UCJOQLHRHONHGM-UHFFFAOYSA-N 1 0 382.445 3.151 50 0 GGAARO COc1ccc(OCc2nc(C(=O)N3CC[NH2+]C[C@@H]3c3ccccc3)co2)cc1 ZINC000067908074 205267115 /nfs/dbraw/zinc/26/71/15/205267115.db2.gz NUGZCXYXAXNYHR-HXUWFJFHSA-N 1 0 393.443 3.049 50 0 GGAARO COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)cc1 ZINC000067946425 205267842 /nfs/dbraw/zinc/26/78/42/205267842.db2.gz QEGTZSYOPGKKRI-HSZRJFAPSA-N 1 0 388.552 3.451 50 0 GGAARO O=C(Nc1ccncc1)c1cccc(C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)c1 ZINC000067955520 205268120 /nfs/dbraw/zinc/26/81/20/205268120.db2.gz QALBDMYRZRWAMQ-IBGZPJMESA-N 1 0 375.476 3.443 50 0 GGAARO Cc1ccc(C)c(CC[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000067909856 205268526 /nfs/dbraw/zinc/26/85/26/205268526.db2.gz GZTILPODXNXDOS-QHCPKHFHSA-N 1 0 384.495 3.128 50 0 GGAARO C[NH2+][C@@H](C)C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067909940 205268807 /nfs/dbraw/zinc/26/88/07/205268807.db2.gz IJTNCFBXBABWGT-INIZCTEOSA-N 1 0 375.472 3.347 50 0 GGAARO CC[C@@H]1CN(C(=O)c2csc3nc(-c4ccc(OC)c(F)c4)cn23)CC[NH2+]1 ZINC000067934812 205268976 /nfs/dbraw/zinc/26/89/76/205268976.db2.gz XEWAAQWLLMSAED-CYBMUJFWSA-N 1 0 388.468 3.035 50 0 GGAARO O=C(Nc1ccncc1)c1cccc(C[N@@H+]2CCC[C@H](CN3CCCC3=O)C2)c1 ZINC000067981805 205269930 /nfs/dbraw/zinc/26/99/30/205269930.db2.gz DIPDVPBQDQOZON-IBGZPJMESA-N 1 0 392.503 3.168 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc4c(c3)C[C@H](C)O4)cnn2c1 ZINC000067964726 205269962 /nfs/dbraw/zinc/26/99/62/205269962.db2.gz JPTZTALIJKQQIY-AWEZNQCLSA-N 1 0 379.464 3.147 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc2nc(-c3ccccc3OC)cn12 ZINC000067982204 205270125 /nfs/dbraw/zinc/27/01/25/205270125.db2.gz INEFNNPRDRUMTN-CQSZACIVSA-N 1 0 384.505 3.286 50 0 GGAARO CCOc1ccccc1C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cnc(C)[nH]3)C2)C1 ZINC000067974301 205270596 /nfs/dbraw/zinc/27/05/96/205270596.db2.gz RBXMPJDMSRWDNE-QFIPXVFZSA-N 1 0 382.508 3.245 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc4c(c3)C[C@@H](C)O4)cnn2c1 ZINC000067964728 205271017 /nfs/dbraw/zinc/27/10/17/205271017.db2.gz JPTZTALIJKQQIY-CQSZACIVSA-N 1 0 379.464 3.147 50 0 GGAARO COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000067432964 205246477 /nfs/dbraw/zinc/24/64/77/205246477.db2.gz FBNKQUBHWBRAST-QGZVFWFLSA-N 1 0 382.508 3.181 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccc4cccnc43)CC2)C1 ZINC000071315633 205280683 /nfs/dbraw/zinc/28/06/83/205280683.db2.gz WCQVZHSUOWHXBB-HXUWFJFHSA-N 1 0 392.547 3.190 50 0 GGAARO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071416074 205282562 /nfs/dbraw/zinc/28/25/62/205282562.db2.gz UVTIUQBHMAKLEG-NRFANRHFSA-N 1 0 382.508 3.365 50 0 GGAARO C[NH2+]CCN(C)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1 ZINC000071388783 205283199 /nfs/dbraw/zinc/28/31/99/205283199.db2.gz IQCJKRHPFNNBDU-UHFFFAOYSA-N 1 0 380.536 3.222 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccccc3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071422149 205283353 /nfs/dbraw/zinc/28/33/53/205283353.db2.gz WCBXLEYLBJSXTO-KSEOMHKRSA-N 1 0 378.472 3.103 50 0 GGAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000071613793 205284648 /nfs/dbraw/zinc/28/46/48/205284648.db2.gz ACJSONVLKHXNRG-VXKWHMMOSA-N 1 0 377.488 3.444 50 0 GGAARO C[C@@H](CO)[N@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071681800 205286493 /nfs/dbraw/zinc/28/64/93/205286493.db2.gz JTUAEYKOJPKHJM-HNNXBMFYSA-N 1 0 392.931 3.207 50 0 GGAARO C[C@H](CO)[N@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071681802 205286756 /nfs/dbraw/zinc/28/67/56/205286756.db2.gz JTUAEYKOJPKHJM-OAHLLOKOSA-N 1 0 392.931 3.207 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCCC1 ZINC000071738474 205286854 /nfs/dbraw/zinc/28/68/54/205286854.db2.gz QXCHYRBYTNSQKU-QFIPXVFZSA-N 1 0 383.580 3.418 50 0 GGAARO O=C(c1cncc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1)N1CCCC1 ZINC000071745917 205286874 /nfs/dbraw/zinc/28/68/74/205286874.db2.gz JPSNQCPVYPKTCB-GOSISDBHSA-N 1 0 380.492 3.160 50 0 GGAARO CC(C)C1(NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071714880 205286963 /nfs/dbraw/zinc/28/69/63/205286963.db2.gz REWJNIFQTCSQKO-FQEVSTJZSA-N 1 0 384.568 3.063 50 0 GGAARO CCC1(NC(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000071721644 205287304 /nfs/dbraw/zinc/28/73/04/205287304.db2.gz FFGCAVAKGSDHJG-NRFANRHFSA-N 1 0 383.580 3.464 50 0 GGAARO CC(C)C1(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071714877 205287385 /nfs/dbraw/zinc/28/73/85/205287385.db2.gz REWJNIFQTCSQKO-HXUWFJFHSA-N 1 0 384.568 3.063 50 0 GGAARO CCCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071721413 205287514 /nfs/dbraw/zinc/28/75/14/205287514.db2.gz BOBWYRRFZAHLFP-NRFANRHFSA-N 1 0 399.579 3.239 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCCC1 ZINC000071738475 205287775 /nfs/dbraw/zinc/28/77/75/205287775.db2.gz QXCHYRBYTNSQKU-JOCHJYFZSA-N 1 0 383.580 3.418 50 0 GGAARO CNc1nc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cc(C)[nH+]1 ZINC000071747422 205289159 /nfs/dbraw/zinc/28/91/59/205289159.db2.gz KDHFWSMAFQGMKG-SFHVURJKSA-N 1 0 385.487 3.229 50 0 GGAARO CN(Cc1ccoc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071747058 205289349 /nfs/dbraw/zinc/28/93/49/205289349.db2.gz JCELQUQFDMPRSJ-NRFANRHFSA-N 1 0 396.535 3.010 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC=CCC1 ZINC000071747657 205289693 /nfs/dbraw/zinc/28/96/93/205289693.db2.gz GYYUWMXUANGFHO-GOSISDBHSA-N 1 0 394.519 3.297 50 0 GGAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CCCn4nnnc4C)C3)ccc2c1 ZINC000071746231 205290177 /nfs/dbraw/zinc/29/01/77/205290177.db2.gz QNCXQGALJCSBNX-HXUWFJFHSA-N 1 0 393.491 3.128 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C3CCCCCC3)C2=O)c1 ZINC000071754699 205290572 /nfs/dbraw/zinc/29/05/72/205290572.db2.gz ZNKVXNXYEIPNJF-NRFANRHFSA-N 1 0 378.488 3.000 50 0 GGAARO Cc1ccc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000071750657 205290775 /nfs/dbraw/zinc/29/07/75/205290775.db2.gz RWRXCDNZCLAKIB-HXUWFJFHSA-N 1 0 397.563 3.033 50 0 GGAARO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071753964 205291047 /nfs/dbraw/zinc/29/10/47/205291047.db2.gz OPDWOBDYGKECOS-FQEVSTJZSA-N 1 0 382.508 3.365 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCC1 ZINC000071750649 205291313 /nfs/dbraw/zinc/29/13/13/205291313.db2.gz PFEFBXCYNKNCSU-NRFANRHFSA-N 1 0 384.568 3.161 50 0 GGAARO COc1cccc(-c2ccc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cn2)c1OC ZINC000071754155 205291360 /nfs/dbraw/zinc/29/13/60/205291360.db2.gz KYAJUTRNVCOCSY-QGZVFWFLSA-N 1 0 397.519 3.474 50 0 GGAARO CN(Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)o1)S(C)(=O)=O ZINC000071750994 205292307 /nfs/dbraw/zinc/29/23/07/205292307.db2.gz CJBJYPZDOQUXGQ-AWEZNQCLSA-N 1 0 382.913 3.314 50 0 GGAARO CC(C)(C)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071757185 205293245 /nfs/dbraw/zinc/29/32/45/205293245.db2.gz WBVNEHLYWATWTO-FQEVSTJZSA-N 1 0 386.584 3.310 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3cc(C)cc(C)c3)[nH+]c(C)n2)c1C ZINC000072116056 205304697 /nfs/dbraw/zinc/30/46/97/205304697.db2.gz VXXDSTJJJTUNAK-UHFFFAOYSA-N 1 0 393.495 3.438 50 0 GGAARO O=C(c1ccc2cccnc2n1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071760770 205293920 /nfs/dbraw/zinc/29/39/20/205293920.db2.gz IAHDDXVPECNDGL-CEMLEFRQSA-N 1 0 384.483 3.332 50 0 GGAARO Cc1nccn1CCC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071763446 205294441 /nfs/dbraw/zinc/29/44/41/205294441.db2.gz OALYPIGUPHTFKI-NRFANRHFSA-N 1 0 386.515 3.480 50 0 GGAARO Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071764049 205294724 /nfs/dbraw/zinc/29/47/24/205294724.db2.gz MGOGXCWHNKQPSA-UHFFFAOYSA-N 1 0 381.476 3.446 50 0 GGAARO CC(C)C1(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071762865 205294996 /nfs/dbraw/zinc/29/49/96/205294996.db2.gz SAJBGHGJGCEWHF-NRFANRHFSA-N 1 0 398.595 3.310 50 0 GGAARO O=C(NCc1ccsc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071764617 205295119 /nfs/dbraw/zinc/29/51/19/205295119.db2.gz FWPBBWBKWMSJKU-FQEVSTJZSA-N 1 0 398.576 3.136 50 0 GGAARO CCc1nccn1CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071765458 205295154 /nfs/dbraw/zinc/29/51/54/205295154.db2.gz QKEIWSKJBSDPSD-HXUWFJFHSA-N 1 0 386.515 3.344 50 0 GGAARO C[C@@H](CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)[NH+]1CCN(C)CC1 ZINC000071762649 205296189 /nfs/dbraw/zinc/29/61/89/205296189.db2.gz OKSVAGJHHDOMJH-KRWDZBQOSA-N 1 0 382.552 3.079 50 0 GGAARO Cc1ccccc1NC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071771108 205296496 /nfs/dbraw/zinc/29/64/96/205296496.db2.gz SOMQMJLDTAZHAE-IBGZPJMESA-N 1 0 398.551 3.326 50 0 GGAARO O=c1n(Cc2nc3ccccc3s2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071776766 205296709 /nfs/dbraw/zinc/29/67/09/205296709.db2.gz DTUMFPXWQXPYJF-HNNXBMFYSA-N 1 0 391.500 3.159 50 0 GGAARO OCCOc1ccccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071776001 205296757 /nfs/dbraw/zinc/29/67/57/205296757.db2.gz NIBKKXHZKDTOBB-GMKZXUHWSA-N 1 0 378.516 3.120 50 0 GGAARO CC(C)CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CC1 ZINC000071774998 205297933 /nfs/dbraw/zinc/29/79/33/205297933.db2.gz GYBMYBBUPKZCRQ-OAQYLSRUSA-N 1 0 398.595 3.405 50 0 GGAARO C[NH+]1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000072117302 205305025 /nfs/dbraw/zinc/30/50/25/205305025.db2.gz IHFJXEJFKOULNL-UHFFFAOYSA-N 1 0 379.504 3.125 50 0 GGAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc4c(c3)CCCC4)cc2)CC1 ZINC000072119157 205305287 /nfs/dbraw/zinc/30/52/87/205305287.db2.gz KYVSOCGPINNPDU-UHFFFAOYSA-N 1 0 379.504 3.335 50 0 GGAARO CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cn(Cc3cccc4ccccc43)nn2)C1 ZINC000072124038 205306470 /nfs/dbraw/zinc/30/64/70/205306470.db2.gz IIKADPDYUAJRST-GOSISDBHSA-N 1 0 391.519 3.284 50 0 GGAARO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC000072125454 205306746 /nfs/dbraw/zinc/30/67/46/205306746.db2.gz JLOPPOMPSHVJRQ-INIZCTEOSA-N 1 0 385.335 3.231 50 0 GGAARO CCO[C@H]1[C@H](NC(=O)c2ccccc2OC)c2ccccc2C12CC[NH2+]CC2 ZINC000072125366 205307010 /nfs/dbraw/zinc/30/70/10/205307010.db2.gz KHVJEAXFRQQOIR-RTWAWAEBSA-N 1 0 380.488 3.206 50 0 GGAARO COc1ccc([C@@H]2CN(c3ncnc4[nH]ccc43)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072128240 205307681 /nfs/dbraw/zinc/30/76/81/205307681.db2.gz VTJCVLNNJYPDTJ-XUVXKRRUSA-N 1 0 375.476 3.033 50 0 GGAARO CCc1cc(N2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)ncn1 ZINC000072125609 205307723 /nfs/dbraw/zinc/30/77/23/205307723.db2.gz JLEWYNGNBYFMGH-LJQANCHMSA-N 1 0 384.524 3.200 50 0 GGAARO C[NH+]1CCC(O)(Cn2ccnc2-c2cnc(-c3ccc(Cl)cc3)nc2)CC1 ZINC000072134709 205308584 /nfs/dbraw/zinc/30/85/84/205308584.db2.gz QQDVNYSVXNWHAM-UHFFFAOYSA-N 1 0 383.883 3.117 50 0 GGAARO CC(C)[C@H]1CN(C(=O)CCc2cnn(C)c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072135567 205308629 /nfs/dbraw/zinc/30/86/29/205308629.db2.gz OKWPDUWQOXASMX-OAQYLSRUSA-N 1 0 386.515 3.251 50 0 GGAARO COc1ccccc1[C@H]1CN(C(=O)c2sc(C)nc2C)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072135256 205308666 /nfs/dbraw/zinc/30/86/66/205308666.db2.gz CBZPORNTPHPRKG-MISYRCLQSA-N 1 0 397.544 3.471 50 0 GGAARO CCOc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cc1Cl ZINC000072134657 205308985 /nfs/dbraw/zinc/30/89/85/205308985.db2.gz AEZRBXAXVCVNFX-QGZVFWFLSA-N 1 0 380.916 3.048 50 0 GGAARO Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072133145 205309126 /nfs/dbraw/zinc/30/91/26/205309126.db2.gz IYDBHADSTWZLAB-AEFFLSMTSA-N 1 0 385.533 3.123 50 0 GGAARO Cc1cc(CN(C)C(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)[nH]n1 ZINC000072148723 205309726 /nfs/dbraw/zinc/30/97/26/205309726.db2.gz VNHXERIZTIJVGC-UHFFFAOYSA-N 1 0 388.515 3.346 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCC2CCOCC2)Cc2ccccc2C1 ZINC000072147369 205309772 /nfs/dbraw/zinc/30/97/72/205309772.db2.gz FSQWIJPIUREHDS-UHFFFAOYSA-N 1 0 392.543 3.241 50 0 GGAARO Cn1ncc2c1nc(-c1cccnc1)nc2NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072148777 205309895 /nfs/dbraw/zinc/30/98/95/205309895.db2.gz MRHIHCSPLIHVBC-MAUKXSAKSA-N 1 0 377.496 3.102 50 0 GGAARO CC(C)NC(=O)C[N@@H+]1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000072148592 205310616 /nfs/dbraw/zinc/31/06/16/205310616.db2.gz YWHOTBPJFGKTDH-KRWDZBQOSA-N 1 0 379.495 3.023 50 0 GGAARO COc1ccccc1[C@H]1CN(C(=O)c2csc(C)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072149854 205310666 /nfs/dbraw/zinc/31/06/66/205310666.db2.gz YOTUSEQZZZQXFN-NSISKUIASA-N 1 0 383.517 3.163 50 0 GGAARO COC(C)(C)CNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072151295 205311572 /nfs/dbraw/zinc/31/15/72/205311572.db2.gz HWOILSXVMLHECH-UHFFFAOYSA-N 1 0 380.532 3.240 50 0 GGAARO C[NH+](C)[C@@H]1CCCN(c2nnnn2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000072147300 205311800 /nfs/dbraw/zinc/31/18/00/205311800.db2.gz PLLHRCVOFKZCQY-QGZVFWFLSA-N 1 0 378.480 3.375 50 0 GGAARO COc1ccccc1[C@@H]1CN(C(=O)c2csc(C)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072157583 205312340 /nfs/dbraw/zinc/31/23/40/205312340.db2.gz YOTUSEQZZZQXFN-PWIZWCRZSA-N 1 0 383.517 3.163 50 0 GGAARO Cc1cccc2cc(C(=O)N3CCC[C@@H](N(C)CCC[NH+](C)C)C3)c(C)nc12 ZINC000072153824 205312516 /nfs/dbraw/zinc/31/25/16/205312516.db2.gz OJJOUDOCVVLUPF-HXUWFJFHSA-N 1 0 382.552 3.340 50 0 GGAARO CC[N@H+](C)C1(CNc2nc(-c3ccncc3)nc3c2cnn3C)CCCCC1 ZINC000072156346 205313592 /nfs/dbraw/zinc/31/35/92/205313592.db2.gz YVRCJLZRLFBOME-UHFFFAOYSA-N 1 0 379.512 3.492 50 0 GGAARO Cn1ncc2c1nc(C(C)(C)C)nc2N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072152070 205313811 /nfs/dbraw/zinc/31/38/11/205313811.db2.gz CKFDYIDQPBVPSV-INIZCTEOSA-N 1 0 379.512 3.132 50 0 GGAARO COc1ccccc1[C@H]1CN(c2ncnc3[nH]ccc32)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072152873 205313969 /nfs/dbraw/zinc/31/39/69/205313969.db2.gz HRZYHLMMGVWJAS-MISYRCLQSA-N 1 0 375.476 3.033 50 0 GGAARO CN(C(=O)c1ccc2n[nH]nc2c1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072161578 205313992 /nfs/dbraw/zinc/31/39/92/205313992.db2.gz IWSNBVBQIMDWQF-LJQANCHMSA-N 1 0 377.492 3.127 50 0 GGAARO CCc1ccc(CN(Cc2ccccc2OC)C(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000072153009 205314054 /nfs/dbraw/zinc/31/40/54/205314054.db2.gz OGYWOORDAXYQGR-OAQYLSRUSA-N 1 0 382.504 3.165 50 0 GGAARO CCC(CC)C(=O)N1CCC2(CC1)CC[NH+](Cc1cnc(COC)nc1)CC2 ZINC000072165643 205314451 /nfs/dbraw/zinc/31/44/51/205314451.db2.gz WFBHCVCXPBIXIY-UHFFFAOYSA-N 1 0 388.556 3.264 50 0 GGAARO c1coc(-c2ncc(C[NH+]3CCC(c4nnc5n4CCCCC5)CC3)cn2)c1 ZINC000072165272 205314785 /nfs/dbraw/zinc/31/47/85/205314785.db2.gz MSMSTPRERLHTIM-UHFFFAOYSA-N 1 0 378.480 3.434 50 0 GGAARO COc1ccccc1[C@H]1CN(c2ccc(C(C)=O)cn2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072162871 205315616 /nfs/dbraw/zinc/31/56/16/205315616.db2.gz ZPVZOQHMCYWXOU-UEVCKROQSA-N 1 0 377.488 3.359 50 0 GGAARO CCCNc1ncc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072167272 205315661 /nfs/dbraw/zinc/31/56/61/205315661.db2.gz DPFMUQAYEICKPP-YPAWHYETSA-N 1 0 377.536 3.361 50 0 GGAARO Cc1ccnn1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072162987 205316276 /nfs/dbraw/zinc/31/62/76/205316276.db2.gz FLZNQOOPFBVVNH-OAQYLSRUSA-N 1 0 386.515 3.480 50 0 GGAARO CCc1ncc(C[N@@H+]2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072172452 205317202 /nfs/dbraw/zinc/31/72/02/205317202.db2.gz BWPZTALUKSMWLV-UEVCKROQSA-N 1 0 378.520 3.110 50 0 GGAARO CCc1nc(C)c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)o1 ZINC000072173657 205317316 /nfs/dbraw/zinc/31/73/16/205317316.db2.gz MIXKOKHRIVATQA-DFQSSKMNSA-N 1 0 383.467 3.387 50 0 GGAARO CSc1ccc(-c2nc(CN3CCOC[C@H](C[NH+](C)C)C3)c(C)o2)cc1 ZINC000072430642 205350428 /nfs/dbraw/zinc/35/04/28/205350428.db2.gz UHGKHAZPEXYVOI-MRXNPFEDSA-N 1 0 375.538 3.382 50 0 GGAARO CCn1ncc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000072434982 205350602 /nfs/dbraw/zinc/35/06/02/205350602.db2.gz VBMGXOIOOXUQAQ-BHDDXSALSA-N 1 0 378.520 3.222 50 0 GGAARO CO[C@H]1[C@H](NC(=O)c2cn(C)c3ccccc23)c2ccccc2C12CC[NH2+]CC2 ZINC000072430345 205351756 /nfs/dbraw/zinc/35/17/56/205351756.db2.gz VEXJDIMXHILACU-YADHBBJMSA-N 1 0 389.499 3.299 50 0 GGAARO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[N@H+](C)C[C@@H](O)CO)cc12 ZINC000072456760 205353005 /nfs/dbraw/zinc/35/30/05/205353005.db2.gz JTQKRYDLXDRNPK-GOSISDBHSA-N 1 0 396.487 3.012 50 0 GGAARO CN1CC2(CC[NH+](Cc3ccc(-c4nc5ccccc5n4C)o3)CC2)OC1=O ZINC000072448561 205353320 /nfs/dbraw/zinc/35/33/20/205353320.db2.gz NNAWEVCGOKOIFL-UHFFFAOYSA-N 1 0 380.448 3.250 50 0 GGAARO COC(=O)c1ccc(-c2ccc(C[NH+]3CCC4(CC(=O)N(C)C4)CC3)o2)cc1 ZINC000072477305 205354289 /nfs/dbraw/zinc/35/42/89/205354289.db2.gz CXZFMEMDNMOZAC-UHFFFAOYSA-N 1 0 382.460 3.178 50 0 GGAARO C[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000072481340 205355317 /nfs/dbraw/zinc/35/53/17/205355317.db2.gz DAHKRCQBVBBNCX-UHFFFAOYSA-N 1 0 390.487 3.075 50 0 GGAARO CCC[C@H](C)N1CC2(CC[NH+](Cc3ccccc3OCCO)CC2)OC1=O ZINC000072480419 205355566 /nfs/dbraw/zinc/35/55/66/205355566.db2.gz WDAXBDOYUUJJKT-KRWDZBQOSA-N 1 0 376.497 3.033 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN1Cc2c(cccc2C(=O)NCC2=CCCCC2)C1=O ZINC000072481241 205355752 /nfs/dbraw/zinc/35/57/52/205355752.db2.gz PZDARSATIQZRQK-SFHVURJKSA-N 1 0 381.520 3.357 50 0 GGAARO CO[C@H]1[C@H](NC(=O)c2cc3ccccc3n2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072480560 205355983 /nfs/dbraw/zinc/35/59/83/205355983.db2.gz CPZOVYHKAORULL-YADHBBJMSA-N 1 0 389.499 3.299 50 0 GGAARO COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1C[N@@H+]1CC[C@H](O)C1 ZINC000072481152 205356015 /nfs/dbraw/zinc/35/60/15/205356015.db2.gz LJHPGDSJNKKMFL-INIZCTEOSA-N 1 0 394.471 3.494 50 0 GGAARO CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077487263 205364271 /nfs/dbraw/zinc/36/42/71/205364271.db2.gz CRGRDSBOOJVOKT-UHFFFAOYSA-N 1 0 398.551 3.352 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2C1 ZINC000077458454 205362468 /nfs/dbraw/zinc/36/24/68/205362468.db2.gz DZAZFEUNJPQLGQ-OAHLLOKOSA-N 1 0 390.915 3.092 50 0 GGAARO CC(C)C/C=C(\C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1)c1ccccc1 ZINC000077456023 205362781 /nfs/dbraw/zinc/36/27/81/205362781.db2.gz RDNTWVFZRITKNO-PLLXVLIQSA-N 1 0 393.531 3.376 50 0 GGAARO O=C(C1CC[NH+](Cc2ccc(OCCn3ccnc3)cc2)CC1)N1CCCCC1 ZINC000077470938 205363709 /nfs/dbraw/zinc/36/37/09/205363709.db2.gz KYKDMVCWYBPDBK-UHFFFAOYSA-N 1 0 396.535 3.187 50 0 GGAARO Cc1cccc2cc(CN3CC[NH+](CCC(N)=O)CC3)c(-c3cccs3)nc12 ZINC000072407219 205345151 /nfs/dbraw/zinc/34/51/51/205345151.db2.gz DDXBBSMCAILTKJ-UHFFFAOYSA-N 1 0 394.544 3.265 50 0 GGAARO CC(C)c1ccc(-c2noc(CC[N@@H+]3CCCN(c4ncccn4)CC3)n2)cc1 ZINC000072403359 205346148 /nfs/dbraw/zinc/34/61/48/205346148.db2.gz NKZOWWUXJFOLCY-UHFFFAOYSA-N 1 0 392.507 3.405 50 0 GGAARO CO[C@H]1[C@H](NC(=O)C2(c3ccccc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000072419696 205346647 /nfs/dbraw/zinc/34/66/47/205346647.db2.gz FUKRIOOGGGJGOP-RTWAWAEBSA-N 1 0 376.500 3.226 50 0 GGAARO COC[C@@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072419165 205346735 /nfs/dbraw/zinc/34/67/35/205346735.db2.gz YIPCFECGCTWWAC-MRXNPFEDSA-N 1 0 386.927 3.272 50 0 GGAARO O=C(c1ccnc(N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1)N1CCCC1 ZINC000072409145 205346960 /nfs/dbraw/zinc/34/69/60/205346960.db2.gz WHGRFSQWNOQDKJ-OAQYLSRUSA-N 1 0 378.520 3.437 50 0 GGAARO COc1ccc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2OC)cc1C ZINC000072411324 205347459 /nfs/dbraw/zinc/34/74/59/205347459.db2.gz QXQXBYKYKVXYAF-RTWAWAEBSA-N 1 0 380.488 3.125 50 0 GGAARO COc1ccc(-n2cc(CN3CC[NH+](C)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000072425965 205348873 /nfs/dbraw/zinc/34/88/73/205348873.db2.gz PFQSMLICFIGKQH-UHFFFAOYSA-N 1 0 380.467 3.434 50 0 GGAARO O=C(NCC1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082092804 205385300 /nfs/dbraw/zinc/38/53/00/205385300.db2.gz KHPGMHBVZFAQEU-QFIPXVFZSA-N 1 0 398.595 3.455 50 0 GGAARO CCC1(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082092317 205385634 /nfs/dbraw/zinc/38/56/34/205385634.db2.gz FMTBLFFCQDHIQP-FQEVSTJZSA-N 1 0 384.568 3.064 50 0 GGAARO CCCN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CC1 ZINC000082097461 205386006 /nfs/dbraw/zinc/38/60/06/205386006.db2.gz IHAAJOSCAKMYPQ-HXUWFJFHSA-N 1 0 384.568 3.159 50 0 GGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3cnoc3-c3ccccc3)cc2C1 ZINC000082086640 205386240 /nfs/dbraw/zinc/38/62/40/205386240.db2.gz GLINSFWEMNQEIM-UHFFFAOYSA-N 1 0 379.464 3.084 50 0 GGAARO O=C(NCC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082137967 205386966 /nfs/dbraw/zinc/38/69/66/205386966.db2.gz PTCIHASOLGBUEI-JOCHJYFZSA-N 1 0 396.579 3.375 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCC12CC2 ZINC000082121542 205387172 /nfs/dbraw/zinc/38/71/72/205387172.db2.gz OVFOIENRDQDUDH-NRFANRHFSA-N 1 0 396.579 3.303 50 0 GGAARO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000082157443 205388977 /nfs/dbraw/zinc/38/89/77/205388977.db2.gz NEVMYYPOQNWVLY-LJQANCHMSA-N 1 0 399.485 3.150 50 0 GGAARO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c2cc(Cl)ccc2n1 ZINC000091663104 205421823 /nfs/dbraw/zinc/42/18/23/205421823.db2.gz YVBCGSXXQDYBCJ-QRWLVFNGSA-N 1 0 389.927 3.361 50 0 GGAARO COc1ccc(/C=C/C[N@@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)cc1 ZINC000091270652 205411705 /nfs/dbraw/zinc/41/17/05/205411705.db2.gz KOALYQBHSPTGIX-ZGVNINRLSA-N 1 0 384.520 3.202 50 0 GGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000091319704 205412364 /nfs/dbraw/zinc/41/23/64/205412364.db2.gz ICLFEWFCQWMEQL-IBGZPJMESA-N 1 0 378.463 3.348 50 0 GGAARO COc1ccc2c(c1)OC[C@@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000091381209 205414552 /nfs/dbraw/zinc/41/45/52/205414552.db2.gz TZXYVQYRVRSNSP-FQEVSTJZSA-N 1 0 380.488 3.159 50 0 GGAARO Cc1nc(C(C)C)sc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091494354 205415768 /nfs/dbraw/zinc/41/57/68/205415768.db2.gz YHNNNLJTWDSHPO-IAGOWNOFSA-N 1 0 379.570 3.131 50 0 GGAARO Cc1nc2cc(OCc3nc(C(=O)NC[C@@H](C)C[NH+](C)C)co3)ccc2s1 ZINC000091616989 205419506 /nfs/dbraw/zinc/41/95/06/205419506.db2.gz ANUNUALYUSDREQ-GFCCVEGCSA-N 1 0 388.493 3.099 50 0 GGAARO Cc1cc2occ(CC(=O)N3C[C@H](CO)[C@H](C[NH+]4CCCCC4)C3)c2c(C)c1 ZINC000091625103 205420226 /nfs/dbraw/zinc/42/02/26/205420226.db2.gz VGMNGPPGHQYPJP-WOJBJXKFSA-N 1 0 384.520 3.145 50 0 GGAARO CC(C)Oc1ccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095377741 205450998 /nfs/dbraw/zinc/45/09/98/205450998.db2.gz RBFNMGUWCRCNDR-IBGZPJMESA-N 1 0 384.524 3.252 50 0 GGAARO CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000095480601 205466559 /nfs/dbraw/zinc/46/65/59/205466559.db2.gz NWZZTGRVCSKUQD-MRXNPFEDSA-N 1 0 393.601 3.052 50 0 GGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000095388110 205453970 /nfs/dbraw/zinc/45/39/70/205453970.db2.gz LEUMXKZIGLZPMT-UHFFFAOYSA-N 1 0 379.508 3.336 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccnnc2)CC1 ZINC000095519052 205486492 /nfs/dbraw/zinc/48/64/92/205486492.db2.gz VNBOSWRPKFKMSV-UHFFFAOYSA-N 1 0 396.535 3.496 50 0 GGAARO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc(=O)[nH]1 ZINC000095521824 205489822 /nfs/dbraw/zinc/48/98/22/205489822.db2.gz DMVIBELJVMGQOH-IBGZPJMESA-N 1 0 381.520 3.018 50 0 GGAARO C[C@@H](Cn1cncn1)[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000096131219 205528932 /nfs/dbraw/zinc/52/89/32/205528932.db2.gz SEPZEBKGSIGZHX-LBPRGKRZSA-N 1 0 376.917 3.188 50 0 GGAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC000096152352 205533563 /nfs/dbraw/zinc/53/35/63/205533563.db2.gz KLEMQYBBOXRMOO-HXUWFJFHSA-N 1 0 378.520 3.137 50 0 GGAARO Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000097636526 205593226 /nfs/dbraw/zinc/59/32/26/205593226.db2.gz ILVVWDCXORHYEF-UHFFFAOYSA-N 1 0 382.533 3.105 50 0 GGAARO CCN(C(=O)c1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1)c1ccccc1 ZINC000097514314 205590687 /nfs/dbraw/zinc/59/06/87/205590687.db2.gz NXTZWDIWPXVHJO-FXAWDEMLSA-N 1 0 378.476 3.179 50 0 GGAARO CC(C)(C)OC(=O)N1CCC2(C[C@@H](N3CCC([NH+]4CCCC4)CC3)CO2)CC1 ZINC000006747709 205782631 /nfs/dbraw/zinc/78/26/31/205782631.db2.gz HDNITZDLRASXTN-LJQANCHMSA-N 1 0 393.572 3.105 50 0 GGAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccn(C)n3)nc21 ZINC000011695506 205868957 /nfs/dbraw/zinc/86/89/57/205868957.db2.gz MYNLQHSSVYQBHH-UHFFFAOYSA-N 1 0 387.509 3.027 50 0 GGAARO COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127410 205972063 /nfs/dbraw/zinc/97/20/63/205972063.db2.gz IOUJKEFLRVVCRC-UHFFFAOYSA-N 1 0 393.915 3.058 50 0 GGAARO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CCCC3)CC2)c2ccccc2n1 ZINC000023127400 205972651 /nfs/dbraw/zinc/97/26/51/205972651.db2.gz MAYAEANJQKAYCB-UHFFFAOYSA-N 1 0 394.519 3.253 50 0 GGAARO Cc1cccc(CS(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000023127736 205972912 /nfs/dbraw/zinc/97/29/12/205972912.db2.gz FBEPPDAPJRYVBG-UHFFFAOYSA-N 1 0 378.563 3.388 50 0 GGAARO CN(C)c1nc(NCCOCc2ccc(Cl)cc2)cc(C2CC([NH3+])C2)n1 ZINC000223665438 206004679 /nfs/dbraw/zinc/00/46/79/206004679.db2.gz IUEFJSSXFNZUEY-UHFFFAOYSA-N 1 0 375.904 3.029 50 0 GGAARO O=C(C[NH+]1CCCCCCC1)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223903146 206009212 /nfs/dbraw/zinc/00/92/12/206009212.db2.gz WMMDTNCQYIUMQX-KXNZUKPASA-N 1 0 381.520 3.429 50 0 GGAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000225419771 206047385 /nfs/dbraw/zinc/04/73/85/206047385.db2.gz YHPWCOWFBXAUTA-SJLPKXTDSA-N 1 0 398.507 3.088 50 0 biogenic GGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC2CCOCC2)nc1 ZINC000225711715 206069022 /nfs/dbraw/zinc/06/90/22/206069022.db2.gz IIKNPBLTAWIILF-UHFFFAOYSA-N 1 0 395.503 3.034 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)c(OC)c1 ZINC000226848310 206099905 /nfs/dbraw/zinc/09/99/05/206099905.db2.gz JBAUCMXNUUTCRS-YWZLYKJASA-N 1 0 398.507 3.088 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000226848264 206100821 /nfs/dbraw/zinc/10/08/21/206100821.db2.gz HSWGZGRXERJQHR-FCEWJHQRSA-N 1 0 389.927 3.074 50 0 biogenic GGAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000230205559 206113134 /nfs/dbraw/zinc/11/31/34/206113134.db2.gz YUXAODGCWGZBGA-KXBFYZLASA-N 1 0 398.507 3.088 50 0 biogenic GGAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000096347276 206122541 /nfs/dbraw/zinc/12/25/41/206122541.db2.gz ZKDUTAJCMSJFIW-CQSZACIVSA-N 1 0 386.521 3.150 50 0 GGAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000239611775 206124449 /nfs/dbraw/zinc/12/44/49/206124449.db2.gz FEMCQRDIBHPWLC-UHFFFAOYSA-N 1 0 387.471 3.438 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000230206910 206111578 /nfs/dbraw/zinc/11/15/78/206111578.db2.gz COHMKRIXOONGBH-JZXOWHBKSA-N 1 0 389.927 3.074 50 0 biogenic GGAARO COc1ccc(-n2ncc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2C)cc1 ZINC000230203923 206111699 /nfs/dbraw/zinc/11/16/99/206111699.db2.gz VFDCJOLMWUQVJV-UWJYYQICSA-N 1 0 382.508 3.184 50 0 biogenic GGAARO O=C(CCCc1nc(-c2ccccc2)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230202864 206111721 /nfs/dbraw/zinc/11/17/21/206111721.db2.gz BUDHMTPSPADVKZ-OALUTQOASA-N 1 0 382.508 3.440 50 0 biogenic GGAARO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1-n1nc(C)cc1C ZINC000230209058 206111890 /nfs/dbraw/zinc/11/18/90/206111890.db2.gz LJJRZIPZDWKLFW-UXHICEINSA-N 1 0 396.535 3.492 50 0 biogenic GGAARO Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000230207058 206112426 /nfs/dbraw/zinc/11/24/26/206112426.db2.gz TWUMQFHYDVBGEA-XLIONFOSSA-N 1 0 398.555 3.465 50 0 biogenic GGAARO Clc1ccc2c(c1)nccc2NCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC000252496512 206139382 /nfs/dbraw/zinc/13/93/82/206139382.db2.gz PKFGEHYJQUOZRP-UHFFFAOYSA-N 1 0 387.959 3.014 50 0 GGAARO Cc1cn2c(nc(C[NH+]3CCC(c4nc5ccccc5n4C)CC3)cc2=O)s1 ZINC000252502667 206141174 /nfs/dbraw/zinc/14/11/74/206141174.db2.gz USTHBLDEBJSMRD-UHFFFAOYSA-N 1 0 393.516 3.331 50 0 GGAARO COc1cccc2c1CCc1c-2n[nH]c1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252549639 206143217 /nfs/dbraw/zinc/14/32/17/206143217.db2.gz RLSUBUSSJLDJHK-DNVCBOLYSA-N 1 0 394.519 3.178 50 0 GGAARO COCc1nc(NCCCc2nc3ccccc3s2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000243893406 206128663 /nfs/dbraw/zinc/12/86/63/206128663.db2.gz AQXLZNYGANFQDI-HDJSIYSDSA-N 1 0 383.521 3.482 50 0 GGAARO O=C(CC[NH+]1CCC(OCc2ccccn2)CC1)Nc1ccc(F)cc1F ZINC000243892434 206129006 /nfs/dbraw/zinc/12/90/06/206129006.db2.gz AIDNDVJFLLHBEC-UHFFFAOYSA-N 1 0 375.419 3.370 50 0 GGAARO Cc1ccccc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000243900992 206129378 /nfs/dbraw/zinc/12/93/78/206129378.db2.gz AYEWETIHSDCTMS-INIZCTEOSA-N 1 0 378.476 3.373 50 0 GGAARO Fc1ccc([C@@H]2CN(CCN3CC[NH+](Cc4ccccc4)CC3)CCO2)cc1 ZINC000244748719 206131192 /nfs/dbraw/zinc/13/11/92/206131192.db2.gz ONBTZMWLZOTDEX-QHCPKHFHSA-N 1 0 383.511 3.017 50 0 GGAARO CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000252694727 206145599 /nfs/dbraw/zinc/14/55/99/206145599.db2.gz OYHSTDNSJRIFFV-HUUCEWRRSA-N 1 0 384.318 3.048 50 0 GGAARO CCCCc1nc(C[NH+]2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)c[nH]1 ZINC000299754963 206184552 /nfs/dbraw/zinc/18/45/52/206184552.db2.gz AFYMSDMFBAAGHR-SFHVURJKSA-N 1 0 376.545 3.038 50 0 GGAARO CCN(CC)C(=O)c1sc2ncnc(NCC[NH+]3CCCCC3)c2c1C ZINC000299757123 206184766 /nfs/dbraw/zinc/18/47/66/206184766.db2.gz MWJILEHYZFOXMX-UHFFFAOYSA-N 1 0 375.542 3.380 50 0 GGAARO O=C(Cc1cccc(F)c1)NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000299768121 206185847 /nfs/dbraw/zinc/18/58/47/206185847.db2.gz GFJIJDBZTVRVMA-OAQYLSRUSA-N 1 0 397.494 3.093 50 0 GGAARO CCOc1ccccc1CN1CCOc2ccc(C[NH+]3CCC(O)CC3)cc2C1 ZINC000299759815 206185966 /nfs/dbraw/zinc/18/59/66/206185966.db2.gz NFZKBUZUVMJLTF-UHFFFAOYSA-N 1 0 396.531 3.437 50 0 GGAARO COc1cccc(-c2cccc(C(=O)NC3CCN(CC[NH+](C)C)CC3)c2)c1 ZINC000299760637 206186196 /nfs/dbraw/zinc/18/61/96/206186196.db2.gz VZXHDRFXDIBICA-UHFFFAOYSA-N 1 0 381.520 3.118 50 0 GGAARO CCOc1ccc2nc(N3CCC([N@H+](C)Cc4cc[nH]n4)CC3)nc(C)c2c1 ZINC000299763631 206186497 /nfs/dbraw/zinc/18/64/97/206186497.db2.gz PSGXFEGRKYAVEZ-UHFFFAOYSA-N 1 0 380.496 3.161 50 0 GGAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(-c3cncc4ccccc43)c2)C[C@H]1O ZINC000299764309 206186889 /nfs/dbraw/zinc/18/68/89/206186889.db2.gz ZKJDFZPTGGFBRH-NZQKXSOJSA-N 1 0 389.499 3.286 50 0 GGAARO C[NH+](C)Cc1ccc(-c2cccc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)c2)nc1 ZINC000299759685 206187041 /nfs/dbraw/zinc/18/70/41/206187041.db2.gz QHPWBXXCKQDTKM-PKTZIBPZSA-N 1 0 387.483 3.198 50 0 GGAARO Cc1ccn2cc(CN3C(=O)CC[C@H]3CC[NH2+]Cc3ccccc3F)nc2c1 ZINC000299758875 206187176 /nfs/dbraw/zinc/18/71/76/206187176.db2.gz DWRKHLHPUGANCT-IBGZPJMESA-N 1 0 380.467 3.453 50 0 GGAARO O=C1CCCN1CCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299773607 206187697 /nfs/dbraw/zinc/18/76/97/206187697.db2.gz GIQJWWPVKQSWSX-OTWHNJEPSA-N 1 0 380.492 3.318 50 0 GGAARO CC(C)CC[C@@]1(C2CC[NH+](Cc3ccc4cccnc4c3)CC2)NC(=O)NC1=O ZINC000299771599 206188284 /nfs/dbraw/zinc/18/82/84/206188284.db2.gz RKCKJWDWOHLBDL-QHCPKHFHSA-N 1 0 394.519 3.461 50 0 GGAARO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC(=O)c2ccc[nH]2)C[C@@]1(C)CO ZINC000299776512 206188701 /nfs/dbraw/zinc/18/87/01/206188701.db2.gz CHPPAVQSJFSEAE-BPAFIMBUSA-N 1 0 375.900 3.232 50 0 GGAARO O=C(Cc1ccc(N2CCC([NH2+]CCc3cscn3)CC2)cc1)N1CCCC1 ZINC000299772729 206188756 /nfs/dbraw/zinc/18/87/56/206188756.db2.gz BQLZMPFYOSNTDN-UHFFFAOYSA-N 1 0 398.576 3.109 50 0 GGAARO Cc1cc(C(=O)N(Cc2cccc(OCC[C@@H]3CCC[N@@H+]3C)c2)C2CC2)n(C)n1 ZINC000299769970 206188892 /nfs/dbraw/zinc/18/88/92/206188892.db2.gz YNAFUDWUGKARSI-IBGZPJMESA-N 1 0 396.535 3.396 50 0 GGAARO O=C1C[C@H](C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)CN1c1ccccc1 ZINC000299768854 206189248 /nfs/dbraw/zinc/18/92/48/206189248.db2.gz MXWGABQAPXSQPG-QGZVFWFLSA-N 1 0 380.492 3.255 50 0 GGAARO CSc1ccccc1NC(=O)N1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000299782476 206190106 /nfs/dbraw/zinc/19/01/06/206190106.db2.gz MWRFQCMBRJSPAP-MRXNPFEDSA-N 1 0 376.570 3.288 50 0 GGAARO O[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[C@H]1Nc1ncccn1 ZINC000299786780 206190468 /nfs/dbraw/zinc/19/04/68/206190468.db2.gz NFQILASEMBJARM-QZTJIDSGSA-N 1 0 384.867 3.437 50 0 GGAARO O=C(NC1CC1)c1cn(CC[C@H]2CCCC[N@@H+]2Cc2cc3ccccc3[nH]2)nn1 ZINC000299792339 206191612 /nfs/dbraw/zinc/19/16/12/206191612.db2.gz GWNZGOFFQAVBLN-LJQANCHMSA-N 1 0 392.507 3.096 50 0 GGAARO O=C1C[C@@H](C[N@H+]2CCCN(Cc3ccccc3F)CC2)CN1c1ccccc1 ZINC000299793112 206191630 /nfs/dbraw/zinc/19/16/30/206191630.db2.gz JZSHBJIWRUXDEP-IBGZPJMESA-N 1 0 381.495 3.387 50 0 GGAARO NC(=O)c1ccc(NC(=O)NC2(C[NH+]3CCCC3)CCCCC2)cc1Cl ZINC000299797086 206191965 /nfs/dbraw/zinc/19/19/65/206191965.db2.gz UBVNWSFJDZOYIB-UHFFFAOYSA-N 1 0 378.904 3.359 50 0 GGAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N(CCCO)Cc1cccnc1 ZINC000299790980 206192176 /nfs/dbraw/zinc/19/21/76/206192176.db2.gz CXJBVCBDMJRKAC-BDTNDASRSA-N 1 0 379.504 3.018 50 0 GGAARO C[NH+](C)CC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000299791938 206192534 /nfs/dbraw/zinc/19/25/34/206192534.db2.gz DRROBBBXQHKRCK-CQSZACIVSA-N 1 0 378.394 3.354 50 0 GGAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)C[C@H]12 ZINC000299801307 206193416 /nfs/dbraw/zinc/19/34/16/206193416.db2.gz ZATWGWNROGEJIG-LDLYASANSA-N 1 0 375.476 3.297 50 0 GGAARO CC(C)COc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299802451 206193489 /nfs/dbraw/zinc/19/34/89/206193489.db2.gz MFCKCYNDICKDCI-GOSISDBHSA-N 1 0 375.513 3.486 50 0 GGAARO CC(C)C[N@@H+]1CCCN(c2nccc(-c3cnn(-c4ccccc4)c3)n2)CC1 ZINC000048115541 206208108 /nfs/dbraw/zinc/20/81/08/206208108.db2.gz FFXFRTJQXVMNNC-UHFFFAOYSA-N 1 0 376.508 3.497 50 0 GGAARO COc1cc2c(cc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)n2C)c(OC)c1 ZINC000409414031 533151929 /nfs/dbraw/zinc/15/19/29/533151929.db2.gz ICGPMAMXUGRERS-UHFFFAOYSA-N 1 0 397.475 3.388 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cccnc3OC)C2)cc1 ZINC000012072796 221146398 /nfs/dbraw/zinc/14/63/98/221146398.db2.gz NRBOLQRBYIKBPC-LJQANCHMSA-N 1 0 397.519 3.126 50 0 GGAARO CN(Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1cnccn1 ZINC000012072496 221147272 /nfs/dbraw/zinc/14/72/72/221147272.db2.gz RCSPGTRTDZEDIG-JOCHJYFZSA-N 1 0 398.551 3.113 50 0 GGAARO CC(C)OCCNC(=O)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012074912 221147953 /nfs/dbraw/zinc/14/79/53/221147953.db2.gz RWPKAFULHDXTDR-UHFFFAOYSA-N 1 0 397.519 3.280 50 0 GGAARO O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000013644356 221278351 /nfs/dbraw/zinc/27/83/51/221278351.db2.gz ZNNBPFITFINRKC-FQEVSTJZSA-N 1 0 397.482 3.470 50 0 GGAARO COc1ccc(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)cc1OCC[NH3+] ZINC000426477575 533285359 /nfs/dbraw/zinc/28/53/59/533285359.db2.gz NWAUIUXQNGJWIB-OAHLLOKOSA-N 1 0 394.475 3.256 50 0 GGAARO COc1ccc2cc(-c3ccc(C(=O)N4CCO[C@@H](C[NH3+])C4)cc3)ccc2c1 ZINC000426424182 533324265 /nfs/dbraw/zinc/32/42/65/533324265.db2.gz CFBZQPRMDRNGNM-QFIPXVFZSA-N 1 0 376.456 3.315 50 0 GGAARO COc1cc(-c2cccc(C(=O)NCC[C@H]3CCC[NH2+]3)c2)cc(OC)c1OC ZINC000426723859 533454138 /nfs/dbraw/zinc/45/41/38/533454138.db2.gz KAXPZFKSAYUPPP-GOSISDBHSA-N 1 0 384.476 3.251 50 0 GGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3c(Cl)n(C)nc3-c3cc(C)on3)[C@H]2C1 ZINC000426389543 533432619 /nfs/dbraw/zinc/43/26/19/533432619.db2.gz YTWLLRUIYLQMTA-ACWOFJMJSA-N 1 0 394.903 3.195 50 0 GGAARO COc1ccc(CN(C)C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1O ZINC000426506846 533526972 /nfs/dbraw/zinc/52/69/72/533526972.db2.gz RCBQHTXAHQDRFH-LJQANCHMSA-N 1 0 383.492 3.032 50 0 GGAARO COc1ccc(CN(C(=O)NCC[NH+]2CCCC2)C2CCCC2)cc1OC ZINC000426442457 533514746 /nfs/dbraw/zinc/51/47/46/533514746.db2.gz AECIAERHJWVMTL-UHFFFAOYSA-N 1 0 375.513 3.254 50 0 GGAARO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409413137 533653499 /nfs/dbraw/zinc/65/34/99/533653499.db2.gz ABVXSWSZNVSTLG-YLJYHZDGSA-N 1 0 384.499 3.447 50 0 GGAARO OCCOc1ccccc1C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000039532968 132391716 /nfs/dbraw/zinc/39/17/16/132391716.db2.gz BHDMUWXRYOOSMB-KRWDZBQOSA-N 1 0 395.425 3.230 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000064800142 136157655 /nfs/dbraw/zinc/15/76/55/136157655.db2.gz FWSYAOKLNJBSTE-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800086 136157678 /nfs/dbraw/zinc/15/76/78/136157678.db2.gz UHJXCQPLXVGQHH-UHFFFAOYSA-N 1 0 380.496 3.048 50 0 GGAARO CCNc1nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(C)[nH+]1 ZINC000065363341 136163448 /nfs/dbraw/zinc/16/34/48/136163448.db2.gz DBEDRRFYDOSMFE-UHFFFAOYSA-N 1 0 392.866 3.363 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3C)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065364097 136163555 /nfs/dbraw/zinc/16/35/55/136163555.db2.gz ZPGWPUFBXBLRFS-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO O=C(c1cccnc1N1CC[NH+](CCc2ccccc2)CC1)N1CCCCC1 ZINC000065507532 136164082 /nfs/dbraw/zinc/16/40/82/136164082.db2.gz AZFLBMUKNRHCNC-UHFFFAOYSA-N 1 0 378.520 3.072 50 0 GGAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000067674000 136164740 /nfs/dbraw/zinc/16/47/40/136164740.db2.gz OFECCGCVMUNXCL-DEOSSOPVSA-N 1 0 399.579 3.133 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1)N1CCCC1 ZINC000071774813 136166752 /nfs/dbraw/zinc/16/67/52/136166752.db2.gz UMSALFXCIDXJMP-MRXNPFEDSA-N 1 0 376.932 3.038 50 0 GGAARO CCc1cc(N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C)n1 ZINC000072163881 136167167 /nfs/dbraw/zinc/16/71/67/136167167.db2.gz UQORHBUGEOOUOJ-NRFANRHFSA-N 1 0 379.552 3.447 50 0 GGAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)nc2cc(F)ccc12 ZINC000072408282 136169563 /nfs/dbraw/zinc/16/95/63/136169563.db2.gz QLKNAPRHCIQVDN-HSZRJFAPSA-N 1 0 398.526 3.453 50 0 GGAARO Cc1nn(C)c2nc(-c3cccnc3)nc(N3CCC([NH+]4CCCCC4)CC3)c12 ZINC000072423553 136169915 /nfs/dbraw/zinc/16/99/15/136169915.db2.gz CCEZMGCGEPLZHB-UHFFFAOYSA-N 1 0 391.523 3.188 50 0 GGAARO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)nc2ccccc12 ZINC000072430347 136170044 /nfs/dbraw/zinc/17/00/44/136170044.db2.gz QWLMZZBGPQUACO-OAQYLSRUSA-N 1 0 396.579 3.289 50 0 GGAARO CCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(N4CCOCC4)c3)CC[C@H]21 ZINC000077406355 136172137 /nfs/dbraw/zinc/17/21/37/136172137.db2.gz FHPXUNRTSAYSAZ-RBBKRZOGSA-N 1 0 385.552 3.136 50 0 GGAARO CSc1nnc(CC2CC[NH+](C3CCN(c4ccccc4)CC3)CC2)n1C ZINC000082096224 136173433 /nfs/dbraw/zinc/17/34/33/136173433.db2.gz GFUGZAGKNJYGGP-UHFFFAOYSA-N 1 0 385.581 3.461 50 0 GGAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000082100147 136173612 /nfs/dbraw/zinc/17/36/12/136173612.db2.gz MTJCGMXIHINQLA-NRFANRHFSA-N 1 0 377.488 3.013 50 0 GGAARO Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000082157814 136174203 /nfs/dbraw/zinc/17/42/03/136174203.db2.gz HEJCZVRYEBBOBF-NRFANRHFSA-N 1 0 378.520 3.093 50 0 GGAARO Cc1cccnc1N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000082157815 136174293 /nfs/dbraw/zinc/17/42/93/136174293.db2.gz HEJCZVRYEBBOBF-OAQYLSRUSA-N 1 0 378.520 3.093 50 0 GGAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000090607876 136176114 /nfs/dbraw/zinc/17/61/14/136176114.db2.gz DEGRPQNLYXCLHD-UHFFFAOYSA-N 1 0 380.427 3.069 50 0 GGAARO FC(F)(F)c1ccc(N2CCC([NH2+]CC3(Cn4cccn4)CC3)CC2)nc1 ZINC000095351984 136177929 /nfs/dbraw/zinc/17/79/29/136177929.db2.gz FXZVLDQGCMKTCG-UHFFFAOYSA-N 1 0 379.430 3.336 50 0 GGAARO CSc1nccc(N2CCC([NH2+]Cc3nc(-c4ccccc4)no3)CC2)n1 ZINC000095380244 136178652 /nfs/dbraw/zinc/17/86/52/136178652.db2.gz GPBHHQQCBBPXIA-UHFFFAOYSA-N 1 0 382.493 3.007 50 0 GGAARO CCCc1cc(N2CCC([N@H+](C)Cc3[nH]nc4c3CCCC4)CC2)nc(C)n1 ZINC000095498840 136179789 /nfs/dbraw/zinc/17/97/89/136179789.db2.gz BFZVDEYFWNMUQA-UHFFFAOYSA-N 1 0 382.556 3.440 50 0 GGAARO Cc1nc2sccc2c(N2CCC([NH2+]Cc3ccc4nonc4c3)CC2)n1 ZINC000095500393 136179851 /nfs/dbraw/zinc/17/98/51/136179851.db2.gz PZGUGWHTOOTGOL-UHFFFAOYSA-N 1 0 380.477 3.295 50 0 GGAARO c1cn(Cc2ccccn2)c(C2CCN(c3cc(N4CCCC4)cn[nH+]3)CC2)n1 ZINC000095529188 136181655 /nfs/dbraw/zinc/18/16/55/136181655.db2.gz JQVQVPGDQSYMIN-UHFFFAOYSA-N 1 0 389.507 3.101 50 0 GGAARO Cc1nccn1CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000095528039 136181758 /nfs/dbraw/zinc/18/17/58/136181758.db2.gz XJDLYUHOLPUVLA-NRFANRHFSA-N 1 0 376.508 3.372 50 0 GGAARO Cc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc3c2OC(F)(F)O3)CC1 ZINC000096135772 136184246 /nfs/dbraw/zinc/18/42/46/136184246.db2.gz NVLPKUUNNNVRKI-UHFFFAOYSA-N 1 0 376.363 3.066 50 0 GGAARO Cc1cc2c(ncnc2N2CCC([NH2+][C@@H]3c4ccccc4C[C@H]3O)CC2)s1 ZINC000096165434 136184815 /nfs/dbraw/zinc/18/48/15/136184815.db2.gz ICTAZVSIQSZOFJ-RTBURBONSA-N 1 0 380.517 3.216 50 0 GGAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](C)C[C@H]12 ZINC000248110952 136192903 /nfs/dbraw/zinc/19/29/03/136192903.db2.gz HILOINODNGRDPM-UNMCSNQZSA-N 1 0 394.906 3.426 50 0 GGAARO COc1ccccc1N1CCC(N2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000104346698 136196748 /nfs/dbraw/zinc/19/67/48/136196748.db2.gz IMVPNRHAFZBRAR-HXUWFJFHSA-N 1 0 389.584 3.079 50 0 GGAARO O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697936 136199782 /nfs/dbraw/zinc/19/97/82/136199782.db2.gz KVVHVPOYDLNRAT-UHFFFAOYSA-N 1 0 394.866 3.231 50 0 GGAARO Cc1ccc(C)c(C(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c1 ZINC000011697963 136199784 /nfs/dbraw/zinc/19/97/84/136199784.db2.gz BGLYODCYYVWUCP-UHFFFAOYSA-N 1 0 388.475 3.194 50 0 GGAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1c(F)cccc1Cl ZINC000011853309 136199872 /nfs/dbraw/zinc/19/98/72/136199872.db2.gz FSARXKLYHQDASW-UHFFFAOYSA-N 1 0 375.875 3.421 50 0 GGAARO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012414245 136200184 /nfs/dbraw/zinc/20/01/84/136200184.db2.gz AHDCFDWLNFOWQI-MNEFBYGVSA-N 1 0 386.458 3.394 50 0 GGAARO COc1cccc(C[N@@H+]2CCN(c3nccc4ccccc43)C[C@H]2CCO)c1 ZINC000106958757 136201763 /nfs/dbraw/zinc/20/17/63/136201763.db2.gz IOOSELUZWJNGCH-HXUWFJFHSA-N 1 0 377.488 3.317 50 0 GGAARO COc1ccc(-c2csc(-n3cc(C4=CC[N@H+](CCO)CC4)cn3)n2)cc1 ZINC000065454666 222130565 /nfs/dbraw/zinc/13/05/65/222130565.db2.gz IGEQBNSXSRCTRM-UHFFFAOYSA-N 1 0 382.489 3.086 50 0 GGAARO O=C(NCc1ccncn1)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000067847781 222163863 /nfs/dbraw/zinc/16/38/63/222163863.db2.gz VBATYEFOPJYYNE-UHFFFAOYSA-N 1 0 380.492 3.192 50 0 GGAARO CC(C)(O)CCc1ccc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000072475454 222265456 /nfs/dbraw/zinc/26/54/56/222265456.db2.gz YAXCFSPNNLAZOC-UHFFFAOYSA-N 1 0 376.566 3.044 50 0 GGAARO COC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@]4(CC[N@H+](C)C4)C3)cc2)c[nH]1 ZINC000426489384 533715175 /nfs/dbraw/zinc/71/51/75/533715175.db2.gz QLJJKNVVGLARKH-JOCHJYFZSA-N 1 0 381.476 3.026 50 0 GGAARO COc1ccccc1CN(Cc1cccc(F)c1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000426487616 534070295 /nfs/dbraw/zinc/07/02/95/534070295.db2.gz WFESRSDLGCZPAR-GOSISDBHSA-N 1 0 385.483 3.498 50 0 GGAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000023153280 520974090 /nfs/dbraw/zinc/97/40/90/520974090.db2.gz ZYHMZRURIGFGQE-QFIPXVFZSA-N 1 0 398.547 3.471 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC(c2ccncc2)C1 ZINC000426386942 534563789 /nfs/dbraw/zinc/56/37/89/534563789.db2.gz RRVQHMMDWDDNQW-FQEVSTJZSA-N 1 0 378.520 3.145 50 0 GGAARO Cc1nn(C)cc1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426649625 534832015 /nfs/dbraw/zinc/83/20/15/534832015.db2.gz LPOSIOUUPJIGDY-OAQYLSRUSA-N 1 0 383.540 3.487 50 0 GGAARO CC(C)(C)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000426433673 526301587 /nfs/dbraw/zinc/30/15/87/526301587.db2.gz PHMKFSCBPMRCIQ-DEOSSOPVSA-N 1 0 399.579 3.239 50 0 GGAARO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[NH2+]Cc1cccc(Cl)c1 ZINC000012612838 527038583 /nfs/dbraw/zinc/03/85/83/527038583.db2.gz BFAAURURNDLRLC-HXUWFJFHSA-N 1 0 376.859 3.122 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)cc1 ZINC000426526316 528092714 /nfs/dbraw/zinc/09/27/14/528092714.db2.gz WLUOTPZVDHINJF-QHCPKHFHSA-N 1 0 393.535 3.191 50 0 GGAARO CCOc1c(CN(C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1OC ZINC000426715825 528166191 /nfs/dbraw/zinc/16/61/91/528166191.db2.gz FGBPPDQUUSZHKA-QGZVFWFLSA-N 1 0 377.529 3.356 50 0 GGAARO CC(C)c1nc(CCN(C)C(=O)NCC2CC[NH+](C3CCCC3)CC2)no1 ZINC000426549067 528267936 /nfs/dbraw/zinc/26/79/36/528267936.db2.gz GFPIHAQMBOEIBJ-UHFFFAOYSA-N 1 0 377.533 3.032 50 0 GGAARO CC[NH+]1CCC(N(CCc2ccccn2)C(=O)NCc2ccc(O)cc2)CC1 ZINC000426535449 528973563 /nfs/dbraw/zinc/97/35/63/528973563.db2.gz JKPXFURGVNBNFK-UHFFFAOYSA-N 1 0 382.508 3.026 50 0 GGAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccc(OC)c(CO)c3)cc2)C1 ZINC000426701580 529086214 /nfs/dbraw/zinc/08/62/14/529086214.db2.gz ITDCHUJARWPFIY-QGZVFWFLSA-N 1 0 382.504 3.316 50 0 GGAARO CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000426471694 529120155 /nfs/dbraw/zinc/12/01/55/529120155.db2.gz TUSPFIDDMNXEFX-JOCHJYFZSA-N 1 0 377.573 3.186 50 0 GGAARO CC(C)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000426471699 529120169 /nfs/dbraw/zinc/12/01/69/529120169.db2.gz TUSPFIDDMNXEFX-QFIPXVFZSA-N 1 0 377.573 3.186 50 0 GGAARO CCN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426395460 529121331 /nfs/dbraw/zinc/12/13/31/529121331.db2.gz XSFUZVDFEOGNJD-HSZRJFAPSA-N 1 0 385.552 3.103 50 0 GGAARO CC[N@@H+]1CCCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)CC1 ZINC000072419488 535518964 /nfs/dbraw/zinc/51/89/64/535518964.db2.gz ZKDRXIRRXBNOBY-NRFANRHFSA-N 1 0 382.552 3.032 50 0 GGAARO CCn1ncnc1[C@H](C)[NH2+]C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000095505634 535909405 /nfs/dbraw/zinc/90/94/05/535909405.db2.gz UEJUXODBRBWDNZ-ZDUSSCGKSA-N 1 0 385.541 3.239 50 0 GGAARO C[NH+](C)Cc1ccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nc1 ZINC000091254861 536011903 /nfs/dbraw/zinc/01/19/03/536011903.db2.gz ONOBTPHHNTZAQT-HXUWFJFHSA-N 1 0 376.508 3.167 50 0 GGAARO C[NH+](C)Cc1ccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)nc1 ZINC000091526688 536013740 /nfs/dbraw/zinc/01/37/40/536013740.db2.gz LXRBKYWBUCYOCC-HXUWFJFHSA-N 1 0 376.508 3.167 50 0 GGAARO COCCCN1C(=O)CC[C@H]2C[N@H+](C3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000072463757 536540933 /nfs/dbraw/zinc/54/09/33/536540933.db2.gz BMGDCEMYDVIIQR-SIKLNZKXSA-N 1 0 385.552 3.005 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000064045104 536721809 /nfs/dbraw/zinc/72/18/09/536721809.db2.gz PNMRBZNXRZZKAL-NRFANRHFSA-N 1 0 397.494 3.261 50 0 GGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(c3ncncc3C(C)C)C2)CC1 ZINC000072164439 537071321 /nfs/dbraw/zinc/07/13/21/537071321.db2.gz AVENMUROIIEPHO-IBGZPJMESA-N 1 0 395.551 3.400 50 0 GGAARO CCCSc1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CC(C)(C)OC3 ZINC000002433094 564187220 /nfs/dbraw/zinc/18/72/20/564187220.db2.gz DGOHPCXBAKGGRO-UHFFFAOYSA-N 1 0 378.567 3.454 50 0 GGAARO Cc1nn(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1Br ZINC000002781191 564190548 /nfs/dbraw/zinc/19/05/48/564190548.db2.gz FKHKBVLNEZCOAT-UHFFFAOYSA-N 1 0 385.350 3.078 50 0 GGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOc2ccccc2Br)C1 ZINC000004942411 564209134 /nfs/dbraw/zinc/20/91/34/564209134.db2.gz VMUMPMNLXWFPPX-OAGGEKHMSA-N 1 0 386.330 3.183 50 0 GGAARO COc1ccc(Br)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005010323 564211262 /nfs/dbraw/zinc/21/12/62/564211262.db2.gz QRILCSKQLJILCX-KGLIPLIRSA-N 1 0 389.293 3.239 50 0 GGAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Cl)CC1 ZINC000013326350 564275501 /nfs/dbraw/zinc/27/55/01/564275501.db2.gz AQJKIMWWLRDZTQ-LLVKDONJSA-N 1 0 389.721 3.470 50 0 GGAARO Cc1c2ccc(Br)cc2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013690685 564278029 /nfs/dbraw/zinc/27/80/29/564278029.db2.gz FYSAOIKQPHEGJK-UHFFFAOYSA-N 1 0 393.281 3.398 50 0 GGAARO CSCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014995251 564284144 /nfs/dbraw/zinc/28/41/44/564284144.db2.gz URZCDTLQYOPPTE-CQSZACIVSA-N 1 0 384.929 3.293 50 0 GGAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH2+]CC1 ZINC000019345968 564303178 /nfs/dbraw/zinc/30/31/78/564303178.db2.gz GYQMDAQDWPSPEP-HNNXBMFYSA-N 1 0 378.303 3.367 50 0 GGAARO Ic1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000019607367 564303467 /nfs/dbraw/zinc/30/34/67/564303467.db2.gz LSMNNXZFAHXHAH-UHFFFAOYSA-N 1 0 375.250 3.173 50 0 GGAARO c1ccc(N2CCN([C@@H]3CCC[N@H+](C4CSCCSC4)C3)CC2)cc1 ZINC000019940027 564304437 /nfs/dbraw/zinc/30/44/37/564304437.db2.gz YUGXEEFKCVPQQY-LJQANCHMSA-N 1 0 377.623 3.122 50 0 GGAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](C2CSCCSC2)CC1 ZINC000020207042 564305240 /nfs/dbraw/zinc/30/52/40/564305240.db2.gz PSMADNNVTNHFFZ-UHFFFAOYSA-N 1 0 382.599 3.353 50 0 GGAARO CCOc1ccc(C(=O)N[C@H](NCCC[NH+](C)C)C(Cl)(Cl)Cl)cc1 ZINC000020149980 564305324 /nfs/dbraw/zinc/30/53/24/564305324.db2.gz BRZXVVREFZWPHD-HNNXBMFYSA-N 1 0 396.746 3.053 50 0 GGAARO Cc1cc(Cl)c(OCCC[NH2+]CCN2CCOCC2)c(Br)c1 ZINC000020482115 564306610 /nfs/dbraw/zinc/30/66/10/564306610.db2.gz UYPGTPDLHOWKBV-UHFFFAOYSA-N 1 0 391.737 3.102 50 0 GGAARO Cc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023000338 564321431 /nfs/dbraw/zinc/32/14/31/564321431.db2.gz PHMDXRQOBDXUAF-UHFFFAOYSA-N 1 0 382.913 3.432 50 0 GGAARO Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)ccc1F ZINC000023127724 564322345 /nfs/dbraw/zinc/32/23/45/564322345.db2.gz CVQXHZKHOLJKSF-UHFFFAOYSA-N 1 0 382.526 3.386 50 0 GGAARO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000035622943 564416347 /nfs/dbraw/zinc/41/63/47/564416347.db2.gz OYHSTDNSJRIFFV-CABCVRRESA-N 1 0 384.318 3.048 50 0 GGAARO O=S(=O)(Cc1cccc(F)c1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043944387 564462659 /nfs/dbraw/zinc/46/26/59/564462659.db2.gz UYDJKOGPNZGGFN-UHFFFAOYSA-N 1 0 382.526 3.219 50 0 GGAARO O=S(=O)(CCc1ccccc1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043944376 564462978 /nfs/dbraw/zinc/46/29/78/564462978.db2.gz JCSOUDVOKKDZLI-UHFFFAOYSA-N 1 0 378.563 3.122 50 0 GGAARO Cn1nccc1CC[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095525582 564900178 /nfs/dbraw/zinc/90/01/78/564900178.db2.gz FDUZJHDNJROYOP-UHFFFAOYSA-N 1 0 375.929 3.484 50 0 GGAARO Cc1ncc(C[NH2+]CCO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095477409 564900385 /nfs/dbraw/zinc/90/03/85/564900385.db2.gz KZTNIXLMGQPGDY-UHFFFAOYSA-N 1 0 389.249 3.212 50 0 GGAARO C[N@@H+]1CCN(Cc2sc3ccccc3c2Cl)C[C@@]12CCNC(=O)CC2 ZINC000107400830 564999243 /nfs/dbraw/zinc/99/92/43/564999243.db2.gz XHYGDYUDOCHLRD-LJQANCHMSA-N 1 0 377.941 3.341 50 0 GGAARO Clc1cc(Br)ccc1OCC[NH+]1CCC2(CC1)OCCO2 ZINC000230551816 565928540 /nfs/dbraw/zinc/92/85/40/565928540.db2.gz LWESTEYXFRAMIW-UHFFFAOYSA-N 1 0 376.678 3.320 50 0 GGAARO O=C(Cc1ccc(Br)cc1)N1CC(N2CCc3ccccc3C2)C1 ZINC000244933088 565987229 /nfs/dbraw/zinc/98/72/29/565987229.db2.gz CAPLKUBLBMFVSQ-UHFFFAOYSA-N 1 0 385.305 3.261 50 0 GGAARO C[C@@]([NH3+])(C(=O)Nc1cc2c([nH]c1=O)CCCC2)c1ccc(Br)cc1 ZINC000653192216 566657563 /nfs/dbraw/zinc/65/75/63/566657563.db2.gz IZGSEQHRBPLZEJ-SFHVURJKSA-N 1 0 390.281 3.241 50 0 GGAARO Cc1nc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)n(CCc2ccccc2)n1 ZINC000096130793 570210699 /nfs/dbraw/zinc/21/06/99/570210699.db2.gz UFSQTZVDPIDGFD-UHFFFAOYSA-N 1 0 375.520 3.244 50 0 GGAARO O[C@@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2 ZINC000000623175 570211122 /nfs/dbraw/zinc/21/11/22/570211122.db2.gz IHLILNZOBCUZJY-JOCHJYFZSA-N 1 0 383.443 3.247 50 0 GGAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3cc(C)ccc3C)CC2)n1C ZINC000096131942 570211591 /nfs/dbraw/zinc/21/15/91/570211591.db2.gz HOHUETBFMHRDGZ-UHFFFAOYSA-N 1 0 378.524 3.365 50 0 GGAARO C[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000096133061 570211739 /nfs/dbraw/zinc/21/17/39/570211739.db2.gz BJRAICLKMLLOKN-IBGZPJMESA-N 1 0 380.492 3.333 50 0 GGAARO O=C(NCCC[NH+]1CCC(O)CC1)Nc1ccccc1OCc1ccccc1 ZINC000096133754 570211829 /nfs/dbraw/zinc/21/18/29/570211829.db2.gz DUVPHBSGPMXTEB-UHFFFAOYSA-N 1 0 383.492 3.234 50 0 GGAARO COc1ccc(OC)c(NC(=O)NC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000096133195 570211888 /nfs/dbraw/zinc/21/18/88/570211888.db2.gz QLVFBFBCNLISGY-UHFFFAOYSA-N 1 0 379.526 3.185 50 0 GGAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1cccc(-c2ccco2)c1 ZINC000096136898 570212015 /nfs/dbraw/zinc/21/20/15/570212015.db2.gz AGPAZEGYVCZZMN-SFHVURJKSA-N 1 0 384.480 3.011 50 0 GGAARO CCOc1ccccc1C[NH+]1CCC(c2nnc(CN3CCCC3)n2C)CC1 ZINC000096137754 570212248 /nfs/dbraw/zinc/21/22/48/570212248.db2.gz BNSDCFRGBMUVTE-UHFFFAOYSA-N 1 0 383.540 3.189 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccc(-n4cccn4)c3)C[C@@H]2CCO)cc1 ZINC000019742720 570212769 /nfs/dbraw/zinc/21/27/69/570212769.db2.gz SPVFETZQFJTFAQ-DEOSSOPVSA-N 1 0 390.531 3.250 50 0 GGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(CSC)o1)CC2 ZINC000096141477 570213180 /nfs/dbraw/zinc/21/31/80/570213180.db2.gz BOUPSVLXMSNAEP-UHFFFAOYSA-N 1 0 388.537 3.265 50 0 GGAARO COc1ccc(-n2nc(C3(c4ccccc4)CC3)nc2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096141566 570213208 /nfs/dbraw/zinc/21/32/08/570213208.db2.gz XMYYMNWIGZBPRN-IBGZPJMESA-N 1 0 376.460 3.017 50 0 GGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000096148182 570214559 /nfs/dbraw/zinc/21/45/59/570214559.db2.gz QYXBNDOUADHPKP-NRFANRHFSA-N 1 0 397.563 3.117 50 0 GGAARO COc1ccc([C@@H]([NH3+])Cc2nc(C)nn2C2Cc3ccccc3C2)cc1OC ZINC000096150142 570214969 /nfs/dbraw/zinc/21/49/69/570214969.db2.gz WCSXEUDGWXCCQH-IBGZPJMESA-N 1 0 378.476 3.186 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccc(C)cc3)C[C@@H]2CCO)cc(OC)c1 ZINC000019759939 570216842 /nfs/dbraw/zinc/21/68/42/570216842.db2.gz QLPNTVZUUJOJPQ-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO C[NH+](C)C[C@@H]1COCCN(C(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000096162240 570216854 /nfs/dbraw/zinc/21/68/54/570216854.db2.gz CMPNFVJQSXBWEI-AIADIJKESA-N 1 0 380.492 3.294 50 0 GGAARO COc1c[nH]c(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)cc1=O ZINC000096162211 570216989 /nfs/dbraw/zinc/21/69/89/570216989.db2.gz ORZKTODXYFLVRB-LJQANCHMSA-N 1 0 395.503 3.024 50 0 GGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)Nc2ccc3c(c2)C(=O)OC3)C1 ZINC000096163373 570217279 /nfs/dbraw/zinc/21/72/79/570217279.db2.gz HNRRRKOEGJHRNE-MRXNPFEDSA-N 1 0 379.460 3.276 50 0 GGAARO COc1ccc(C(C)=O)cc1NC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000096165191 570217773 /nfs/dbraw/zinc/21/77/73/570217773.db2.gz SBHIWARDXOTPPV-UHFFFAOYSA-N 1 0 382.464 3.345 50 0 GGAARO C[NH+]1CCC(Oc2ccc(NC(=O)NCCOc3ccc(F)cc3)cc2)CC1 ZINC000096164681 570217934 /nfs/dbraw/zinc/21/79/34/570217934.db2.gz PCQIHADVLCASAL-UHFFFAOYSA-N 1 0 387.455 3.499 50 0 GGAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000096167207 570218114 /nfs/dbraw/zinc/21/81/14/570218114.db2.gz DAFSZCNJGHBJDA-UHFFFAOYSA-N 1 0 382.487 3.370 50 0 GGAARO NC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000096180394 570218796 /nfs/dbraw/zinc/21/87/96/570218796.db2.gz PKINAECGDBYFIS-MRXNPFEDSA-N 1 0 386.883 3.225 50 0 GGAARO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019790346 570219146 /nfs/dbraw/zinc/21/91/46/570219146.db2.gz GUYQLGJNJTVZQJ-HXUWFJFHSA-N 1 0 378.875 3.179 50 0 GGAARO CC(C)[NH+]1CCN(C(=O)C[C@H](c2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000019792975 570219434 /nfs/dbraw/zinc/21/94/34/570219434.db2.gz RSOONGZBCYTOSN-HXUWFJFHSA-N 1 0 380.488 3.490 50 0 GGAARO COc1cccc2c1OCC(CN1CC[N@H+](Cc3ccccc3)[C@@H](CCO)C1)=C2 ZINC000019792829 570219521 /nfs/dbraw/zinc/21/95/21/570219521.db2.gz ASKFWLMRHTYFIN-QFIPXVFZSA-N 1 0 394.515 3.040 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)c1 ZINC000019795264 570219973 /nfs/dbraw/zinc/21/99/73/570219973.db2.gz SFBRRCXVCODPRZ-QFIPXVFZSA-N 1 0 391.515 3.312 50 0 GGAARO CCCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(OC)cc3)C2=O)cc1 ZINC000019809322 570221078 /nfs/dbraw/zinc/22/10/78/570221078.db2.gz NZRQKYNIDSYUBT-NRFANRHFSA-N 1 0 396.487 3.338 50 0 GGAARO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000000783046 570223223 /nfs/dbraw/zinc/22/32/23/570223223.db2.gz FRMFDAOHDIRWBV-DOTOQJQBSA-N 1 0 376.497 3.049 50 0 GGAARO O[C@H](CSc1ccccc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019834673 570223780 /nfs/dbraw/zinc/22/37/80/570223780.db2.gz AUFBUFJSMWPMLU-INIZCTEOSA-N 1 0 397.466 3.376 50 0 GGAARO OCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000019841192 570224705 /nfs/dbraw/zinc/22/47/05/570224705.db2.gz UWCGTXORFOLUAH-HSZRJFAPSA-N 1 0 394.494 3.080 50 0 GGAARO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@@H](O)CO ZINC000019852999 570225689 /nfs/dbraw/zinc/22/56/89/570225689.db2.gz BYNLYDGBZXMKMC-HXUWFJFHSA-N 1 0 391.471 3.130 50 0 GGAARO Cc1ccccc1-c1ncc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cn1 ZINC000012432708 570232256 /nfs/dbraw/zinc/23/22/56/570232256.db2.gz GVRCPYCBOJNUCX-FGZHOGPDSA-N 1 0 380.536 3.263 50 0 GGAARO O=C1[C@H]2[C@H](C(=O)N1CC[NH+]1CCCCC1)C1c3ccccc3C2c2ccccc21 ZINC000000988071 570233428 /nfs/dbraw/zinc/23/34/28/570233428.db2.gz SYTOQWJOLCMWER-BWWMBTDCSA-N 1 0 386.495 3.365 50 0 GGAARO C[NH+](C)CCN1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000097288770 570240477 /nfs/dbraw/zinc/24/04/77/570240477.db2.gz JBSQYDNXDATCGV-UHFFFAOYSA-N 1 0 386.471 3.329 50 0 GGAARO OC[C@H]1C[N@H+](C/C=C/c2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097272516 570240574 /nfs/dbraw/zinc/24/05/74/570240574.db2.gz IGIIJSDJFUAYOV-HXRGIAOBSA-N 1 0 380.536 3.020 50 0 GGAARO OC[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097272515 570240637 /nfs/dbraw/zinc/24/06/37/570240637.db2.gz IGIIJSDJFUAYOV-XBGMYJNYSA-N 1 0 380.536 3.020 50 0 GGAARO C[C@@H](O)c1cn(C2CC[NH+](Cc3cccn3-c3ccc(Cl)cn3)CC2)nn1 ZINC000020149423 570243980 /nfs/dbraw/zinc/24/39/80/570243980.db2.gz MJDYVLJPRQRMCU-CQSZACIVSA-N 1 0 386.887 3.008 50 0 GGAARO Cc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097492574 570245002 /nfs/dbraw/zinc/24/50/02/570245002.db2.gz CPMJFKWRHPPPQT-HXUWFJFHSA-N 1 0 382.508 3.463 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)C4CCC4)C[C@@H]3CO)CC2)s1 ZINC000097499642 570245008 /nfs/dbraw/zinc/24/50/08/570245008.db2.gz PAARWXLOULNVBN-GOSISDBHSA-N 1 0 376.566 3.280 50 0 GGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000097514273 570245301 /nfs/dbraw/zinc/24/53/01/570245301.db2.gz SANOFWOJRCKEGG-UHFFFAOYSA-N 1 0 375.476 3.208 50 0 GGAARO CCn1ncc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1C ZINC000020211340 570248240 /nfs/dbraw/zinc/24/82/40/570248240.db2.gz YRLVRAXSLRHZKR-NRFANRHFSA-N 1 0 397.567 3.007 50 0 GGAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1cccs1 ZINC000020228412 570249092 /nfs/dbraw/zinc/24/90/92/570249092.db2.gz WKNDVXARCUXVMQ-UHFFFAOYSA-N 1 0 396.940 3.411 50 0 GGAARO OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@@H+]1C1CCCCC1 ZINC000020236241 570249513 /nfs/dbraw/zinc/24/95/13/570249513.db2.gz VVXVXPPXCQDTJB-KRWDZBQOSA-N 1 0 380.916 3.270 50 0 GGAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCN(C)CC1)c(C)n2Cc1ccccc1 ZINC000020290499 570251577 /nfs/dbraw/zinc/25/15/77/570251577.db2.gz DWXLJJKNPWNOIK-QHCPKHFHSA-N 1 0 393.531 3.287 50 0 GGAARO Cc1cccc(-n2nc(COc3ccccc3)nc2[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000097743513 570252525 /nfs/dbraw/zinc/25/25/25/570252525.db2.gz WJXKQOBXANWCIJ-SFHVURJKSA-N 1 0 375.476 3.407 50 0 GGAARO CCC[NH+]1CCC2(CCN(C(=O)c3ccc(CSC)o3)C[C@@H]2CO)CC1 ZINC000097756342 570252923 /nfs/dbraw/zinc/25/29/23/570252923.db2.gz GBTIOQTYPCLNDM-MRXNPFEDSA-N 1 0 380.554 3.089 50 0 GGAARO CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000053287646 570253939 /nfs/dbraw/zinc/25/39/39/570253939.db2.gz UISKASFIXQBFMN-ZOCZFRKYSA-N 1 0 399.535 3.452 50 0 GGAARO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1 ZINC000020406567 570254444 /nfs/dbraw/zinc/25/44/44/570254444.db2.gz LEQDQZLWZKNJSE-HXUWFJFHSA-N 1 0 388.471 3.070 50 0 GGAARO CC(=O)c1ccc2[nH]c(C)c(CN3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793392 570254772 /nfs/dbraw/zinc/25/47/72/570254772.db2.gz IBODJNQMWKMJPU-UHFFFAOYSA-N 1 0 389.499 3.357 50 0 GGAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000097773251 570254958 /nfs/dbraw/zinc/25/49/58/570254958.db2.gz XQNINRFFLSSRIY-HXUWFJFHSA-N 1 0 376.504 3.319 50 0 GGAARO C[NH+]1CCN(CCCNC(=O)c2ccccc2SCc2ccccc2)CC1 ZINC000022933762 570254992 /nfs/dbraw/zinc/25/49/92/570254992.db2.gz KMZYASCFXFXGIA-UHFFFAOYSA-N 1 0 383.561 3.346 50 0 GGAARO Cc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CCO)o1 ZINC000104635737 570255857 /nfs/dbraw/zinc/25/58/57/570255857.db2.gz PMTSMFKRHVDVLB-HSZRJFAPSA-N 1 0 397.563 3.121 50 0 GGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)CC1 ZINC000020450269 570256811 /nfs/dbraw/zinc/25/68/11/570256811.db2.gz RRLKGRFPJIGWSE-HXUWFJFHSA-N 1 0 397.567 3.328 50 0 GGAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000097805696 570256809 /nfs/dbraw/zinc/25/68/09/570256809.db2.gz PAJUULQPBAMWQV-UHFFFAOYSA-N 1 0 377.488 3.489 50 0 GGAARO CCOCc1cc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)ccc1OC ZINC000020450673 570256862 /nfs/dbraw/zinc/25/68/62/570256862.db2.gz LEOSRNVVVWZYSL-NRFANRHFSA-N 1 0 378.557 3.146 50 0 GGAARO COc1ccc(CN2CC[N@@H+](C3CCSCC3)C[C@H]2CCO)c(C)c1C ZINC000104331012 570257181 /nfs/dbraw/zinc/25/71/81/570257181.db2.gz NBCVNIUPYTUBQC-HXUWFJFHSA-N 1 0 378.582 3.076 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@H]1CCO ZINC000104373790 570257950 /nfs/dbraw/zinc/25/79/50/570257950.db2.gz NEQNWPKJVCSSHT-LJQANCHMSA-N 1 0 388.943 3.361 50 0 GGAARO COc1cc(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020455214 570258642 /nfs/dbraw/zinc/25/86/42/570258642.db2.gz NAMLHHQXAPISTO-QFIPXVFZSA-N 1 0 398.547 3.205 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1CCO ZINC000104482950 570259053 /nfs/dbraw/zinc/25/90/53/570259053.db2.gz AVNOAEDUCJYRKJ-XMMPIXPASA-N 1 0 390.531 3.250 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3OC)C[C@H]2CCO)cc1C ZINC000104499296 570259454 /nfs/dbraw/zinc/25/94/54/570259454.db2.gz ZYYGVHIVVICNTF-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000104518113 570260210 /nfs/dbraw/zinc/26/02/10/570260210.db2.gz RTLJKOWTXPIYGW-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CCO)c(F)c1 ZINC000104512899 570260247 /nfs/dbraw/zinc/26/02/47/570260247.db2.gz RPJVKEPYIFHZLM-OAQYLSRUSA-N 1 0 386.511 3.336 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1CCO ZINC000020481798 570261922 /nfs/dbraw/zinc/26/19/22/570261922.db2.gz MVYZKBFSMFAECS-NRFANRHFSA-N 1 0 388.943 3.361 50 0 GGAARO O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000020508712 570264483 /nfs/dbraw/zinc/26/44/83/570264483.db2.gz IPBLVALFFYHBMB-QPJJXVBHSA-N 1 0 383.923 3.287 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O ZINC000020533308 570265340 /nfs/dbraw/zinc/26/53/40/570265340.db2.gz JZAHLXOLUUBHNR-WKSXIXGESA-N 1 0 375.472 3.288 50 0 GGAARO Cc1cccc(-n2ccnc2CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020534145 570265753 /nfs/dbraw/zinc/26/57/53/570265753.db2.gz RNPKVVQQPQJIEA-QHCPKHFHSA-N 1 0 390.531 3.250 50 0 GGAARO COc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1O ZINC000020535510 570265775 /nfs/dbraw/zinc/26/57/75/570265775.db2.gz DRDJEXNHHCQXNI-OAQYLSRUSA-N 1 0 399.510 3.327 50 0 GGAARO COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020536045 570266170 /nfs/dbraw/zinc/26/61/70/570266170.db2.gz GDEMTWPLPJSOBH-KRWDZBQOSA-N 1 0 382.932 3.256 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020537639 570266198 /nfs/dbraw/zinc/26/61/98/570266198.db2.gz RTLJKOWTXPIYGW-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1CCc1ccccc1 ZINC000020536005 570266282 /nfs/dbraw/zinc/26/62/82/570266282.db2.gz YIFFMFYODFRCCI-RUZDIDTESA-N 1 0 393.575 3.267 50 0 GGAARO CCn1cc(-c2cc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c3ccc(C)cc3n2)cn1 ZINC000020543348 570266984 /nfs/dbraw/zinc/26/69/84/570266984.db2.gz XPNMDLBJRLECRD-QGZVFWFLSA-N 1 0 377.492 3.251 50 0 GGAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000020567556 570268311 /nfs/dbraw/zinc/26/83/11/570268311.db2.gz QXSQQJVFJWOTNB-NRFANRHFSA-N 1 0 391.471 3.339 50 0 GGAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccccc4)nc3c12 ZINC000020573638 570268839 /nfs/dbraw/zinc/26/88/39/570268839.db2.gz TVAQICCVOUSXRK-UHFFFAOYSA-N 1 0 390.491 3.085 50 0 GGAARO COc1cc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cc(Cl)c1OC ZINC000020598553 570269756 /nfs/dbraw/zinc/26/97/56/570269756.db2.gz JZEVVYVAIVYFNQ-KRWDZBQOSA-N 1 0 384.948 3.272 50 0 GGAARO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000584901470 570270999 /nfs/dbraw/zinc/27/09/99/570270999.db2.gz XNFCFRYLAOMYKN-FQEVSTJZSA-N 1 0 375.488 3.031 50 0 GGAARO COc1ccc2c(c1)CCN(C(=O)NC[C@H]1CCC[N@H+](Cc3ccco3)C1)C2 ZINC000584902796 570272057 /nfs/dbraw/zinc/27/20/57/570272057.db2.gz YGCMFSQHIRQGMP-QGZVFWFLSA-N 1 0 383.492 3.268 50 0 GGAARO Cc1cccc(CNC(=O)c2cccc(-c3cccc(N4CC[NH2+]CC4)c3)c2)n1 ZINC000584903512 570273075 /nfs/dbraw/zinc/27/30/75/570273075.db2.gz KCOBRQCEXIDPNF-UHFFFAOYSA-N 1 0 386.499 3.397 50 0 GGAARO CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@@H+]2[C@@]12c1ccccc1NC2=O ZINC000214078886 570279619 /nfs/dbraw/zinc/27/96/19/570279619.db2.gz ULFMCIGWGKGASG-SRYPRDQNSA-N 1 0 376.456 3.275 50 0 GGAARO CCc1ccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020906115 570283781 /nfs/dbraw/zinc/28/37/81/570283781.db2.gz ZSVXHYIGWXTMFN-QFIPXVFZSA-N 1 0 398.547 3.335 50 0 GGAARO COc1cccc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1OC ZINC000020909237 570284109 /nfs/dbraw/zinc/28/41/09/570284109.db2.gz NGVROKCGSKDCKK-QFIPXVFZSA-N 1 0 398.547 3.205 50 0 GGAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1ccccc1 ZINC000020914200 570284461 /nfs/dbraw/zinc/28/44/61/570284461.db2.gz NLBDEHFBEXFIAX-JOCHJYFZSA-N 1 0 397.538 3.363 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc1OC ZINC000020911340 570284658 /nfs/dbraw/zinc/28/46/58/570284658.db2.gz AEEMKZGOMJZRQN-QFIPXVFZSA-N 1 0 398.547 3.205 50 0 GGAARO COc1ccc(-c2ncc(C[NH2+][C@@H]3COc4c(cccc4OC)C3)cn2)cc1 ZINC000020917645 570285084 /nfs/dbraw/zinc/28/50/84/570285084.db2.gz RNKYJNPXMHJEBZ-SFHVURJKSA-N 1 0 377.444 3.254 50 0 GGAARO C[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccc(Cl)cc21 ZINC000020992126 570286255 /nfs/dbraw/zinc/28/62/55/570286255.db2.gz WFSUOFVOZBYOPV-AWEZNQCLSA-N 1 0 397.910 3.455 50 0 GGAARO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCCN(Cc4c[nH]cn4)C3)CC2)c1 ZINC000020993872 570286320 /nfs/dbraw/zinc/28/63/20/570286320.db2.gz YFXIEAQWLLZFBD-IBGZPJMESA-N 1 0 393.457 3.215 50 0 GGAARO Cn1c(CCNC(=O)C[NH+]2CCC(c3ccccc3)CC2)nc2ccccc21 ZINC000215205989 570286343 /nfs/dbraw/zinc/28/63/43/570286343.db2.gz CACXSHIKDQDCMW-UHFFFAOYSA-N 1 0 376.504 3.112 50 0 GGAARO COc1cc(CN2CC[N@@H+](C3CCCCCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000020998471 570286891 /nfs/dbraw/zinc/28/68/91/570286891.db2.gz GMBSIKCCYNYIQS-FQEVSTJZSA-N 1 0 376.541 3.295 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+](C2CSCCSC2)C1)c1cc2ccccc2[nH]1 ZINC000020999561 570287305 /nfs/dbraw/zinc/28/73/05/570287305.db2.gz RSAXLXPHFYLKMA-HNNXBMFYSA-N 1 0 389.590 3.458 50 0 GGAARO CCOC(=O)CCCCC(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515265 570289211 /nfs/dbraw/zinc/28/92/11/570289211.db2.gz GYVCNVDGTHUSPG-UHFFFAOYSA-N 1 0 389.492 3.332 50 0 GGAARO Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000215521367 570289437 /nfs/dbraw/zinc/28/94/37/570289437.db2.gz TXUSKHNFOVEIEL-UHFFFAOYSA-N 1 0 375.513 3.279 50 0 GGAARO Cc1c(NC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cccc1C(=O)N1CCCC1 ZINC000102641243 570291141 /nfs/dbraw/zinc/29/11/41/570291141.db2.gz DLKSQILBOWPQCQ-YRWFTTLQSA-N 1 0 384.524 3.035 50 0 GGAARO Cc1ccc([C@H](CNC(=O)CCCN2CCCC2=O)[NH+]2CCC(C)CC2)cc1 ZINC000215830818 570292112 /nfs/dbraw/zinc/29/21/12/570292112.db2.gz LTPYAGPUMMQMJO-NRFANRHFSA-N 1 0 385.552 3.287 50 0 GGAARO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C1 ZINC000215855356 570292374 /nfs/dbraw/zinc/29/23/74/570292374.db2.gz UXZZKFBGPYMQNV-LJQANCHMSA-N 1 0 378.516 3.113 50 0 GGAARO C[NH+](C)CCNC(=O)/C(=C/c1ccc(C(C)(C)C)cc1)NC(=O)c1ccccc1 ZINC000002678690 570294809 /nfs/dbraw/zinc/29/48/09/570294809.db2.gz FSHRRPCJBOTHGM-FXBPSFAMSA-N 1 0 393.531 3.433 50 0 GGAARO CN1CC[N@H+](C)[C@@H](CC(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1 ZINC000216622111 570303725 /nfs/dbraw/zinc/30/37/25/570303725.db2.gz WLWLVNPZVLSABE-QHCPKHFHSA-N 1 0 391.559 3.231 50 0 GGAARO Cn1cc([C@@H](CNS(=O)(=O)c2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000021696007 570305966 /nfs/dbraw/zinc/30/59/66/570305966.db2.gz KDEMAGFMCOFIIH-GOSISDBHSA-N 1 0 391.924 3.413 50 0 GGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[N@@H+](C)[C@@H](CCO)C1 ZINC000106727815 570306931 /nfs/dbraw/zinc/30/69/31/570306931.db2.gz QZLHEZYXZURGFB-INIZCTEOSA-N 1 0 383.414 3.167 50 0 GGAARO Cc1cccc(C(=O)NCCC[NH+](C)CCCNC(=O)c2cccc(C)c2)c1 ZINC000002850352 570308372 /nfs/dbraw/zinc/30/83/72/570308372.db2.gz MWPXPGOYDOXJSO-UHFFFAOYSA-N 1 0 381.520 3.175 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH+]3CCC(C)CC3)cc21 ZINC000002852623 570309190 /nfs/dbraw/zinc/30/91/90/570309190.db2.gz NCNIMMCOJSVWBM-KRWDZBQOSA-N 1 0 388.508 3.135 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000002886160 570316609 /nfs/dbraw/zinc/31/66/09/570316609.db2.gz AXJTVTCHZIWDTQ-UHFFFAOYSA-N 1 0 389.912 3.324 50 0 GGAARO CCC[NH+](CCC)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002988127 570323640 /nfs/dbraw/zinc/32/36/40/570323640.db2.gz TYLACAIWUYCANB-HXUWFJFHSA-N 1 0 390.549 3.365 50 0 GGAARO COc1cc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000001667893 570326728 /nfs/dbraw/zinc/32/67/28/570326728.db2.gz VWAPAZBPOSWCSD-UHFFFAOYSA-N 1 0 377.437 3.028 50 0 GGAARO c1nn(Cc2ccccc2)c2ncnc(N3CC[NH+](C4CCCCC4)CC3)c12 ZINC000003098847 570328356 /nfs/dbraw/zinc/32/83/56/570328356.db2.gz RDHIJLAGDVKPKD-UHFFFAOYSA-N 1 0 376.508 3.329 50 0 GGAARO CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000022853617 570331194 /nfs/dbraw/zinc/33/11/94/570331194.db2.gz ZYHMZRURIGFGQE-JOCHJYFZSA-N 1 0 398.547 3.471 50 0 GGAARO OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1CC1CCCCC1 ZINC000022852917 570331573 /nfs/dbraw/zinc/33/15/73/570331573.db2.gz XZGVDNCBTMOLRY-HSZRJFAPSA-N 1 0 382.552 3.321 50 0 GGAARO COC1CC[NH+](C2CN(C(=O)NC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000575610707 570333896 /nfs/dbraw/zinc/33/38/96/570333896.db2.gz NNSFOVJCKSFZTN-UHFFFAOYSA-N 1 0 379.504 3.281 50 0 GGAARO Cc1cccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)n1 ZINC000022914392 570334459 /nfs/dbraw/zinc/33/44/59/570334459.db2.gz GEXFACXXPSKOFZ-QFIPXVFZSA-N 1 0 376.504 3.007 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1Cc1ccccc1 ZINC000022932673 570337575 /nfs/dbraw/zinc/33/75/75/570337575.db2.gz HOSFHJNTRIXBED-LJQANCHMSA-N 1 0 382.533 3.003 50 0 GGAARO CCOC(=O)c1c2c(sc1NC(=O)c1ccnn1C)C(C)(C)[NH2+]C(C)(C)C2 ZINC000011695037 570343398 /nfs/dbraw/zinc/34/33/98/570343398.db2.gz OHBJPTOYPNMBFS-UHFFFAOYSA-N 1 0 390.509 3.070 50 0 GGAARO CC(=O)c1ccc(NC(=O)CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023095816 570343791 /nfs/dbraw/zinc/34/37/91/570343791.db2.gz MIZWGIHJGCMLCT-UHFFFAOYSA-N 1 0 395.547 3.414 50 0 GGAARO COc1ccc(NC(=O)CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000023095815 570343807 /nfs/dbraw/zinc/34/38/07/570343807.db2.gz CAIULSQBZUYIQW-UHFFFAOYSA-N 1 0 383.536 3.220 50 0 GGAARO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000023116769 570344471 /nfs/dbraw/zinc/34/44/71/570344471.db2.gz KKQWOVHLTBOBKH-FPOVZHCZSA-N 1 0 383.879 3.011 50 0 GGAARO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000023116772 570344503 /nfs/dbraw/zinc/34/45/03/570344503.db2.gz KKQWOVHLTBOBKH-CTNGQTDRSA-N 1 0 383.879 3.011 50 0 GGAARO CCc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035373534 570346117 /nfs/dbraw/zinc/34/61/17/570346117.db2.gz CDRPPIDMSYXPCL-QFIPXVFZSA-N 1 0 391.515 3.141 50 0 GGAARO COc1cc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc(OC)c1O ZINC000023171100 570347697 /nfs/dbraw/zinc/34/76/97/570347697.db2.gz GTYCDTKDYCTHPC-MRXNPFEDSA-N 1 0 398.503 3.499 50 0 GGAARO CCCc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCC(Cn4cccn4)CC3)c2)n1 ZINC000023215160 570350521 /nfs/dbraw/zinc/35/05/21/570350521.db2.gz FMCLMTNVHTWQQU-UHFFFAOYSA-N 1 0 391.519 3.498 50 0 GGAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCCc1csc(-c2cccnc2)n1 ZINC000219285812 570351225 /nfs/dbraw/zinc/35/12/25/570351225.db2.gz HYXZSJVGJIUPAM-IBGZPJMESA-N 1 0 392.528 3.353 50 0 GGAARO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000023232443 570351627 /nfs/dbraw/zinc/35/16/27/570351627.db2.gz GJVPKEIRIJUIAJ-UHFFFAOYSA-N 1 0 387.915 3.070 50 0 GGAARO CCN(C)C(=O)c1cc(-c2cnn(C3CC[NH+](C)CC3)c2)nc2ccccc21 ZINC000023311300 570354650 /nfs/dbraw/zinc/35/46/50/570354650.db2.gz OVKPVDGGENVHGE-UHFFFAOYSA-N 1 0 377.492 3.457 50 0 GGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000023358897 570356424 /nfs/dbraw/zinc/35/64/24/570356424.db2.gz XSAIXFCWHQNAEP-DEOSSOPVSA-N 1 0 390.531 3.250 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(OC)cc2C)CN1Cc1ccccc1 ZINC000023358887 570356455 /nfs/dbraw/zinc/35/64/55/570356455.db2.gz UBOHUHFFELVRFK-VXKWHMMOSA-N 1 0 395.547 3.181 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO ZINC000023360943 570356712 /nfs/dbraw/zinc/35/67/12/570356712.db2.gz AVNOAEDUCJYRKJ-DEOSSOPVSA-N 1 0 390.531 3.250 50 0 GGAARO c1cnn(-c2cccc(N3CCC([NH2+]CCc4cn5ccccc5n4)CC3)c2)c1 ZINC000023367397 570357429 /nfs/dbraw/zinc/35/74/29/570357429.db2.gz VQDRPFWZENZEFL-UHFFFAOYSA-N 1 0 386.503 3.321 50 0 GGAARO Cc1cc(F)ccc1N1CCC([N@@H+]2CCC[C@H](N3CCC(CO)CC3)C2)CC1 ZINC000023375410 570358913 /nfs/dbraw/zinc/35/89/13/570358913.db2.gz PBDBPDGNMMPFFC-QFIPXVFZSA-N 1 0 389.559 3.272 50 0 GGAARO Cc1cc(F)ccc1N1CCC([N@@H+]2CCC[C@@H](N3CCC(CO)CC3)C2)CC1 ZINC000023375408 570359053 /nfs/dbraw/zinc/35/90/53/570359053.db2.gz PBDBPDGNMMPFFC-JOCHJYFZSA-N 1 0 389.559 3.272 50 0 GGAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000023431250 570362434 /nfs/dbraw/zinc/36/24/34/570362434.db2.gz CTKKPVRLADYVCW-HSZRJFAPSA-N 1 0 382.504 3.471 50 0 GGAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000023431246 570362464 /nfs/dbraw/zinc/36/24/64/570362464.db2.gz CTKKPVRLADYVCW-QHCPKHFHSA-N 1 0 382.504 3.471 50 0 GGAARO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3c4c(cccc24)CCC3)s1 ZINC000023478726 570363096 /nfs/dbraw/zinc/36/30/96/570363096.db2.gz RLQHYNRVTAPARN-KRWDZBQOSA-N 1 0 393.512 3.445 50 0 GGAARO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(c3ncnc4sccc43)CC2)[C@H]1O ZINC000023542209 570364725 /nfs/dbraw/zinc/36/47/25/570364725.db2.gz OMNQVLZCXRFMEK-MSOLQXFVSA-N 1 0 380.517 3.207 50 0 GGAARO O=C(c1ccc([C@H]2CCC[N@@H+]2CC2CCOCC2)s1)N1CCC(CO)CC1 ZINC000023541030 570364912 /nfs/dbraw/zinc/36/49/12/570364912.db2.gz GIYJAEIACMXDDI-GOSISDBHSA-N 1 0 392.565 3.156 50 0 GGAARO c1[nH]c2ccccc2c1C[NH+]1CCC(n2cc(CN3CCSCC3)nn2)CC1 ZINC000023543292 570365263 /nfs/dbraw/zinc/36/52/63/570365263.db2.gz LOJIEDLCGHPIRC-UHFFFAOYSA-N 1 0 396.564 3.145 50 0 GGAARO O=c1[nH]c(-c2cccc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)c2)nc2c1CCCC2 ZINC000023580597 570365830 /nfs/dbraw/zinc/36/58/30/570365830.db2.gz RGOZMVJFMDRCSK-LJQANCHMSA-N 1 0 389.503 3.177 50 0 GGAARO O=c1[nH]c(-c2cccc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)c2)nc2c1CCCC2 ZINC000023580599 570365845 /nfs/dbraw/zinc/36/58/45/570365845.db2.gz RGOZMVJFMDRCSK-IBGZPJMESA-N 1 0 389.503 3.177 50 0 GGAARO C[N@H+](CCN1CCOCC1)C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000023580972 570365887 /nfs/dbraw/zinc/36/58/87/570365887.db2.gz YAHUOWBMYGJQAL-UHFFFAOYSA-N 1 0 386.565 3.043 50 0 GGAARO CCC([NH3+])(CC)c1cn(C2CCN(C(=O)N[C@@H](C)c3ccccc3)CC2)nn1 ZINC000023581451 570366004 /nfs/dbraw/zinc/36/60/04/570366004.db2.gz ICTALLYIBZQCDJ-INIZCTEOSA-N 1 0 384.528 3.360 50 0 GGAARO C[N@H+](CCOc1ccccc1)C1CCN(c2cccc(N3CCNC3=O)c2)CC1 ZINC000023582154 570366503 /nfs/dbraw/zinc/36/65/03/570366503.db2.gz SSEMQJZGEMSFEV-UHFFFAOYSA-N 1 0 394.519 3.196 50 0 GGAARO C[C@H](C1CCN(C(=O)CN2CC3(CC2=O)CCCCCC3)CC1)[NH+]1CCCC1 ZINC000023619078 570366794 /nfs/dbraw/zinc/36/67/94/570366794.db2.gz SAFWEGHSHYMYQP-LJQANCHMSA-N 1 0 389.584 3.282 50 0 GGAARO CCCc1cc(=O)n(CC(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cn1 ZINC000575619969 570368657 /nfs/dbraw/zinc/36/86/57/570368657.db2.gz NQTBZFUPWNXGBA-UHFFFAOYSA-N 1 0 391.475 3.034 50 0 GGAARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2cc3ccccc3o2)[NH+](C)C)c1 ZINC000575621682 570370512 /nfs/dbraw/zinc/37/05/12/570370512.db2.gz QWRQSJWNFJOPSP-SFHVURJKSA-N 1 0 379.460 3.407 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1cc2ccccc2o1 ZINC000575621753 570370595 /nfs/dbraw/zinc/37/05/95/570370595.db2.gz STGLVKWJQNQGSL-MRXNPFEDSA-N 1 0 387.386 3.069 50 0 GGAARO Cc1cc(CN2CCn3nc(CO)cc3C2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000219739031 570374621 /nfs/dbraw/zinc/37/46/21/570374621.db2.gz DMDJIRATCUABOA-UHFFFAOYSA-N 1 0 382.552 3.240 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)NCc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022766979 570376510 /nfs/dbraw/zinc/37/65/10/570376510.db2.gz VUJFXZOMRDNXNO-SFHVURJKSA-N 1 0 392.956 3.189 50 0 GGAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 ZINC000012447328 570378826 /nfs/dbraw/zinc/37/88/26/570378826.db2.gz ADEJPYHQKCCSNE-UHFFFAOYSA-N 1 0 398.526 3.454 50 0 GGAARO CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC000090607283 570383482 /nfs/dbraw/zinc/38/34/82/570383482.db2.gz UDUSCUPGUHPGBP-HXUWFJFHSA-N 1 0 395.503 3.103 50 0 GGAARO Cc1c2cc(C)ccc2oc1CN1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000221208172 570391941 /nfs/dbraw/zinc/39/19/41/570391941.db2.gz IDXVAPQRGRGGQK-HXUWFJFHSA-N 1 0 382.508 3.247 50 0 GGAARO COCCn1nnnc1[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CC=CCC1 ZINC000033730486 570408376 /nfs/dbraw/zinc/40/83/76/570408376.db2.gz UWLLNCQHVLXHCQ-JXFKEZNVSA-N 1 0 380.496 3.031 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO ZINC000036385771 570422527 /nfs/dbraw/zinc/42/25/27/570422527.db2.gz YEWYXNYYIGZOPK-HXUWFJFHSA-N 1 0 382.508 3.104 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)cc1OC ZINC000036385735 570422550 /nfs/dbraw/zinc/42/25/50/570422550.db2.gz DOYUVUFQTQNDSR-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO ZINC000036385643 570422574 /nfs/dbraw/zinc/42/25/74/570422574.db2.gz BANDXHFOURWUCY-HXUWFJFHSA-N 1 0 384.524 3.184 50 0 GGAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+](CCO)CCO ZINC000240228147 570430700 /nfs/dbraw/zinc/43/07/00/570430700.db2.gz KGRGAVSLNLMKNR-UZHZJEOPSA-N 1 0 393.612 3.437 50 0 GGAARO CN1CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000244678616 570433082 /nfs/dbraw/zinc/43/30/82/570433082.db2.gz IGVBLHMELZSXOZ-IBGZPJMESA-N 1 0 376.460 3.294 50 0 GGAARO COc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662215 570438382 /nfs/dbraw/zinc/43/83/82/570438382.db2.gz VMICVANSFIPHAF-FQEVSTJZSA-N 1 0 387.911 3.067 50 0 biogenic GGAARO Cc1ccc(O[C@@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1C ZINC000027741783 570441218 /nfs/dbraw/zinc/44/12/18/570441218.db2.gz NXIOWHCSXDXHDQ-FQEVSTJZSA-N 1 0 387.568 3.137 50 0 GGAARO COc1ccc(C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1Cl ZINC000027741593 570441329 /nfs/dbraw/zinc/44/13/29/570441329.db2.gz BWMOHNCQDSAYRW-UHFFFAOYSA-N 1 0 379.932 3.029 50 0 GGAARO COc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793304 570442667 /nfs/dbraw/zinc/44/26/67/570442667.db2.gz QMBQUXZQKMTGHX-LJQANCHMSA-N 1 0 387.911 3.067 50 0 GGAARO O=C(c1n[nH]c2c1CCCC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198551 570447203 /nfs/dbraw/zinc/44/72/03/570447203.db2.gz CGANOTBXBPNKDF-AXRVMRSRSA-N 1 0 380.536 3.324 50 0 GGAARO CCOC(=O)c1sc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1C ZINC000054219702 570456044 /nfs/dbraw/zinc/45/60/44/570456044.db2.gz UWQMKBZIVCHQLH-UHFFFAOYSA-N 1 0 396.516 3.499 50 0 GGAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000584885188 570471395 /nfs/dbraw/zinc/47/13/95/570471395.db2.gz JQJLMPKSHZLNMI-QGZVFWFLSA-N 1 0 375.542 3.184 50 0 GGAARO CN(c1ccc(NC(=O)Cc2[nH]nc3ccccc32)cc1)C1CC[NH+](C)CC1 ZINC000065111313 570476554 /nfs/dbraw/zinc/47/65/54/570476554.db2.gz NVZDAJWJKOOLGX-UHFFFAOYSA-N 1 0 377.492 3.275 50 0 GGAARO Cn1c(-c2nc3cc(C(=O)N4CCC[C@@H]([NH3+])C4)ccc3n2C)cc2ccccc21 ZINC000221533332 570485927 /nfs/dbraw/zinc/48/59/27/570485927.db2.gz SODALQVEMGOSEC-QGZVFWFLSA-N 1 0 387.487 3.295 50 0 in-vitro GGAARO CCOC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000380913452 570491397 /nfs/dbraw/zinc/49/13/97/570491397.db2.gz ORNJAGQPVINUCJ-AVRDEDQJSA-N 1 0 388.508 3.451 50 0 GGAARO CCOC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000380913461 570491435 /nfs/dbraw/zinc/49/14/35/570491435.db2.gz ORNJAGQPVINUCJ-GCJKJVERSA-N 1 0 388.508 3.451 50 0 GGAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C1CCCCC1)C(=O)CCC2 ZINC000003077620 570502361 /nfs/dbraw/zinc/50/23/61/570502361.db2.gz JUUGGQMYCABMBT-UHFFFAOYSA-N 1 0 378.494 3.305 50 0 GGAARO Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CC[N@H+](Cc1ccccc1)C2 ZINC000031771664 570506394 /nfs/dbraw/zinc/50/63/94/570506394.db2.gz RSAQARAFWMUYLL-UHFFFAOYSA-N 1 0 386.499 3.169 50 0 in-vitro GGAARO CCc1[nH]nc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1C ZINC000032565398 570511132 /nfs/dbraw/zinc/51/11/32/570511132.db2.gz DSUUIOOALMSYTH-IBGZPJMESA-N 1 0 395.551 3.016 50 0 GGAARO COc1cccc2c1ncn(C[C@H]1CCC[N@H+](CCc3ccccc3)C1)c2=O ZINC000032523725 570511415 /nfs/dbraw/zinc/51/14/15/570511415.db2.gz WBEVZHPAYZPJRB-IBGZPJMESA-N 1 0 377.488 3.360 50 0 GGAARO COc1ccc(OC)c([N+]2=C3CCCCCN3[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000002974531 570524497 /nfs/dbraw/zinc/52/44/97/570524497.db2.gz QXZLMKYZXHPHCJ-JOCHJYFZSA-N 1 0 385.459 3.493 50 0 GGAARO Cc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000033318275 570524637 /nfs/dbraw/zinc/52/46/37/570524637.db2.gz BGKZVAFNZPVFLW-UHFFFAOYSA-N 1 0 379.508 3.046 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c(Cl)c1 ZINC000033326761 570525009 /nfs/dbraw/zinc/52/50/09/570525009.db2.gz ODLUBPYATKHAOS-UHFFFAOYSA-N 1 0 388.903 3.167 50 0 GGAARO CCc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000033326786 570525065 /nfs/dbraw/zinc/52/50/65/570525065.db2.gz ZDWNAPNSPPNRIK-UHFFFAOYSA-N 1 0 394.523 3.302 50 0 GGAARO COC(=O)[C@@H]1N(C(=O)C[NH2+]Cc2ccccc2)[C@H](c2ccccc2)SC1(C)C ZINC000033894842 570529761 /nfs/dbraw/zinc/52/97/61/570529761.db2.gz RONZPIVXPXDNLA-PMACEKPBSA-N 1 0 398.528 3.371 50 0 GGAARO Cc1cc(O)c([C@@H](c2cccnc2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000022698305 570533291 /nfs/dbraw/zinc/53/32/91/570533291.db2.gz DPEHPMRBNMOPPI-OAQYLSRUSA-N 1 0 379.460 3.474 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008591136 570535457 /nfs/dbraw/zinc/53/54/57/570535457.db2.gz GQVHDBWNCLOLGF-UHFFFAOYSA-N 1 0 389.912 3.324 50 0 GGAARO O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015856064 570536142 /nfs/dbraw/zinc/53/61/42/570536142.db2.gz BCODXABMZKKHEF-OAQYLSRUSA-N 1 0 381.564 3.399 50 0 GGAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000022229259 570538300 /nfs/dbraw/zinc/53/83/00/570538300.db2.gz OUGYPTCSUCMTAD-HXUWFJFHSA-N 1 0 377.444 3.031 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 ZINC000022765481 570543211 /nfs/dbraw/zinc/54/32/11/570543211.db2.gz HIXDXDJFXNVKGC-KRWDZBQOSA-N 1 0 397.466 3.485 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)NCc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022766983 570544078 /nfs/dbraw/zinc/54/40/78/570544078.db2.gz VUJFXZOMRDNXNO-GOSISDBHSA-N 1 0 392.956 3.189 50 0 GGAARO COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000022794263 570547796 /nfs/dbraw/zinc/54/77/96/570547796.db2.gz UGATZXNOUPRSME-HXUWFJFHSA-N 1 0 387.911 3.067 50 0 GGAARO COc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022794061 570548138 /nfs/dbraw/zinc/54/81/38/570548138.db2.gz AWLHHAIYYATXRN-OAQYLSRUSA-N 1 0 382.508 3.114 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccc(F)cc2)CC1 ZINC000022794773 570548316 /nfs/dbraw/zinc/54/83/16/570548316.db2.gz WSFZBWQYBKCZKG-SFHVURJKSA-N 1 0 393.865 3.337 50 0 GGAARO Cc1cccc(-c2ncc(CN3CC[N@@H+](CCC(C)C)[C@H](CCO)C3)cn2)c1 ZINC000036385838 570564923 /nfs/dbraw/zinc/56/49/23/570564923.db2.gz NOQKYEXBKXATCH-JOCHJYFZSA-N 1 0 382.552 3.367 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000011936453 570594009 /nfs/dbraw/zinc/59/40/09/570594009.db2.gz UCXBEGJWGFDOKY-NRFANRHFSA-N 1 0 376.504 3.390 50 0 GGAARO C[NH+](C)CCNc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CCCC3 ZINC000012388986 570631362 /nfs/dbraw/zinc/63/13/62/570631362.db2.gz ILZNLRQBFPYHEO-UHFFFAOYSA-N 1 0 382.493 3.451 50 0 GGAARO CC[NH+](CC)Cc1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)c(=O)[nH]1 ZINC000012281431 570632527 /nfs/dbraw/zinc/63/25/27/570632527.db2.gz BUCFSBJIKSLKQY-UHFFFAOYSA-N 1 0 396.516 3.270 50 0 GGAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)n2)cc1 ZINC000012385849 570650782 /nfs/dbraw/zinc/65/07/82/570650782.db2.gz UUOXBXBCNQFVLT-SFHVURJKSA-N 1 0 395.463 3.165 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)COc3ccc(C(C)=O)cc3)C2)c1 ZINC000012386843 570651353 /nfs/dbraw/zinc/65/13/53/570651353.db2.gz PLPXXWZLIKIRTN-HXUWFJFHSA-N 1 0 396.487 3.057 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ocnc1C ZINC000012386545 570651366 /nfs/dbraw/zinc/65/13/66/570651366.db2.gz KHJVPECBSBJGFB-IBGZPJMESA-N 1 0 385.508 3.408 50 0 GGAARO Cc1sc2ncnc(N3CCC(Cn4cc(C(C)(C)[NH3+])nn4)CC3)c2c1C ZINC000048063550 570654877 /nfs/dbraw/zinc/65/48/77/570654877.db2.gz UVORQGMEYVOMMR-UHFFFAOYSA-N 1 0 385.541 3.010 50 0 GGAARO COCCN1CC[NH+](C2CCN(c3ccc(-c4cscn4)cc3)CC2)CC1 ZINC000048175451 570655810 /nfs/dbraw/zinc/65/58/10/570655810.db2.gz DRAPVNCTNKKWIJ-UHFFFAOYSA-N 1 0 386.565 3.043 50 0 GGAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)c1 ZINC000012429937 570658506 /nfs/dbraw/zinc/65/85/06/570658506.db2.gz YDABJGLOBDRACE-QHCPKHFHSA-N 1 0 383.488 3.284 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3nsnc3c2)CC1)C1CC1 ZINC000012431198 570659725 /nfs/dbraw/zinc/65/97/25/570659725.db2.gz HWWWEHIFGOYDHN-UHFFFAOYSA-N 1 0 382.493 3.073 50 0 GGAARO Cc1cccc(C[NH2+]Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1 ZINC000012433421 570660854 /nfs/dbraw/zinc/66/08/54/570660854.db2.gz SJMDKOYLOZONCI-IYBDPMFKSA-N 1 0 398.532 3.243 50 0 GGAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000012433671 570661219 /nfs/dbraw/zinc/66/12/19/570661219.db2.gz NKNWHBPMRIREAQ-INIZCTEOSA-N 1 0 379.416 3.125 50 0 GGAARO COc1ccccc1-c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)[nH]n1 ZINC000012434206 570661659 /nfs/dbraw/zinc/66/16/59/570661659.db2.gz JFAPFBGBSXDLMI-QHCPKHFHSA-N 1 0 394.519 3.423 50 0 GGAARO CN(C(=O)c1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012444803 570665406 /nfs/dbraw/zinc/66/54/06/570665406.db2.gz CFJRMSKIGYGPNO-HNNXBMFYSA-N 1 0 392.425 3.132 50 0 GGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000012446873 570666843 /nfs/dbraw/zinc/66/68/43/570666843.db2.gz FCHOPHDQSROZBX-JOCHJYFZSA-N 1 0 390.531 3.432 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012455815 570669164 /nfs/dbraw/zinc/66/91/64/570669164.db2.gz WRIHNKVXRDFWPA-JOCHJYFZSA-N 1 0 399.491 3.451 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012455818 570669214 /nfs/dbraw/zinc/66/92/14/570669214.db2.gz WRIHNKVXRDFWPA-QFIPXVFZSA-N 1 0 399.491 3.451 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000012459050 570670107 /nfs/dbraw/zinc/67/01/07/570670107.db2.gz CHDNHNXQEOJDOD-OAQYLSRUSA-N 1 0 399.535 3.148 50 0 GGAARO CCOC(=O)N1CCC([NH+]2CCC(CO)(CCOc3ccccc3)CC2)CC1 ZINC000012471346 570672887 /nfs/dbraw/zinc/67/28/87/570672887.db2.gz PBVYQCLUZUANLZ-UHFFFAOYSA-N 1 0 390.524 3.151 50 0 GGAARO COc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OC ZINC000012571058 570680758 /nfs/dbraw/zinc/68/07/58/570680758.db2.gz VYKSMKPWLBJDEP-OAQYLSRUSA-N 1 0 396.531 3.460 50 0 GGAARO COc1ccc(CC(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OC ZINC000012571061 570680916 /nfs/dbraw/zinc/68/09/16/570680916.db2.gz VYKSMKPWLBJDEP-NRFANRHFSA-N 1 0 396.531 3.460 50 0 GGAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cnc(CN2CCCC2)s1 ZINC000012570612 570681088 /nfs/dbraw/zinc/68/10/88/570681088.db2.gz LLQARNXIKDNWRV-LJQANCHMSA-N 1 0 398.576 3.176 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)Cn2cncn2)c1 ZINC000012575140 570682392 /nfs/dbraw/zinc/68/23/92/570682392.db2.gz KUPCPVUFVADQLU-QGZVFWFLSA-N 1 0 388.475 3.318 50 0 GGAARO COC[C@@H](C)NC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012574976 570682513 /nfs/dbraw/zinc/68/25/13/570682513.db2.gz SKAVZSXPKGTSHH-MRXNPFEDSA-N 1 0 390.524 3.246 50 0 GGAARO COc1cc(C(=O)N2CCc3sccc3C2)ccc1OC1CC[NH+](C)CC1 ZINC000012579956 570683416 /nfs/dbraw/zinc/68/34/16/570683416.db2.gz PPRKTQVVUAQROD-UHFFFAOYSA-N 1 0 386.517 3.428 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cnn(C(C)C)c3)C2)cc1 ZINC000012585642 570685100 /nfs/dbraw/zinc/68/51/00/570685100.db2.gz GCXCGQOUPKQUIM-FQEVSTJZSA-N 1 0 398.551 3.499 50 0 GGAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(C)n1 ZINC000012588547 570686124 /nfs/dbraw/zinc/68/61/24/570686124.db2.gz VPBQTYHRMCGGFQ-UHFFFAOYSA-N 1 0 384.528 3.374 50 0 GGAARO CC(C)C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055228391 570688359 /nfs/dbraw/zinc/68/83/59/570688359.db2.gz WZHYUNOZEVULAD-GOSISDBHSA-N 1 0 383.458 3.474 50 0 GGAARO CC(=O)N1CCC([N@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)CC1 ZINC000012594569 570688843 /nfs/dbraw/zinc/68/88/43/570688843.db2.gz XWIPAHUYDXIGHS-LJQANCHMSA-N 1 0 375.532 3.023 50 0 GGAARO O=C(NCc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055254137 570689375 /nfs/dbraw/zinc/68/93/75/570689375.db2.gz PGCVBQZUTZKWQF-JOCHJYFZSA-N 1 0 378.520 3.183 50 0 GGAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2cc(C)ccc2-n2cccn2)CC1 ZINC000012612198 570690704 /nfs/dbraw/zinc/69/07/04/570690704.db2.gz WFBATYZWWDATPP-UHFFFAOYSA-N 1 0 385.508 3.363 50 0 GGAARO CC(C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012710213 570702006 /nfs/dbraw/zinc/70/20/06/570702006.db2.gz ACZWFTBTACYTTE-FQEVSTJZSA-N 1 0 385.552 3.052 50 0 GGAARO CCOc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000012713603 570703417 /nfs/dbraw/zinc/70/34/17/570703417.db2.gz MDRPNYUAZOXWIS-IBGZPJMESA-N 1 0 385.552 3.040 50 0 GGAARO CCn1cc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012714321 570703688 /nfs/dbraw/zinc/70/36/88/570703688.db2.gz VQTQYJIMERZKQU-RRPUWOKSSA-N 1 0 378.520 3.192 50 0 GGAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012717754 570704770 /nfs/dbraw/zinc/70/47/70/570704770.db2.gz NRGNVTFKZGQOGE-KRWDZBQOSA-N 1 0 377.504 3.433 50 0 GGAARO OC1CCN([C@@H]2CC[N@H+](Cc3cccc4c5ccccc5sc43)C[C@H]2O)CC1 ZINC000012750919 570709002 /nfs/dbraw/zinc/70/90/02/570709002.db2.gz QGZWQTUKNHUCLL-NHCUHLMSSA-N 1 0 396.556 3.446 50 0 GGAARO COc1ccc(F)c(-c2nc(C[N@H+](C[C@@H]3CCC(=O)N3)C(C)C)c(C)o2)c1 ZINC000012757002 570710135 /nfs/dbraw/zinc/71/01/35/570710135.db2.gz NYOFYCOCZQCAIF-AWEZNQCLSA-N 1 0 375.444 3.287 50 0 GGAARO O=C(C1CC[NH+](C2CCN(Cc3c[nH]c4ccccc34)CC2)CC1)N1CCCC1 ZINC000012759459 570710751 /nfs/dbraw/zinc/71/07/51/570710751.db2.gz NHKOEZMOPHZQFZ-UHFFFAOYSA-N 1 0 394.563 3.467 50 0 GGAARO OCC1CCN(c2ncc3c(n2)CCC[C@@H]3[NH2+]C/C=C/c2ccccc2)CC1 ZINC000015064637 570723389 /nfs/dbraw/zinc/72/33/89/570723389.db2.gz NJVXADFBNDUZCC-FERLCFGISA-N 1 0 378.520 3.366 50 0 GGAARO CCCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012835491 570723431 /nfs/dbraw/zinc/72/34/31/570723431.db2.gz XSPFTUVVMNEGJL-QGZVFWFLSA-N 1 0 384.524 3.425 50 0 GGAARO COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000252497616 570728862 /nfs/dbraw/zinc/72/88/62/570728862.db2.gz QKURGTLPSVYOPN-LJQANCHMSA-N 1 0 380.448 3.031 50 0 GGAARO Cc1ccc(-c2c[n+](CCCN3C(=O)c4ccccc4C3=O)c3n2CCC3)cc1 ZINC000013483195 570756199 /nfs/dbraw/zinc/75/61/99/570756199.db2.gz NJEXETIXZPXQDL-UHFFFAOYSA-N 1 0 386.475 3.384 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1OC ZINC000013594520 570761544 /nfs/dbraw/zinc/76/15/44/570761544.db2.gz ZHZTVLFLFPJEME-INIZCTEOSA-N 1 0 386.467 3.485 50 0 GGAARO COc1cc(-c2ccc3ncnc(N4CC[NH+](C)CC4)c3c2)cc(OC)c1OC ZINC000065393699 570764726 /nfs/dbraw/zinc/76/47/26/570764726.db2.gz OAURHJCUDWGBRE-UHFFFAOYSA-N 1 0 394.475 3.074 50 0 GGAARO O=C(CC1(n2cccc2)CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000524733663 570772905 /nfs/dbraw/zinc/77/29/05/570772905.db2.gz BWSZMSWKTOQGMM-UHFFFAOYSA-N 1 0 381.520 3.165 50 0 GGAARO Cc1cc(C)c(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)c(C)c1 ZINC000023000316 570777900 /nfs/dbraw/zinc/77/79/00/570777900.db2.gz GTVLAKROUXISCO-UHFFFAOYSA-N 1 0 376.522 3.395 50 0 GGAARO COc1ccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022031433 570778195 /nfs/dbraw/zinc/77/81/95/570778195.db2.gz VWIWSZAQESTXKI-DYESRHJHSA-N 1 0 398.576 3.359 50 0 GGAARO CC[NH+](CC)CCNC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000013719073 570779693 /nfs/dbraw/zinc/77/96/93/570779693.db2.gz CXNLONOVUCVHMN-UHFFFAOYSA-N 1 0 388.508 3.192 50 0 GGAARO COc1ccccc1C[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000013720492 570779839 /nfs/dbraw/zinc/77/98/39/570779839.db2.gz HKKSBKIGLQIYKM-UHFFFAOYSA-N 1 0 386.492 3.287 50 0 GGAARO O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000011694009 570797767 /nfs/dbraw/zinc/79/77/67/570797767.db2.gz SOSMNSBWDQGZFZ-UHFFFAOYSA-N 1 0 383.879 3.427 50 0 GGAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000101413398 570822454 /nfs/dbraw/zinc/82/24/54/570822454.db2.gz FFEYSIPRSWWECA-VQIMIIECSA-N 1 0 382.508 3.039 50 0 GGAARO C[NH+](C)CCCNc1c(=O)c(=O)c1NCCC(c1ccccc1)c1ccccc1 ZINC000101675910 570828523 /nfs/dbraw/zinc/82/85/23/570828523.db2.gz YBPMOKLHPHEGJZ-UHFFFAOYSA-N 1 0 391.515 3.280 50 0 GGAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C1CCC1)CC2 ZINC000014530848 570847576 /nfs/dbraw/zinc/84/75/76/570847576.db2.gz RXALQQKTTIZGFR-UHFFFAOYSA-N 1 0 398.551 3.322 50 0 GGAARO C/C=C(\C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014535773 570848047 /nfs/dbraw/zinc/84/80/47/570848047.db2.gz ARIWNIKDNOGSGP-BLLMUTORSA-N 1 0 384.524 3.303 50 0 GGAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccco1)CC2 ZINC000014534956 570848179 /nfs/dbraw/zinc/84/81/79/570848179.db2.gz YPOQHSSHVKLNIC-UHFFFAOYSA-N 1 0 393.487 3.066 50 0 GGAARO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)N2CCCC2)C1 ZINC000014541647 570849020 /nfs/dbraw/zinc/84/90/20/570849020.db2.gz OIGUZVVDBKSOLD-RTWAWAEBSA-N 1 0 397.563 3.330 50 0 GGAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014540847 570849072 /nfs/dbraw/zinc/84/90/72/570849072.db2.gz JDOIJOADQAZPGM-UHFFFAOYSA-N 1 0 386.540 3.383 50 0 GGAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@@H](C)CSC)CC2)C1=O ZINC000014741284 570857832 /nfs/dbraw/zinc/85/78/32/570857832.db2.gz OMWUPRHZVMFKEW-KRWDZBQOSA-N 1 0 389.565 3.099 50 0 GGAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([N@H+](C)CCc1ccccc1)C2 ZINC000014744046 570858355 /nfs/dbraw/zinc/85/83/55/570858355.db2.gz DDMBFQHRFCVUHI-IBGZPJMESA-N 1 0 382.552 3.273 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014744489 570858415 /nfs/dbraw/zinc/85/84/15/570858415.db2.gz GYAHXBZNAQETPP-KRWDZBQOSA-N 1 0 384.499 3.315 50 0 GGAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@H](C)CSC)CC2)C1=O ZINC000014741285 570858463 /nfs/dbraw/zinc/85/84/63/570858463.db2.gz OMWUPRHZVMFKEW-QGZVFWFLSA-N 1 0 389.565 3.099 50 0 GGAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3cccc(C(C)=O)c3)CC2)CC1 ZINC000014959175 570866145 /nfs/dbraw/zinc/86/61/45/570866145.db2.gz OSNUQOJVRGXVLA-UHFFFAOYSA-N 1 0 385.552 3.046 50 0 GGAARO CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1C ZINC000014960010 570866662 /nfs/dbraw/zinc/86/66/62/570866662.db2.gz IXGNFLIAOPIOSH-IBGZPJMESA-N 1 0 397.519 3.245 50 0 GGAARO CCn1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)cn1 ZINC000014961660 570866760 /nfs/dbraw/zinc/86/67/60/570866760.db2.gz CRNAIPDSLTYKHL-QFIPXVFZSA-N 1 0 382.508 3.040 50 0 GGAARO CCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)cn1 ZINC000014963876 570866815 /nfs/dbraw/zinc/86/68/15/570866815.db2.gz UQWXRARFWXZHAZ-QHCPKHFHSA-N 1 0 394.519 3.062 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000014969423 570867212 /nfs/dbraw/zinc/86/72/12/570867212.db2.gz BMCLGPBMRHDXGD-KXDFARLMSA-N 1 0 386.511 3.094 50 0 GGAARO O=C(NC1CCC1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000014965096 570867275 /nfs/dbraw/zinc/86/72/75/570867275.db2.gz ZWZGTDMIIOLAKH-INIZCTEOSA-N 1 0 382.508 3.177 50 0 GGAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000014968222 570867448 /nfs/dbraw/zinc/86/74/48/570867448.db2.gz DRUUVFPEBXTOLJ-HXUWFJFHSA-N 1 0 383.540 3.122 50 0 GGAARO COc1ccc(-c2noc(C[N@H+](C)CCc3ccccc3)n2)c(OC)c1OC ZINC000014978762 570869245 /nfs/dbraw/zinc/86/92/45/570869245.db2.gz SPLCWKZZWPGKJC-UHFFFAOYSA-N 1 0 383.448 3.437 50 0 GGAARO CN(CC[NH+]1CCCCC1)C(=O)c1coc(COc2cccc(F)c2F)n1 ZINC000014979283 570869292 /nfs/dbraw/zinc/86/92/92/570869292.db2.gz ORPPGVAZHORNCH-UHFFFAOYSA-N 1 0 379.407 3.090 50 0 GGAARO CCC(=O)NC[C@H](C)Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000014994783 570870322 /nfs/dbraw/zinc/87/03/22/570870322.db2.gz OIDZISKXZZIIFY-IBGZPJMESA-N 1 0 381.520 3.302 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000170613929 570871378 /nfs/dbraw/zinc/87/13/78/570871378.db2.gz PPJSEGZYQGESOS-PXNSSMCTSA-N 1 0 380.492 3.006 50 0 GGAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000170613931 570871388 /nfs/dbraw/zinc/87/13/88/570871388.db2.gz PPJSEGZYQGESOS-XLIONFOSSA-N 1 0 380.492 3.006 50 0 GGAARO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000170613635 570871661 /nfs/dbraw/zinc/87/16/61/570871661.db2.gz MATIZKUBXGKERV-RXVVDRJESA-N 1 0 396.535 3.317 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccccn2)C1 ZINC000015066487 570876271 /nfs/dbraw/zinc/87/62/71/570876271.db2.gz OEYPIELGGNJCTN-FQEVSTJZSA-N 1 0 395.547 3.436 50 0 GGAARO O=C(NC1CC1)C1CC[NH+](C2CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000015073635 570877921 /nfs/dbraw/zinc/87/79/21/570877921.db2.gz OMWABKJHELMLCN-UHFFFAOYSA-N 1 0 380.536 3.123 50 0 GGAARO Cc1cccn2c(C[NH2+][C@H](C)Cc3cccnc3)c(C(=O)N3CCCCC3)nc12 ZINC000015072594 570877947 /nfs/dbraw/zinc/87/79/47/570877947.db2.gz QRXSSLYWWXUFSE-GOSISDBHSA-N 1 0 391.519 3.385 50 0 GGAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000015073144 570877988 /nfs/dbraw/zinc/87/79/88/570877988.db2.gz FCVHYCPYBBOBTN-LJQANCHMSA-N 1 0 398.576 3.136 50 0 GGAARO CCn1cc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074556 570878332 /nfs/dbraw/zinc/87/83/32/570878332.db2.gz BWTVJSRSLXVGIB-FQEVSTJZSA-N 1 0 396.579 3.231 50 0 GGAARO O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000015075424 570878547 /nfs/dbraw/zinc/87/85/47/570878547.db2.gz SYJKSDKYSNPOLC-OAQYLSRUSA-N 1 0 395.547 3.315 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CCCSC)C3)C2=O)c1 ZINC000012587197 570882289 /nfs/dbraw/zinc/88/22/89/570882289.db2.gz DSROLEYHKCMUMO-HXUWFJFHSA-N 1 0 380.529 3.402 50 0 GGAARO Cc1nccn1C[C@@H](C)[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072476882 570882368 /nfs/dbraw/zinc/88/23/68/570882368.db2.gz DSWUZADQTQMWMA-GOSISDBHSA-N 1 0 382.508 3.110 50 0 GGAARO Cc1c[nH]c(CN(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000534586385 570904742 /nfs/dbraw/zinc/90/47/42/570904742.db2.gz CDRCLXOSQVSFSH-KRWDZBQOSA-N 1 0 375.904 3.350 50 0 GGAARO C[NH+]1CCC(NC(=O)c2cccc(-c3cc4sc(N)nc4c(F)c3)c2)CC1 ZINC000534592201 570907007 /nfs/dbraw/zinc/90/70/07/570907007.db2.gz PJKTVSIURLYSGK-UHFFFAOYSA-N 1 0 384.480 3.339 50 0 GGAARO Cc1ccc([C@H](CNC(=O)N(C)Cc2cnn(C)c2)[NH+]2CCC(C)CC2)cc1 ZINC000534592682 570907010 /nfs/dbraw/zinc/90/70/10/570907010.db2.gz ILQVHAUFXGZKMQ-NRFANRHFSA-N 1 0 383.540 3.343 50 0 GGAARO Cc1ccc([C@@H](CNC(=O)N(C)Cc2cnn(C)c2)[NH+]2CCC(C)CC2)cc1 ZINC000534592683 570907063 /nfs/dbraw/zinc/90/70/63/570907063.db2.gz ILQVHAUFXGZKMQ-OAQYLSRUSA-N 1 0 383.540 3.343 50 0 GGAARO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000023115539 570908614 /nfs/dbraw/zinc/90/86/14/570908614.db2.gz GIPWGXKWWBAVSO-IVYDRHTBSA-N 1 0 382.504 3.290 50 0 GGAARO COc1ccc(CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C2CCCC2)c(OC)c1 ZINC000534646644 570909571 /nfs/dbraw/zinc/90/95/71/570909571.db2.gz JTIHVDLHAUCXCU-QGZVFWFLSA-N 1 0 375.513 3.252 50 0 GGAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000534636373 570911894 /nfs/dbraw/zinc/91/18/94/570911894.db2.gz SMKWKXCFDPJMOB-OAHLLOKOSA-N 1 0 375.492 3.150 50 0 GGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000023127389 570912417 /nfs/dbraw/zinc/91/24/17/570912417.db2.gz INZOUQPHNJOXQH-UHFFFAOYSA-N 1 0 381.879 3.188 50 0 GGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@H](C)c2cn3ccsc3n2)CC1 ZINC000534637821 570912403 /nfs/dbraw/zinc/91/24/03/570912403.db2.gz OCUNJNTVXUFHPN-OAHLLOKOSA-N 1 0 384.509 3.082 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1Cl ZINC000023127693 570913030 /nfs/dbraw/zinc/91/30/30/570913030.db2.gz CELPLWUEWMDQNS-UHFFFAOYSA-N 1 0 398.912 3.132 50 0 GGAARO O=S(=O)(Cc1ccccc1F)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127660 570913042 /nfs/dbraw/zinc/91/30/42/570913042.db2.gz UBVWVKYQOUFTOB-UHFFFAOYSA-N 1 0 376.497 3.157 50 0 GGAARO CC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2cnn(-c3ccccc3OC)c2)CC1 ZINC000534654450 570914970 /nfs/dbraw/zinc/91/49/70/570914970.db2.gz WDCFKDJMSDETRG-INIZCTEOSA-N 1 0 385.512 3.068 50 0 GGAARO CC(=O)c1sccc1-c1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000534654482 570915249 /nfs/dbraw/zinc/91/52/49/570915249.db2.gz GZWISLGBNMAVBG-GOSISDBHSA-N 1 0 386.517 3.194 50 0 GGAARO Cc1ccc([C@H](NC(=O)N2CCC(O)(C[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000534656072 570915477 /nfs/dbraw/zinc/91/54/77/570915477.db2.gz GHDIVAARTZKUQN-OAQYLSRUSA-N 1 0 381.520 3.183 50 0 GGAARO O=C(NC1(C[NH+]2CCCCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000534656701 570916052 /nfs/dbraw/zinc/91/60/52/570916052.db2.gz WTWSKEJNPWHOPS-JXMROGBWSA-N 1 0 382.552 3.046 50 0 GGAARO CN(Cc1ccccc1Cl)C(=O)NCC1([NH+]2CCN(C)CC2)CCCC1 ZINC000534671552 570920932 /nfs/dbraw/zinc/92/09/32/570920932.db2.gz GXGCYVLTFLADFV-UHFFFAOYSA-N 1 0 378.948 3.042 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012313 570937008 /nfs/dbraw/zinc/93/70/08/570937008.db2.gz ZQSNCNZMBVTNPH-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000017012459 570937039 /nfs/dbraw/zinc/93/70/39/570937039.db2.gz XFGCLVZSVSHEHA-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC)c(OC)c2)cc1 ZINC000017147094 570942355 /nfs/dbraw/zinc/94/23/55/570942355.db2.gz ZKJZSTCOHKJOLM-QHCPKHFHSA-N 1 0 397.495 3.363 50 0 GGAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000018093549 570950492 /nfs/dbraw/zinc/95/04/92/570950492.db2.gz WVWDOQZRBLPCLS-MRXNPFEDSA-N 1 0 394.349 3.016 50 0 GGAARO COc1cccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)c1 ZINC000018088277 570950602 /nfs/dbraw/zinc/95/06/02/570950602.db2.gz YNKNQSKOUVHNEO-IBGZPJMESA-N 1 0 397.862 3.294 50 0 GGAARO COc1ccc(CN2C(=O)C[C@H]([NH+]3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018220172 570951573 /nfs/dbraw/zinc/95/15/73/570951573.db2.gz WNGWRYDWLJBBCT-NRFANRHFSA-N 1 0 396.462 3.341 50 0 GGAARO COc1ccc(-c2cc3n(n2)[C@H]([NH2+]CCc2ccc(Cl)cc2)CNC3=O)cc1 ZINC000263619672 570955832 /nfs/dbraw/zinc/95/58/32/570955832.db2.gz ZYQPRXCDMYPCRC-FQEVSTJZSA-N 1 0 396.878 3.286 50 0 GGAARO Cc1noc2ncc(C(=O)Nc3ccc(N(C)C4CC[NH+](C)CC4)cc3)cc12 ZINC000194699004 570957714 /nfs/dbraw/zinc/95/77/14/570957714.db2.gz MOLXYOGDYIQMTB-UHFFFAOYSA-N 1 0 379.464 3.314 50 0 GGAARO CNc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)ccn1 ZINC000019219227 570962712 /nfs/dbraw/zinc/96/27/12/570962712.db2.gz FLWMXXAAMJZPRU-JOCHJYFZSA-N 1 0 382.483 3.391 50 0 GGAARO Nc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)ccn1 ZINC000019222231 570963311 /nfs/dbraw/zinc/96/33/11/570963311.db2.gz ANDFITFROQPOTC-NRFANRHFSA-N 1 0 386.446 3.070 50 0 GGAARO COc1cc(Cl)c(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1OC ZINC000019223124 570963321 /nfs/dbraw/zinc/96/33/21/570963321.db2.gz XSZSYJVYUICOBH-INIZCTEOSA-N 1 0 384.948 3.272 50 0 GGAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000019229173 570964458 /nfs/dbraw/zinc/96/44/58/570964458.db2.gz KFPARXQGJWEWNI-QGZVFWFLSA-N 1 0 393.491 3.037 50 0 GGAARO O=C1CN(C2CC[NH+](Cc3cccc(Cl)c3)CC2)C(=O)N1CC(F)(F)F ZINC000585148544 570982392 /nfs/dbraw/zinc/98/23/92/570982392.db2.gz YAKHVJDVYDGKQZ-UHFFFAOYSA-N 1 0 389.805 3.131 50 0 GGAARO CC[C@H](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2ccccc2C1=O ZINC000252585206 570996422 /nfs/dbraw/zinc/99/64/22/570996422.db2.gz HANDTSCJNTVQLR-GKJHBJHPSA-N 1 0 397.563 3.438 50 0 biogenic GGAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002198836 570996755 /nfs/dbraw/zinc/99/67/55/570996755.db2.gz YTHLYXPBUCXYRK-OKILXGFUSA-N 1 0 387.480 3.270 50 0 GGAARO CN1CC[C@@]2(CN(Cc3ccc(OC4CCCC4)cc3)CC[N@@H+]2C)CCC1=O ZINC000091269708 571001625 /nfs/dbraw/zinc/00/16/25/571001625.db2.gz DAHZUVOEPVQIIM-HSZRJFAPSA-N 1 0 385.552 3.137 50 0 GGAARO COCCN1C[C@]2(CCC[N@H+](Cc3cc4cc(C)ccc4n3C)C2)CCC1=O ZINC000091289379 571002359 /nfs/dbraw/zinc/00/23/59/571002359.db2.gz BWEUCGMZZRKBLI-HSZRJFAPSA-N 1 0 383.536 3.338 50 0 GGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc4cccc(F)c4n3)C2)CCC1=O ZINC000091305576 571002754 /nfs/dbraw/zinc/00/27/54/571002754.db2.gz KVFGUYFXBNDAPI-QFIPXVFZSA-N 1 0 385.483 3.225 50 0 GGAARO CCOc1ccc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1 ZINC000091321737 571003316 /nfs/dbraw/zinc/00/33/16/571003316.db2.gz NJAJJIORYFIFST-LEWJYISDSA-N 1 0 379.504 3.146 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)cc1C ZINC000091350953 571003985 /nfs/dbraw/zinc/00/39/85/571003985.db2.gz XREHNFUQCJOHCL-UHFFFAOYSA-N 1 0 396.535 3.174 50 0 GGAARO CCn1nc(C)c(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)c1C ZINC000091350536 571004096 /nfs/dbraw/zinc/00/40/96/571004096.db2.gz OQDCWDCKQXXFDR-UHFFFAOYSA-N 1 0 395.551 3.320 50 0 GGAARO CC1(C)C[C@@H](C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)CCO1 ZINC000091350623 571004115 /nfs/dbraw/zinc/00/41/15/571004115.db2.gz MYAOIGVHOQXFRJ-IBGZPJMESA-N 1 0 385.552 3.491 50 0 GGAARO C[C@@H](CN1CC(c2ccccc2)(c2ccccc2)CCC1=O)N1CC[NH+](C)CC1 ZINC000091350734 571004118 /nfs/dbraw/zinc/00/41/18/571004118.db2.gz ZHIDYYBIVKVKDH-NRFANRHFSA-N 1 0 391.559 3.231 50 0 GGAARO COc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccc(CO)cc3)C1)OCCCO2 ZINC000091390767 571005837 /nfs/dbraw/zinc/00/58/37/571005837.db2.gz RIOPXRQSNOMYCI-LJQANCHMSA-N 1 0 383.488 3.413 50 0 GGAARO O=C(Cc1cccc2ccccc21)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091391094 571006180 /nfs/dbraw/zinc/00/61/80/571006180.db2.gz VIDLWJZBMIEOTI-FGZHOGPDSA-N 1 0 380.532 3.325 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(N)nc3)CC2)C1 ZINC000091425872 571007157 /nfs/dbraw/zinc/00/71/57/571007157.db2.gz WGAPFOJLBHCLJY-FQEVSTJZSA-N 1 0 378.520 3.396 50 0 GGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000091424977 571007232 /nfs/dbraw/zinc/00/72/32/571007232.db2.gz KWICSKUAJLNKJK-KRWDZBQOSA-N 1 0 375.472 3.056 50 0 GGAARO CS[C@@H](C)CC[NH+]1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000091434441 571007528 /nfs/dbraw/zinc/00/75/28/571007528.db2.gz HBZVDCJVMLFOKR-SFHVURJKSA-N 1 0 375.582 3.470 50 0 GGAARO COc1ccnc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)c1 ZINC000091444584 571008787 /nfs/dbraw/zinc/00/87/87/571008787.db2.gz NJNFRESZPZQZEU-NRFANRHFSA-N 1 0 379.504 3.318 50 0 GGAARO O=C1CCC2(CC[NH+](C3CSCCSC3)CC2)CN1Cc1ccccn1 ZINC000091452349 571009406 /nfs/dbraw/zinc/00/94/06/571009406.db2.gz IMNXQCVSRRJXCW-UHFFFAOYSA-N 1 0 391.606 3.135 50 0 GGAARO CN1CC[N@H+](C)[C@H](CC(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1 ZINC000091460388 571009410 /nfs/dbraw/zinc/00/94/10/571009410.db2.gz WLWLVNPZVLSABE-HSZRJFAPSA-N 1 0 391.559 3.231 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3c(C)onc3-c3ccccc3)C[C@@H]2[NH3+])c1 ZINC000091468299 571009918 /nfs/dbraw/zinc/00/99/18/571009918.db2.gz SCBHTUAICVHFPQ-MOPGFXCFSA-N 1 0 377.444 3.226 50 0 GGAARO C[N@@H+]1CCN(Cc2cccc(Oc3ccccc3)c2)C[C@]12CCNC(=O)CC2 ZINC000091475595 571010401 /nfs/dbraw/zinc/01/04/01/571010401.db2.gz WTYQEAJHPWXOES-QHCPKHFHSA-N 1 0 379.504 3.265 50 0 GGAARO CCc1nn(C)c(Cl)c1CN1C[C@@H](c2ccc(OC)cc2)[C@H]([NH+](C)C)C1 ZINC000091474639 571010444 /nfs/dbraw/zinc/01/04/44/571010444.db2.gz XMWWTSHFINAEEU-QFBILLFUSA-N 1 0 376.932 3.174 50 0 GGAARO COCc1ncc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)cn1 ZINC000091493133 571010851 /nfs/dbraw/zinc/01/08/51/571010851.db2.gz JUHRDOIOIBKMLK-UHFFFAOYSA-N 1 0 394.519 3.028 50 0 GGAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)c(O)c1)CC2 ZINC000091487026 571010869 /nfs/dbraw/zinc/01/08/69/571010869.db2.gz BJOSPRYKBNLEFX-UHFFFAOYSA-N 1 0 382.508 3.213 50 0 GGAARO COc1ccc([C@@H]2CN(Cc3cnc(-c4ccco4)nc3)C[C@H]2[NH+](C)C)cc1 ZINC000091505523 571011338 /nfs/dbraw/zinc/01/13/38/571011338.db2.gz NNJOMJOVHCYXLO-VQTJNVASSA-N 1 0 378.476 3.275 50 0 GGAARO CC(C)Cc1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)[nH]n1 ZINC000091505612 571011360 /nfs/dbraw/zinc/01/13/60/571011360.db2.gz KVSCLQKVCUTGJK-UHFFFAOYSA-N 1 0 395.551 3.408 50 0 GGAARO Cc1[nH]c2c(c1CC(=O)N1CCC(O)(C[NH+]3CCCC3)CC1)c(C)ccc2C ZINC000091494142 571011471 /nfs/dbraw/zinc/01/14/71/571011471.db2.gz AIRLOKGCBOGMRH-UHFFFAOYSA-N 1 0 383.536 3.085 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CCc2cccc(F)c2)CC3)cn1 ZINC000091518652 571011948 /nfs/dbraw/zinc/01/19/48/571011948.db2.gz QBJRPVULTQHQMJ-UHFFFAOYSA-N 1 0 396.510 3.371 50 0 GGAARO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CC[C@@](O)(C3CCC3)[C@H](C)C2)no1 ZINC000091518716 571012310 /nfs/dbraw/zinc/01/23/10/571012310.db2.gz XKUJQGLVUUTKCU-BLVKFPJESA-N 1 0 378.904 3.410 50 0 GGAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)nc(C)n1 ZINC000091535429 571013053 /nfs/dbraw/zinc/01/30/53/571013053.db2.gz GAGZGPDZIUZYHK-LEWJYISDSA-N 1 0 378.520 3.263 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(F)cc(Cl)c1)CC2 ZINC000091536802 571013177 /nfs/dbraw/zinc/01/31/77/571013177.db2.gz AZKKNSYHKNCJEK-UHFFFAOYSA-N 1 0 376.863 3.212 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(OC)ccc1F)CC2 ZINC000091574125 571014853 /nfs/dbraw/zinc/01/48/53/571014853.db2.gz AWCKFASCMXAGBF-UHFFFAOYSA-N 1 0 378.488 3.075 50 0 GGAARO CCCCc1nc(Cl)c(CN2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)[nH]1 ZINC000091587526 571016009 /nfs/dbraw/zinc/01/60/09/571016009.db2.gz NKUHGHYUQDHOOF-UHFFFAOYSA-N 1 0 376.936 3.108 50 0 GGAARO CCN1CC[C@]2(CN(Cc3cccc(C(F)(F)F)c3)CC[N@@H+]2C)CCC1=O ZINC000091593850 571016732 /nfs/dbraw/zinc/01/67/32/571016732.db2.gz TXDHCYILTOJAGG-IBGZPJMESA-N 1 0 383.458 3.224 50 0 GGAARO Cc1nc2cc(OCc3nc(C(=O)NC[C@H](C)C[NH+](C)C)co3)ccc2s1 ZINC000091616990 571018483 /nfs/dbraw/zinc/01/84/83/571018483.db2.gz ANUNUALYUSDREQ-LBPRGKRZSA-N 1 0 388.493 3.099 50 0 GGAARO O=C(c1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091636273 571020343 /nfs/dbraw/zinc/02/03/43/571020343.db2.gz JYTMAEURJMGDSM-JTHBVZDNSA-N 1 0 378.516 3.348 50 0 GGAARO Cc1nc2cc(OCc3nc(C(=O)N(C)CCC[NH+](C)C)co3)ccc2s1 ZINC000091626393 571020360 /nfs/dbraw/zinc/02/03/60/571020360.db2.gz JPTKKJVNJVFYRO-UHFFFAOYSA-N 1 0 388.493 3.195 50 0 GGAARO COC(=O)c1sc2ncnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c2c1C ZINC000019620717 571021477 /nfs/dbraw/zinc/02/14/77/571021477.db2.gz LPBBZUXOOFNGQX-UHFFFAOYSA-N 1 0 397.504 3.282 50 0 GGAARO O=C1CCC2(CC[NH+](CCCOc3ccccc3)CC2)CN1C[C@@H]1CCCO1 ZINC000091644932 571022030 /nfs/dbraw/zinc/02/20/30/571022030.db2.gz BMFGKMIOWNXLMP-NRFANRHFSA-N 1 0 386.536 3.339 50 0 GGAARO O=C1CCC2(CC[NH+](C3Cc4ccccc4C3)CC2)CN1CCc1ccncc1 ZINC000091650403 571022503 /nfs/dbraw/zinc/02/25/03/571022503.db2.gz ZOAUPJLHXOJBFW-UHFFFAOYSA-N 1 0 389.543 3.496 50 0 GGAARO O=C(c1ccccc1)N1CCC([N@@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)CC1 ZINC000091664257 571024725 /nfs/dbraw/zinc/02/47/25/571024725.db2.gz NTVACUVPWZLXIM-FQEVSTJZSA-N 1 0 378.516 3.348 50 0 GGAARO COc1ccc(-c2nc(CN3CCC([NH+]4CCOCC4)CC3)c(C)o2)c(F)c1 ZINC000091664914 571024935 /nfs/dbraw/zinc/02/49/35/571024935.db2.gz IEFYRIDWPJXVLX-UHFFFAOYSA-N 1 0 389.471 3.094 50 0 GGAARO O=C1CCC2(CC[NH+](CCCc3cccnc3)CC2)CN1Cc1ccccn1 ZINC000091678205 571025371 /nfs/dbraw/zinc/02/53/71/571025371.db2.gz ZSBGGNSFDYNXSP-UHFFFAOYSA-N 1 0 378.520 3.314 50 0 GGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(-c3ccncc3)nc1)C2 ZINC000091736306 571028283 /nfs/dbraw/zinc/02/82/83/571028283.db2.gz CXVASDIBEGADJW-YLJYHZDGSA-N 1 0 377.492 3.041 50 0 GGAARO COc1cc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1OC ZINC000091770016 571030179 /nfs/dbraw/zinc/03/01/79/571030179.db2.gz FJDLPTYPISLIKE-OAQYLSRUSA-N 1 0 376.472 3.067 50 0 GGAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)nc1 ZINC000091794289 571031377 /nfs/dbraw/zinc/03/13/77/571031377.db2.gz RRUMSSUALHGUBT-UHFFFAOYSA-N 1 0 392.547 3.486 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3cc4c(cccc4Cl)n3C)C[C@@H]2[NH3+])c1 ZINC000091830938 571032644 /nfs/dbraw/zinc/03/26/44/571032644.db2.gz LRQWRHHMFQNRTH-AEFFLSMTSA-N 1 0 383.879 3.407 50 0 GGAARO Nc1ncccc1C[NH+]1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000091848675 571033068 /nfs/dbraw/zinc/03/30/68/571033068.db2.gz CRNJLOPCCHCIEC-UHFFFAOYSA-N 1 0 378.520 3.111 50 0 GGAARO CCOc1ccc(CN2C[C@@H](c3ccc(OC)cc3)[C@H]([NH+](C)C)C2)cc1CO ZINC000091848717 571033277 /nfs/dbraw/zinc/03/32/77/571033277.db2.gz CSJQBCXTXKOORM-FCHUYYIVSA-N 1 0 384.520 3.116 50 0 GGAARO CC[NH+](CC)Cc1cc(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(C)o1 ZINC000091849186 571033316 /nfs/dbraw/zinc/03/33/16/571033316.db2.gz UDEXSMOVPZDROH-SFHVURJKSA-N 1 0 389.540 3.437 50 0 GGAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccc2cc[nH]c2c1 ZINC000091876721 571034826 /nfs/dbraw/zinc/03/48/26/571034826.db2.gz LARHWIZEZYDBFY-UHFFFAOYSA-N 1 0 377.492 3.443 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cc2cccc(O)c2)C3)cc1 ZINC000091915195 571036175 /nfs/dbraw/zinc/03/61/75/571036175.db2.gz FKVVNKJDHGLMOI-VQTJNVASSA-N 1 0 380.488 3.066 50 0 GGAARO O=C1CCC2(CC[NH+](Cc3cccc(O)c3)CC2)CN1CCc1cccnc1 ZINC000091951707 571037420 /nfs/dbraw/zinc/03/74/20/571037420.db2.gz XPDORNVWXQTPCR-UHFFFAOYSA-N 1 0 379.504 3.235 50 0 GGAARO O=C1CCC2(CC[NH+](Cc3cccc(F)c3F)CC2)CN1CCc1c[nH]cn1 ZINC000091987430 571038888 /nfs/dbraw/zinc/03/88/88/571038888.db2.gz DFFVIFGZAMVSTQ-UHFFFAOYSA-N 1 0 388.462 3.135 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)Cc3c(C)[nH]c4c3cccc4F)C[C@@H]2[NH3+])c1 ZINC000091997557 571039849 /nfs/dbraw/zinc/03/98/49/571039849.db2.gz JBRGMNIKPLVIRS-QUCCMNQESA-N 1 0 381.451 3.120 50 0 GGAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)c1 ZINC000092001721 571040052 /nfs/dbraw/zinc/04/00/52/571040052.db2.gz FEHRRGMYDIETPH-QHCPKHFHSA-N 1 0 378.520 3.498 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccnc3C)CC2)C1 ZINC000092002218 571040196 /nfs/dbraw/zinc/04/01/96/571040196.db2.gz URSPNHOGJGIOPN-NRFANRHFSA-N 1 0 380.536 3.310 50 0 GGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000092002654 571040481 /nfs/dbraw/zinc/04/04/81/571040481.db2.gz SUFNJPZEADIKGT-UXHICEINSA-N 1 0 378.451 3.195 50 0 GGAARO O=c1cc(C[NH+]2CCC3(CC2)c2ccccc2C[C@@H]3O)[nH]c2c(F)cccc12 ZINC000092037835 571042162 /nfs/dbraw/zinc/04/21/62/571042162.db2.gz KNJQHVOYGAFIBX-NRFANRHFSA-N 1 0 378.447 3.118 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C(C)(C)NC(C)=O)CC2)C1 ZINC000092077469 571043909 /nfs/dbraw/zinc/04/39/09/571043909.db2.gz FIWJKEWLQJROBA-HXUWFJFHSA-N 1 0 385.552 3.019 50 0 GGAARO COc1ccc(-c2cc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)[nH]n2)cc1 ZINC000092078303 571044405 /nfs/dbraw/zinc/04/44/05/571044405.db2.gz UVEPLIIGHUXSCK-LJQANCHMSA-N 1 0 390.487 3.305 50 0 GGAARO CN1CC[C@]2(CN(C(=O)Nc3cccc4ccccc43)CC[N@@H+]2C)CCC1=O ZINC000092081407 571045032 /nfs/dbraw/zinc/04/50/32/571045032.db2.gz JJAPLICVTWQUOO-QFIPXVFZSA-N 1 0 380.492 3.000 50 0 GGAARO O=C(c1ccc(F)cc1F)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095352592 571050495 /nfs/dbraw/zinc/05/04/95/571050495.db2.gz LBNLWOFFXKYBIT-CEWLAPEOSA-N 1 0 384.426 3.373 50 0 GGAARO CCc1[nH]nc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000095352888 571050514 /nfs/dbraw/zinc/05/05/14/571050514.db2.gz MLEZKICBFREQGA-VLCRHTCISA-N 1 0 378.520 3.291 50 0 GGAARO CCn1c(C)nnc1SCC[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000095353864 571050867 /nfs/dbraw/zinc/05/08/67/571050867.db2.gz WHDABFBZSUFODK-UHFFFAOYSA-N 1 0 386.525 3.098 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cc(C)ccc3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095355592 571051709 /nfs/dbraw/zinc/05/17/09/571051709.db2.gz CUHLEILKYYIHBK-MDNUFGMLSA-N 1 0 392.499 3.412 50 0 GGAARO COCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)o1 ZINC000095355820 571052062 /nfs/dbraw/zinc/05/20/62/571052062.db2.gz NFMQGPFYGZCOQO-ZWKOTPCHSA-N 1 0 384.476 3.171 50 0 GGAARO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095356998 571052685 /nfs/dbraw/zinc/05/26/85/571052685.db2.gz WQWHHIFLGLYRTG-NVXWUHKLSA-N 1 0 383.467 3.004 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)CCc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095358612 571053667 /nfs/dbraw/zinc/05/36/67/571053667.db2.gz OPQHZGXWZKELLW-QPTUXGOLSA-N 1 0 391.515 3.112 50 0 GGAARO Cc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(O)CCN(C(=O)N(C)C)C[C@H]4C3)c2)o1 ZINC000095360704 571055162 /nfs/dbraw/zinc/05/51/62/571055162.db2.gz KPLKQQJASFZLHO-NFBKMPQASA-N 1 0 397.519 3.195 50 0 GGAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cc(-c4ccc(C)cc4)no3)C2)C1=O ZINC000095361493 571055620 /nfs/dbraw/zinc/05/56/20/571055620.db2.gz ZFZHCZLKKUTNAP-QFIPXVFZSA-N 1 0 383.492 3.111 50 0 GGAARO Cc1cccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000095363539 571056864 /nfs/dbraw/zinc/05/68/64/571056864.db2.gz RXBSRZRHBYKVKH-WWPVKYPJSA-N 1 0 390.483 3.426 50 0 GGAARO O=C(c1ccc(-n2ccnc2)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095363966 571057083 /nfs/dbraw/zinc/05/70/83/571057083.db2.gz SKFFYNCZNGIHBT-PGRDOPGGSA-N 1 0 387.487 3.004 50 0 GGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3cccc(OC)c3)o1)C2 ZINC000095364498 571057527 /nfs/dbraw/zinc/05/75/27/571057527.db2.gz NDXCDMRJMCXWLB-SJLPKXTDSA-N 1 0 384.476 3.138 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3ccc(C)nc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095364674 571057953 /nfs/dbraw/zinc/05/79/53/571057953.db2.gz SVOJCRFQJBJGFN-YPAWHYETSA-N 1 0 377.488 3.101 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)NCc3ccco3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095365779 571057990 /nfs/dbraw/zinc/05/79/90/571057990.db2.gz YDDIKIDEVPYRPI-PWRODBHTSA-N 1 0 381.476 3.060 50 0 GGAARO COc1cccc(OCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1 ZINC000095366952 571058913 /nfs/dbraw/zinc/05/89/13/571058913.db2.gz HYJASZWTIXNQIR-WOJBJXKFSA-N 1 0 380.488 3.197 50 0 GGAARO O=C(c1cc(-c2ccccc2)no1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095369692 571060446 /nfs/dbraw/zinc/06/04/46/571060446.db2.gz OGFNUWBXWHVAPD-QFBILLFUSA-N 1 0 381.476 3.057 50 0 GGAARO Cc1n[nH]c(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1C ZINC000095370884 571061315 /nfs/dbraw/zinc/06/13/15/571061315.db2.gz FUIUGFFIASFTSK-AZUAARDMSA-N 1 0 384.499 3.221 50 0 GGAARO Cc1nc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccn3)C4)ccc2[nH]1 ZINC000095373011 571062168 /nfs/dbraw/zinc/06/21/68/571062168.db2.gz XJLXFNSRCLMRMA-QFBILLFUSA-N 1 0 375.476 3.003 50 0 GGAARO CC1=C(CC[N@@H+]2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)C(C)(C)CCC1 ZINC000095375436 571064081 /nfs/dbraw/zinc/06/40/81/571064081.db2.gz UOTRTVUONFGLTC-QZTJIDSGSA-N 1 0 383.602 3.106 50 0 GGAARO Cc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C3CCOCC3)C4)[nH]n2)cc1 ZINC000095375756 571064169 /nfs/dbraw/zinc/06/41/69/571064169.db2.gz KZUVFSSQJSPMJE-FXAWDEMLSA-N 1 0 394.519 3.101 50 0 GGAARO O=C(CCc1ccncc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095375448 571064337 /nfs/dbraw/zinc/06/43/37/571064337.db2.gz UGWUIKYILGCOLF-SIKLNZKXSA-N 1 0 375.516 3.104 50 0 GGAARO Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095377388 571065174 /nfs/dbraw/zinc/06/51/74/571065174.db2.gz PHYKDNMIGXLIPU-FCHUYYIVSA-N 1 0 380.536 3.137 50 0 GGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)N1Cc1ccccc1 ZINC000095379134 571066298 /nfs/dbraw/zinc/06/62/98/571066298.db2.gz WCYZLUPIUANESR-ZWKOTPCHSA-N 1 0 376.460 3.293 50 0 GGAARO CCCn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)c(C)n1 ZINC000095379273 571066329 /nfs/dbraw/zinc/06/63/29/571066329.db2.gz IIRBOHAICQIIFL-GHTZIAJQSA-N 1 0 392.547 3.305 50 0 GGAARO COc1cccc(C)c1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095379326 571066429 /nfs/dbraw/zinc/06/64/29/571066429.db2.gz RVNHJPYVQRGBOK-GOSISDBHSA-N 1 0 384.524 3.172 50 0 GGAARO COCc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1OC ZINC000095379890 571066725 /nfs/dbraw/zinc/06/67/25/571066725.db2.gz XSBLQQHPAKYMBA-RBBKRZOGSA-N 1 0 381.520 3.333 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCn2cccc2[C@H]1c1cccnc1 ZINC000095380746 571067275 /nfs/dbraw/zinc/06/72/75/571067275.db2.gz AZGCETODLOQENB-JOCHJYFZSA-N 1 0 390.487 3.320 50 0 GGAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(Cn3cccn3)c2)C1 ZINC000095381208 571067603 /nfs/dbraw/zinc/06/76/03/571067603.db2.gz RGLJJHKJRFTYHR-FCHUYYIVSA-N 1 0 390.535 3.059 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095381091 571067753 /nfs/dbraw/zinc/06/77/53/571067753.db2.gz KXHFANHLEWHFHN-WWPVKYPJSA-N 1 0 390.531 3.299 50 0 GGAARO Cc1nc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000095382323 571068053 /nfs/dbraw/zinc/06/80/53/571068053.db2.gz OYZNKAGGLAVPBG-CEWLAPEOSA-N 1 0 385.508 3.222 50 0 GGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000095381894 571068171 /nfs/dbraw/zinc/06/81/71/571068171.db2.gz LAKZECNFZRBFFL-UHFFFAOYSA-N 1 0 376.451 3.133 50 0 GGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)c(Cl)c(C)[nH]c1=O)C2 ZINC000095382558 571068711 /nfs/dbraw/zinc/06/87/11/571068711.db2.gz DXZRMFAIIHVEHP-HZPDHXFCSA-N 1 0 377.916 3.148 50 0 GGAARO Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c(O)c1 ZINC000095383781 571069190 /nfs/dbraw/zinc/06/91/90/571069190.db2.gz AUZKNSJLZUMMTB-KSEOMHKRSA-N 1 0 378.472 3.109 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc3c(c1)OCCO3)C2 ZINC000095384315 571069524 /nfs/dbraw/zinc/06/95/24/571069524.db2.gz NPLGOEPCOGQBCU-RBUKOAKNSA-N 1 0 383.492 3.159 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cccc(OC)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095386615 571070372 /nfs/dbraw/zinc/07/03/72/571070372.db2.gz WSOQHDWIYIIRGQ-YTFSRNRJSA-N 1 0 392.499 3.406 50 0 GGAARO O=C(c1cncc(Cl)c1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386936 571070781 /nfs/dbraw/zinc/07/07/81/571070781.db2.gz PHPYHTKYVSYVNT-XUVXKRRUSA-N 1 0 383.879 3.143 50 0 GGAARO Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095388382 571071111 /nfs/dbraw/zinc/07/11/11/571071111.db2.gz JBXJYXFFNWWCCM-LJQANCHMSA-N 1 0 378.520 3.294 50 0 GGAARO Cc1nnc(SCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)s1 ZINC000095389004 571071620 /nfs/dbraw/zinc/07/16/20/571071620.db2.gz UJOHHQRHRPCBGA-IAGOWNOFSA-N 1 0 388.562 3.062 50 0 GGAARO O=C(c1ccc(CO)cc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095390077 571072042 /nfs/dbraw/zinc/07/20/42/571072042.db2.gz DOOYGCPULUKWID-BHDDXSALSA-N 1 0 380.463 3.020 50 0 GGAARO O=C(c1ccccc1N1CCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095390859 571072699 /nfs/dbraw/zinc/07/26/99/571072699.db2.gz GMNUGQRTHQWLNT-LEWJYISDSA-N 1 0 390.531 3.418 50 0 GGAARO CCSc1ncc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095392748 571073531 /nfs/dbraw/zinc/07/35/31/571073531.db2.gz XNXDEXSELSVBFL-PWRODBHTSA-N 1 0 396.560 3.356 50 0 GGAARO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C2=O)cc1 ZINC000095482831 571074035 /nfs/dbraw/zinc/07/40/35/571074035.db2.gz WVWDOQZRBLPCLS-INIZCTEOSA-N 1 0 394.349 3.016 50 0 GGAARO O=C(Cc1ccncc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095498710 571075294 /nfs/dbraw/zinc/07/52/94/571075294.db2.gz DRXJQTFMRSXYKF-JOCHJYFZSA-N 1 0 385.552 3.286 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000095498713 571075356 /nfs/dbraw/zinc/07/53/56/571075356.db2.gz RFBXYILOLZHHAJ-SFHVURJKSA-N 1 0 379.508 3.336 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)c3scc4c3OCCO4)CC2)o1 ZINC000095500416 571075884 /nfs/dbraw/zinc/07/58/84/571075884.db2.gz DYKPMNUXZGCCKK-UHFFFAOYSA-N 1 0 390.505 3.405 50 0 GGAARO C[NH+]1CCC(n2nc(COc3cccc(Cl)c3)nc2[C@H]2CCOC2)CC1 ZINC000095501344 571076103 /nfs/dbraw/zinc/07/61/03/571076103.db2.gz FEVSBIFWFGFLHR-AWEZNQCLSA-N 1 0 376.888 3.281 50 0 GGAARO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)no1 ZINC000095500947 571076320 /nfs/dbraw/zinc/07/63/20/571076320.db2.gz KASJSDXYFNCFPW-OAHLLOKOSA-N 1 0 397.454 3.154 50 0 GGAARO C[NH+]1CCC(n2nc(COc3cccc(Cl)c3)nc2[C@@H]2CCOC2)CC1 ZINC000095501343 571076457 /nfs/dbraw/zinc/07/64/57/571076457.db2.gz FEVSBIFWFGFLHR-CQSZACIVSA-N 1 0 376.888 3.281 50 0 GGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000095502147 571076706 /nfs/dbraw/zinc/07/67/06/571076706.db2.gz VNJJSXWYIUQYCT-UHFFFAOYSA-N 1 0 377.492 3.013 50 0 GGAARO COc1cc(C(=O)NCc2cc[nH]n2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095502799 571077099 /nfs/dbraw/zinc/07/70/99/571077099.db2.gz QFOKCTHEEJPACN-UHFFFAOYSA-N 1 0 398.507 3.134 50 0 GGAARO CCc1nccn1CCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095504178 571077488 /nfs/dbraw/zinc/07/74/88/571077488.db2.gz MYPZTAAFQPFHAI-TUACAJSNSA-N 1 0 392.547 3.233 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)C[C@H]2[NH+](C)C)cc1 ZINC000095503994 571077491 /nfs/dbraw/zinc/07/74/91/571077491.db2.gz MXRACKDACZNSNZ-GHTZIAJQSA-N 1 0 378.476 3.050 50 0 GGAARO CC(C)C/C=C(\C[N@@H+]1CCC[C@H](CNS(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000095503570 571077514 /nfs/dbraw/zinc/07/75/14/571077514.db2.gz GMHYNSASIFOLIA-DBRLUCFCSA-N 1 0 393.597 3.224 50 0 GGAARO O=C(N[C@@H]1CCOC1)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000095503526 571077551 /nfs/dbraw/zinc/07/75/51/571077551.db2.gz XSYRJNXLBBVTEJ-OAQYLSRUSA-N 1 0 394.515 3.291 50 0 GGAARO CN(CCO)C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095505010 571078107 /nfs/dbraw/zinc/07/81/07/571078107.db2.gz HJPLFRSEGYBIDU-UHFFFAOYSA-N 1 0 380.916 3.190 50 0 GGAARO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](CCn3cnnc3)C2)cc1Cl ZINC000095505122 571078193 /nfs/dbraw/zinc/07/81/93/571078193.db2.gz APKPTJAKUKFZHO-HNNXBMFYSA-N 1 0 391.903 3.071 50 0 GGAARO Cc1ncncc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000095505830 571078399 /nfs/dbraw/zinc/07/83/99/571078399.db2.gz VPSWHKHPVVNHMH-GOSISDBHSA-N 1 0 386.927 3.465 50 0 GGAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CC(O)C3)cc2Cl)CC1 ZINC000095506266 571078931 /nfs/dbraw/zinc/07/89/31/571078931.db2.gz PYVFQFZWDSAINY-UHFFFAOYSA-N 1 0 380.916 3.046 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)COc1cccnc1 ZINC000095506342 571078944 /nfs/dbraw/zinc/07/89/44/571078944.db2.gz GENHYVLJVWGVKE-UHFFFAOYSA-N 1 0 385.483 3.013 50 0 GGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2cc(Cl)c[nH]c2=O)CC1 ZINC000095507678 571079327 /nfs/dbraw/zinc/07/93/27/571079327.db2.gz NAFHECXRTOLLOO-UHFFFAOYSA-N 1 0 387.911 3.055 50 0 GGAARO Cn1ccnc1[C@H]1CCCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095507215 571079466 /nfs/dbraw/zinc/07/94/66/571079466.db2.gz MVEXSKJHPJJHKS-NRFANRHFSA-N 1 0 380.536 3.428 50 0 GGAARO O[C@@H](COc1ccccc1CN1CCOC2(CCCC2)C1)C[NH+]1CCCCC1 ZINC000095508705 571080344 /nfs/dbraw/zinc/08/03/44/571080344.db2.gz UNQFDXGNAXOPOW-OAQYLSRUSA-N 1 0 388.552 3.057 50 0 GGAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000095509752 571081150 /nfs/dbraw/zinc/08/11/50/571081150.db2.gz OBEOBYQJMLJRKU-UHFFFAOYSA-N 1 0 377.492 3.291 50 0 GGAARO COCCn1ccnc1C1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000095509983 571081605 /nfs/dbraw/zinc/08/16/05/571081605.db2.gz MKECRSWZUWFMPN-INIZCTEOSA-N 1 0 388.537 3.035 50 0 GGAARO O=C(CCC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000095510437 571081704 /nfs/dbraw/zinc/08/17/04/571081704.db2.gz LUTPZJRAMZJDTL-CQSZACIVSA-N 1 0 381.879 3.046 50 0 GGAARO Cc1ccccc1SCC(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000095509989 571081736 /nfs/dbraw/zinc/08/17/36/571081736.db2.gz XKCRTONUPYRQOX-UHFFFAOYSA-N 1 0 386.565 3.251 50 0 GGAARO CCc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc(=O)[nH]1 ZINC000095510984 571081899 /nfs/dbraw/zinc/08/18/99/571081899.db2.gz QNPRRLBXAFJMHW-IBGZPJMESA-N 1 0 395.547 3.272 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cc1C ZINC000095511073 571082106 /nfs/dbraw/zinc/08/21/06/571082106.db2.gz KENGRWNLFNSEFS-LJQANCHMSA-N 1 0 384.524 3.172 50 0 GGAARO COCCN(Cc1ccncc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095511136 571082175 /nfs/dbraw/zinc/08/21/75/571082175.db2.gz CLSYYERTPHMHPG-NRFANRHFSA-N 1 0 379.548 3.409 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)CCc3csc(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095511911 571082674 /nfs/dbraw/zinc/08/26/74/571082674.db2.gz QFTJOKPUHXDZDW-CEWLAPEOSA-N 1 0 396.560 3.055 50 0 GGAARO COc1ccc(C(=O)NCc2ccncc2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095517596 571084615 /nfs/dbraw/zinc/08/46/15/571084615.db2.gz VTOOCUCEMASLFU-UHFFFAOYSA-N 1 0 383.492 3.272 50 0 GGAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCOCC1 ZINC000095517671 571084676 /nfs/dbraw/zinc/08/46/76/571084676.db2.gz QSASOPFCQJHCQG-UHFFFAOYSA-N 1 0 394.515 3.245 50 0 GGAARO CNc1cc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)ccn1 ZINC000095519286 571086180 /nfs/dbraw/zinc/08/61/80/571086180.db2.gz WEIRJBVMAPXNOM-UHFFFAOYSA-N 1 0 384.499 3.289 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)C(=O)c1cccn1C ZINC000095521310 571086913 /nfs/dbraw/zinc/08/69/13/571086913.db2.gz XXGWWFXRCMGVTI-UHFFFAOYSA-N 1 0 395.547 3.319 50 0 GGAARO CCOc1cccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095521061 571086919 /nfs/dbraw/zinc/08/69/19/571086919.db2.gz UWWSXTGAQIBALD-IBGZPJMESA-N 1 0 384.524 3.253 50 0 GGAARO CCOC(=O)Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000095520946 571087211 /nfs/dbraw/zinc/08/72/11/571087211.db2.gz WPZKTGGRKKNYAI-FQEVSTJZSA-N 1 0 381.476 3.188 50 0 GGAARO O=C(CCC[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1)c1ccccc1 ZINC000095521146 571087262 /nfs/dbraw/zinc/08/72/62/571087262.db2.gz JJPPBDWTGYTOJI-PKOBYXMFSA-N 1 0 383.517 3.229 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1C ZINC000095522560 571087999 /nfs/dbraw/zinc/08/79/99/571087999.db2.gz WLARTAAUTYBXMY-UHFFFAOYSA-N 1 0 394.519 3.013 50 0 GGAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cn(CCC)nc1C)CC2 ZINC000095523035 571088015 /nfs/dbraw/zinc/08/80/15/571088015.db2.gz DRASIYPMSDVCBS-UHFFFAOYSA-N 1 0 384.572 3.474 50 0 GGAARO COc1ccc(CN(C)Cc2ccoc2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095522670 571088174 /nfs/dbraw/zinc/08/81/74/571088174.db2.gz ZJBSHNPJCQLMPD-FQEVSTJZSA-N 1 0 388.508 3.146 50 0 GGAARO O=C(c1ccc(O)cn1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095522407 571088221 /nfs/dbraw/zinc/08/82/21/571088221.db2.gz QNMKGLAKEDXZCV-UHFFFAOYSA-N 1 0 394.519 3.479 50 0 GGAARO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](CCCC(=O)c3ccccc3)C[C@H]21 ZINC000095523214 571088834 /nfs/dbraw/zinc/08/88/34/571088834.db2.gz XNWTWJDAIJNCFI-NFBKMPQASA-N 1 0 381.472 3.129 50 0 GGAARO CC[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095523599 571089112 /nfs/dbraw/zinc/08/91/12/571089112.db2.gz HDBBODYDWOGZHK-KRWDZBQOSA-N 1 0 382.537 3.439 50 0 GGAARO Cn1c2ccccc2nc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)C[NH+](C)C ZINC000095524002 571089769 /nfs/dbraw/zinc/08/97/69/571089769.db2.gz IDTJTNUPYNYVKU-QFIPXVFZSA-N 1 0 387.487 3.090 50 0 GGAARO Cc1nn(C)cc1C[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095525329 571089981 /nfs/dbraw/zinc/08/99/81/571089981.db2.gz HRBPAMJEMHOWFZ-UHFFFAOYSA-N 1 0 386.927 3.397 50 0 GGAARO Cn1c(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)nc2ccccc21 ZINC000095525031 571090030 /nfs/dbraw/zinc/09/00/30/571090030.db2.gz ZRDPCNLUQLQHLN-KRWDZBQOSA-N 1 0 380.492 3.127 50 0 GGAARO CCn1nc(C)c(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)c1C ZINC000095526932 571091177 /nfs/dbraw/zinc/09/11/77/571091177.db2.gz VTGFVRYELFQIMP-UHFFFAOYSA-N 1 0 384.572 3.248 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2c[nH]cn2)CC1 ZINC000095527243 571091537 /nfs/dbraw/zinc/09/15/37/571091537.db2.gz XMXMLKCTJHKSQL-UHFFFAOYSA-N 1 0 384.524 3.429 50 0 GGAARO C[C@@H](O)CN(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095527792 571091680 /nfs/dbraw/zinc/09/16/80/571091680.db2.gz UXGJOTHFHOOJDQ-LJQANCHMSA-N 1 0 396.531 3.225 50 0 GGAARO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C[C@H]4CNC(=O)O4)CC3)cc2)c1 ZINC000095529768 571092484 /nfs/dbraw/zinc/09/24/84/571092484.db2.gz DCVSULPSVFAHBT-OAQYLSRUSA-N 1 0 393.487 3.421 50 0 GGAARO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000095530895 571092911 /nfs/dbraw/zinc/09/29/11/571092911.db2.gz WCSJALOKRLYTNV-HXUWFJFHSA-N 1 0 394.515 3.496 50 0 GGAARO CN(Cc1nc2ncccn2n1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000095531324 571093329 /nfs/dbraw/zinc/09/33/29/571093329.db2.gz VHGJGFVCZAOPOP-SFHVURJKSA-N 1 0 398.942 3.164 50 0 GGAARO CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NCC[NH3+] ZINC000002366322 1398309077 /nfs/dbraw/zinc/30/90/77/1398309077.db2.gz XGCBMANQMWHMDF-UHFFFAOYSA-N 1 0 398.536 3.062 50 0 GGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000002406511 1398309901 /nfs/dbraw/zinc/30/99/01/1398309901.db2.gz WUFYXWZPLIYOLG-UHFFFAOYSA-N 1 0 387.480 3.414 50 0 GGAARO COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1CCC[NH+](C)C ZINC000002406572 1398309948 /nfs/dbraw/zinc/30/99/48/1398309948.db2.gz LUJDKJRXGDUVRT-HXUWFJFHSA-N 1 0 392.455 3.299 50 0 GGAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000002578166 1398313096 /nfs/dbraw/zinc/31/30/96/1398313096.db2.gz DRXRSSATFDSNPM-UHFFFAOYSA-N 1 0 390.837 3.064 50 0 GGAARO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)cc1 ZINC000004064011 1398378753 /nfs/dbraw/zinc/37/87/53/1398378753.db2.gz LHMSIOPVCHUMCJ-PMVMPFDFSA-N 1 0 386.536 3.376 50 0 biogenic GGAARO COc1ccccc1[C@]1(CC(=O)NCCC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000004085217 1398379152 /nfs/dbraw/zinc/37/91/52/1398379152.db2.gz HKVSQADDPABDML-RBBKRZOGSA-N 1 0 376.541 3.226 50 0 biogenic GGAARO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000004090678 1398380160 /nfs/dbraw/zinc/38/01/60/1398380160.db2.gz BWMWDILTYRIHGP-JUXOCIIHSA-N 1 0 379.460 3.115 50 0 biogenic GGAARO O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864248 1398847691 /nfs/dbraw/zinc/84/76/91/1398847691.db2.gz QLRWMEVGWHYVHC-GOSISDBHSA-N 1 0 375.538 3.008 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccncc1)N(CCC[NH+](C)C)C3=O ZINC000009328317 1398856758 /nfs/dbraw/zinc/85/67/58/1398856758.db2.gz PXJBQFMHKZHMDR-HXUWFJFHSA-N 1 0 391.471 3.302 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CC[NH+](C)C)C3=O ZINC000010233054 1398881874 /nfs/dbraw/zinc/88/18/74/1398881874.db2.gz OTCTVWMZISKMRW-SFHVURJKSA-N 1 0 397.862 3.257 50 0 GGAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)NC1CCCC1 ZINC000010333878 1398886755 /nfs/dbraw/zinc/88/67/55/1398886755.db2.gz TZWRTBSDFXIJGN-NRFANRHFSA-N 1 0 379.504 3.152 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccc2ccccc21 ZINC000010333628 1398886776 /nfs/dbraw/zinc/88/67/76/1398886776.db2.gz MTBYYLWOAAMWKN-HXUWFJFHSA-N 1 0 397.425 3.476 50 0 GGAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)no1 ZINC000010333932 1398886904 /nfs/dbraw/zinc/88/69/04/1398886904.db2.gz NOKVNBXZTPFLKZ-LJQANCHMSA-N 1 0 392.459 3.028 50 0 GGAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)n1C ZINC000011664009 1399003121 /nfs/dbraw/zinc/00/31/21/1399003121.db2.gz LGQKZCCRUSJYDH-NRFANRHFSA-N 1 0 388.462 3.021 50 0 GGAARO CCc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+](CC)Cc3ccncc3)C2)s1 ZINC000011667929 1399003173 /nfs/dbraw/zinc/00/31/73/1399003173.db2.gz XQVQOGPUUHDMGP-KRWDZBQOSA-N 1 0 393.578 3.381 50 0 GGAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)cc1F ZINC000011664965 1399003216 /nfs/dbraw/zinc/00/32/16/1399003216.db2.gz VFFWYECVKFUDQA-JOCHJYFZSA-N 1 0 383.467 3.244 50 0 GGAARO O=C(CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1)NC1CC1 ZINC000011701745 1399006026 /nfs/dbraw/zinc/00/60/26/1399006026.db2.gz ZEXJIMJMAJRBOD-QFIPXVFZSA-N 1 0 397.563 3.339 50 0 GGAARO Cc1nc2cc(OCc3cc(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)no3)ccc2s1 ZINC000011705592 1399006343 /nfs/dbraw/zinc/00/63/43/1399006343.db2.gz DYSGHOKQWPLJQQ-AWEZNQCLSA-N 1 0 398.488 3.092 50 0 GGAARO CCCc1cc(CNC(=O)c2ccc(N3CCC([C@H](C)[NH+](C)C)CC3)nc2)on1 ZINC000011843166 1399015086 /nfs/dbraw/zinc/01/50/86/1399015086.db2.gz ZEHTXSYTOUYBOZ-INIZCTEOSA-N 1 0 399.539 3.119 50 0 GGAARO O=C(CC[C@H]1CCCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1)NC1CC1 ZINC000011840158 1399015299 /nfs/dbraw/zinc/01/52/99/1399015299.db2.gz CPTNKTPVZVXBNI-LJQANCHMSA-N 1 0 397.563 3.163 50 0 GGAARO CCOc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)cc1CO ZINC000011938256 1399018094 /nfs/dbraw/zinc/01/80/94/1399018094.db2.gz MMAUBMKCEBQONS-IBGZPJMESA-N 1 0 384.476 3.383 50 0 GGAARO CC(=O)c1cc(CC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)cs1 ZINC000011934252 1399018394 /nfs/dbraw/zinc/01/83/94/1399018394.db2.gz YHSDSNUCHFAKIR-IBGZPJMESA-N 1 0 385.533 3.054 50 0 GGAARO CC1(C)C(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccn4)CC3)O2)C1(C)C ZINC000011995842 1399023207 /nfs/dbraw/zinc/02/32/07/1399023207.db2.gz UQBMCAGBWKHASB-GOSISDBHSA-N 1 0 385.552 3.394 50 0 GGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)s1 ZINC000012021853 1399023848 /nfs/dbraw/zinc/02/38/48/1399023848.db2.gz BFGDHMDDZHJFTE-MRXNPFEDSA-N 1 0 381.505 3.488 50 0 GGAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000012030487 1399024657 /nfs/dbraw/zinc/02/46/57/1399024657.db2.gz FYHKGTQWMYTMTH-QGZVFWFLSA-N 1 0 399.516 3.133 50 0 GGAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000012030484 1399024758 /nfs/dbraw/zinc/02/47/58/1399024758.db2.gz FYHKGTQWMYTMTH-KRWDZBQOSA-N 1 0 399.516 3.133 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCN1CCCC1=O ZINC000012054598 1399025843 /nfs/dbraw/zinc/02/58/43/1399025843.db2.gz FNGCIMXDERFARR-UHFFFAOYSA-N 1 0 399.579 3.111 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012072643 1399026732 /nfs/dbraw/zinc/02/67/32/1399026732.db2.gz YHSQSAILHCGNSB-LJQANCHMSA-N 1 0 377.510 3.116 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cscn1 ZINC000012074470 1399027316 /nfs/dbraw/zinc/02/73/16/1399027316.db2.gz CGORZLARJJSWMR-UHFFFAOYSA-N 1 0 391.512 3.283 50 0 GGAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CC2CC2)C4)c1 ZINC000012125990 1399030155 /nfs/dbraw/zinc/03/01/55/1399030155.db2.gz UFLGPXGPYUGUMY-MRXNPFEDSA-N 1 0 395.528 3.372 50 0 GGAARO O=C(Cc1cccc(F)c1)NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000012154809 1399030714 /nfs/dbraw/zinc/03/07/14/1399030714.db2.gz BLLUIUDEICQYOQ-NRFANRHFSA-N 1 0 397.494 3.093 50 0 GGAARO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCCN(C(=O)/C=C/c3ccco3)C1)CC2 ZINC000012193210 1399032896 /nfs/dbraw/zinc/03/28/96/1399032896.db2.gz OHEDEUUKZRVNPX-UCFODXPJSA-N 1 0 396.487 3.359 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000012209557 1399033276 /nfs/dbraw/zinc/03/32/76/1399033276.db2.gz LKOPMOAIRRQLKQ-CQSZACIVSA-N 1 0 381.973 3.357 50 0 GGAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000012247329 1399034889 /nfs/dbraw/zinc/03/48/89/1399034889.db2.gz KBMIGYRBMUAWKU-INIZCTEOSA-N 1 0 390.487 3.085 50 0 GGAARO COc1ccccc1OCC(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012299581 1399036494 /nfs/dbraw/zinc/03/64/94/1399036494.db2.gz SFDAWVLWMLOUFW-FQEVSTJZSA-N 1 0 382.504 3.240 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CCc1cn[nH]c1 ZINC000012298988 1399036666 /nfs/dbraw/zinc/03/66/66/1399036666.db2.gz KJJLJQFOHJHYDT-NRFANRHFSA-N 1 0 398.551 3.154 50 0 GGAARO CCN(CC)C(=O)c1cn(C2CC[NH+](Cc3cccc4ncccc34)CC2)nn1 ZINC000012281718 1399036680 /nfs/dbraw/zinc/03/66/80/1399036680.db2.gz YYPSDJYXLYEVSS-UHFFFAOYSA-N 1 0 392.507 3.145 50 0 GGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC1(O)CCCCC1)C3 ZINC000012281379 1399036751 /nfs/dbraw/zinc/03/67/51/1399036751.db2.gz HVRUYHUWCIODLO-HNNXBMFYSA-N 1 0 389.565 3.400 50 0 GGAARO O=S(=O)(c1cccnc1)N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012302254 1399037449 /nfs/dbraw/zinc/03/74/49/1399037449.db2.gz JVWDTUQPQINZGX-NRFANRHFSA-N 1 0 399.560 3.047 50 0 GGAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)C3=CCCC3)CC2)CC1 ZINC000012305062 1399037647 /nfs/dbraw/zinc/03/76/47/1399037647.db2.gz UYAFCOUTNJMHDZ-UHFFFAOYSA-N 1 0 396.579 3.327 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000012307741 1399038226 /nfs/dbraw/zinc/03/82/26/1399038226.db2.gz RQCPDNYLKXWFJL-UHFFFAOYSA-N 1 0 381.476 3.026 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)nn1 ZINC000012513361 1399046389 /nfs/dbraw/zinc/04/63/89/1399046389.db2.gz MALOGDQHIQLYLA-KRWDZBQOSA-N 1 0 387.553 3.319 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)nn1 ZINC000012513355 1399046546 /nfs/dbraw/zinc/04/65/46/1399046546.db2.gz MALOGDQHIQLYLA-QGZVFWFLSA-N 1 0 387.553 3.319 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000012573883 1399047314 /nfs/dbraw/zinc/04/73/14/1399047314.db2.gz LXKJDKSXQZQNKW-LJQANCHMSA-N 1 0 377.960 3.338 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CCCSC)CC2)c1 ZINC000012573637 1399047363 /nfs/dbraw/zinc/04/73/63/1399047363.db2.gz RIVBDIDMJDAHHP-UHFFFAOYSA-N 1 0 378.538 3.184 50 0 GGAARO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](CCc4ccccc4)CC3)C2)nn1C ZINC000012579242 1399048122 /nfs/dbraw/zinc/04/81/22/1399048122.db2.gz WOFOOAMCDHEYIU-NRFANRHFSA-N 1 0 380.536 3.145 50 0 GGAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000012574709 1399048132 /nfs/dbraw/zinc/04/81/32/1399048132.db2.gz ROWRMDDNBFZKIK-QHCPKHFHSA-N 1 0 386.536 3.275 50 0 GGAARO Cc1cc(CNCc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)on1 ZINC000012581056 1399048282 /nfs/dbraw/zinc/04/82/82/1399048282.db2.gz ZYROAWMZDDKYJX-FQEVSTJZSA-N 1 0 387.524 3.277 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](CC2=Cc3cc(OC)ccc3OC2)C1 ZINC000012587405 1399048919 /nfs/dbraw/zinc/04/89/19/1399048919.db2.gz MGLNVGGFNLIOLI-QFIPXVFZSA-N 1 0 389.492 3.153 50 0 GGAARO COc1ccc(OCc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)no2)c(Cl)c1 ZINC000012583228 1399048992 /nfs/dbraw/zinc/04/89/92/1399048992.db2.gz IUNWVVWYXAURBQ-ZDUSSCGKSA-N 1 0 393.871 3.082 50 0 GGAARO Cc1csc(SCC(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000012703565 1399054574 /nfs/dbraw/zinc/05/45/74/1399054574.db2.gz ICDYYRZEQDGDAL-QGZVFWFLSA-N 1 0 387.574 3.292 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000012708262 1399054703 /nfs/dbraw/zinc/05/47/03/1399054703.db2.gz LECIBIZMQDWZQD-HNNXBMFYSA-N 1 0 393.934 3.434 50 0 GGAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000012709310 1399054741 /nfs/dbraw/zinc/05/47/41/1399054741.db2.gz VNFOYAJCYFTODW-UHFFFAOYSA-N 1 0 377.960 3.496 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1cccnc1 ZINC000012707683 1399055022 /nfs/dbraw/zinc/05/50/22/1399055022.db2.gz DRPCNGCAIVEXRX-LJQANCHMSA-N 1 0 393.531 3.050 50 0 GGAARO O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012718063 1399055348 /nfs/dbraw/zinc/05/53/48/1399055348.db2.gz SHMDELXUSIQYQJ-NRFANRHFSA-N 1 0 387.430 3.194 50 0 GGAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000012717863 1399055490 /nfs/dbraw/zinc/05/54/90/1399055490.db2.gz PMWAESIMQSLPFM-MRXNPFEDSA-N 1 0 381.923 3.245 50 0 GGAARO CC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012719005 1399055661 /nfs/dbraw/zinc/05/56/61/1399055661.db2.gz HTSAMDSBBOOGTQ-JOCHJYFZSA-N 1 0 391.515 3.349 50 0 GGAARO C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012745153 1399057627 /nfs/dbraw/zinc/05/76/27/1399057627.db2.gz BWNRZUMUWRAIAM-OAQYLSRUSA-N 1 0 392.421 3.089 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)C2=CCCCC2)CC1 ZINC000012755348 1399058171 /nfs/dbraw/zinc/05/81/71/1399058171.db2.gz APVYHDKHAVSYFF-FQEVSTJZSA-N 1 0 375.557 3.106 50 0 GGAARO COc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000013011461 1399071597 /nfs/dbraw/zinc/07/15/97/1399071597.db2.gz OVRLRALSGOPTMK-INIZCTEOSA-N 1 0 390.505 3.341 50 0 GGAARO CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014539096 1399109693 /nfs/dbraw/zinc/10/96/93/1399109693.db2.gz OPBOQSOGAQWRBW-LJQANCHMSA-N 1 0 392.503 3.415 50 0 GGAARO CC(C)CN1C(=O)N(C)C2(CC[NH+](Cc3cn(C)c4ccccc34)CC2)C1=O ZINC000014543559 1399109702 /nfs/dbraw/zinc/10/97/02/1399109702.db2.gz BUFHNJHHPHLWGQ-UHFFFAOYSA-N 1 0 382.508 3.063 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000014542572 1399109718 /nfs/dbraw/zinc/10/97/18/1399109718.db2.gz OKLLFKYTMNIYCL-MRXNPFEDSA-N 1 0 386.565 3.187 50 0 GGAARO O=C([C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000014532566 1399109801 /nfs/dbraw/zinc/10/98/01/1399109801.db2.gz AMFMBAAPPOZAIB-VQTJNVASSA-N 1 0 397.494 3.360 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(OC)cc1)C2 ZINC000014539942 1399109945 /nfs/dbraw/zinc/10/99/45/1399109945.db2.gz PYWBDHYLUOFADV-SFHVURJKSA-N 1 0 396.535 3.185 50 0 GGAARO COc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H](COc3ccc4c(c3)CCC4)C2)cc1 ZINC000014540986 1399109995 /nfs/dbraw/zinc/10/99/95/1399109995.db2.gz CDJFSIZAJZRWPT-GHTZIAJQSA-N 1 0 394.515 3.105 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1)C2 ZINC000014540053 1399110080 /nfs/dbraw/zinc/11/00/80/1399110080.db2.gz LJUQSWSJMZDGMN-LJQANCHMSA-N 1 0 380.536 3.219 50 0 GGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]C1CCCCC1)CC2 ZINC000014731425 1399117043 /nfs/dbraw/zinc/11/70/43/1399117043.db2.gz NDUOSAXVKVBCQO-LJQANCHMSA-N 1 0 380.536 3.413 50 0 GGAARO Cc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)o1 ZINC000014733320 1399117221 /nfs/dbraw/zinc/11/72/21/1399117221.db2.gz NUPWAKCPFZOFTP-GOSISDBHSA-N 1 0 392.503 3.182 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000014732571 1399117354 /nfs/dbraw/zinc/11/73/54/1399117354.db2.gz YRGIRNOKWAQPIW-INIZCTEOSA-N 1 0 386.565 3.280 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(OC)c1)C2 ZINC000014749299 1399117782 /nfs/dbraw/zinc/11/77/82/1399117782.db2.gz RJBDIBQSVHMHOR-GOSISDBHSA-N 1 0 396.535 3.185 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(C)c1)C2 ZINC000014742455 1399117784 /nfs/dbraw/zinc/11/77/84/1399117784.db2.gz NFBRSMKQXNQENE-IBGZPJMESA-N 1 0 380.536 3.485 50 0 GGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccn1)C2 ZINC000014742357 1399117796 /nfs/dbraw/zinc/11/77/96/1399117796.db2.gz ADNHAJKXXNVKEY-IBGZPJMESA-N 1 0 395.551 3.004 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000014745793 1399117797 /nfs/dbraw/zinc/11/77/97/1399117797.db2.gz VSJYFFCTIUXOOF-KRWDZBQOSA-N 1 0 390.597 3.119 50 0 GGAARO Cc1cc(C[N@@H+](C)[C@H]2CCc3c(c(C(=O)N4CCCC4)nn3CC(C)C)C2)on1 ZINC000014747279 1399117841 /nfs/dbraw/zinc/11/78/41/1399117841.db2.gz MJEGRINONSRQOQ-KRWDZBQOSA-N 1 0 399.539 3.061 50 0 GGAARO Cc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)NCc4cccs4)nn3C)C2)cc1 ZINC000014746325 1399117847 /nfs/dbraw/zinc/11/78/47/1399117847.db2.gz VGIHTQWMXANVAQ-QGZVFWFLSA-N 1 0 394.544 3.367 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccc4ccccc4c3)C2)CC1 ZINC000014950299 1399128799 /nfs/dbraw/zinc/12/87/99/1399128799.db2.gz YAOUKAZRTNCMNE-QFIPXVFZSA-N 1 0 379.548 3.305 50 0 GGAARO CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CCCOC(C)C)C3 ZINC000014952635 1399128875 /nfs/dbraw/zinc/12/88/75/1399128875.db2.gz AFQXMYHHMXOOOP-OAHLLOKOSA-N 1 0 377.554 3.376 50 0 GGAARO Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C(C)C)C4)n1 ZINC000014964991 1399129413 /nfs/dbraw/zinc/12/94/13/1399129413.db2.gz NCNMHHLIZHPWKH-MRXNPFEDSA-N 1 0 399.564 3.217 50 0 GGAARO CSCCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014968537 1399129434 /nfs/dbraw/zinc/12/94/34/1399129434.db2.gz USENRHNXKHBTNE-FQEVSTJZSA-N 1 0 389.609 3.232 50 0 GGAARO O=C(CCc1cn[nH]c1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000014968897 1399129466 /nfs/dbraw/zinc/12/94/66/1399129466.db2.gz HLVLBKKYMHFRSC-QHCPKHFHSA-N 1 0 380.536 3.290 50 0 GGAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnn(C)c2C)C1 ZINC000014973054 1399129506 /nfs/dbraw/zinc/12/95/06/1399129506.db2.gz ZXKVGKDHGPUDQD-NRFANRHFSA-N 1 0 391.462 3.395 50 0 GGAARO Cc1nn(C)cc1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000014977505 1399129694 /nfs/dbraw/zinc/12/96/94/1399129694.db2.gz BWLWEFGIPRLTOS-GOSISDBHSA-N 1 0 394.441 3.418 50 0 GGAARO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NC[C@H]2CCCO2)c(=O)[nH]1 ZINC000014996300 1399130221 /nfs/dbraw/zinc/13/02/21/1399130221.db2.gz QDSSWGAOSJGVJB-HXUWFJFHSA-N 1 0 397.519 3.086 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](C/C=C/c3ccc(OC)cc3)C2)nn1 ZINC000015001762 1399130970 /nfs/dbraw/zinc/13/09/70/1399130970.db2.gz RWDBAAYCIQKIRL-ZLQZBKBYSA-N 1 0 397.523 3.119 50 0 GGAARO Cc1ccccc1-c1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1 ZINC000015066147 1399136127 /nfs/dbraw/zinc/13/61/27/1399136127.db2.gz HFEXNOKHAFUABC-DNQXCXABSA-N 1 0 380.532 3.054 50 0 GGAARO O=C(CCn1cnc2ccccc21)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015073233 1399136518 /nfs/dbraw/zinc/13/65/18/1399136518.db2.gz SHNHRKQZESWNPJ-HXUWFJFHSA-N 1 0 376.504 3.250 50 0 GGAARO CN(C(=O)CC[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000015074943 1399136635 /nfs/dbraw/zinc/13/66/35/1399136635.db2.gz KSCLFIOVWZYXMS-QYFOZDBKSA-N 1 0 397.563 3.271 50 0 GGAARO O=C1C[C@H]([NH2+]Cc2cccn2-c2nccs2)CN1CCCc1ccccc1 ZINC000015075341 1399136774 /nfs/dbraw/zinc/13/67/74/1399136774.db2.gz UARLYVAMZSZRPA-SFHVURJKSA-N 1 0 380.517 3.257 50 0 GGAARO COCCN(Cc1c[nH]c(C)n1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000015079096 1399137481 /nfs/dbraw/zinc/13/74/81/1399137481.db2.gz VVZHKHWEHGYEFP-IBGZPJMESA-N 1 0 382.552 3.046 50 0 GGAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)CC1 ZINC000019225286 1399328411 /nfs/dbraw/zinc/32/84/11/1399328411.db2.gz PWMMYRBLEZDTBE-LJQANCHMSA-N 1 0 380.536 3.001 50 0 GGAARO CCOc1ccc(CN2CCC[C@@H]([N@H+](CC)Cc3ccncc3)C2)cc1CO ZINC000019225076 1399328526 /nfs/dbraw/zinc/32/85/26/1399328526.db2.gz YSUKFMMQLFNJKK-JOCHJYFZSA-N 1 0 383.536 3.459 50 0 GGAARO Cc1csc(CN(C)c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)n1 ZINC000019335263 1399329799 /nfs/dbraw/zinc/32/97/99/1399329799.db2.gz ZCWUKVBWWDVIOV-KRWDZBQOSA-N 1 0 387.553 3.087 50 0 GGAARO Cc1c(C[NH+]2CCN(c3cccc(C)c3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000019635049 1399333340 /nfs/dbraw/zinc/33/33/40/1399333340.db2.gz XHFMPIMZJXTCBO-UHFFFAOYSA-N 1 0 390.531 3.423 50 0 GGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1C ZINC000019782200 1399338197 /nfs/dbraw/zinc/33/81/97/1399338197.db2.gz RDBSBVOLNRIKGC-JOCHJYFZSA-N 1 0 381.568 3.306 50 0 GGAARO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000019830685 1399338740 /nfs/dbraw/zinc/33/87/40/1399338740.db2.gz UBUCKKMNCDENRY-FQEVSTJZSA-N 1 0 378.520 3.125 50 0 GGAARO C[C@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000019850816 1399339299 /nfs/dbraw/zinc/33/92/99/1399339299.db2.gz MDIFEKUOJODMCH-RTBURBONSA-N 1 0 395.551 3.436 50 0 GGAARO CN(CC[N@@H+]1CCc2ccccc2C1)Cc1nc(CCc2ccccc2)no1 ZINC000019842496 1399339603 /nfs/dbraw/zinc/33/96/03/1399339603.db2.gz LNMBDXNCXYBNSD-UHFFFAOYSA-N 1 0 376.504 3.345 50 0 GGAARO O=C(CCc1cn[nH]c1)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000019952366 1399340037 /nfs/dbraw/zinc/34/00/37/1399340037.db2.gz KFAMZYFNNXYPAX-JOCHJYFZSA-N 1 0 380.536 3.146 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2C)CN1Cc1ccccc1 ZINC000020166778 1399343415 /nfs/dbraw/zinc/34/34/15/1399343415.db2.gz XPAKYBVMUVMGKL-VXKWHMMOSA-N 1 0 395.547 3.181 50 0 GGAARO COCC[NH+]1CCN(Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)CC1 ZINC000020212240 1399344644 /nfs/dbraw/zinc/34/46/44/1399344644.db2.gz JGKLQAQAGZUTSV-UHFFFAOYSA-N 1 0 398.482 3.344 50 0 GGAARO COc1ccc(-c2ncc(CN3CC[N@H+](CCC(C)C)[C@@H](CCO)C3)cn2)cc1 ZINC000020450057 1399346764 /nfs/dbraw/zinc/34/67/64/1399346764.db2.gz PLVNDMPFJJOHIU-NRFANRHFSA-N 1 0 398.551 3.067 50 0 GGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020450663 1399346795 /nfs/dbraw/zinc/34/67/95/1399346795.db2.gz UXKKVIFEJNWJAC-GOSISDBHSA-N 1 0 399.457 3.444 50 0 GGAARO CCN(C)c1cc(-c2cccc(-c3ccn(C[C@@H]4CC[N@H+](C)C4)n3)c2)ncn1 ZINC000020540972 1399348490 /nfs/dbraw/zinc/34/84/90/1399348490.db2.gz ZQBDVZJBOOTCAJ-QGZVFWFLSA-N 1 0 376.508 3.415 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1Cc1cccs1 ZINC000020598590 1399349122 /nfs/dbraw/zinc/34/91/22/1399349122.db2.gz LNZYVFMWJKFEQT-IBGZPJMESA-N 1 0 382.533 3.003 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000020600055 1399349411 /nfs/dbraw/zinc/34/94/11/1399349411.db2.gz WIPQTHCKNXPNGD-HKUYNNGSSA-N 1 0 391.437 3.184 50 0 GGAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cn2)CC1 ZINC000020601024 1399350240 /nfs/dbraw/zinc/35/02/40/1399350240.db2.gz TXDOWPOETAJFCM-UHFFFAOYSA-N 1 0 392.547 3.318 50 0 GGAARO O=c1cc(CN2CC[NH+](CCc3ccncc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000020718916 1399351999 /nfs/dbraw/zinc/35/19/99/1399351999.db2.gz MZRBVQFHXQJYOA-UHFFFAOYSA-N 1 0 389.499 3.037 50 0 GGAARO c1ccc(Cc2noc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020781835 1399352638 /nfs/dbraw/zinc/35/26/38/1399352638.db2.gz NPRLULMTXBRZOX-JOCHJYFZSA-N 1 0 388.515 3.336 50 0 GGAARO CCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1ccc(CC)cc1)CC2)C(C)C ZINC000020782793 1399353148 /nfs/dbraw/zinc/35/31/48/1399353148.db2.gz CCVSAEMFWZQIRT-NRFANRHFSA-N 1 0 383.540 3.122 50 0 GGAARO Cc1ncc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](n2ccnc2)[C@@H]3O)s1 ZINC000020775027 1399353276 /nfs/dbraw/zinc/35/32/76/1399353276.db2.gz YXEARVNCHFGGJY-UXHICEINSA-N 1 0 380.517 3.146 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C/C(C)=C/c2ccccc2)CN1C1Cc2ccccc2C1 ZINC000020918080 1399357697 /nfs/dbraw/zinc/35/76/97/1399357697.db2.gz RBVBHZDAOHQKQR-VDSRHVBMSA-N 1 0 389.543 3.036 50 0 GGAARO O=C(C1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020998469 1399360429 /nfs/dbraw/zinc/36/04/29/1399360429.db2.gz WMZONPXXVSWPLV-CTNGQTDRSA-N 1 0 392.503 3.492 50 0 GGAARO COc1ccccc1-n1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cn1 ZINC000022851272 1399510965 /nfs/dbraw/zinc/51/09/65/1399510965.db2.gz VAPHUCFCYXMADX-OAQYLSRUSA-N 1 0 398.551 3.082 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1C1CCCCC1 ZINC000022932827 1399518442 /nfs/dbraw/zinc/51/84/42/1399518442.db2.gz QRRDCYOXAFTKGX-OAQYLSRUSA-N 1 0 396.535 3.470 50 0 GGAARO CN(Cc1nc(-c2cccs2)no1)CC1([NH+]2CCOCC2)CCCCC1 ZINC000022932762 1399518501 /nfs/dbraw/zinc/51/85/01/1399518501.db2.gz WMWFCRJGPUYPQZ-UHFFFAOYSA-N 1 0 376.526 3.265 50 0 GGAARO CCCn1cc(-c2ccnc(N3CCC([NH+]4CCSCC4)CC3)n2)c(C)n1 ZINC000023214245 1399540391 /nfs/dbraw/zinc/54/03/91/1399540391.db2.gz NMNAYFDOTDPUIY-UHFFFAOYSA-N 1 0 386.569 3.076 50 0 GGAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000023231482 1399542444 /nfs/dbraw/zinc/54/24/44/1399542444.db2.gz KCSVJXAZJIMPRZ-INIZCTEOSA-N 1 0 396.516 3.293 50 0 GGAARO O=C(Nc1ccnn1C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000023361266 1399552919 /nfs/dbraw/zinc/55/29/19/1399552919.db2.gz UEYRGTMZMQXZLA-NRFANRHFSA-N 1 0 393.535 3.143 50 0 GGAARO CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1CNC[C@@H]1CCC[N@@H+]1CC ZINC000023362867 1399553044 /nfs/dbraw/zinc/55/30/44/1399553044.db2.gz OMCNZSXUYNPKRP-KRWDZBQOSA-N 1 0 390.915 3.276 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1C(C)C ZINC000023358910 1399553086 /nfs/dbraw/zinc/55/30/86/1399553086.db2.gz NPGDLGOFGPKQQC-GMAHTHKFSA-N 1 0 395.547 3.343 50 0 GGAARO Cc1nccnc1-c1cc(=O)[nH]c(-c2cccc(C[N@H+]3CCC[C@@H](C)C3)c2)n1 ZINC000023379801 1399554554 /nfs/dbraw/zinc/55/45/54/1399554554.db2.gz XEDABRKINOCJMB-OAHLLOKOSA-N 1 0 375.476 3.434 50 0 GGAARO C[N@@H+](Cc1cccc(-c2nc3c(c(=O)[nH]2)CCC3)c1)C[C@H]1Cc2ccccc2O1 ZINC000023379582 1399554574 /nfs/dbraw/zinc/55/45/74/1399554574.db2.gz MDFGMEHQFNJMLR-LJQANCHMSA-N 1 0 387.483 3.361 50 0 GGAARO Fc1ccc(-n2cc(-c3ccnc(N4CC[N@@H+]5CCCC[C@@H]5C4)n3)cn2)cc1 ZINC000023619726 1399575028 /nfs/dbraw/zinc/57/50/28/1399575028.db2.gz RSSBQKWGAXLCHA-LJQANCHMSA-N 1 0 378.455 3.143 50 0 GGAARO CCOC(=O)[C@@H]1CCCN(c2cc(C)c3c(cc(OC)c(OC)c3OC)[nH+]2)C1 ZINC000023634693 1399576124 /nfs/dbraw/zinc/57/61/24/1399576124.db2.gz IDOPMKRLRUBNMM-CQSZACIVSA-N 1 0 388.464 3.349 50 0 GGAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000043119859 1403712154 /nfs/dbraw/zinc/71/21/54/1403712154.db2.gz JDRIMHFGEVROSH-IAGOWNOFSA-N 1 0 394.462 3.121 50 0 GGAARO COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1=O ZINC000047452240 1404841791 /nfs/dbraw/zinc/84/17/91/1404841791.db2.gz YQSSXJKSGDIBSY-SFHVURJKSA-N 1 0 393.487 3.283 50 0 GGAARO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048315026 1405141212 /nfs/dbraw/zinc/14/12/12/1405141212.db2.gz KKIZQTHDNGMJKR-GOSISDBHSA-N 1 0 390.487 3.357 50 0 GGAARO Cc1ncc(CO)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)c1O ZINC000067654774 1409198295 /nfs/dbraw/zinc/19/82/95/1409198295.db2.gz WMHJXQVJEINAOP-SFHVURJKSA-N 1 0 392.503 3.281 50 0 GGAARO OC[C@H]1CCCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072470618 1409849743 /nfs/dbraw/zinc/84/97/43/1409849743.db2.gz KHRLYUGSMLXUPQ-INIZCTEOSA-N 1 0 386.927 3.008 50 0 GGAARO COc1ccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)cc1 ZINC000079485842 1409976808 /nfs/dbraw/zinc/97/68/08/1409976808.db2.gz MFFQUMNTPBZEFB-UHFFFAOYSA-N 1 0 386.448 3.042 50 0 GGAARO O=c1[nH]c(-c2cccc(C[N@H+]3CC[C@](O)(c4ccccc4)C3)c2)nc2c1CCC2 ZINC000082039526 1410025925 /nfs/dbraw/zinc/02/59/25/1410025925.db2.gz XXBZCMOBBQYRRM-XMMPIXPASA-N 1 0 387.483 3.019 50 0 GGAARO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091381401 1410073089 /nfs/dbraw/zinc/07/30/89/1410073089.db2.gz XQOUXHNUWWLKTA-JOCHJYFZSA-N 1 0 384.499 3.305 50 0 GGAARO O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000092081157 1410106431 /nfs/dbraw/zinc/10/64/31/1410106431.db2.gz BBXRVEJOFJYYQR-DHIUTWEWSA-N 1 0 378.516 3.059 50 0 GGAARO CN1CCc2nc[nH]c2C12CC[NH+](CC1=Cc3cc(Cl)ccc3OC1)CC2 ZINC000095528578 1410315180 /nfs/dbraw/zinc/31/51/80/1410315180.db2.gz QJZXYOVBJOJFGR-UHFFFAOYSA-N 1 0 384.911 3.318 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)cc1OC ZINC000096344506 1410327498 /nfs/dbraw/zinc/32/74/98/1410327498.db2.gz RIJIGURABGYWQG-VQIMIIECSA-N 1 0 398.507 3.088 50 0 GGAARO CC(=O)Nc1ccc2nc(CN3CC[N@@H+](CCC(C)C)[C@H](CCO)C3)ccc2c1 ZINC000104355034 1410893235 /nfs/dbraw/zinc/89/32/35/1410893235.db2.gz SVEUOQJXAIHPRZ-JOCHJYFZSA-N 1 0 398.551 3.108 50 0 GGAARO O=C(CCCc1nc(-c2ccccc2)no1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000225406219 1433366908 /nfs/dbraw/zinc/36/69/08/1433366908.db2.gz BUDHMTPSPADVKZ-RTBURBONSA-N 1 0 382.508 3.440 50 0 biogenic GGAARO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1-n1nc(C)cc1C ZINC000225419908 1433366936 /nfs/dbraw/zinc/36/69/36/1433366936.db2.gz LJJRZIPZDWKLFW-WOJBJXKFSA-N 1 0 396.535 3.492 50 0 biogenic GGAARO C[C@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CCC[C@](C)(CO)C3)CC2)cc1 ZINC000257372023 1433895153 /nfs/dbraw/zinc/89/51/53/1433895153.db2.gz MUHYQGKMRZXKFO-MBSDFSHPSA-N 1 0 385.552 3.265 50 0 GGAARO CC(=O)Nc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000263810909 1434036409 /nfs/dbraw/zinc/03/64/09/1434036409.db2.gz OBZYLTMFJZUMPB-UHFFFAOYSA-N 1 0 379.504 3.426 50 0 GGAARO O=C(CC1(n2cccc2)CCSCC1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000263586613 231043960 /nfs/dbraw/zinc/04/39/60/231043960.db2.gz WEJIMMLFSRVGHE-RBUKOAKNSA-N 1 0 375.582 3.481 50 0 biogenic GGAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000426431738 231220484 /nfs/dbraw/zinc/22/04/84/231220484.db2.gz FRCBBYUNXHLZDU-IBGZPJMESA-N 1 0 383.540 3.189 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000409414774 231203296 /nfs/dbraw/zinc/20/32/96/231203296.db2.gz WRVCFCAGGBWLAG-LPHOPBHVSA-N 1 0 386.496 3.023 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414552 231203513 /nfs/dbraw/zinc/20/35/13/231203513.db2.gz MJDYLKVEQWCGOC-RXVVDRJESA-N 1 0 390.572 3.351 50 0 GGAARO Cc1ccccc1CN1CCn2c1nc1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000409444150 231207418 /nfs/dbraw/zinc/20/74/18/231207418.db2.gz CPNBPKFMVTVDRX-UHFFFAOYSA-N 1 0 386.499 3.130 50 0 GGAARO Nc1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccco4)CC3)cc2)cn1 ZINC000426368380 231208016 /nfs/dbraw/zinc/20/80/16/231208016.db2.gz XKWDSUFCBHEPMD-UHFFFAOYSA-N 1 0 376.460 3.149 50 0 GGAARO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426370513 231208166 /nfs/dbraw/zinc/20/81/66/231208166.db2.gz MMQSHSWKKKZIJG-OAQYLSRUSA-N 1 0 377.488 3.412 50 0 GGAARO Nc1ncc(-c2cccc(C(=O)N3CCC[N@@H+](C4CCCCC4)CC3)c2)cn1 ZINC000426376396 231209294 /nfs/dbraw/zinc/20/92/94/231209294.db2.gz PEFKVTWWLBWNPR-UHFFFAOYSA-N 1 0 379.508 3.037 50 0 GGAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)N(Cc1cccc(Cl)c1)C1CC1 ZINC000426374146 231210238 /nfs/dbraw/zinc/21/02/38/231210238.db2.gz JDQRXVVICMNDBK-IBGZPJMESA-N 1 0 379.932 3.251 50 0 GGAARO Cc1c(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cnc2ccnn21 ZINC000426388128 231212184 /nfs/dbraw/zinc/21/21/84/231212184.db2.gz HGCLQZJOXVJHAR-HXUWFJFHSA-N 1 0 377.492 3.467 50 0 GGAARO Cc1cc(-c2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)nc2cc(F)ccc12 ZINC000426394455 231213563 /nfs/dbraw/zinc/21/35/63/231213563.db2.gz AVOYHCXEZFXYHI-SFHVURJKSA-N 1 0 379.435 3.068 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)cc1 ZINC000426397671 231213723 /nfs/dbraw/zinc/21/37/23/231213723.db2.gz YLMZYBDGAFDJJK-LJQANCHMSA-N 1 0 383.540 3.189 50 0 GGAARO Clc1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C[C@@H]2CCCO2)nc1 ZINC000426477806 231225908 /nfs/dbraw/zinc/22/59/08/231225908.db2.gz YSBSQFWFDMIVJV-AWEZNQCLSA-N 1 0 379.917 3.124 50 0 GGAARO C[C@H](NC(=O)N1CC[NH+](CC2CCCC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000426523370 231235024 /nfs/dbraw/zinc/23/50/24/231235024.db2.gz DYVZGGVCZBORTM-SFHVURJKSA-N 1 0 381.524 3.451 50 0 GGAARO CO[C@]12CC[N@H+](Cc3c(C)nn(C)c3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426442692 231222555 /nfs/dbraw/zinc/22/25/55/231222555.db2.gz QREWGWQEOIJHAD-RIFZZMRRSA-N 1 0 390.915 3.368 50 0 GGAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-c3ccc4ncccc4c3)cc2)C1 ZINC000426465402 231223019 /nfs/dbraw/zinc/22/30/19/231223019.db2.gz CDDXTNIQPXHVKZ-HSZRJFAPSA-N 1 0 375.472 3.040 50 0 GGAARO Cc1nnc(-c2ccc(-c3ccc(C(=O)N(C)[C@H]4CC[N@H+](C)C4)cc3)cc2)o1 ZINC000426693704 231253216 /nfs/dbraw/zinc/25/32/16/231253216.db2.gz JKMPIMMTMXPSFE-FQEVSTJZSA-N 1 0 376.460 3.488 50 0 GGAARO Cc1cc2ccccc2n1CCNC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000426722371 231255524 /nfs/dbraw/zinc/25/55/24/231255524.db2.gz FDGXWXIUAJXVQX-UHFFFAOYSA-N 1 0 386.565 3.173 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[C@@H]([NH+](C)C)C4)csc3C2)nc1 ZINC000426503640 529642848 /nfs/dbraw/zinc/64/28/48/529642848.db2.gz YTLFDPGAWPSWET-GOSISDBHSA-N 1 0 398.576 3.040 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@@H]([NH3+])CC4)csc3C2)nc1 ZINC000426378011 529643727 /nfs/dbraw/zinc/64/37/27/529643727.db2.gz OVODHTWQJZNAIQ-QGZVFWFLSA-N 1 0 398.576 3.217 50 0 GGAARO C[N@H+](CCCNC(=O)N1Cc2cnc(-c3ccccc3)nc2C1)C1CCCC1 ZINC000426595100 529889975 /nfs/dbraw/zinc/88/99/75/529889975.db2.gz WAMJVJKCHCEISL-UHFFFAOYSA-N 1 0 379.508 3.433 50 0 GGAARO CN(CCSc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000426535621 529928973 /nfs/dbraw/zinc/92/89/73/529928973.db2.gz FABCGPADHNAEMD-UHFFFAOYSA-N 1 0 384.549 3.480 50 0 GGAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409415154 529966739 /nfs/dbraw/zinc/96/67/39/529966739.db2.gz VJPYQZQXTDYNTI-QAPCUYQASA-N 1 0 380.492 3.306 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCC1 ZINC000011873876 206226101 /nfs/dbraw/zinc/22/61/01/206226101.db2.gz QLCCMDYIWZBANX-KRWDZBQOSA-N 1 0 382.508 3.131 50 0 GGAARO COc1ccc(OC)c(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]n2)c1 ZINC000334160638 206254239 /nfs/dbraw/zinc/25/42/39/206254239.db2.gz JEDHFMAFNADSEX-FOIQADDNSA-N 1 0 398.507 3.088 50 0 GGAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1cccc(Cl)c1 ZINC000023363064 206252482 /nfs/dbraw/zinc/25/24/82/206252482.db2.gz JBVAVUDQFKWGFM-YADHBBJMSA-N 1 0 397.950 3.176 50 0 GGAARO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000245238673 206282083 /nfs/dbraw/zinc/28/20/83/206282083.db2.gz YHOMBZDWEQPAKY-UZLBHIALSA-N 1 0 385.508 3.349 50 0 GGAARO 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 206281350 /nfs/dbraw/zinc/28/13/50/206281350.db2.gz GYOGHROCTSEKDY-POPISBIWSA-N 1 0 375.509 3.015 50 0 biogenic GGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC[C@H]2CCCO2)nc1 ZINC000253472438 206283003 /nfs/dbraw/zinc/28/30/03/206283003.db2.gz MGAFSEYMAMOFKS-OAQYLSRUSA-N 1 0 395.503 3.034 50 0 GGAARO COc1cccc(-c2cc3n(n2)[C@H]([NH2+]CCc2ccc(Cl)cc2)CNC3=O)c1 ZINC000263617413 206288844 /nfs/dbraw/zinc/28/88/44/206288844.db2.gz NRBVVNWSFICGAG-FQEVSTJZSA-N 1 0 396.878 3.286 50 0 GGAARO COc1ccc(-c2cc3n(n2)[C@H]([NH2+]CCCc2ccccc2)CNC3=O)cc1 ZINC000263616251 206288994 /nfs/dbraw/zinc/28/89/94/206288994.db2.gz HTMDENPGTNJXSP-NRFANRHFSA-N 1 0 376.460 3.023 50 0 GGAARO CCc1cc2c(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2cc1O ZINC000020547352 206296549 /nfs/dbraw/zinc/29/65/49/206296549.db2.gz GHGBUVFGWVYFOX-UHFFFAOYSA-N 1 0 378.472 3.379 50 0 GGAARO COc1ccc(-c2cc3ccc(OCCN4CC[NH+](C)CC4)cc3oc2=O)cc1 ZINC000020573417 206296700 /nfs/dbraw/zinc/29/67/00/206296700.db2.gz VKPMCGOZZOIYLI-UHFFFAOYSA-N 1 0 394.471 3.095 50 0 GGAARO O=c1cc(CN2CC[NH+](CCc3ccccn3)CC2)c2cc3c(cc2o1)CCC3 ZINC000020744469 206296945 /nfs/dbraw/zinc/29/69/45/206296945.db2.gz IVESMBPPJVBPTH-UHFFFAOYSA-N 1 0 389.499 3.037 50 0 GGAARO Cc1cc(C)c2c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1 ZINC000023127126 206299030 /nfs/dbraw/zinc/29/90/30/206299030.db2.gz VEZJGYLSHJNESB-SJORKVTESA-N 1 0 376.456 3.191 50 0 biogenic GGAARO Cc1cc(C)c2oc(=O)cc(CN3CC[NH+](CCc4ccncc4)CC3)c2c1 ZINC000020728059 206297054 /nfs/dbraw/zinc/29/70/54/206297054.db2.gz KXUGSTJHIZCLOX-UHFFFAOYSA-N 1 0 377.488 3.165 50 0 GGAARO Cc1cc(C)c2oc(=O)cc(CN3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC000020744566 206297313 /nfs/dbraw/zinc/29/73/13/206297313.db2.gz PXHCHGACNKSBBM-UHFFFAOYSA-N 1 0 377.488 3.165 50 0 GGAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(OC)cc2F)cc1 ZINC000000622824 206307807 /nfs/dbraw/zinc/30/78/07/206307807.db2.gz BRYNPUZCYVHMOL-JOCHJYFZSA-N 1 0 385.459 3.493 50 0 GGAARO CCOc1ccc(-n2nc3c(c2C)c(C)nn(CC[NH+]2CCCCC2)c3=O)cc1 ZINC000000642657 206312143 /nfs/dbraw/zinc/31/21/43/206312143.db2.gz VNFULSHVENLOSX-UHFFFAOYSA-N 1 0 395.507 3.084 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccncc1)N(CCC[NH+](C)C)C3=O ZINC000009328313 206320977 /nfs/dbraw/zinc/32/09/77/206320977.db2.gz PXJBQFMHKZHMDR-FQEVSTJZSA-N 1 0 391.471 3.302 50 0 GGAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000000789790 206321582 /nfs/dbraw/zinc/32/15/82/206321582.db2.gz SOUYMHZMGBQLRO-TZIWHRDSSA-N 1 0 380.488 3.446 50 0 GGAARO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1O ZINC000000819293 206323702 /nfs/dbraw/zinc/32/37/02/206323702.db2.gz HXPGVRVJHQYZMR-UHFFFAOYSA-N 1 0 398.503 3.246 50 0 GGAARO COc1ccc(C(=O)N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000000872224 206330691 /nfs/dbraw/zinc/33/06/91/206330691.db2.gz YUBMEPKODQZEIV-UHFFFAOYSA-N 1 0 393.531 3.118 50 0 GGAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000000910253 206333319 /nfs/dbraw/zinc/33/33/19/206333319.db2.gz VXQCFYVSUXZUTE-IBGZPJMESA-N 1 0 386.499 3.373 50 0 GGAARO CC(=O)c1ccc(NC(=O)c2ccc(CSc3nc(N)cc(N)[nH+]3)cc2)cc1 ZINC000001114903 206355231 /nfs/dbraw/zinc/35/52/31/206355231.db2.gz IJGMDQSKWPYICX-UHFFFAOYSA-N 1 0 393.472 3.388 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1F)c1cccc2ccccc21 ZINC000010333595 206383892 /nfs/dbraw/zinc/38/38/92/206383892.db2.gz DYYJAQGVUZOLCJ-FQEVSTJZSA-N 1 0 379.435 3.337 50 0 GGAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c2ccccc2n1 ZINC000010332732 206384524 /nfs/dbraw/zinc/38/45/24/206384524.db2.gz VTIGYLPWJHPCFY-HXUWFJFHSA-N 1 0 394.450 3.040 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1F)c1cccc2ccccc21 ZINC000010333598 206384741 /nfs/dbraw/zinc/38/47/41/206384741.db2.gz DYYJAQGVUZOLCJ-HXUWFJFHSA-N 1 0 379.435 3.337 50 0 GGAARO CCCC[NH+]1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1 ZINC000001536586 206385333 /nfs/dbraw/zinc/38/53/33/206385333.db2.gz AOOSJYIINXVNHV-UHFFFAOYSA-N 1 0 382.888 3.362 50 0 in-vitro GGAARO CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000001163286 206362310 /nfs/dbraw/zinc/36/23/10/206362310.db2.gz UXOKYRMKTXJZEN-RQNDZEIBSA-N 1 0 399.472 3.477 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2cccc(C)c2)c1=N ZINC000001242628 206370834 /nfs/dbraw/zinc/37/08/34/206370834.db2.gz IJGSXXQMYBXCHB-IBGZPJMESA-N 1 0 396.535 3.012 50 0 GGAARO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCCOc2ccc(Br)cc2)C1 ZINC000002082547 206398373 /nfs/dbraw/zinc/39/83/73/206398373.db2.gz CYYQCICIVGWIRA-ZOBUZTSGSA-N 1 0 386.330 3.183 50 0 GGAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002198838 206401636 /nfs/dbraw/zinc/40/16/36/206401636.db2.gz YTHLYXPBUCXYRK-ZIAGYGMSSA-N 1 0 387.480 3.270 50 0 GGAARO C[NH+](C)CCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000002461951 206417626 /nfs/dbraw/zinc/41/76/26/206417626.db2.gz PNLUPCFFNSNUEG-CYVLTUHYSA-N 1 0 385.895 3.179 50 0 GGAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3ccc4c(c3)OCCO4)C2)c1C ZINC000002966260 206449317 /nfs/dbraw/zinc/44/93/17/206449317.db2.gz ILCSUBPPZBDSCJ-QHCPKHFHSA-N 1 0 379.480 3.335 50 0 GGAARO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C ZINC000003964325 206497079 /nfs/dbraw/zinc/49/70/79/206497079.db2.gz WINHZLLDWRZWRT-ATVHPVEESA-N 1 0 398.482 3.335 50 0 fda GGAARO Cn1c(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)nc2ccccc21 ZINC000011935057 206843095 /nfs/dbraw/zinc/84/30/95/206843095.db2.gz OJNCWBPRXBJBHK-UHFFFAOYSA-N 1 0 391.519 3.277 50 0 GGAARO Cc1cc(C)cc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 ZINC000012038768 206850616 /nfs/dbraw/zinc/85/06/16/206850616.db2.gz WEPSVKGBCMQJCI-RTWAWAEBSA-N 1 0 386.536 3.112 50 0 GGAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000012433670 206897074 /nfs/dbraw/zinc/89/70/74/206897074.db2.gz NKNWHBPMRIREAQ-MRXNPFEDSA-N 1 0 379.416 3.125 50 0 GGAARO CCN(CC[NH+](CC)CC)C(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000012701633 206925241 /nfs/dbraw/zinc/92/52/41/206925241.db2.gz MUQCMBXMCZNKOL-UHFFFAOYSA-N 1 0 387.480 3.260 50 0 GGAARO C[C@]1(COc2ccc(-c3nc(COc4ccccc4)no3)cn2)CCC[NH2+]C1 ZINC000012706917 206926193 /nfs/dbraw/zinc/92/61/93/206926193.db2.gz JHEVLUUGZPLDIA-NRFANRHFSA-N 1 0 380.448 3.479 50 0 GGAARO O=C(CCC1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1)N1CCOCC1 ZINC000012718435 206927267 /nfs/dbraw/zinc/92/72/67/206927267.db2.gz HVJCHLTWLJSWQG-UHFFFAOYSA-N 1 0 399.579 3.002 50 0 GGAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C3CCOCC3)CC2)C1=O ZINC000014531090 207022593 /nfs/dbraw/zinc/02/25/93/207022593.db2.gz FQKRBTHDWOSBFQ-UHFFFAOYSA-N 1 0 399.535 3.120 50 0 GGAARO COc1cc(CO[C@@H]2CN(C(C)C)C(=O)C[N@@H+](C3CCCC3)C2)cc(OC)c1 ZINC000014538725 207022900 /nfs/dbraw/zinc/02/29/00/207022900.db2.gz YZXVIMWZSQEGMO-NRFANRHFSA-N 1 0 390.524 3.084 50 0 GGAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014538757 207023066 /nfs/dbraw/zinc/02/30/66/207023066.db2.gz MOVSOQHIVJDWLE-KRWDZBQOSA-N 1 0 381.586 3.293 50 0 GGAARO CC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014534344 207023249 /nfs/dbraw/zinc/02/32/49/207023249.db2.gz SWWVXUHVHCDFAJ-SFHVURJKSA-N 1 0 386.540 3.383 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC)c1)C2 ZINC000014536824 207023780 /nfs/dbraw/zinc/02/37/80/207023780.db2.gz VMSCTVIBIRZUBO-SFHVURJKSA-N 1 0 396.535 3.185 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)Cc1cccs1)C2 ZINC000014744482 207027249 /nfs/dbraw/zinc/02/72/49/207027249.db2.gz FKOSOHIMDVYQSS-INIZCTEOSA-N 1 0 386.565 3.487 50 0 GGAARO Cc1ccccc1C[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014744898 207027391 /nfs/dbraw/zinc/02/73/91/207027391.db2.gz LOCUPOCBFNWOSO-GOSISDBHSA-N 1 0 392.503 3.241 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CCCCCC1)C2 ZINC000014742459 207027888 /nfs/dbraw/zinc/02/78/88/207027888.db2.gz MZQCNMOFDRLCEZ-KRWDZBQOSA-N 1 0 390.597 3.262 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC000014743386 207027945 /nfs/dbraw/zinc/02/79/45/207027945.db2.gz XLXODMNVXLHDNV-GOSISDBHSA-N 1 0 398.526 3.358 50 0 GGAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](C(C)C)CC3)C2=O)cc1 ZINC000014742616 207027986 /nfs/dbraw/zinc/02/79/86/207027986.db2.gz XYYUWBQSNGFZJE-UHFFFAOYSA-N 1 0 387.524 3.358 50 0 GGAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H]([NH2+]C1CCCCC1)CC2 ZINC000014742637 207028009 /nfs/dbraw/zinc/02/80/09/207028009.db2.gz NPBMXLWNPCDICJ-LJQANCHMSA-N 1 0 380.536 3.265 50 0 GGAARO Cc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1 ZINC000014744546 207028645 /nfs/dbraw/zinc/02/86/45/207028645.db2.gz FOLFTVRQCSYSHU-GOSISDBHSA-N 1 0 392.503 3.241 50 0 GGAARO Cc1cc(C[N@@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3CC(C)C)C2)on1 ZINC000014747280 207029118 /nfs/dbraw/zinc/02/91/18/207029118.db2.gz MJEGRINONSRQOQ-QGZVFWFLSA-N 1 0 399.539 3.061 50 0 GGAARO Cn1nc(C(=O)NCc2ccccc2)c2c1CC[N@H+](CCCc1ccccc1)C2 ZINC000014540013 207024083 /nfs/dbraw/zinc/02/40/83/207024083.db2.gz UVQMYKIPRRDEOB-UHFFFAOYSA-N 1 0 388.515 3.341 50 0 GGAARO C[NH+]1CCC(C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)CC1 ZINC000014882604 207031036 /nfs/dbraw/zinc/03/10/36/207031036.db2.gz KIFZXVYKHXFVRU-SFHVURJKSA-N 1 0 385.895 3.164 50 0 GGAARO COc1ccc(/C=C/C[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 ZINC000015006672 207040694 /nfs/dbraw/zinc/04/06/94/207040694.db2.gz WDZGBQAJAPYHIU-SNAWJCMRSA-N 1 0 397.523 3.023 50 0 GGAARO COc1ccc(-n2cc(C[NH2+]C[C@@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000014955629 207032123 /nfs/dbraw/zinc/03/21/23/207032123.db2.gz ITFWVGGESGHTHQ-OAQYLSRUSA-N 1 0 397.450 3.192 50 0 GGAARO C=Cc1ccc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](CCOC)CC2)cc1 ZINC000014958587 207032523 /nfs/dbraw/zinc/03/25/23/207032523.db2.gz QNZBGBSXHLQCDY-QFIPXVFZSA-N 1 0 386.536 3.309 50 0 GGAARO COc1ccc(-n2cc(C[NH2+]C[C@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000014955633 207032950 /nfs/dbraw/zinc/03/29/50/207032950.db2.gz ITFWVGGESGHTHQ-NRFANRHFSA-N 1 0 397.450 3.192 50 0 GGAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](C[C@H]4CCOC4)CC3)c2)s1 ZINC000014969850 207034416 /nfs/dbraw/zinc/03/44/16/207034416.db2.gz QFBVJIBAMPWETD-OAHLLOKOSA-N 1 0 386.521 3.201 50 0 GGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000014965378 207034423 /nfs/dbraw/zinc/03/44/23/207034423.db2.gz JBDMFMGUGZQDOX-INIZCTEOSA-N 1 0 390.549 3.280 50 0 GGAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1)N1CCOCC1 ZINC000014969558 207034959 /nfs/dbraw/zinc/03/49/59/207034959.db2.gz GIPSBSRYXKTEIY-MRXNPFEDSA-N 1 0 382.451 3.139 50 0 GGAARO C=Cc1ccc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](CCOC)CC2)cc1 ZINC000014958591 207035338 /nfs/dbraw/zinc/03/53/38/207035338.db2.gz QNZBGBSXHLQCDY-JOCHJYFZSA-N 1 0 386.536 3.309 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000014964175 207035357 /nfs/dbraw/zinc/03/53/57/207035357.db2.gz HFPLCSQVYPXDEF-IBGZPJMESA-N 1 0 382.504 3.411 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(C)c(OC)cc3C)C2)nn1 ZINC000014959205 207035369 /nfs/dbraw/zinc/03/53/69/207035369.db2.gz LDRLJKXJUJHREF-IBGZPJMESA-N 1 0 399.539 3.223 50 0 GGAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000014962650 207035486 /nfs/dbraw/zinc/03/54/86/207035486.db2.gz NGHDKLYSESGYFX-OAQYLSRUSA-N 1 0 397.563 3.196 50 0 GGAARO C/C(=C\c1ccco1)CN1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000014965726 207035558 /nfs/dbraw/zinc/03/55/58/207035558.db2.gz BPSLSVRVOKVMNR-HTXNQAPBSA-N 1 0 385.552 3.482 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CCc2cccs2)CC1 ZINC000014967864 207035659 /nfs/dbraw/zinc/03/56/59/207035659.db2.gz JNDDGMFFASXMPD-LJQANCHMSA-N 1 0 394.581 3.047 50 0 GGAARO COc1ccccc1/C=C/C[NH+]1CCC(CCC(=O)NC[C@H]2CCCO2)CC1 ZINC000014964388 207035880 /nfs/dbraw/zinc/03/58/80/207035880.db2.gz RJBBHUGOISYZRJ-HXRGIAOBSA-N 1 0 386.536 3.496 50 0 GGAARO CN(C(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014970679 207035920 /nfs/dbraw/zinc/03/59/20/207035920.db2.gz ZTDHTQQHXMATJY-FQEVSTJZSA-N 1 0 380.488 3.237 50 0 GGAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccc(C)s3)CC2)c1 ZINC000014973085 207036062 /nfs/dbraw/zinc/03/60/62/207036062.db2.gz JRBAFZUERQPYRX-UHFFFAOYSA-N 1 0 388.533 3.476 50 0 GGAARO COC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000014979016 207036273 /nfs/dbraw/zinc/03/62/73/207036273.db2.gz SEFKOBOWVPSWNN-KRWDZBQOSA-N 1 0 380.916 3.006 50 0 GGAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH+]3CCOCC3)CC2)cc1)c1ccccc1 ZINC000014974351 207037046 /nfs/dbraw/zinc/03/70/46/207037046.db2.gz BOQCQOBSADTEOU-LJQANCHMSA-N 1 0 393.531 3.479 50 0 GGAARO COC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000014973917 207037373 /nfs/dbraw/zinc/03/73/73/207037373.db2.gz CWQKUYMZUTUXQQ-AWEZNQCLSA-N 1 0 376.888 3.461 50 0 GGAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cn1 ZINC000014978401 207037776 /nfs/dbraw/zinc/03/77/76/207037776.db2.gz BOJYSIQANCUBSU-UHFFFAOYSA-N 1 0 392.507 3.497 50 0 GGAARO COc1ccc2cc(C[NH+]3CCN(c4ccccc4F)CC3)c(=O)n(C)c2c1 ZINC000014986636 207038260 /nfs/dbraw/zinc/03/82/60/207038260.db2.gz LZFQYDQNZUMYJL-UHFFFAOYSA-N 1 0 381.451 3.008 50 0 GGAARO CN(C(=O)C[NH+](C)C)[C@@H](Cc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000014996485 207040898 /nfs/dbraw/zinc/04/08/98/207040898.db2.gz QHHREZSDFAMBQX-QFIPXVFZSA-N 1 0 399.579 3.047 50 0 GGAARO Cc1ccsc1C[N@H+]1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000014986649 207038687 /nfs/dbraw/zinc/03/86/87/207038687.db2.gz DKPKUMXJCBLXLA-INIZCTEOSA-N 1 0 375.542 3.231 50 0 GGAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccco2)CC1 ZINC000014992736 207038756 /nfs/dbraw/zinc/03/87/56/207038756.db2.gz FWZBWJCNSBSXCV-MRXNPFEDSA-N 1 0 384.505 3.216 50 0 GGAARO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000014991677 207038954 /nfs/dbraw/zinc/03/89/54/207038954.db2.gz RKXKESIRDPGCBD-UHFFFAOYSA-N 1 0 381.398 3.166 50 0 GGAARO Cc1cc(C)n(CC[NH2+]C2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)n1 ZINC000014995841 207039200 /nfs/dbraw/zinc/03/92/00/207039200.db2.gz JEVMWADQPKUPPJ-UHFFFAOYSA-N 1 0 381.524 3.107 50 0 GGAARO CSCCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000014981525 207039319 /nfs/dbraw/zinc/03/93/19/207039319.db2.gz QGHWJTDYJRPQQP-SFHVURJKSA-N 1 0 381.973 3.206 50 0 GGAARO CC(C)OCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000015005501 207040365 /nfs/dbraw/zinc/04/03/65/207040365.db2.gz YWAFHHKWSOEWDF-MRXNPFEDSA-N 1 0 396.915 3.355 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc4cccnc4c3)C2)nn1 ZINC000015003493 207040483 /nfs/dbraw/zinc/04/04/83/207040483.db2.gz KYJBGJPAAUYXQF-IBGZPJMESA-N 1 0 392.507 3.145 50 0 GGAARO CCOCCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014749230 207029794 /nfs/dbraw/zinc/02/97/94/207029794.db2.gz CHQICPQGFJAYPJ-GOSISDBHSA-N 1 0 390.572 3.039 50 0 GGAARO COc1cc(C(=O)N2CCc3ccccc3C2)ccc1OC1CC[NH+](C)CC1 ZINC000015079552 207046041 /nfs/dbraw/zinc/04/60/41/207046041.db2.gz UVCZCJAEWOYOSU-UHFFFAOYSA-N 1 0 380.488 3.367 50 0 GGAARO COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1N1CCC[C@@H](O)C1 ZINC000015075983 207046154 /nfs/dbraw/zinc/04/61/54/207046154.db2.gz GDEJWHLQGIDIAM-LJQANCHMSA-N 1 0 377.488 3.494 50 0 GGAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@@H](CCC(=O)N4CCOCC4)C3)CC2)c1 ZINC000015076918 207046987 /nfs/dbraw/zinc/04/69/87/207046987.db2.gz WETQFOXHPHRTDX-NRFANRHFSA-N 1 0 399.579 3.315 50 0 GGAARO Cc1nnsc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000015064770 207041827 /nfs/dbraw/zinc/04/18/27/207041827.db2.gz BEVJXVCRFSDPAX-GOSISDBHSA-N 1 0 392.569 3.122 50 0 GGAARO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)c(=O)[nH]1 ZINC000015065629 207042103 /nfs/dbraw/zinc/04/21/03/207042103.db2.gz BUQUHMKVNFMACB-HSZRJFAPSA-N 1 0 397.494 3.259 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015067562 207042279 /nfs/dbraw/zinc/04/22/79/207042279.db2.gz FDCXQQJKDKLVBG-OAQYLSRUSA-N 1 0 382.552 3.183 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)o1 ZINC000015067620 207042562 /nfs/dbraw/zinc/04/25/62/207042562.db2.gz NBKIHIPCUAFMSP-QGZVFWFLSA-N 1 0 394.475 3.462 50 0 GGAARO CC(C)[NH+]1CCC(CNC(=O)c2coc(COc3cccc(F)c3F)n2)CC1 ZINC000015064190 207042573 /nfs/dbraw/zinc/04/25/73/207042573.db2.gz ANQHBAJIDDYWJL-UHFFFAOYSA-N 1 0 393.434 3.382 50 0 GGAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000015066119 207043035 /nfs/dbraw/zinc/04/30/35/207043035.db2.gz GKBNFBFOIFZKCN-UHFFFAOYSA-N 1 0 392.547 3.074 50 0 GGAARO Cc1cccc(-n2cc(C[NH2+]C[C@H]3COCCO3)c(-c3cccc(F)c3)n2)c1 ZINC000015064436 207043389 /nfs/dbraw/zinc/04/33/89/207043389.db2.gz YROAKTBVIPIJJV-NRFANRHFSA-N 1 0 381.451 3.492 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCSC)C3)C2)c1OC ZINC000015073618 207044066 /nfs/dbraw/zinc/04/40/66/207044066.db2.gz LSFQBGCBFOXNIF-OAQYLSRUSA-N 1 0 392.565 3.271 50 0 GGAARO CC(C)CNC(=O)c1cn(C2CC[NH+]([C@H](C)Cc3ccccc3F)CC2)nn1 ZINC000015071575 207044131 /nfs/dbraw/zinc/04/41/31/207044131.db2.gz LVOFVFAGDXTAFG-MRXNPFEDSA-N 1 0 387.503 3.071 50 0 GGAARO Cc1c(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cnn1C ZINC000015072958 207044467 /nfs/dbraw/zinc/04/44/67/207044467.db2.gz PHEIUSCNQWYTIG-UHFFFAOYSA-N 1 0 396.470 3.154 50 0 GGAARO CC(C)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000015070166 207044477 /nfs/dbraw/zinc/04/44/77/207044477.db2.gz ZMQNUSPRLQKMLY-KRWDZBQOSA-N 1 0 384.524 3.281 50 0 GGAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](CCCn2cccn2)CC1 ZINC000015073746 207044575 /nfs/dbraw/zinc/04/45/75/207044575.db2.gz SCCZCTFPURIHAZ-UHFFFAOYSA-N 1 0 378.480 3.014 50 0 GGAARO Cc1nonc1[C@H]1CCCN1C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000015072122 207044578 /nfs/dbraw/zinc/04/45/78/207044578.db2.gz PHNYQBCZRSPQSL-LJQANCHMSA-N 1 0 380.492 3.065 50 0 GGAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CCCn4cccn4)CC3)on2)c1 ZINC000015073077 207044800 /nfs/dbraw/zinc/04/48/00/207044800.db2.gz OYVFKNDZTWJIOW-UHFFFAOYSA-N 1 0 396.491 3.006 50 0 GGAARO CC[NH+](CC)CCNc1cc(C)nc2cc(-c3ccc(OC)c(OC)c3)nn21 ZINC000015670887 207054863 /nfs/dbraw/zinc/05/48/63/207054863.db2.gz GZAXZFUAKBQGSO-UHFFFAOYSA-N 1 0 383.496 3.476 50 0 GGAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](C)[NH2+][C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000015972541 207069588 /nfs/dbraw/zinc/06/95/88/207069588.db2.gz IDUXNWJPOZVGBU-LQGCGHSZSA-N 1 0 385.851 3.133 50 0 GGAARO O=S(=O)(c1ccc(F)c(F)c1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017081057 207085472 /nfs/dbraw/zinc/08/54/72/207085472.db2.gz LXDWQQXOMQRRJD-UHFFFAOYSA-N 1 0 396.503 3.240 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000017052496 207082009 /nfs/dbraw/zinc/08/20/09/207082009.db2.gz UJOTXSIQVZAXOI-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO O=C(NC1CCCCC1)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000017057845 207082701 /nfs/dbraw/zinc/08/27/01/207082701.db2.gz LBOJVXYZSLQQDI-RWWKDMOOSA-N 1 0 397.563 3.072 50 0 GGAARO CCN(CC)c1ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=[NH2+])oc2c1 ZINC000017080358 207083511 /nfs/dbraw/zinc/08/35/11/207083511.db2.gz YTWIKEFTHDDDMT-UHFFFAOYSA-N 1 0 393.443 3.417 50 0 GGAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1 ZINC000018046429 207092290 /nfs/dbraw/zinc/09/22/90/207092290.db2.gz STASOTSUDMKHKB-WVKNIADZSA-N 1 0 386.536 3.153 50 0 GGAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000018223089 207097398 /nfs/dbraw/zinc/09/73/98/207097398.db2.gz GQDLBMHBPHUQJG-GOSISDBHSA-N 1 0 385.826 3.425 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccccc1N(C)C ZINC000019226679 207110047 /nfs/dbraw/zinc/11/00/47/207110047.db2.gz GCPSPEKLNNRKKB-UHFFFAOYSA-N 1 0 386.584 3.021 50 0 GGAARO CCn1cc(-c2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)c3ccc(F)cc3n2)cn1 ZINC000019113332 207103181 /nfs/dbraw/zinc/10/31/81/207103181.db2.gz ODQRXUWVIGWCIZ-KRWDZBQOSA-N 1 0 395.482 3.424 50 0 GGAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)n1 ZINC000019144114 207103799 /nfs/dbraw/zinc/10/37/99/207103799.db2.gz RNTGHLNXACSPGP-SFHVURJKSA-N 1 0 382.508 3.176 50 0 GGAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](C[C@H]4CCOC4)CC3)cc2)n1 ZINC000019144118 207105207 /nfs/dbraw/zinc/10/52/07/207105207.db2.gz RNTGHLNXACSPGP-GOSISDBHSA-N 1 0 382.508 3.176 50 0 GGAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000019148293 207106499 /nfs/dbraw/zinc/10/64/99/207106499.db2.gz VBZLGURSRRVMIK-GOSISDBHSA-N 1 0 392.503 3.415 50 0 GGAARO CCOc1cc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)ccc1O ZINC000019300607 207115127 /nfs/dbraw/zinc/11/51/27/207115127.db2.gz SSEWOKYLQLVQBH-UHFFFAOYSA-N 1 0 392.503 3.226 50 0 GGAARO COc1ccc(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019361393 207118932 /nfs/dbraw/zinc/11/89/32/207118932.db2.gz CNYDEGWAAROCKF-VMPITWQZSA-N 1 0 379.504 3.355 50 0 GGAARO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000019550255 207130849 /nfs/dbraw/zinc/13/08/49/207130849.db2.gz OLYZPQGCYRWMJC-UHFFFAOYSA-N 1 0 390.911 3.349 50 0 GGAARO OCC[C@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)CCN1Cc1ccsc1 ZINC000019641359 207143415 /nfs/dbraw/zinc/14/34/15/207143415.db2.gz SFMCGLYURHAMJB-NRFANRHFSA-N 1 0 382.533 3.003 50 0 GGAARO OCC[C@@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1CCc1ccccc1 ZINC000019594796 207144479 /nfs/dbraw/zinc/14/44/79/207144479.db2.gz OPSKGFSTYBPROM-HSZRJFAPSA-N 1 0 375.516 3.346 50 0 GGAARO CN1CCN([C@@H]2CC[N@H+](Cc3cccc4c5ccccc5sc43)C[C@H]2O)CC1 ZINC000019742866 207157321 /nfs/dbraw/zinc/15/73/21/207157321.db2.gz OSXSRODUWYIUMN-NHCUHLMSSA-N 1 0 395.572 3.237 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000019741783 207158160 /nfs/dbraw/zinc/15/81/60/207158160.db2.gz SEUOSQLNDFAJHS-CRTIWDKESA-N 1 0 389.559 3.080 50 0 GGAARO COc1ccc(CN2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)c(Cl)c1OC ZINC000019838570 207166437 /nfs/dbraw/zinc/16/64/37/207166437.db2.gz NOXNXBAMWDNAQK-KRWDZBQOSA-N 1 0 382.932 3.192 50 0 GGAARO COc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)ccc1O ZINC000019839957 207166454 /nfs/dbraw/zinc/16/64/54/207166454.db2.gz URHGQQNNOYDIEY-NRFANRHFSA-N 1 0 395.547 3.496 50 0 GGAARO Cc1ncc2c(c1-c1noc(CCc3nc4ccccc4s3)n1)CC[NH2+]C2 ZINC000019867491 207167441 /nfs/dbraw/zinc/16/74/41/207167441.db2.gz UGBGYFPHYUGYCK-UHFFFAOYSA-N 1 0 377.473 3.481 50 0 GGAARO COc1cccc(C[NH2+]CCN2CCOCC2)c1OCc1ccc(Cl)cc1 ZINC000019872250 207168130 /nfs/dbraw/zinc/16/81/30/207168130.db2.gz UEQKZYVJIVTMHF-UHFFFAOYSA-N 1 0 390.911 3.349 50 0 GGAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCN2CCOCC2)o1 ZINC000019872365 207168359 /nfs/dbraw/zinc/16/83/59/207168359.db2.gz QIBWGOOACMPILA-UHFFFAOYSA-N 1 0 379.298 3.439 50 0 GGAARO COc1cc(CN2CC[NH+](CCCc3ccccc3)CC2)cc(OC)c1OC ZINC000019889646 207168392 /nfs/dbraw/zinc/16/83/92/207168392.db2.gz GWDXNIXENNDVJT-UHFFFAOYSA-N 1 0 384.520 3.463 50 0 GGAARO CC(C)C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1CCO ZINC000019866439 207168628 /nfs/dbraw/zinc/16/86/28/207168628.db2.gz WHCAINUQMRSXMV-IBGZPJMESA-N 1 0 376.932 3.255 50 0 GGAARO COc1cccc(N2CC[NH+](Cc3ccc(-c4nc(C)cc(=O)[nH]4)cc3)CC2)c1 ZINC000019770589 207162000 /nfs/dbraw/zinc/16/20/00/207162000.db2.gz WDZCPCMOGJLSNN-UHFFFAOYSA-N 1 0 390.487 3.076 50 0 GGAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000019800403 207162484 /nfs/dbraw/zinc/16/24/84/207162484.db2.gz IAPOTTMVOZVGLR-JOCHJYFZSA-N 1 0 377.532 3.437 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000019812310 207162756 /nfs/dbraw/zinc/16/27/56/207162756.db2.gz WZODJHLNWMZCJX-HXUWFJFHSA-N 1 0 387.499 3.352 50 0 GGAARO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000019792797 207163113 /nfs/dbraw/zinc/16/31/13/207163113.db2.gz WFKPEXMWZVRGFF-OAQYLSRUSA-N 1 0 394.494 3.080 50 0 GGAARO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000019836458 207164267 /nfs/dbraw/zinc/16/42/67/207164267.db2.gz LWAOAGBIVNDVAD-IBGZPJMESA-N 1 0 391.650 3.430 50 0 GGAARO COc1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019831770 207165134 /nfs/dbraw/zinc/16/51/34/207165134.db2.gz XMWXKEGTVQBNAR-UHFFFAOYSA-N 1 0 379.548 3.477 50 0 GGAARO COc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)ccc1O ZINC000019839955 207165682 /nfs/dbraw/zinc/16/56/82/207165682.db2.gz URHGQQNNOYDIEY-OAQYLSRUSA-N 1 0 395.547 3.496 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=N ZINC000020069487 207175971 /nfs/dbraw/zinc/17/59/71/207175971.db2.gz OSAMZMKWGPONSD-UHFFFAOYSA-N 1 0 382.508 3.352 50 0 GGAARO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000020109525 207176839 /nfs/dbraw/zinc/17/68/39/207176839.db2.gz XTJWENQAHNVXAQ-KRWDZBQOSA-N 1 0 395.613 3.261 50 0 GGAARO O[C@H](COc1ccc2c(c1)CCC2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020109737 207177517 /nfs/dbraw/zinc/17/75/17/207177517.db2.gz UUTMSTNEGIYFBI-NRFANRHFSA-N 1 0 386.923 3.391 50 0 GGAARO CC(C)COc1ccc(C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000019902172 207169658 /nfs/dbraw/zinc/16/96/58/207169658.db2.gz JHFKJIRIXVWGMF-UHFFFAOYSA-N 1 0 387.568 3.402 50 0 GGAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCN(c3ccccc3)CC1)c(C)n2C ZINC000019939950 207170971 /nfs/dbraw/zinc/17/09/71/207170971.db2.gz UGGCMRAZWWDCOS-JOCHJYFZSA-N 1 0 379.504 3.351 50 0 GGAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCN(c3ccccc3F)CC1)c(C)n2C ZINC000019939634 207171656 /nfs/dbraw/zinc/17/16/56/207171656.db2.gz XQXCWJYUGYADLT-JOCHJYFZSA-N 1 0 397.494 3.490 50 0 GGAARO CC(C)Cc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)[nH]n1 ZINC000019939104 207171675 /nfs/dbraw/zinc/17/16/75/207171675.db2.gz ONPBRVXMZURLJQ-HSZRJFAPSA-N 1 0 381.568 3.395 50 0 GGAARO CCOC(=O)[C@]1(Cc2ccccc2)c2ccccc2N(CC[NH+](CC)CC)C1=O ZINC000020031771 207174107 /nfs/dbraw/zinc/17/41/07/207174107.db2.gz VDXUPTLZAMQCQN-XMMPIXPASA-N 1 0 394.515 3.419 50 0 GGAARO CCOC(=O)[C@@]1(Cc2ccccc2)c2ccccc2N(CC[NH+](CC)CC)C1=O ZINC000020031774 207174450 /nfs/dbraw/zinc/17/44/50/207174450.db2.gz VDXUPTLZAMQCQN-DEOSSOPVSA-N 1 0 394.515 3.419 50 0 GGAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)CC1 ZINC000020385434 207189722 /nfs/dbraw/zinc/18/97/22/207189722.db2.gz UDINBMFMNDCRSG-SFHVURJKSA-N 1 0 395.482 3.149 50 0 GGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1C ZINC000020203926 207181274 /nfs/dbraw/zinc/18/12/74/207181274.db2.gz AWQOJPLXXIKSGF-QFIPXVFZSA-N 1 0 399.558 3.446 50 0 GGAARO O=C1C[C@H]([NH2+]CCCc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000020171629 207181809 /nfs/dbraw/zinc/18/18/09/207181809.db2.gz DSJKTZMZUJHIPC-KRWDZBQOSA-N 1 0 387.277 3.303 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc3ncccc3c2)CC[N@@H+]1CCc1ccccc1 ZINC000020166348 207182860 /nfs/dbraw/zinc/18/28/60/207182860.db2.gz QUBSMJIQRVJNPZ-HSZRJFAPSA-N 1 0 375.516 3.346 50 0 GGAARO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000020177703 207183158 /nfs/dbraw/zinc/18/31/58/207183158.db2.gz IZRBDNGAECTBNW-UHFFFAOYSA-N 1 0 384.501 3.218 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020233085 207184448 /nfs/dbraw/zinc/18/44/48/207184448.db2.gz MIPDTBLYRUMMQK-NRFANRHFSA-N 1 0 395.547 3.490 50 0 GGAARO CCOCc1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000020234285 207185024 /nfs/dbraw/zinc/18/50/24/207185024.db2.gz QIIAUSXYTNPLJT-QFIPXVFZSA-N 1 0 390.568 3.433 50 0 GGAARO CCCCOc1ccccc1/C=C1/SC(=O)N(CN2CC[NH+](C)CC2)C1=O ZINC000020265953 207185737 /nfs/dbraw/zinc/18/57/37/207185737.db2.gz JNGQKACUXZFVRK-NBVRZTHBSA-N 1 0 389.521 3.107 50 0 GGAARO COc1cc(CN2CC[N@H+](CC3CCCCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000020390051 207189912 /nfs/dbraw/zinc/18/99/12/207189912.db2.gz NJWRFWNEIHPHTB-FQEVSTJZSA-N 1 0 376.541 3.153 50 0 GGAARO Cc1cccc(N2CCC([NH+]3CCC(n4cc(C[C@@H](C)O)nn4)CC3)CC2)c1C ZINC000020325338 207188636 /nfs/dbraw/zinc/18/86/36/207188636.db2.gz UDPUSVGCEGVDIG-GOSISDBHSA-N 1 0 397.567 3.124 50 0 GGAARO Cc1c(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)c2cc(O)ccc2n1C ZINC000020117988 207179332 /nfs/dbraw/zinc/17/93/32/207179332.db2.gz VPJJOKHLSZDJJG-UHFFFAOYSA-N 1 0 375.432 3.258 50 0 GGAARO Cc1cc(N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)nc(N(C)C)[nH+]1 ZINC000020136793 207179495 /nfs/dbraw/zinc/17/94/95/207179495.db2.gz HMAQTPLDQGGPOF-KRWDZBQOSA-N 1 0 399.514 3.303 50 0 GGAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1CCc1ccccc1 ZINC000020138285 207179518 /nfs/dbraw/zinc/17/95/18/207179518.db2.gz OOFBCAXWPYCHTR-HSZRJFAPSA-N 1 0 390.531 3.188 50 0 GGAARO CCOc1ccccc1OCCOCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020118442 207179627 /nfs/dbraw/zinc/17/96/27/207179627.db2.gz KHBXLWYPAHPKPS-UHFFFAOYSA-N 1 0 384.520 3.299 50 0 GGAARO Cn1cc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000020511960 207198570 /nfs/dbraw/zinc/19/85/70/207198570.db2.gz OUPUPDXGBVQKHK-QFIPXVFZSA-N 1 0 377.532 3.290 50 0 GGAARO CCN1CC[NH+](CCCCOc2ccc(I)cc2)CC1 ZINC000020406252 207191147 /nfs/dbraw/zinc/19/11/47/207191147.db2.gz KCEOKTRSFRYNLL-UHFFFAOYSA-N 1 0 388.293 3.088 50 0 GGAARO c1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000020451201 207192923 /nfs/dbraw/zinc/19/29/23/207192923.db2.gz FRHDJERVPYBVRP-JOCHJYFZSA-N 1 0 393.531 3.244 50 0 GGAARO c1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000020451203 207193031 /nfs/dbraw/zinc/19/30/31/207193031.db2.gz FRHDJERVPYBVRP-QFIPXVFZSA-N 1 0 393.531 3.244 50 0 GGAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000020449764 207193223 /nfs/dbraw/zinc/19/32/23/207193223.db2.gz XRSBENWZTQCRQV-LJQANCHMSA-N 1 0 380.536 3.001 50 0 GGAARO OCC[C@@H]1C[N@H+](Cc2cccc3ncccc23)CCN1Cc1ccc(F)cc1 ZINC000020452972 207193755 /nfs/dbraw/zinc/19/37/55/207193755.db2.gz KIJIOHRLEOWHFY-OAQYLSRUSA-N 1 0 379.479 3.443 50 0 GGAARO COc1ccc(OC)c(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020455315 207195357 /nfs/dbraw/zinc/19/53/57/207195357.db2.gz IRASVPCZGURRLA-QFIPXVFZSA-N 1 0 398.547 3.205 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[N@@H+]1Cc1cccs1 ZINC000020481643 207196223 /nfs/dbraw/zinc/19/62/23/207196223.db2.gz HHPAVXBSVSUXSF-HXUWFJFHSA-N 1 0 382.533 3.003 50 0 GGAARO Cc1cc(I)ccc1OCCCC[NH+]1CCN(C)CC1 ZINC000020652530 207208625 /nfs/dbraw/zinc/20/86/25/207208625.db2.gz HMTAXPSPLFKQQI-UHFFFAOYSA-N 1 0 388.293 3.006 50 0 GGAARO COCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)[C@@H](C)c3ccncc3)cc2)n1 ZINC000020637048 207208686 /nfs/dbraw/zinc/20/86/86/207208686.db2.gz UMTOSSXYCXGVNQ-INIZCTEOSA-N 1 0 378.476 3.214 50 0 GGAARO Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n2ncnc2n1 ZINC000020503993 207199789 /nfs/dbraw/zinc/19/97/89/207199789.db2.gz QNPRRLGZANHGKP-UHFFFAOYSA-N 1 0 384.487 3.344 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(F)cc2)C1=O ZINC000020503868 207199833 /nfs/dbraw/zinc/19/98/33/207199833.db2.gz JAZMBBLHDCWETE-ISPGYRLHSA-N 1 0 393.462 3.428 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cc(C)c(O)c(C)c3)C[C@@H]2CCO)c1 ZINC000020534265 207200513 /nfs/dbraw/zinc/20/05/13/207200513.db2.gz QDDNVBJXENCYSP-NRFANRHFSA-N 1 0 384.520 3.086 50 0 GGAARO Cn1cc(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c2ccccc21 ZINC000020534135 207200705 /nfs/dbraw/zinc/20/07/05/207200705.db2.gz ATNKBFLDVDAFNI-FQEVSTJZSA-N 1 0 381.495 3.386 50 0 GGAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1Cc1cccs1 ZINC000020534459 207200971 /nfs/dbraw/zinc/20/09/71/207200971.db2.gz AJKNTCSFFAZSBR-IBGZPJMESA-N 1 0 382.533 3.207 50 0 GGAARO COc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537146 207201133 /nfs/dbraw/zinc/20/11/33/207201133.db2.gz AWIMQHAKEOOPSA-IBGZPJMESA-N 1 0 399.510 3.327 50 0 GGAARO OCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020539388 207201439 /nfs/dbraw/zinc/20/14/39/207201439.db2.gz DNOWFYJRSXIDCA-IBGZPJMESA-N 1 0 389.927 3.212 50 0 GGAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000020538902 207201653 /nfs/dbraw/zinc/20/16/53/207201653.db2.gz VWTRYPIDEXTHEY-JOCHJYFZSA-N 1 0 392.547 3.423 50 0 GGAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1cccs1 ZINC000020541600 207202814 /nfs/dbraw/zinc/20/28/14/207202814.db2.gz LARXACMFEMROEM-NRFANRHFSA-N 1 0 385.577 3.286 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1Cc1cccs1 ZINC000020542885 207202968 /nfs/dbraw/zinc/20/29/68/207202968.db2.gz JZHUNQZQRIGJHF-INIZCTEOSA-N 1 0 388.562 3.064 50 0 GGAARO CC(C)c1csc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)n1 ZINC000020543030 207203009 /nfs/dbraw/zinc/20/30/09/207203009.db2.gz HVHWVSYULVLTNU-IBGZPJMESA-N 1 0 394.629 3.008 50 0 GGAARO CCOc1cc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)ccc1O ZINC000020541861 207203326 /nfs/dbraw/zinc/20/33/26/207203326.db2.gz NDHALMXUCURNMQ-NRFANRHFSA-N 1 0 384.520 3.168 50 0 GGAARO CCOc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)ccc1O ZINC000020598735 207204018 /nfs/dbraw/zinc/20/40/18/207204018.db2.gz DATHGOZEUOUFEF-QFIPXVFZSA-N 1 0 398.547 3.292 50 0 GGAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCN1CC[C@H](c2ccccc2)C1 ZINC000020600933 207206154 /nfs/dbraw/zinc/20/61/54/207206154.db2.gz KAMDEQTVMJMVRN-IBGZPJMESA-N 1 0 390.487 3.385 50 0 GGAARO CC(C)[N@@H+]1CCCN(C(=O)c2cc(-c3cn[nH]c3)nc3cc(F)ccc32)CC1 ZINC000020820925 207214967 /nfs/dbraw/zinc/21/49/67/207214967.db2.gz YQSYDKKFVUUIST-UHFFFAOYSA-N 1 0 381.455 3.320 50 0 GGAARO OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1Cc1cccs1 ZINC000020777550 207215151 /nfs/dbraw/zinc/21/51/51/207215151.db2.gz BGQLVCYKFTZFLA-HXUWFJFHSA-N 1 0 382.533 3.003 50 0 GGAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c(C)c1 ZINC000020781019 207215215 /nfs/dbraw/zinc/21/52/15/207215215.db2.gz OPCGENLGWAHKSZ-KRWDZBQOSA-N 1 0 393.491 3.037 50 0 GGAARO Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000020857997 207216711 /nfs/dbraw/zinc/21/67/11/207216711.db2.gz SLFMSQGVJRUPSN-INIZCTEOSA-N 1 0 391.462 3.472 50 0 GGAARO COCc1cc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000020913373 207218987 /nfs/dbraw/zinc/21/89/87/207218987.db2.gz GBLKZRIASYNETA-QFIPXVFZSA-N 1 0 390.568 3.291 50 0 GGAARO C[NH+]1CCN(Cn2cc(CCCC(=O)N3CCCCC3)c3ccccc32)CC1 ZINC000020646963 207209232 /nfs/dbraw/zinc/20/92/32/207209232.db2.gz NFMFEUCGWDIKPZ-UHFFFAOYSA-N 1 0 382.552 3.181 50 0 GGAARO CC(C)c1cc(Br)ccc1OCCOCCN1CC[NH+](C)CC1 ZINC000020639212 207209394 /nfs/dbraw/zinc/20/93/94/207209394.db2.gz PXPPLINOAQGAKA-UHFFFAOYSA-N 1 0 385.346 3.215 50 0 GGAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 ZINC000020706439 207211162 /nfs/dbraw/zinc/21/11/62/207211162.db2.gz NRDNGOOQROMDFV-UHFFFAOYSA-N 1 0 383.540 3.230 50 0 GGAARO Cn1c2ccccc2nc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020776096 207213696 /nfs/dbraw/zinc/21/36/96/207213696.db2.gz MHAMWIPNYAOJKI-OAQYLSRUSA-N 1 0 389.547 3.360 50 0 GGAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000020784367 207214242 /nfs/dbraw/zinc/21/42/42/207214242.db2.gz BVKVWGBPPNKGMS-IBGZPJMESA-N 1 0 395.507 3.306 50 0 GGAARO OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000020999527 207222339 /nfs/dbraw/zinc/22/23/39/207222339.db2.gz CMWJSWMAXSPJIJ-GOSISDBHSA-N 1 0 388.895 3.138 50 0 GGAARO O=C(c1nc2ccccn2c1C[N@@H+]1CC[C@@H](C2CCCCC2)C1)N1CCOCC1 ZINC000020996678 207222361 /nfs/dbraw/zinc/22/23/61/207222361.db2.gz ZBHWJKNLZRAJHZ-LJQANCHMSA-N 1 0 396.535 3.209 50 0 GGAARO Cc1nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000021793559 207237997 /nfs/dbraw/zinc/23/79/97/207237997.db2.gz BUJIKHFYQIRTOR-UHFFFAOYSA-N 1 0 381.524 3.111 50 0 GGAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021795134 207238221 /nfs/dbraw/zinc/23/82/21/207238221.db2.gz ILUDXUXUFSFMNP-UHFFFAOYSA-N 1 0 380.496 3.129 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+](C)C)no2)cc1 ZINC000021807501 207238440 /nfs/dbraw/zinc/23/84/40/207238440.db2.gz UIOKZXHDCIEXEP-FQEVSTJZSA-N 1 0 395.459 3.392 50 0 GGAARO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1C ZINC000021795116 207238878 /nfs/dbraw/zinc/23/88/78/207238878.db2.gz HFCUZEPEHXPDGB-UHFFFAOYSA-N 1 0 394.523 3.356 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@@H+]1Cc1ccccc1 ZINC000022913183 207263155 /nfs/dbraw/zinc/26/31/55/207263155.db2.gz LIBXYFHTJDLUAD-OAQYLSRUSA-N 1 0 379.479 3.443 50 0 GGAARO CC(C)(C)C[N@@H+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1CCO ZINC000022851158 207263304 /nfs/dbraw/zinc/26/33/04/207263304.db2.gz RGNLLNFKQWMALR-KRWDZBQOSA-N 1 0 392.931 3.305 50 0 GGAARO C[N@H+](Cc1ccc(N2CCNC2=O)cc1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000022851931 207263355 /nfs/dbraw/zinc/26/33/55/207263355.db2.gz HOZVQFOOUYUILA-NRFANRHFSA-N 1 0 396.510 3.452 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1C ZINC000023130451 207269302 /nfs/dbraw/zinc/26/93/02/207269302.db2.gz ASLQLRLBGIIMRA-QFIPXVFZSA-N 1 0 398.547 3.389 50 0 GGAARO OCC[C@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1CC1CCCCC1 ZINC000023130525 207270608 /nfs/dbraw/zinc/27/06/08/207270608.db2.gz XZGVDNCBTMOLRY-QHCPKHFHSA-N 1 0 382.552 3.321 50 0 GGAARO CN1CCN(C(=O)c2ccc([C@@H]3CCC[N@@H+]3CCc3ccccc3)s2)CC1=O ZINC000023159402 207271257 /nfs/dbraw/zinc/27/12/57/207271257.db2.gz YYSNZKYAHFGNBP-SFHVURJKSA-N 1 0 397.544 3.042 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN(Cc1cc2c(c(OC)c1)OCO2)Cc1ccccn1 ZINC000023247778 207271732 /nfs/dbraw/zinc/27/17/32/207271732.db2.gz CLUVZHNXRZWSES-IBGZPJMESA-N 1 0 383.492 3.305 50 0 GGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)n1 ZINC000023251480 207271977 /nfs/dbraw/zinc/27/19/77/207271977.db2.gz SAZZMSCZIXHNDE-GOSISDBHSA-N 1 0 378.524 3.333 50 0 GGAARO Cn1ccnc1CCC[N@H+](C)C1CCN(c2cccc(-n3cccn3)c2)CC1 ZINC000023250953 207272668 /nfs/dbraw/zinc/27/26/68/207272668.db2.gz GGINQQSFMSPYNO-UHFFFAOYSA-N 1 0 378.524 3.139 50 0 GGAARO CCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCC(Cn4cccn4)CC3)cc2)n1 ZINC000023312219 207272982 /nfs/dbraw/zinc/27/29/82/207272982.db2.gz WHGMPSSIFQKMDI-UHFFFAOYSA-N 1 0 377.492 3.108 50 0 GGAARO C[NH+]1CCC(NC(=O)c2ccc([C@@H]3CCCN3Cc3ccccn3)s2)CC1 ZINC000023311188 207273253 /nfs/dbraw/zinc/27/32/53/207273253.db2.gz AEQXROKLJVGBPO-SFHVURJKSA-N 1 0 384.549 3.304 50 0 GGAARO C[NH+]1CCC(NC(=O)c2ccc([C@H]3CCCN3Cc3ccccn3)s2)CC1 ZINC000023311192 207273285 /nfs/dbraw/zinc/27/32/85/207273285.db2.gz AEQXROKLJVGBPO-GOSISDBHSA-N 1 0 384.549 3.304 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373800 207276528 /nfs/dbraw/zinc/27/65/28/207276528.db2.gz JJSYPDJFZLCAIU-NRFANRHFSA-N 1 0 379.976 3.081 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3nccs3)C2)cc1OC ZINC000023375109 207276701 /nfs/dbraw/zinc/27/67/01/207276701.db2.gz FHXQQYPOROAWNT-QGZVFWFLSA-N 1 0 375.538 3.299 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@@H]2CCO)cc(OC)c1 ZINC000023375181 207276795 /nfs/dbraw/zinc/27/67/95/207276795.db2.gz QPHQMUBAXZYPCJ-SFHVURJKSA-N 1 0 390.549 3.143 50 0 GGAARO C[N@@H+](Cc1cccc(-c2nc3c(c(=O)[nH]2)CCC3)c1)C[C@@H]1Cc2ccccc2O1 ZINC000023379580 207276804 /nfs/dbraw/zinc/27/68/04/207276804.db2.gz MDFGMEHQFNJMLR-IBGZPJMESA-N 1 0 387.483 3.361 50 0 GGAARO COc1ccccc1-n1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cn1 ZINC000022932622 207264805 /nfs/dbraw/zinc/26/48/05/207264805.db2.gz VAPHUCFCYXMADX-NRFANRHFSA-N 1 0 398.551 3.082 50 0 GGAARO OCC[C@H]1CN(Cc2nc3ccccc3s2)CC[N@@H+]1CCc1ccccc1 ZINC000022932656 207265904 /nfs/dbraw/zinc/26/59/04/207265904.db2.gz UYHFVVCXAMAYKW-IBGZPJMESA-N 1 0 381.545 3.408 50 0 GGAARO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)[nH]n1 ZINC000012306235 207285706 /nfs/dbraw/zinc/28/57/06/207285706.db2.gz GPNFLUWJTJTQQI-QHCPKHFHSA-N 1 0 394.519 3.173 50 0 GGAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3c(C)nc4ccc(Cl)cn43)C2)C1 ZINC000012306388 207287082 /nfs/dbraw/zinc/28/70/82/207287082.db2.gz QKBXNNLXYRSJBR-HXUWFJFHSA-N 1 0 376.932 3.230 50 0 GGAARO c1ncc(-c2cccc(N3CCC([NH2+]Cc4nnc5n4CCCC5)CC3)c2)o1 ZINC000023506146 207278132 /nfs/dbraw/zinc/27/81/32/207278132.db2.gz DAUKFGVPROJQJL-UHFFFAOYSA-N 1 0 378.480 3.028 50 0 GGAARO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000023477197 207278634 /nfs/dbraw/zinc/27/86/34/207278634.db2.gz CSXQWAOEWYHBPF-OAHLLOKOSA-N 1 0 376.913 3.182 50 0 GGAARO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3nc4ccccc4[nH]3)CC2)[C@H]1O ZINC000023543893 207280059 /nfs/dbraw/zinc/28/00/59/207280059.db2.gz VVKWGOYMHKTTAI-RTWAWAEBSA-N 1 0 376.504 3.468 50 0 GGAARO O=C(NCCCc1ccccc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000038592885 207311351 /nfs/dbraw/zinc/31/13/51/207311351.db2.gz SRRHRUDSMVSHRQ-UHFFFAOYSA-N 1 0 380.536 3.131 50 0 GGAARO O=C(c1csc2nc(-c3ccccc3)cn12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012432332 207308921 /nfs/dbraw/zinc/30/89/21/207308921.db2.gz GONLQAXAPVWXBN-UHFFFAOYSA-N 1 0 389.484 3.420 50 0 GGAARO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000025607615 207304023 /nfs/dbraw/zinc/30/40/23/207304023.db2.gz JPLUJYJGAFJULW-HNNXBMFYSA-N 1 0 397.922 3.431 50 0 GGAARO CC[C@H](Oc1ccc(F)cc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027741737 207330554 /nfs/dbraw/zinc/33/05/54/207330554.db2.gz BYTXMEJOSTZIBR-FQEVSTJZSA-N 1 0 391.531 3.050 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)[C@@H](C)Oc3ccccc3F)CCCCC2)CC1 ZINC000028403403 207342406 /nfs/dbraw/zinc/34/24/06/207342406.db2.gz HDQZZVMAPHRNII-GOSISDBHSA-N 1 0 391.531 3.050 50 0 GGAARO CC(C)(C)c1ccc(OCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000032593848 207397259 /nfs/dbraw/zinc/39/72/59/207397259.db2.gz UAXXKVBVWDWHJO-UHFFFAOYSA-N 1 0 388.552 3.324 50 0 GGAARO COc1cccc2c1ncn(C[C@@H]1CCC[N@H+](CCc3ccccc3)C1)c2=O ZINC000032523724 207397370 /nfs/dbraw/zinc/39/73/70/207397370.db2.gz WBEVZHPAYZPJRB-LJQANCHMSA-N 1 0 377.488 3.360 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)CC1 ZINC000032541370 207397821 /nfs/dbraw/zinc/39/78/21/207397821.db2.gz ZUUUUCNQPCMSSP-LJQANCHMSA-N 1 0 395.551 3.268 50 0 GGAARO COc1ccc(NC(=O)[C@@H]2C[C@H](C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035828111 207502756 /nfs/dbraw/zinc/50/27/56/207502756.db2.gz IDUXNWJPOZVGBU-ORBZYBPHSA-N 1 0 385.851 3.133 50 0 GGAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000067742765 207904122 /nfs/dbraw/zinc/90/41/22/207904122.db2.gz HYPLWIGQTHRAHY-FQEVSTJZSA-N 1 0 382.508 3.270 50 0 GGAARO CC[C@H](O)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000067769550 207907564 /nfs/dbraw/zinc/90/75/64/207907564.db2.gz RYWADZMIYGDNCL-HNNXBMFYSA-N 1 0 376.888 3.197 50 0 GGAARO Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)c3ccccc3O)CC2)nc1 ZINC000067804619 207908703 /nfs/dbraw/zinc/90/87/03/207908703.db2.gz YQFGZCHUSKWOAV-UHFFFAOYSA-N 1 0 379.504 3.365 50 0 GGAARO NC(=O)C1CC[NH+](CCCn2ccnc2-c2ccccc2C(F)(F)F)CC1 ZINC000067819941 207909528 /nfs/dbraw/zinc/90/95/28/207909528.db2.gz CTFGMIDKWOJGAA-UHFFFAOYSA-N 1 0 380.414 3.156 50 0 GGAARO O=c1n(Cc2ccc3ccccc3n2)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071422357 207940141 /nfs/dbraw/zinc/94/01/41/207940141.db2.gz QJRHKBIHVQHKOD-GOSISDBHSA-N 1 0 385.471 3.098 50 0 GGAARO COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1C[NH2+]C1CCCCCC1 ZINC000071712055 207946569 /nfs/dbraw/zinc/94/65/69/207946569.db2.gz YDMJTLVAOBFIQY-UHFFFAOYSA-N 1 0 394.519 3.496 50 0 GGAARO COCCC[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1 ZINC000067872697 207915411 /nfs/dbraw/zinc/91/54/11/207915411.db2.gz MYNPFSGAXZCWDN-UHFFFAOYSA-N 1 0 387.484 3.209 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC=CCC1 ZINC000071747656 207949459 /nfs/dbraw/zinc/94/94/59/207949459.db2.gz GYYUWMXUANGFHO-SFHVURJKSA-N 1 0 394.519 3.297 50 0 GGAARO CCOc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071752177 207951403 /nfs/dbraw/zinc/95/14/03/207951403.db2.gz KKXQAFOKRTYXCF-PWRODBHTSA-N 1 0 377.488 3.183 50 0 GGAARO CN(C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C)C1CC[NH+](C)CC1 ZINC000077566022 208048569 /nfs/dbraw/zinc/04/85/69/208048569.db2.gz MNTXPLDDEWOBDF-UHFFFAOYSA-N 1 0 397.910 3.455 50 0 GGAARO Cc1ccc(OC2(C(=O)NCCc3c[nH]c4ccccc34)CC[NH2+]CC2)cc1 ZINC000077539405 208048663 /nfs/dbraw/zinc/04/86/63/208048663.db2.gz XNJXQXKMSKLMCY-UHFFFAOYSA-N 1 0 377.488 3.336 50 0 GGAARO CC(C)Cn1c(CC2(CC(=O)N3CCC[NH2+]CC3)CCCC2)nc2cccnc21 ZINC000077517461 208050040 /nfs/dbraw/zinc/05/00/40/208050040.db2.gz HVZGDRPQCDFSML-UHFFFAOYSA-N 1 0 397.567 3.402 50 0 GGAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)CC2)C[C@H](C)O1 ZINC000072406727 208017548 /nfs/dbraw/zinc/01/75/48/208017548.db2.gz HGVDHRSJCHSRBF-HDICACEKSA-N 1 0 388.552 3.104 50 0 GGAARO O=C(c1ccc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)nc1)N1CCOCC1 ZINC000072419063 208019353 /nfs/dbraw/zinc/01/93/53/208019353.db2.gz QIVJAYVFUPOTIB-HXUWFJFHSA-N 1 0 386.540 3.011 50 0 GGAARO CO[C@H]1[C@H](NC(=O)c2ccc3ccccc3n2)c2ccccc2C12CC[NH2+]CC2 ZINC000072411391 208019790 /nfs/dbraw/zinc/01/97/90/208019790.db2.gz LKAKVFGLVFEHCZ-YADHBBJMSA-N 1 0 387.483 3.356 50 0 GGAARO Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H](c3ccco3)[NH+](C)C)c12 ZINC000072418726 208020545 /nfs/dbraw/zinc/02/05/45/208020545.db2.gz FZRKRRYSZXBUDK-HNNXBMFYSA-N 1 0 377.452 3.042 50 0 GGAARO CC[C@]1(C)CC(=O)c2cc(NC(=O)CCc3cc4n(n3)CCC[NH2+]C4)ccc2O1 ZINC000072423355 208021127 /nfs/dbraw/zinc/02/11/27/208021127.db2.gz CXQZHNBJYKBNCF-JOCHJYFZSA-N 1 0 396.491 3.082 50 0 GGAARO COc1ccc2n[nH]c(C[N@@H+]3CC[C@@H]4[C@@H](CCC(=O)N4CCC(C)C)C3)c2c1 ZINC000072424453 208021585 /nfs/dbraw/zinc/02/15/85/208021585.db2.gz ULRPIOKGZDMKAU-HRAATJIYSA-N 1 0 384.524 3.431 50 0 GGAARO Cc1ccc(-c2nc3cc(F)ccc3cc2CN2CC[NH+](CCO)CC2)cc1 ZINC000072428146 208022414 /nfs/dbraw/zinc/02/24/14/208022414.db2.gz QAAGHWKTBFEHTB-UHFFFAOYSA-N 1 0 379.479 3.459 50 0 GGAARO CC(C)(O)CCc1cccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000072423110 208022662 /nfs/dbraw/zinc/02/26/62/208022662.db2.gz BZKHCSRHBSXHHB-UHFFFAOYSA-N 1 0 381.520 3.180 50 0 GGAARO C[C@@H]1C[N@H+](C2CCN(Cc3nn(C)c4cccc(Cl)c34)CC2)C[C@H](C)O1 ZINC000072427926 208023378 /nfs/dbraw/zinc/02/33/78/208023378.db2.gz DBGUVXVKWSUJFC-GASCZTMLSA-N 1 0 376.932 3.300 50 0 GGAARO CSc1ccc(-c2nc(CN3CCOC[C@@H](C[NH+](C)C)C3)c(C)o2)cc1 ZINC000072430643 208024804 /nfs/dbraw/zinc/02/48/04/208024804.db2.gz UHGKHAZPEXYVOI-INIZCTEOSA-N 1 0 375.538 3.382 50 0 GGAARO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000072429518 208024863 /nfs/dbraw/zinc/02/48/63/208024863.db2.gz KCYLDQGOGZTSPW-OAHLLOKOSA-N 1 0 381.480 3.391 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN1Cc2c(cccc2C(=O)NCc2ccc(C)s2)C1=O ZINC000072433395 208025237 /nfs/dbraw/zinc/02/52/37/208025237.db2.gz RUYLWVGZUUKYIL-MRXNPFEDSA-N 1 0 397.544 3.427 50 0 GGAARO O=c1[nH]c2ccccc2cc1C[NH+]1CCC(c2nnc3n2CCCCC3)CC1 ZINC000072476421 208029126 /nfs/dbraw/zinc/02/91/26/208029126.db2.gz FPJKMVTWFVAJOM-UHFFFAOYSA-N 1 0 377.492 3.226 50 0 GGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000072462752 208029961 /nfs/dbraw/zinc/02/99/61/208029961.db2.gz QZOKDHMOOAEBIM-BETUJISGSA-N 1 0 379.338 3.214 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN1Cc2c(cccc2C(=O)NCC2=CCCCC2)C1=O ZINC000072481240 208032818 /nfs/dbraw/zinc/03/28/18/208032818.db2.gz PZDARSATIQZRQK-GOSISDBHSA-N 1 0 381.520 3.357 50 0 GGAARO CC(C)(O)CCc1cccc(C(=O)N2CC[NH+](C3CCSCC3)CC2)c1 ZINC000072478725 208034056 /nfs/dbraw/zinc/03/40/56/208034056.db2.gz HQCADONVROTXTF-UHFFFAOYSA-N 1 0 376.566 3.044 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000076989280 208037245 /nfs/dbraw/zinc/03/72/45/208037245.db2.gz LEOVAPLASLXKKE-OAQYLSRUSA-N 1 0 394.563 3.060 50 0 GGAARO Cc1cnc(CN2C[C@]3(CCC[N@@H+](CCSC(C)C)C3)CCC2=O)cn1 ZINC000077299449 208038832 /nfs/dbraw/zinc/03/88/32/208038832.db2.gz IHOAMGGISWPDHB-HXUWFJFHSA-N 1 0 376.570 3.131 50 0 GGAARO CCCC[C@H]([NH3+])C(=O)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077391735 208040259 /nfs/dbraw/zinc/04/02/59/208040259.db2.gz MBTDUBRXGQINJL-SFHVURJKSA-N 1 0 391.943 3.199 50 0 GGAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077375194 208040454 /nfs/dbraw/zinc/04/04/54/208040454.db2.gz UAZLCEKDYUYHQZ-UHFFFAOYSA-N 1 0 384.524 3.010 50 0 GGAARO CCC(CC)CN1CC2(CCN(C(=O)C3CCC(C[NH3+])CC3)CC2)OC1=O ZINC000077407567 208044710 /nfs/dbraw/zinc/04/47/10/208044710.db2.gz DUHFQWYWYJEYEX-UHFFFAOYSA-N 1 0 379.545 3.001 50 0 GGAARO Cc1cnc2c(Cl)c(C(=O)N3CCC[N@@H+](C4CCCCC4)CC3)nn2c1 ZINC000077407341 208044828 /nfs/dbraw/zinc/04/48/28/208044828.db2.gz ASNFZLOSSMVJDV-UHFFFAOYSA-N 1 0 375.904 3.172 50 0 GGAARO Cc1c2cc(Cl)cc(CNC(=O)[C@@H]3C[C@H]([NH3+])CN3C)c2[nH]c1-c1ccccc1 ZINC000077454956 208044918 /nfs/dbraw/zinc/04/49/18/208044918.db2.gz GASDKTCUUUWLOL-HKUYNNGSSA-N 1 0 396.922 3.444 50 0 GGAARO COc1cc(SC)c(OC)cc1C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000077485666 208045972 /nfs/dbraw/zinc/04/59/72/208045972.db2.gz XEWGNILOZRJAHY-UHFFFAOYSA-N 1 0 378.538 3.260 50 0 GGAARO CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082092234 208076847 /nfs/dbraw/zinc/07/68/47/208076847.db2.gz RWOXRUQGIHZJMD-NRFANRHFSA-N 1 0 384.568 3.017 50 0 GGAARO O=C(CC[NH+]1CCCC1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 ZINC000080340180 208077241 /nfs/dbraw/zinc/07/72/41/208077241.db2.gz LXQJCRHMEALIMC-UHFFFAOYSA-N 1 0 398.434 3.252 50 0 GGAARO CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082092232 208078032 /nfs/dbraw/zinc/07/80/32/208078032.db2.gz RWOXRUQGIHZJMD-OAQYLSRUSA-N 1 0 384.568 3.017 50 0 GGAARO CN(CC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082121707 208079145 /nfs/dbraw/zinc/07/91/45/208079145.db2.gz AXQKDOYZZVOGRS-HXUWFJFHSA-N 1 0 386.584 3.263 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)Nc3ccc(F)c(Cl)c3)cc2C1 ZINC000082106885 208079739 /nfs/dbraw/zinc/07/97/39/208079739.db2.gz VQQFJGHZMLXEJZ-UHFFFAOYSA-N 1 0 379.867 3.469 50 0 GGAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082120938 208080043 /nfs/dbraw/zinc/08/00/43/208080043.db2.gz MPSAKRWLMWJPQD-UHFFFAOYSA-N 1 0 397.475 3.111 50 0 GGAARO CC1(C)CCCN1C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106691 208080059 /nfs/dbraw/zinc/08/00/59/208080059.db2.gz YDJGOTUGNIFRCP-FQEVSTJZSA-N 1 0 384.568 3.159 50 0 GGAARO CCCC1(NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082121061 208080665 /nfs/dbraw/zinc/08/06/65/208080665.db2.gz FXXSZYOMBMPFMZ-FQEVSTJZSA-N 1 0 384.568 3.207 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCC12CC2 ZINC000082121179 208080797 /nfs/dbraw/zinc/08/07/97/208080797.db2.gz ZWJFPNSPANMJMX-OAQYLSRUSA-N 1 0 396.579 3.303 50 0 GGAARO C[C@@H](C1CCN(C(=O)CCCc2ccc(F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000082146253 208081484 /nfs/dbraw/zinc/08/14/84/208081484.db2.gz VGQSPNKZEKVGBV-SFHVURJKSA-N 1 0 375.532 3.023 50 0 GGAARO O=C(NCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082139177 208081534 /nfs/dbraw/zinc/08/15/34/208081534.db2.gz MBDFXGATXUDIFN-QFIPXVFZSA-N 1 0 396.579 3.375 50 0 GGAARO C[C@H](C1CCN(C(=O)CCCc2ccc(F)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000082146255 208082893 /nfs/dbraw/zinc/08/28/93/208082893.db2.gz VGQSPNKZEKVGBV-GOSISDBHSA-N 1 0 375.532 3.023 50 0 GGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccc(OC)c(Cl)c3)cc2C1 ZINC000082160886 208083194 /nfs/dbraw/zinc/08/31/94/208083194.db2.gz GLKPBGAHSJCKLP-UHFFFAOYSA-N 1 0 376.888 3.091 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)c3ccccc3Cl)[nH+]c(C)n2)c1C ZINC000082230399 208084707 /nfs/dbraw/zinc/08/47/07/208084707.db2.gz RPZSXKZNCMGIKH-UHFFFAOYSA-N 1 0 384.871 3.083 50 0 GGAARO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](C4Cc5ccccc5C4)C3)CCC2=O)cn1 ZINC000091562939 208122072 /nfs/dbraw/zinc/12/20/72/208122072.db2.gz ZNMGEBRLTJAWRL-DEOSSOPVSA-N 1 0 390.531 3.157 50 0 GGAARO CC[NH+](CC)[C@H](CNC(=O)c1cnc(-c2cccs2)[nH]c1=O)c1ccco1 ZINC000091518611 208122437 /nfs/dbraw/zinc/12/24/37/208122437.db2.gz DYMWJRWYRQXHIK-CQSZACIVSA-N 1 0 386.477 3.317 50 0 GGAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1c[nH]nc1-c1cccc(F)c1)C2 ZINC000091563513 208123054 /nfs/dbraw/zinc/12/30/54/208123054.db2.gz CJDOCLIIELDLJG-JOCHJYFZSA-N 1 0 382.483 3.440 50 0 GGAARO Cc1nc(N)sc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091518852 208123165 /nfs/dbraw/zinc/12/31/65/208123165.db2.gz CECWXLDEKZJBGW-ZWKOTPCHSA-N 1 0 384.549 3.203 50 0 GGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000091575447 208123502 /nfs/dbraw/zinc/12/35/02/208123502.db2.gz XJWZVVVLAASFSL-UHFFFAOYSA-N 1 0 384.499 3.123 50 0 GGAARO CCc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000091526909 208123524 /nfs/dbraw/zinc/12/35/24/208123524.db2.gz UHPWEXQBDQOYSD-UYAOXDASSA-N 1 0 379.504 3.259 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1C ZINC000091563232 208123782 /nfs/dbraw/zinc/12/37/82/208123782.db2.gz LKEBUEJUUJIFBI-FQEVSTJZSA-N 1 0 386.536 3.387 50 0 GGAARO CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)c(C)n1 ZINC000091593389 208124866 /nfs/dbraw/zinc/12/48/66/208124866.db2.gz RONURDKFDZXZRE-UHFFFAOYSA-N 1 0 395.551 3.054 50 0 GGAARO CNC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)o1 ZINC000091587035 208125421 /nfs/dbraw/zinc/12/54/21/208125421.db2.gz ZTRMMGSAGVCERD-VQTJNVASSA-N 1 0 381.520 3.168 50 0 GGAARO O=C1CC[C@]2(CCC[N@H+](Cc3cccc4nonc43)C2)CN1Cc1cccnc1 ZINC000091620274 208125571 /nfs/dbraw/zinc/12/55/71/208125571.db2.gz VJXCHZPIXPOLFV-QFIPXVFZSA-N 1 0 391.475 3.023 50 0 GGAARO CCN1CC2(CC[NH+](Cc3cnn(C)c3C)CC2)C[C@H](c2ccccc2)C1=O ZINC000091586449 208125619 /nfs/dbraw/zinc/12/56/19/208125619.db2.gz WWCSVPZPTUNISF-OAQYLSRUSA-N 1 0 380.536 3.347 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2cccc(F)c2)CC3)cn1 ZINC000091575501 208125807 /nfs/dbraw/zinc/12/58/07/208125807.db2.gz NDECKYCVUBRADT-UHFFFAOYSA-N 1 0 382.483 3.329 50 0 GGAARO CNc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)ccn1 ZINC000091593245 208125853 /nfs/dbraw/zinc/12/58/53/208125853.db2.gz QCGPKIQMQLQOGS-FQEVSTJZSA-N 1 0 378.520 3.465 50 0 GGAARO Cc1nc2sccn2c1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000091587352 208126440 /nfs/dbraw/zinc/12/64/40/208126440.db2.gz ZPCWRLLMOXCSSL-UHFFFAOYSA-N 1 0 398.580 3.433 50 0 GGAARO Cc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)c1 ZINC000091625322 208126676 /nfs/dbraw/zinc/12/66/76/208126676.db2.gz NQLXEBRNDWDTMS-UHFFFAOYSA-N 1 0 378.520 3.394 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091644414 208127940 /nfs/dbraw/zinc/12/79/40/208127940.db2.gz DJUCPCPRVONHGY-QFIPXVFZSA-N 1 0 382.508 3.134 50 0 GGAARO OC[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000091626415 208128394 /nfs/dbraw/zinc/12/83/94/208128394.db2.gz JQYHIUNIFMBBKX-QZTJIDSGSA-N 1 0 378.582 3.168 50 0 GGAARO COc1cccc(-c2cc(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)[nH]n2)c1 ZINC000091625344 208128636 /nfs/dbraw/zinc/12/86/36/208128636.db2.gz GXZLBPWBHGBRPR-IBGZPJMESA-N 1 0 390.487 3.214 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)C[C@@H]1CCc3ccccc31)CC2 ZINC000091645666 208128698 /nfs/dbraw/zinc/12/86/98/208128698.db2.gz WNOCSCRCFUZSFJ-SFHVURJKSA-N 1 0 378.520 3.226 50 0 GGAARO Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1 ZINC000091636278 208129924 /nfs/dbraw/zinc/12/99/24/208129924.db2.gz WGKXFUBMBXAAKS-DHIUTWEWSA-N 1 0 380.532 3.035 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]n2)cc1 ZINC000091645580 208130029 /nfs/dbraw/zinc/13/00/29/208130029.db2.gz LLNBSDQHYHPTEB-SFHVURJKSA-N 1 0 390.487 3.337 50 0 GGAARO CCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3cccc(F)c3n1)CC2 ZINC000091636419 208130106 /nfs/dbraw/zinc/13/01/06/208130106.db2.gz VVIREHMETZUIFA-UHFFFAOYSA-N 1 0 379.483 3.466 50 0 GGAARO CCn1cncc1C[NH+]1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091677486 208131007 /nfs/dbraw/zinc/13/10/07/208131007.db2.gz GCPRSUCAXBCXEQ-RMKNXTFCSA-N 1 0 378.520 3.431 50 0 GGAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)c1 ZINC000091665747 208132338 /nfs/dbraw/zinc/13/23/38/208132338.db2.gz OBPDGIAOIRJFKN-IBGZPJMESA-N 1 0 377.488 3.438 50 0 GGAARO Cc1nccn1CCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 ZINC000091793521 208139603 /nfs/dbraw/zinc/13/96/03/208139603.db2.gz QATTYOLPSJNFRU-NRFANRHFSA-N 1 0 380.536 3.310 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1F ZINC000091657310 208132578 /nfs/dbraw/zinc/13/25/78/208132578.db2.gz SJYIAHLWDOVGNI-GOSISDBHSA-N 1 0 390.499 3.218 50 0 GGAARO CCn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c(C)n1 ZINC000091690755 208132687 /nfs/dbraw/zinc/13/26/87/208132687.db2.gz YZMMVUDKJCMQAT-LEWJYISDSA-N 1 0 380.536 3.381 50 0 GGAARO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)cc2c1OCO2 ZINC000091664592 208132781 /nfs/dbraw/zinc/13/27/81/208132781.db2.gz CYTBDOWABVZWSG-JOCHJYFZSA-N 1 0 386.492 3.039 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1F ZINC000091657309 208132960 /nfs/dbraw/zinc/13/29/60/208132960.db2.gz SJYIAHLWDOVGNI-SFHVURJKSA-N 1 0 390.499 3.218 50 0 GGAARO COc1ccc(-c2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH]n2)cc1 ZINC000091769873 208134752 /nfs/dbraw/zinc/13/47/52/208134752.db2.gz KIZOFHZTVPFAOD-GOSISDBHSA-N 1 0 376.460 3.090 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc3cc(C)ccc3[nH]1)CC2 ZINC000091755382 208134975 /nfs/dbraw/zinc/13/49/75/208134975.db2.gz CGWOOIGUPKVYMA-UHFFFAOYSA-N 1 0 377.492 3.209 50 0 GGAARO CSc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H](C(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000091725300 208134991 /nfs/dbraw/zinc/13/49/91/208134991.db2.gz RWAMWFZAJTXKFO-MSOLQXFVSA-N 1 0 397.544 3.198 50 0 GGAARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4ccccc4C)C3)CCC2=O)cn1 ZINC000091738030 208135423 /nfs/dbraw/zinc/13/54/23/208135423.db2.gz PJKKTKBWPXBFMP-QHCPKHFHSA-N 1 0 378.520 3.498 50 0 GGAARO O=C1CCC(c2ccccc2)(c2ccccc2)CN1CC[N@H+]1CCC[C@@H](CO)C1 ZINC000091769032 208135503 /nfs/dbraw/zinc/13/55/03/208135503.db2.gz DNEHROHCKBKWDB-OAQYLSRUSA-N 1 0 392.543 3.299 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cn(C)nc3C)CC2)C1 ZINC000091769561 208135723 /nfs/dbraw/zinc/13/57/23/208135723.db2.gz HOMLZCIGXPCMNW-FQEVSTJZSA-N 1 0 380.536 3.460 50 0 GGAARO CN1CCC([NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)CC1 ZINC000091713566 208136172 /nfs/dbraw/zinc/13/61/72/208136172.db2.gz AXMSZAALQKVNTJ-JOCHJYFZSA-N 1 0 381.564 3.341 50 0 GGAARO CCCn1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c(C)n1 ZINC000091745796 208136596 /nfs/dbraw/zinc/13/65/96/208136596.db2.gz RRHMEJOJNYSBBJ-UHFFFAOYSA-N 1 0 395.551 3.401 50 0 GGAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)nc1 ZINC000091724360 208136613 /nfs/dbraw/zinc/13/66/13/208136613.db2.gz PEYBMRVQHDYPIV-UHFFFAOYSA-N 1 0 395.551 3.135 50 0 GGAARO Cc1ccc2n[nH]c(C(=O)NCc3cc4n(n3)CC[N@@H+](C3CCCCC3)C4)c2c1 ZINC000091820352 208138076 /nfs/dbraw/zinc/13/80/76/208138076.db2.gz HVTTUPGKTUGUGL-UHFFFAOYSA-N 1 0 392.507 3.146 50 0 GGAARO c1coc(-c2ncc(-c3cn([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3)cn2)c1 ZINC000091770321 208138825 /nfs/dbraw/zinc/13/88/25/208138825.db2.gz APAGCYPJWNFHSF-GOSISDBHSA-N 1 0 387.447 3.227 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)cc1 ZINC000091818068 208138887 /nfs/dbraw/zinc/13/88/87/208138887.db2.gz MGRBPNRFORUSNM-UHFFFAOYSA-N 1 0 394.519 3.198 50 0 GGAARO O=C(c1c[nH]nc1-c1cccc(F)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000091847947 208139003 /nfs/dbraw/zinc/13/90/03/208139003.db2.gz QCFFGSCYEGAPEV-OALUTQOASA-N 1 0 376.435 3.315 50 0 GGAARO CN1CC[C@@]2(CN(Cc3cccc(-c4ccccc4)c3)CC[N@@H+]2C)CCC1=O ZINC000091289317 208113169 /nfs/dbraw/zinc/11/31/69/208113169.db2.gz AMZGBCLTWRPREV-XMMPIXPASA-N 1 0 377.532 3.482 50 0 GGAARO O=C1CCC2(CC[NH+](CCOc3ccc(F)cc3)CC2)CN1C[C@@H]1CCCO1 ZINC000091255126 208113606 /nfs/dbraw/zinc/11/36/06/208113606.db2.gz HFZPLHSOSIQQMC-FQEVSTJZSA-N 1 0 390.499 3.088 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccnc(N)c3)CC2)C1 ZINC000091255875 208113945 /nfs/dbraw/zinc/11/39/45/208113945.db2.gz FQYQCMQLVAERQW-HXUWFJFHSA-N 1 0 378.520 3.396 50 0 GGAARO CN1CC[C@]2(CN(Cc3cccc(-c4ccccc4)c3)CC[N@@H+]2C)CCC1=O ZINC000091289316 208115471 /nfs/dbraw/zinc/11/54/71/208115471.db2.gz AMZGBCLTWRPREV-DEOSSOPVSA-N 1 0 377.532 3.482 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccnc3ccccc13)CC2 ZINC000091321616 208115506 /nfs/dbraw/zinc/11/55/06/208115506.db2.gz WPVUSZUAAAQSAG-UHFFFAOYSA-N 1 0 381.520 3.476 50 0 GGAARO Cc1[nH]c2c(cccc2C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000091412465 208115893 /nfs/dbraw/zinc/11/58/93/208115893.db2.gz LXDURCQRPHRVII-RTBURBONSA-N 1 0 383.536 3.341 50 0 GGAARO OCCC[C@@H]1CN(Cc2[nH]c3ccccc3c2Cl)CC[C@@H]1[NH+]1CCOCC1 ZINC000091434609 208116391 /nfs/dbraw/zinc/11/63/91/208116391.db2.gz XCEOFRYCHGQQKV-UZLBHIALSA-N 1 0 391.943 3.117 50 0 GGAARO CCn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cc1C ZINC000091351062 208116979 /nfs/dbraw/zinc/11/69/79/208116979.db2.gz MFTIWGPYYHINAW-LEWJYISDSA-N 1 0 380.536 3.381 50 0 GGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CC[C@H]1CCOC1)CC2 ZINC000091435161 208117190 /nfs/dbraw/zinc/11/71/90/208117190.db2.gz YYJBKTIPKWXUKN-INIZCTEOSA-N 1 0 378.463 3.206 50 0 GGAARO CCn1nc(C)c(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1C ZINC000091416822 208118020 /nfs/dbraw/zinc/11/80/20/208118020.db2.gz OCORFJSMXUAEST-UHFFFAOYSA-N 1 0 395.551 3.320 50 0 GGAARO COCc1ccc(C(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)s1 ZINC000091468537 208119966 /nfs/dbraw/zinc/11/99/66/208119966.db2.gz YETNZUSTNCCFCY-UHFFFAOYSA-N 1 0 388.537 3.169 50 0 GGAARO COc1ccnc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)c1OC ZINC000091452356 208120841 /nfs/dbraw/zinc/12/08/41/208120841.db2.gz ZZFYOKLXUFSXKO-QFIPXVFZSA-N 1 0 387.524 3.246 50 0 GGAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(C)cc1C)CC2 ZINC000091548159 208121803 /nfs/dbraw/zinc/12/18/03/208121803.db2.gz ULKDKJJIRZLARF-UHFFFAOYSA-N 1 0 381.524 3.211 50 0 GGAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1c[nH]nc1-c1cccc(F)c1)C2 ZINC000091563514 208121859 /nfs/dbraw/zinc/12/18/59/208121859.db2.gz CJDOCLIIELDLJG-QFIPXVFZSA-N 1 0 382.483 3.440 50 0 GGAARO O=C(c1cccnn1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095354316 208157612 /nfs/dbraw/zinc/15/76/12/208157612.db2.gz QDYMUVRUNMHXJP-LJQANCHMSA-N 1 0 376.504 3.351 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cnccc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095354239 208158490 /nfs/dbraw/zinc/15/84/90/208158490.db2.gz YDBCFIGJYNOUSU-BHDDXSALSA-N 1 0 377.488 3.101 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)CCc3ccccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095354554 208159069 /nfs/dbraw/zinc/15/90/69/208159069.db2.gz CQSSUPWYEJQLDW-QPTUXGOLSA-N 1 0 391.515 3.112 50 0 GGAARO CSc1ncc(CN2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095357871 208159942 /nfs/dbraw/zinc/15/99/42/208159942.db2.gz RUOYIKSLVDHFJO-XUVXKRRUSA-N 1 0 384.524 3.400 50 0 GGAARO O=C(NCc1ccccc1CN1CCCC1=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095357788 208160086 /nfs/dbraw/zinc/16/00/86/208160086.db2.gz KDIGWUHBMJRBPJ-FQEVSTJZSA-N 1 0 391.515 3.206 50 0 GGAARO CC(C)N1CCC([N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000095362052 208160224 /nfs/dbraw/zinc/16/02/24/208160224.db2.gz CNMJFOIVCFOAHA-TUACAJSNSA-N 1 0 397.563 3.150 50 0 GGAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)cc1 ZINC000095358308 208160617 /nfs/dbraw/zinc/16/06/17/208160617.db2.gz YPWGKKXOCMMXMP-OAQYLSRUSA-N 1 0 377.488 3.283 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCc2ccncc2)C3)cc1 ZINC000095358240 208160840 /nfs/dbraw/zinc/16/08/40/208160840.db2.gz JQGQQFLARDIELH-LEWJYISDSA-N 1 0 379.504 3.146 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000095361963 208160869 /nfs/dbraw/zinc/16/08/69/208160869.db2.gz PKVPCKYVRSVMMT-IBGZPJMESA-N 1 0 377.492 3.013 50 0 GGAARO CCCn1cc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 ZINC000095359549 208161872 /nfs/dbraw/zinc/16/18/72/208161872.db2.gz QCRMYPRDJNKMEM-YTFSRNRJSA-N 1 0 380.536 3.369 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2n[nH]c4ccccc42)C3)cc1 ZINC000095362729 208162990 /nfs/dbraw/zinc/16/29/90/208162990.db2.gz LAMFLWDHLOTGDB-ZWKOTPCHSA-N 1 0 390.487 3.308 50 0 GGAARO Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)s1 ZINC000095366123 208164842 /nfs/dbraw/zinc/16/48/42/208164842.db2.gz DNBAKVAZNVDLKG-DLBZAZTESA-N 1 0 388.537 3.030 50 0 GGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3cccc(F)c3)nc1)C2 ZINC000095367767 208165136 /nfs/dbraw/zinc/16/51/36/208165136.db2.gz LZYRXBQJHWARPT-OXQOHEQNSA-N 1 0 383.467 3.071 50 0 GGAARO CNc1cc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccn1 ZINC000095372408 208165398 /nfs/dbraw/zinc/16/53/98/208165398.db2.gz MWFZKLORKRXQLB-KSEOMHKRSA-N 1 0 376.504 3.134 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000095368997 208165847 /nfs/dbraw/zinc/16/58/47/208165847.db2.gz LRINSXUXQCFRSZ-OAHLLOKOSA-N 1 0 376.451 3.133 50 0 GGAARO CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095372844 208166039 /nfs/dbraw/zinc/16/60/39/208166039.db2.gz UOXDVAZAUYRFPJ-AZUAARDMSA-N 1 0 384.499 3.098 50 0 GGAARO Cc1ccc([C@H](CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000095372196 208166338 /nfs/dbraw/zinc/16/63/38/208166338.db2.gz BQWCYTGESURNKE-NRFANRHFSA-N 1 0 385.552 3.143 50 0 GGAARO O=C(NC1CCCCC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095370192 208166449 /nfs/dbraw/zinc/16/64/49/208166449.db2.gz RDPQIFWRSVSQLR-VLCRHTCISA-N 1 0 397.519 3.320 50 0 GGAARO O=C(c1cc(F)cc(F)c1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095369819 208167424 /nfs/dbraw/zinc/16/74/24/208167424.db2.gz LGXBOZFNCQQWEA-PWRODBHTSA-N 1 0 384.426 3.373 50 0 GGAARO COc1ncccc1C(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095371110 208168059 /nfs/dbraw/zinc/16/80/59/208168059.db2.gz KAIOCGSJPFZDLE-PWRODBHTSA-N 1 0 377.488 3.101 50 0 GGAARO CCCn1ncc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000095371721 208168075 /nfs/dbraw/zinc/16/80/75/208168075.db2.gz OXVYAXOHAWNIIK-YTFSRNRJSA-N 1 0 380.536 3.369 50 0 GGAARO Cc1nc[nH]c1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000095378050 208168381 /nfs/dbraw/zinc/16/83/81/208168381.db2.gz HYIPCUGDHOIRRD-HXUWFJFHSA-N 1 0 378.520 3.479 50 0 GGAARO Cc1ccsc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095378026 208168562 /nfs/dbraw/zinc/16/85/62/208168562.db2.gz FXYPMQWTTLYQKG-PWIZWCRZSA-N 1 0 396.512 3.488 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCc2cccnc2)C3)cc1 ZINC000095374628 208168810 /nfs/dbraw/zinc/16/88/10/208168810.db2.gz JUGSTMQPDITXQM-LEWJYISDSA-N 1 0 379.504 3.146 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC(OCc2cccnc2)CC1 ZINC000095374242 208169333 /nfs/dbraw/zinc/16/93/33/208169333.db2.gz UGNUGYLTJPYSGR-UHFFFAOYSA-N 1 0 383.492 3.094 50 0 GGAARO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1O ZINC000095376744 208169600 /nfs/dbraw/zinc/16/96/00/208169600.db2.gz NKLDQNOQMDRPGZ-QFBILLFUSA-N 1 0 384.451 3.277 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc(O)c(C)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095377207 208169948 /nfs/dbraw/zinc/16/99/48/208169948.db2.gz CPPRTQWYNNMLEW-MDNUFGMLSA-N 1 0 392.499 3.412 50 0 GGAARO CCN1CC[C@]2(CN(Cc3cccc(-c4ccco4)c3)CC[N@@H+]2C)CCC1=O ZINC000095376168 208170177 /nfs/dbraw/zinc/17/01/77/208170177.db2.gz PQSSYYUEGDHPKR-QHCPKHFHSA-N 1 0 381.520 3.465 50 0 GGAARO CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)no1 ZINC000095381121 208171272 /nfs/dbraw/zinc/17/12/72/208171272.db2.gz NZMXAHWUJZPRQH-QFBILLFUSA-N 1 0 379.504 3.331 50 0 GGAARO COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1OC ZINC000095381132 208171289 /nfs/dbraw/zinc/17/12/89/208171289.db2.gz RNLBBWNZJLFVNS-YLJYHZDGSA-N 1 0 380.488 3.440 50 0 GGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000095383813 208171749 /nfs/dbraw/zinc/17/17/49/208171749.db2.gz KQVDNUARRBHDNB-OAQYLSRUSA-N 1 0 383.492 3.094 50 0 GGAARO COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1 ZINC000095378811 208171773 /nfs/dbraw/zinc/17/17/73/208171773.db2.gz MIRQZTXGMWMAST-WEPWYQGCSA-N 1 0 377.488 3.340 50 0 GGAARO Cc1ccccc1C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095380714 208172298 /nfs/dbraw/zinc/17/22/98/208172298.db2.gz BMEPMJANHCRFOS-WWPVKYPJSA-N 1 0 390.483 3.426 50 0 GGAARO COc1ccccc1OCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095382680 208172596 /nfs/dbraw/zinc/17/25/96/208172596.db2.gz YMOCMFGBQSEUKI-WOJBJXKFSA-N 1 0 380.488 3.197 50 0 GGAARO CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)ccn1 ZINC000095380985 208172733 /nfs/dbraw/zinc/17/27/33/208172733.db2.gz PKDJFMJIXHCIKM-GHTZIAJQSA-N 1 0 379.504 3.389 50 0 GGAARO COc1cccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000095383590 208172911 /nfs/dbraw/zinc/17/29/11/208172911.db2.gz UJUQITUGNGTDPK-BHDDXSALSA-N 1 0 378.472 3.103 50 0 GGAARO Cn1nc(-c2ccccc2)cc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095383036 208172969 /nfs/dbraw/zinc/17/29/69/208172969.db2.gz LWXOWVOASDNOLV-UYAOXDASSA-N 1 0 378.520 3.424 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095380427 208173552 /nfs/dbraw/zinc/17/35/52/208173552.db2.gz LHBMBSNFTISNSM-LEWJYISDSA-N 1 0 380.536 3.093 50 0 GGAARO O=C(CCc1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095379678 208173638 /nfs/dbraw/zinc/17/36/38/208173638.db2.gz WKOHTGDJDVYVAH-MDNUFGMLSA-N 1 0 379.479 3.242 50 0 GGAARO c1cnn(Cc2ccccc2C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1 ZINC000095383906 208173689 /nfs/dbraw/zinc/17/36/89/208173689.db2.gz SDWAGYQQIQTAKR-GBXCKJPGSA-N 1 0 387.531 3.423 50 0 GGAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc(-c3ccccc3)no2)C1 ZINC000095383345 208173806 /nfs/dbraw/zinc/17/38/06/208173806.db2.gz SQUQMXSDKDXTMI-PKOBYXMFSA-N 1 0 377.492 3.470 50 0 GGAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000091876869 208141112 /nfs/dbraw/zinc/14/11/12/208141112.db2.gz JWPVOMZIJJYTES-UHFFFAOYSA-N 1 0 378.398 3.048 50 0 GGAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C[C@H]1CCCO ZINC000091892923 208142296 /nfs/dbraw/zinc/14/22/96/208142296.db2.gz JYHLQVHVKWJBBY-MJGOQNOKSA-N 1 0 393.959 3.105 50 0 GGAARO CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)cn1 ZINC000091915149 208142369 /nfs/dbraw/zinc/14/23/69/208142369.db2.gz PBIFMJBKFLRDFM-UHFFFAOYSA-N 1 0 380.536 3.350 50 0 GGAARO COc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091914936 208142379 /nfs/dbraw/zinc/14/23/79/208142379.db2.gz CFELKBMUCWGXRR-IBGZPJMESA-N 1 0 390.499 3.218 50 0 GGAARO CC(C)c1cc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)on1 ZINC000091894449 208142450 /nfs/dbraw/zinc/14/24/50/208142450.db2.gz ZJZCSNDJMRWZIX-KRWDZBQOSA-N 1 0 375.513 3.182 50 0 GGAARO CCn1cncc1C[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091986689 208142977 /nfs/dbraw/zinc/14/29/77/208142977.db2.gz WXSQKWHOWOLKRE-UHFFFAOYSA-N 1 0 388.462 3.196 50 0 GGAARO C[NH+]1CCC(O)(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000091966020 208143190 /nfs/dbraw/zinc/14/31/90/208143190.db2.gz JGDYLGSTOSZPAN-UHFFFAOYSA-N 1 0 378.516 3.052 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1nc3ccccc3nc1C)CC2 ZINC000091932963 208143618 /nfs/dbraw/zinc/14/36/18/208143618.db2.gz QDOSRPIHOAAZHX-UHFFFAOYSA-N 1 0 396.535 3.179 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c(C)c1 ZINC000092028143 208146711 /nfs/dbraw/zinc/14/67/11/208146711.db2.gz BQCDZVOLJIYLKH-OAQYLSRUSA-N 1 0 386.536 3.387 50 0 GGAARO CC[C@H](C[NH+](C)C)NC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000092062106 208146978 /nfs/dbraw/zinc/14/69/78/208146978.db2.gz LNGQTQZQBAHMRM-CYBMUJFWSA-N 1 0 388.493 3.242 50 0 GGAARO O=C(C[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1)N1CCCCCC1 ZINC000092004219 208147228 /nfs/dbraw/zinc/14/72/28/208147228.db2.gz FFXQNDFFJDMSNV-UHFFFAOYSA-N 1 0 397.563 3.294 50 0 GGAARO CN1CC[C@@]2(CN(c3nc4ccc(Cl)cc4s3)CC[N@@H+]2C)CCC1=O ZINC000092046652 208147244 /nfs/dbraw/zinc/14/72/44/208147244.db2.gz JWNKKOUJKKUMKN-GOSISDBHSA-N 1 0 378.929 3.083 50 0 GGAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)CCc2ccc(-c3ccccc3)cc2)C1 ZINC000092019541 208147779 /nfs/dbraw/zinc/14/77/79/208147779.db2.gz PPSXHKKFUSSLQM-RTWAWAEBSA-N 1 0 380.532 3.305 50 0 GGAARO O=C(c1ccccc1Oc1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091998139 208147958 /nfs/dbraw/zinc/14/79/58/208147958.db2.gz WRJZKMLSAPTNGK-RTBURBONSA-N 1 0 380.488 3.255 50 0 GGAARO COc1ccc(-c2cc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)[nH]n2)cc1 ZINC000092078300 208150668 /nfs/dbraw/zinc/15/06/68/208150668.db2.gz UVEPLIIGHUXSCK-IBGZPJMESA-N 1 0 390.487 3.305 50 0 GGAARO O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCN(Cc2ccccc2F)CC1 ZINC000095386185 208175340 /nfs/dbraw/zinc/17/53/40/208175340.db2.gz UQGUGASORMEPHV-HXUWFJFHSA-N 1 0 381.495 3.251 50 0 GGAARO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c(F)c1F ZINC000095356229 208156696 /nfs/dbraw/zinc/15/66/96/208156696.db2.gz FAQQBWFTOCXGPQ-INIZCTEOSA-N 1 0 386.450 3.026 50 0 GGAARO CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095352549 208157218 /nfs/dbraw/zinc/15/72/18/208157218.db2.gz XJECFNRREJWXET-GOSISDBHSA-N 1 0 376.460 3.476 50 0 GGAARO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](CCn3cnnc3)C2)cc1Cl ZINC000095505123 208206128 /nfs/dbraw/zinc/20/61/28/208206128.db2.gz APKPTJAKUKFZHO-OAHLLOKOSA-N 1 0 391.903 3.071 50 0 GGAARO CC(=O)N[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3F)c2)C[C@H]1c1ccc(C)o1 ZINC000095506727 208206393 /nfs/dbraw/zinc/20/63/93/208206393.db2.gz ITKQFVDYVYUJMT-IEBWSBKVSA-N 1 0 382.439 3.017 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)Nc1ccccc1-n1cccn1 ZINC000095506759 208207597 /nfs/dbraw/zinc/20/75/97/208207597.db2.gz OLDKDSGPCKCYHP-KRWDZBQOSA-N 1 0 379.464 3.499 50 0 GGAARO O=C(C1CC1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095505316 208207749 /nfs/dbraw/zinc/20/77/49/208207749.db2.gz VVMKZFPBNBJTRY-HSZRJFAPSA-N 1 0 382.548 3.283 50 0 GGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccn1C(C)C)CC2 ZINC000095506734 208207934 /nfs/dbraw/zinc/20/79/34/208207934.db2.gz USMGFKKPHCXOBQ-UHFFFAOYSA-N 1 0 383.540 3.438 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cn[nH]c2)CC1 ZINC000095506767 208208200 /nfs/dbraw/zinc/20/82/00/208208200.db2.gz DWJLXLASOPTCLN-JOCHJYFZSA-N 1 0 396.535 3.252 50 0 GGAARO O=C(Cc1ccccn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095505498 208208206 /nfs/dbraw/zinc/20/82/06/208208206.db2.gz LIOGTNUAYDFYFO-QFIPXVFZSA-N 1 0 385.552 3.286 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000095506754 208208273 /nfs/dbraw/zinc/20/82/73/208208273.db2.gz OGBNNWBGGPXVBX-HNNXBMFYSA-N 1 0 385.537 3.397 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cncnc1C ZINC000095505915 208208917 /nfs/dbraw/zinc/20/89/17/208208917.db2.gz GMVBQLFDIVPMKX-IBGZPJMESA-N 1 0 384.499 3.341 50 0 GGAARO CC(=O)C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095509754 208209587 /nfs/dbraw/zinc/20/95/87/208209587.db2.gz BXAROJGQKSMPPA-UHFFFAOYSA-N 1 0 379.504 3.220 50 0 GGAARO CN(C)c1ccc(C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)cn1 ZINC000095508231 208209736 /nfs/dbraw/zinc/20/97/36/208209736.db2.gz HRFCHXHFUBRRON-UHFFFAOYSA-N 1 0 378.520 3.162 50 0 GGAARO CS(=O)(=O)c1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc1 ZINC000095385911 208175362 /nfs/dbraw/zinc/17/53/62/208175362.db2.gz ANTPDYJSQSYHTO-LEWJYISDSA-N 1 0 384.545 3.187 50 0 GGAARO CSc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cc1 ZINC000095390263 208176050 /nfs/dbraw/zinc/17/60/50/208176050.db2.gz LKCCQTDSTBXKSW-KRWDZBQOSA-N 1 0 382.537 3.161 50 0 GGAARO O=C(c1ccccc1-c1ncc[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095387826 208176248 /nfs/dbraw/zinc/17/62/48/208176248.db2.gz NHIHBGCUECHXJT-RBUKOAKNSA-N 1 0 387.487 3.208 50 0 GGAARO O=C(c1cc(=O)[nH]c2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095385135 208176567 /nfs/dbraw/zinc/17/65/67/208176567.db2.gz WDPPFBXBPXYYHU-RTBURBONSA-N 1 0 387.483 3.265 50 0 GGAARO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095389472 208176665 /nfs/dbraw/zinc/17/66/65/208176665.db2.gz GEQJLWOAMMTSLN-KBXCAEBGSA-N 1 0 383.442 3.064 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000095386884 208176786 /nfs/dbraw/zinc/17/67/86/208176786.db2.gz PCCYNLUYARDWIN-AWEZNQCLSA-N 1 0 378.879 3.257 50 0 GGAARO COc1cccc([C@H]2CNC(=O)c3[nH]c(-c4cccc(C[NH+](C)C)c4)nc3C2)c1 ZINC000095390556 208177169 /nfs/dbraw/zinc/17/71/69/208177169.db2.gz CAMLSEAYRQGBQY-GOSISDBHSA-N 1 0 390.487 3.217 50 0 GGAARO COc1cc(F)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1OC ZINC000095387537 208177184 /nfs/dbraw/zinc/17/71/84/208177184.db2.gz JWHXCZFJHITGEE-PKOBYXMFSA-N 1 0 385.483 3.334 50 0 GGAARO CSc1ccc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)cc1 ZINC000095390901 208177975 /nfs/dbraw/zinc/17/79/75/208177975.db2.gz IRUAAZUVBOASEX-ZWKOTPCHSA-N 1 0 384.549 3.106 50 0 GGAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000095508389 208210128 /nfs/dbraw/zinc/21/01/28/208210128.db2.gz GGOXMWSGQIVLEC-UHFFFAOYSA-N 1 0 384.911 3.349 50 0 GGAARO OCCOc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095392830 208179072 /nfs/dbraw/zinc/17/90/72/208179072.db2.gz FZSJGLKISAZSHT-SIKLNZKXSA-N 1 0 384.495 3.293 50 0 GGAARO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n(C)n1 ZINC000095391044 208179937 /nfs/dbraw/zinc/17/99/37/208179937.db2.gz YHLRPDXHYPIBGK-FXAWDEMLSA-N 1 0 392.547 3.247 50 0 GGAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@@H]1CCOc2ccccc2C1 ZINC000095508689 208210341 /nfs/dbraw/zinc/21/03/41/208210341.db2.gz QGIFYEZIVWGQAK-LJQANCHMSA-N 1 0 380.488 3.114 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000095509674 208210476 /nfs/dbraw/zinc/21/04/76/208210476.db2.gz SPLPMIHGYDCARI-KRWDZBQOSA-N 1 0 384.499 3.022 50 0 GGAARO COc1cn(CC(=O)NC2CCCCCCC2)c(C[NH+]2CCCCC2)cc1=O ZINC000095472330 208190303 /nfs/dbraw/zinc/19/03/03/208190303.db2.gz WGJHGIOTBWQGMS-UHFFFAOYSA-N 1 0 389.540 3.072 50 0 GGAARO CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000095480600 208195909 /nfs/dbraw/zinc/19/59/09/208195909.db2.gz NWZZTGRVCSKUQD-INIZCTEOSA-N 1 0 393.601 3.052 50 0 GGAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)[C@H]1CCOc2ccccc2C1 ZINC000095508690 208210640 /nfs/dbraw/zinc/21/06/40/208210640.db2.gz QGIFYEZIVWGQAK-IBGZPJMESA-N 1 0 380.488 3.114 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c(C)c1 ZINC000095497294 208197136 /nfs/dbraw/zinc/19/71/36/208197136.db2.gz VLPLRMVRZZZUHM-SFHVURJKSA-N 1 0 384.524 3.172 50 0 GGAARO O=C(c1ccn[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095496828 208197316 /nfs/dbraw/zinc/19/73/16/208197316.db2.gz RCZLTIUVLXVASZ-LJQANCHMSA-N 1 0 381.524 3.492 50 0 GGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(F)cc(F)c1)CC2 ZINC000095497796 208198170 /nfs/dbraw/zinc/19/81/70/208198170.db2.gz WUWJKPQEKHVLPS-UHFFFAOYSA-N 1 0 388.462 3.334 50 0 GGAARO O=C(Cc1ccncc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095498709 208198659 /nfs/dbraw/zinc/19/86/59/208198659.db2.gz DRXJQTFMRSXYKF-QFIPXVFZSA-N 1 0 385.552 3.286 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1c[nH]cn1 ZINC000095498210 208199065 /nfs/dbraw/zinc/19/90/65/208199065.db2.gz KMSXSUUBFSJNAT-UHFFFAOYSA-N 1 0 394.441 3.455 50 0 GGAARO O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000095499234 208200232 /nfs/dbraw/zinc/20/02/32/208200232.db2.gz LKBGDIUVFNXGSP-HXUWFJFHSA-N 1 0 386.923 3.435 50 0 GGAARO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCC(F)(F)CC2)ccc1OC ZINC000095499792 208202271 /nfs/dbraw/zinc/20/22/71/208202271.db2.gz BWSPYEBDTVIUCT-KRWDZBQOSA-N 1 0 386.483 3.008 50 0 GGAARO CC(=O)N[C@H]1CC[N@@H+](C2CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC000095503621 208202896 /nfs/dbraw/zinc/20/28/96/208202896.db2.gz QCDTZGNIWIABCQ-AWEZNQCLSA-N 1 0 378.929 3.129 50 0 GGAARO C[C@H](CO)N(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095503472 208203651 /nfs/dbraw/zinc/20/36/51/208203651.db2.gz FUMGNLRDFAWCLV-LJQANCHMSA-N 1 0 396.531 3.225 50 0 GGAARO Cc1nc(CN(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)n(C)n1 ZINC000095504800 208203850 /nfs/dbraw/zinc/20/38/50/208203850.db2.gz ZPLZHXKSBFVSID-UHFFFAOYSA-N 1 0 375.948 3.163 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)[C@@H]1CCCCO1 ZINC000095503296 208203876 /nfs/dbraw/zinc/20/38/76/208203876.db2.gz XBDNNRYPBXVIKH-NRFANRHFSA-N 1 0 392.515 3.082 50 0 GGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4ncccc4c3)C2)N1Cc1cscn1 ZINC000095503839 208204449 /nfs/dbraw/zinc/20/44/49/208204449.db2.gz IUGMFILXHISJBX-PKOBYXMFSA-N 1 0 378.501 3.314 50 0 GGAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccc1SC)CC2 ZINC000095508560 208211508 /nfs/dbraw/zinc/21/15/08/208211508.db2.gz CYTBUWGDZNQJQA-UHFFFAOYSA-N 1 0 384.549 3.418 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccc(=O)n(C)c1 ZINC000095510142 208211744 /nfs/dbraw/zinc/21/17/44/208211744.db2.gz ZUECTSJPXGYMNY-UHFFFAOYSA-N 1 0 395.547 3.111 50 0 GGAARO C[C@@H](O)CNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000095513217 208212256 /nfs/dbraw/zinc/21/22/56/208212256.db2.gz BZUUWFBWDGEAHZ-CQSZACIVSA-N 1 0 382.932 3.340 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnc(C)nc1 ZINC000095512997 208212439 /nfs/dbraw/zinc/21/24/39/208212439.db2.gz FEOFXWRJQLDUAE-HXUWFJFHSA-N 1 0 396.535 3.210 50 0 GGAARO O=C(NCc1ccccn1)C1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095510858 208212499 /nfs/dbraw/zinc/21/24/99/208212499.db2.gz RSSPHTANGSIBTQ-GOSISDBHSA-N 1 0 379.504 3.051 50 0 GGAARO CCc1ocnc1C(=O)N(CCc1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000095511172 208214008 /nfs/dbraw/zinc/21/40/08/208214008.db2.gz YMJOVZQONOVGCV-UHFFFAOYSA-N 1 0 385.508 3.272 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)NCc2ccccc2F)C1 ZINC000095513000 208214139 /nfs/dbraw/zinc/21/41/39/208214139.db2.gz VCDXKCAHHFKKPX-SFHVURJKSA-N 1 0 387.503 3.063 50 0 GGAARO C[NH+]1CCC(CNC(=O)[C@H]2CCOc3ccccc3C2)(c2ccccc2)CC1 ZINC000095517285 208216051 /nfs/dbraw/zinc/21/60/51/208216051.db2.gz JEUXEWJZKHEBHY-FQEVSTJZSA-N 1 0 378.516 3.408 50 0 GGAARO C[N@H+](C[C@H](O)COc1cccc(CN2CCOC(C)(C)C2)c1)C1CCCCC1 ZINC000095517238 208216063 /nfs/dbraw/zinc/21/60/63/208216063.db2.gz DXJJNYPSCPVPDK-NRFANRHFSA-N 1 0 390.568 3.302 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@H]2[NH+](C)C)cc1 ZINC000095518163 208216247 /nfs/dbraw/zinc/21/62/47/208216247.db2.gz IJQJOOMCGOGGQT-RBBKRZOGSA-N 1 0 375.472 3.413 50 0 GGAARO COc1cccc2c1OC[C@@H](C[NH2+]C1CCN(C(=O)c3ccccc3)CC1)C2 ZINC000095519461 208216582 /nfs/dbraw/zinc/21/65/82/208216582.db2.gz BZPNCUQHCKHODU-QGZVFWFLSA-N 1 0 380.488 3.141 50 0 GGAARO C[NH+]1CCC(CNC(=O)[C@@H]2CCOc3ccccc3C2)(c2ccccc2)CC1 ZINC000095517284 208217103 /nfs/dbraw/zinc/21/71/03/208217103.db2.gz JEUXEWJZKHEBHY-HXUWFJFHSA-N 1 0 378.516 3.408 50 0 GGAARO COCc1cccc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)n1 ZINC000095517130 208217440 /nfs/dbraw/zinc/21/74/40/208217440.db2.gz CFJSJLMZEOOXLP-LJQANCHMSA-N 1 0 379.504 3.322 50 0 GGAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000095518997 208217466 /nfs/dbraw/zinc/21/74/66/208217466.db2.gz FLENIBIDKTZMJA-AWEZNQCLSA-N 1 0 385.580 3.012 50 0 GGAARO COCc1cccc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)n1 ZINC000095517131 208217736 /nfs/dbraw/zinc/21/77/36/208217736.db2.gz CFJSJLMZEOOXLP-IBGZPJMESA-N 1 0 379.504 3.322 50 0 GGAARO CCc1ocnc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000095517619 208217828 /nfs/dbraw/zinc/21/78/28/208217828.db2.gz WAEFHQFVBHBLEY-QGZVFWFLSA-N 1 0 385.508 3.272 50 0 GGAARO CCOc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095521062 208220442 /nfs/dbraw/zinc/22/04/42/208220442.db2.gz UWWSXTGAQIBALD-LJQANCHMSA-N 1 0 384.524 3.253 50 0 GGAARO Cc1nc(CNC(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)no1 ZINC000095522481 208221480 /nfs/dbraw/zinc/22/14/80/208221480.db2.gz VEMYXROTUFKRTP-UHFFFAOYSA-N 1 0 386.496 3.197 50 0 GGAARO COc1ccc(CN2CCC(F)(F)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095522648 208221723 /nfs/dbraw/zinc/22/17/23/208221723.db2.gz FQBDRJQRFNCLHM-QGZVFWFLSA-N 1 0 386.483 3.006 50 0 GGAARO Cn1c(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)nc2ccccc21 ZINC000095525030 208222942 /nfs/dbraw/zinc/22/29/42/208222942.db2.gz ZRDPCNLUQLQHLN-QGZVFWFLSA-N 1 0 380.492 3.127 50 0 GGAARO C[N@H+](Cc1cnc(N)nc1)C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095524168 208223146 /nfs/dbraw/zinc/22/31/46/208223146.db2.gz XSBGXPNRDYXYTH-UHFFFAOYSA-N 1 0 388.928 3.423 50 0 GGAARO COc1ccc(C(=O)N[C@@H]2CCSC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095524677 208223977 /nfs/dbraw/zinc/22/39/77/208223977.db2.gz WEZULJUKBUJLEP-MRXNPFEDSA-N 1 0 378.538 3.182 50 0 GGAARO COc1ccc(-c2ccccc2NC(=O)NCCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000095524942 208224092 /nfs/dbraw/zinc/22/40/92/208224092.db2.gz FQAYTAJVSHICRC-SFHVURJKSA-N 1 0 383.492 3.331 50 0 GGAARO COc1cccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)c1 ZINC000095525309 208224584 /nfs/dbraw/zinc/22/45/84/208224584.db2.gz XKJADDFKKHYMNB-UHFFFAOYSA-N 1 0 382.508 3.064 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cc1cnccn1 ZINC000095527830 208225144 /nfs/dbraw/zinc/22/51/44/208225144.db2.gz MQAOOJBWYFFEKT-SFHVURJKSA-N 1 0 386.927 3.086 50 0 GGAARO C[NH+](C)C[C@H]1COCCN(C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000095528307 208225951 /nfs/dbraw/zinc/22/59/51/208225951.db2.gz GHEDCLLJSKRXDK-LJQANCHMSA-N 1 0 383.492 3.308 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1)c1cccnc1 ZINC000095527251 208227552 /nfs/dbraw/zinc/22/75/52/208227552.db2.gz RDRUYVGYOLWYOF-KRWDZBQOSA-N 1 0 376.460 3.379 50 0 GGAARO CC(C)CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000095527000 208227931 /nfs/dbraw/zinc/22/79/31/208227931.db2.gz CWANITXFXDBJHN-UHFFFAOYSA-N 1 0 382.508 3.144 50 0 GGAARO Cc1ncn(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c1C ZINC000095530413 208228772 /nfs/dbraw/zinc/22/87/72/208228772.db2.gz DPYLHXNCIAPJPW-OAQYLSRUSA-N 1 0 382.552 3.221 50 0 GGAARO Cc1cc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)ccc1F ZINC000095531706 208229309 /nfs/dbraw/zinc/22/93/09/208229309.db2.gz LOUCDMYKRLTUBD-UHFFFAOYSA-N 1 0 382.483 3.143 50 0 GGAARO C[C@@H](C(N)=O)[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095530658 208229747 /nfs/dbraw/zinc/22/97/47/208229747.db2.gz LPOYRYTZTNQIGF-AWEZNQCLSA-N 1 0 385.439 3.142 50 0 GGAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000095531269 208230793 /nfs/dbraw/zinc/23/07/93/208230793.db2.gz XDKDXRGTQZWGDM-JOCHJYFZSA-N 1 0 398.547 3.169 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccnc3ccccc32)C1 ZINC000095529051 208230946 /nfs/dbraw/zinc/23/09/46/208230946.db2.gz HQQLUNUPIOHHJP-QGZVFWFLSA-N 1 0 377.492 3.013 50 0 GGAARO C[C@H](C(N)=O)[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095530659 208231099 /nfs/dbraw/zinc/23/10/99/208231099.db2.gz LPOYRYTZTNQIGF-CQSZACIVSA-N 1 0 385.439 3.142 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cccn1C ZINC000096141426 208271541 /nfs/dbraw/zinc/27/15/41/208271541.db2.gz SJSIQDSBNQYMEH-FQEVSTJZSA-N 1 0 383.536 3.451 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cccn1C ZINC000096141425 208271597 /nfs/dbraw/zinc/27/15/97/208271597.db2.gz SJSIQDSBNQYMEH-HXUWFJFHSA-N 1 0 383.536 3.451 50 0 GGAARO O=C(Nc1ccnn1Cc1ccccc1)NC1CC[NH+](Cc2ccco2)CC1 ZINC000096148632 208272883 /nfs/dbraw/zinc/27/28/83/208272883.db2.gz FFWOHRZURBRSNU-UHFFFAOYSA-N 1 0 379.464 3.311 50 0 GGAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C ZINC000096148415 208273427 /nfs/dbraw/zinc/27/34/27/208273427.db2.gz KPTPGTUNXXUTCK-UHFFFAOYSA-N 1 0 384.915 3.401 50 0 GGAARO COc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)ccn1 ZINC000096148318 208274693 /nfs/dbraw/zinc/27/46/93/208274693.db2.gz IBHGCGLVOCTXHO-FQEVSTJZSA-N 1 0 379.504 3.432 50 0 GGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC000096152353 208275470 /nfs/dbraw/zinc/27/54/70/208275470.db2.gz KLEMQYBBOXRMOO-FQEVSTJZSA-N 1 0 378.520 3.137 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000096152310 208275768 /nfs/dbraw/zinc/27/57/68/208275768.db2.gz MPZZSPGKHHEMDU-SFHVURJKSA-N 1 0 375.472 3.138 50 0 GGAARO Cc1cnn(CCC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c1 ZINC000096151323 208275804 /nfs/dbraw/zinc/27/58/04/208275804.db2.gz RGAGTJHFKSNTEY-OAQYLSRUSA-N 1 0 380.536 3.310 50 0 GGAARO O=C(Nc1cccc(-n2cncn2)c1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000096150303 208276426 /nfs/dbraw/zinc/27/64/26/208276426.db2.gz RQFDUTVMFNXNMS-INIZCTEOSA-N 1 0 382.493 3.115 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000096152309 208277064 /nfs/dbraw/zinc/27/70/64/208277064.db2.gz MPZZSPGKHHEMDU-GOSISDBHSA-N 1 0 375.472 3.138 50 0 GGAARO CCCCCOc1ccc(NC(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)cc1 ZINC000096152068 208277168 /nfs/dbraw/zinc/27/71/68/208277168.db2.gz UTAXIKQBMGYKNP-UHFFFAOYSA-N 1 0 388.556 3.499 50 0 GGAARO CCc1ccccc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2CC)CC1 ZINC000096160188 208278592 /nfs/dbraw/zinc/27/85/92/208278592.db2.gz UIRDYPDKKQNHDD-UHFFFAOYSA-N 1 0 378.524 3.485 50 0 GGAARO C[NH+]1CCN(CCNC(=O)Nc2ccc3oc(-c4ccccc4)cc3c2)CC1 ZINC000096160733 208279282 /nfs/dbraw/zinc/27/92/82/208279282.db2.gz ZXURAQWEICIPRZ-UHFFFAOYSA-N 1 0 378.476 3.469 50 0 GGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000096132016 208266578 /nfs/dbraw/zinc/26/65/78/208266578.db2.gz ROEFKBZIEMQOPD-UHFFFAOYSA-N 1 0 382.487 3.370 50 0 GGAARO Cc1c(C[N@H+](C)C2CCN(c3nnc(-c4ccccc4)s3)CC2)cnn1C ZINC000096131661 208267108 /nfs/dbraw/zinc/26/71/08/208267108.db2.gz NGDCHBRAMCEPDL-UHFFFAOYSA-N 1 0 382.537 3.348 50 0 GGAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000096137324 208267892 /nfs/dbraw/zinc/26/78/92/208267892.db2.gz VSQHACNOKPMMLC-LJQANCHMSA-N 1 0 377.492 3.202 50 0 GGAARO Cc1nc2c(c(NCCCOC3CC[NH+](C)CC3)n1)Cc1ccccc1OC2 ZINC000096137788 208269138 /nfs/dbraw/zinc/26/91/38/208269138.db2.gz XXYAOHNNFLSJJN-UHFFFAOYSA-N 1 0 382.508 3.181 50 0 GGAARO COc1ccc(-n2nc(C3(c4ccccc4)CC3)nc2[C@H]2C[NH2+]CCO2)cc1 ZINC000096141567 208270944 /nfs/dbraw/zinc/27/09/44/208270944.db2.gz XMYYMNWIGZBPRN-LJQANCHMSA-N 1 0 376.460 3.017 50 0 GGAARO COc1c[nH]c(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)cc1=O ZINC000096162212 208281416 /nfs/dbraw/zinc/28/14/16/208281416.db2.gz ORZKTODXYFLVRB-IBGZPJMESA-N 1 0 395.503 3.024 50 0 GGAARO CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)C[N@@H+]1CC1CCCCC1 ZINC000096164142 208281571 /nfs/dbraw/zinc/28/15/71/208281571.db2.gz CUJCVPCTHPWXJD-SJORKVTESA-N 1 0 377.554 3.026 50 0 GGAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)n1C ZINC000096162277 208281701 /nfs/dbraw/zinc/28/17/01/208281701.db2.gz QJSBLKNOMKCJGJ-UHFFFAOYSA-N 1 0 389.507 3.229 50 0 GGAARO Cn1nc2c(c1NC(=O)NCCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000096165377 208282162 /nfs/dbraw/zinc/28/21/62/208282162.db2.gz TYGZOCALLSJAPE-UHFFFAOYSA-N 1 0 381.524 3.333 50 0 GGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000096161881 208282328 /nfs/dbraw/zinc/28/23/28/208282328.db2.gz SRNBVFYNCYAFDH-UHFFFAOYSA-N 1 0 386.450 3.201 50 0 GGAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1-c1ncc[nH]1 ZINC000097307489 208342866 /nfs/dbraw/zinc/34/28/66/208342866.db2.gz DVZBABPNCAZQRP-FQEVSTJZSA-N 1 0 375.476 3.429 50 0 GGAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc(-c2ccccc2F)n[nH]1 ZINC000097294579 208343505 /nfs/dbraw/zinc/34/35/05/208343505.db2.gz WWXWBZUGEDBZHW-HNNXBMFYSA-N 1 0 378.451 3.392 50 0 GGAARO Cc1cccn2c(CC(=O)NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)cnc12 ZINC000097288773 208343742 /nfs/dbraw/zinc/34/37/42/208343742.db2.gz YVIMFLKOHWMNOJ-HXUWFJFHSA-N 1 0 376.504 3.181 50 0 GGAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cnc(-c2ccncc2)nc1 ZINC000097307394 208343939 /nfs/dbraw/zinc/34/39/39/208343939.db2.gz IIENSCIPOOOQBR-UHFFFAOYSA-N 1 0 391.450 3.072 50 0 GGAARO COc1ccc2c(cc(C(=O)N[C@H](C)C[N@@H+]3CCc4ccccc4C3)n2C)c1 ZINC000097468526 208353679 /nfs/dbraw/zinc/35/36/79/208353679.db2.gz XENLDTFQTAECJR-MRXNPFEDSA-N 1 0 377.488 3.364 50 0 GGAARO O=C(CCc1cn2ccccc2n1)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097436764 208355132 /nfs/dbraw/zinc/35/51/32/208355132.db2.gz YYPPBIYUQPPTLF-HXUWFJFHSA-N 1 0 377.492 3.005 50 0 GGAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000097436810 208355849 /nfs/dbraw/zinc/35/58/49/208355849.db2.gz HFHOKJGHBLJYKQ-NRFANRHFSA-N 1 0 375.476 3.224 50 0 GGAARO Cc1cnc2c(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCCC3)cnn2c1 ZINC000097527841 208357919 /nfs/dbraw/zinc/35/79/19/208357919.db2.gz CUEHIGWKOSZNAU-HXUWFJFHSA-N 1 0 377.492 3.385 50 0 GGAARO CCC[NH+]1CCC2(CCN(C(=O)c3ccc(CSC)o3)C[C@H]2CO)CC1 ZINC000097756343 208360833 /nfs/dbraw/zinc/36/08/33/208360833.db2.gz GBTIOQTYPCLNDM-INIZCTEOSA-N 1 0 380.554 3.089 50 0 GGAARO CCC[NH+]1CCC2(CCN(C(=O)Cc3cccc(Cl)c3)C[C@H]2CO)CC1 ZINC000097679969 208360926 /nfs/dbraw/zinc/36/09/26/208360926.db2.gz LDGHHJFNIZEHSE-SFHVURJKSA-N 1 0 378.944 3.216 50 0 GGAARO O=C(Nc1ccc(-c2nnc(-c3ccco3)o2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097730258 208361054 /nfs/dbraw/zinc/36/10/54/208361054.db2.gz VIFNQPDCTKKWGH-CVEARBPZSA-N 1 0 379.420 3.355 50 0 GGAARO Cc1cc2nc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)cc(C)n2n1 ZINC000097711740 208361930 /nfs/dbraw/zinc/36/19/30/208361930.db2.gz MGZHKTVTWSSTOI-LJQANCHMSA-N 1 0 381.455 3.052 50 0 GGAARO COc1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100183415 208374439 /nfs/dbraw/zinc/37/44/39/208374439.db2.gz QUYPBQCVCNEKBP-FQEVSTJZSA-N 1 0 397.450 3.043 50 0 GGAARO N=c1c2c(ncn1CCCn1ccnc1)Oc1cc(O)ccc1[C@@H]2c1ccco1 ZINC000101355132 208391392 /nfs/dbraw/zinc/39/13/92/208391392.db2.gz ZLVBRMQYCVJVLY-GOSISDBHSA-N 1 0 389.415 3.234 50 0 GGAARO CC(C)Oc1ccc2ccccc2c1CNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101687168 208396525 /nfs/dbraw/zinc/39/65/25/208396525.db2.gz JVTMGGPNCOUOIR-UHFFFAOYSA-N 1 0 395.503 3.199 50 0 GGAARO COc1ccc(CC[NH2+]CC(=O)Nc2cc(C)nc3ccccc32)cc1OC ZINC000003023913 208506014 /nfs/dbraw/zinc/50/60/14/208506014.db2.gz IYOVEKWORFPRGG-UHFFFAOYSA-N 1 0 379.460 3.331 50 0 biogenic GGAARO COc1ccc(C(=O)NCCn2cc(SC(N)=[NH2+])c3ccccc32)cc1OC ZINC000003851018 208516646 /nfs/dbraw/zinc/51/66/46/208516646.db2.gz TZLHIXQYFVLKQF-UHFFFAOYSA-N 1 0 398.488 3.074 50 0 GGAARO CCOc1ccc(C(=O)NCCn2cc(SC(N)=[NH2+])c3ccccc32)cc1 ZINC000003851015 208517255 /nfs/dbraw/zinc/51/72/55/208517255.db2.gz FBRVBTNINQORJO-UHFFFAOYSA-N 1 0 382.489 3.456 50 0 GGAARO CC1(C)CC(O)CC(C)(C)[NH+]1C[C@@H](O)COc1ccccc1Br ZINC000004993842 208547073 /nfs/dbraw/zinc/54/70/73/208547073.db2.gz LTXJXWCHJOTTMR-CQSZACIVSA-N 1 0 386.330 3.203 50 0 GGAARO COc1cccc(-c2cc3n(n2)[C@H]([NH2+]CCCc2ccccc2)CNC3=O)c1 ZINC000169754532 208736136 /nfs/dbraw/zinc/73/61/36/208736136.db2.gz YSKOWYCWZIAWFF-NRFANRHFSA-N 1 0 376.460 3.023 50 0 GGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C=C12 ZINC000012659859 208772182 /nfs/dbraw/zinc/77/21/82/208772182.db2.gz BDWBILALDYSMLA-JFQNMGATSA-N 1 0 375.509 3.140 50 0 biogenic GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)n(C)n1 ZINC000012229363 208767631 /nfs/dbraw/zinc/76/76/31/208767631.db2.gz QHAGIQJICVAXNN-UHFFFAOYSA-N 1 0 375.473 3.076 50 0 GGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOc2ccccc2Br)C1 ZINC000012276929 208768882 /nfs/dbraw/zinc/76/88/82/208768882.db2.gz VMUMPMNLXWFPPX-OWCLPIDISA-N 1 0 386.330 3.183 50 0 GGAARO COCc1nc(NCCOc2c(C)cccc2Cl)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000219152187 208843309 /nfs/dbraw/zinc/84/33/09/208843309.db2.gz MRHNIIGJGBHLRP-OKILXGFUSA-N 1 0 376.888 3.280 50 0 GGAARO COc1cc2c(cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n2C)c(OC)c1 ZINC000504240282 533151966 /nfs/dbraw/zinc/15/19/66/533151966.db2.gz JXCXYVGZJZLGQH-CRAIPNDOSA-N 1 0 385.508 3.190 50 0 GGAARO COc1cc2c(cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n2C)c(OC)c1 ZINC000504240283 533152872 /nfs/dbraw/zinc/15/28/72/533152872.db2.gz JXCXYVGZJZLGQH-QAPCUYQASA-N 1 0 385.508 3.190 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000230142947 209005557 /nfs/dbraw/zinc/00/55/57/209005557.db2.gz HSWGZGRXERJQHR-BXWFABGCSA-N 1 0 389.927 3.074 50 0 biogenic GGAARO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)N1C[C@H](C)O[C@@H](C)C1 ZINC000230154178 209005865 /nfs/dbraw/zinc/00/58/65/209005865.db2.gz BXIHDSGTNAGLAG-CMOCDZPBSA-N 1 0 393.616 3.091 50 0 GGAARO CN1CC[NH+](C2(CNC(=O)c3cccc(-c4ccncc4)c3)CCCC2)CC1 ZINC000299802253 209092198 /nfs/dbraw/zinc/09/21/98/209092198.db2.gz ZMAXZKPHIDQMAX-UHFFFAOYSA-N 1 0 378.520 3.039 50 0 GGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1ccccc1 ZINC000299791538 209091281 /nfs/dbraw/zinc/09/12/81/209091281.db2.gz GWVMFKIVTJYVBD-FPOVZHCZSA-N 1 0 383.561 3.277 50 0 GGAARO Cc1nnc(C2CCN(C(=O)[C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)CC2)[nH]1 ZINC000299796450 209091110 /nfs/dbraw/zinc/09/11/10/209091110.db2.gz QIYPUDQVSOYWFH-ZCNNSNEGSA-N 1 0 379.508 3.045 50 0 GGAARO O=C(Nc1ccc2c(c1)COC2)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000244652045 209020938 /nfs/dbraw/zinc/02/09/38/209020938.db2.gz GYTHLZZHJLSRCI-QFIPXVFZSA-N 1 0 377.488 3.424 50 0 GGAARO CN1CC2(CCC1=O)CC[NH+](CCC(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000244707797 209021662 /nfs/dbraw/zinc/02/16/62/209021662.db2.gz KHRRVAQQAQYWOO-UHFFFAOYSA-N 1 0 381.879 3.142 50 0 GGAARO O=C(CC[NH+]1CCC([C@H](O)c2ccccn2)CC1)Nc1cc(F)ccc1F ZINC000244691618 209022606 /nfs/dbraw/zinc/02/26/06/209022606.db2.gz JFZCBDPVTCCNOI-FQEVSTJZSA-N 1 0 375.419 3.134 50 0 GGAARO O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000244734936 209023043 /nfs/dbraw/zinc/02/30/43/209023043.db2.gz NODHIWXKWVCAGU-ONTIZHBOSA-N 1 0 379.504 3.310 50 0 GGAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1 ZINC000244873220 209023958 /nfs/dbraw/zinc/02/39/58/209023958.db2.gz WMBGMFBOKYXHML-ZDXQCDESSA-N 1 0 378.516 3.494 50 0 GGAARO O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000244734935 209024731 /nfs/dbraw/zinc/02/47/31/209024731.db2.gz NODHIWXKWVCAGU-KCZVDYSFSA-N 1 0 379.504 3.310 50 0 GGAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)Nc1ccc2c(c1)COC2=O ZINC000299795356 209090893 /nfs/dbraw/zinc/09/08/93/209090893.db2.gz LFVVHHCQEVSFBE-LJQANCHMSA-N 1 0 383.423 3.455 50 0 GGAARO CCCC[NH+]1CCN(C(=O)c2cccc(-c3ncc(C)c(N(C)C)n3)c2)CC1 ZINC000299793256 209090726 /nfs/dbraw/zinc/09/07/26/209090726.db2.gz IEKLCXDDOQFBPU-UHFFFAOYSA-N 1 0 381.524 3.076 50 0 GGAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@H]2OCCc3ccccc32)cc1 ZINC000299801153 209090608 /nfs/dbraw/zinc/09/06/08/209090608.db2.gz YUVKXCIDEFRFTL-NFBKMPQASA-N 1 0 394.515 3.480 50 0 GGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2nc3ccccc3n2C)c1 ZINC000299793674 209090613 /nfs/dbraw/zinc/09/06/13/209090613.db2.gz IFBFGIYZOIACJW-SFHVURJKSA-N 1 0 392.503 3.253 50 0 GGAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H]2OCCc3ccccc32)cc1 ZINC000299801160 209090591 /nfs/dbraw/zinc/09/05/91/209090591.db2.gz YUVKXCIDEFRFTL-REWPJTCUSA-N 1 0 394.515 3.480 50 0 GGAARO COCc1nc(NC2CCN(c3ccc(F)cc3)CC2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000252550811 209036715 /nfs/dbraw/zinc/03/67/15/209036715.db2.gz SYCFLCRNPGRAPT-KOMQPUFPSA-N 1 0 385.487 3.048 50 0 GGAARO COc1ccccc1-c1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n(C)n1 ZINC000252539690 209036804 /nfs/dbraw/zinc/03/68/04/209036804.db2.gz OJCSZXRGAQMWEK-LPHOPBHVSA-N 1 0 382.508 3.090 50 0 GGAARO COc1ccccc1-c1noc(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000252538981 209036854 /nfs/dbraw/zinc/03/68/54/209036854.db2.gz NOYZZEFZYSALOA-WMZOPIPTSA-N 1 0 398.507 3.059 50 0 GGAARO O=c1[nH]c(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)nc2ccsc21 ZINC000253536228 209042363 /nfs/dbraw/zinc/04/23/63/209042363.db2.gz BTDDTNXKWTXOAO-UHFFFAOYSA-N 1 0 380.517 3.072 50 0 GGAARO Cc1c[nH]c(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)c(C)c1=O ZINC000253537226 209043197 /nfs/dbraw/zinc/04/31/97/209043197.db2.gz FIMUGAVPBDMHOI-UHFFFAOYSA-N 1 0 379.504 3.201 50 0 GGAARO Cc1ccc(C(=O)N2CCC(NC(=O)C3([NH+]4CCCC4)CCCC3)CC2)cc1 ZINC000299791915 209089960 /nfs/dbraw/zinc/08/99/60/209089960.db2.gz GFNWRVVYNDAXIR-UHFFFAOYSA-N 1 0 383.536 3.124 50 0 GGAARO C[C@H](c1ccc(C(=O)NCc2nc(-c3ccccn3)no2)o1)[NH+]1CCCCC1 ZINC000299789949 209088958 /nfs/dbraw/zinc/08/89/58/209088958.db2.gz AEBDUXDHPCKMCN-CQSZACIVSA-N 1 0 381.436 3.202 50 0 GGAARO O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccccc1SCc1ccccc1F ZINC000299784448 209088990 /nfs/dbraw/zinc/08/89/90/209088990.db2.gz XOXMGJNFWLTHCX-HNNXBMFYSA-N 1 0 375.469 3.228 50 0 GGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+]1C1CSCCSC1 ZINC000012756536 221226756 /nfs/dbraw/zinc/22/67/56/221226756.db2.gz WVFQREVGQLWKNB-SFHVURJKSA-N 1 0 388.562 3.124 50 0 GGAARO COc1ccc(C(C)(C)NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000426693922 533366638 /nfs/dbraw/zinc/36/66/38/533366638.db2.gz XWMXATLUOURMCO-UHFFFAOYSA-N 1 0 375.513 3.209 50 0 GGAARO OCCOc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000039532965 132391695 /nfs/dbraw/zinc/39/16/95/132391695.db2.gz BHDMUWXRYOOSMB-QGZVFWFLSA-N 1 0 395.425 3.230 50 0 GGAARO COc1ccccc1N1CC[NH+](CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000039943763 132392016 /nfs/dbraw/zinc/39/20/16/132392016.db2.gz WFNIVNMCRUKKEY-UHFFFAOYSA-N 1 0 386.492 3.086 50 0 GGAARO Cc1cccc(-n2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057328214 132450423 /nfs/dbraw/zinc/45/04/23/132450423.db2.gz ONWXVPJSEAWCDA-UHFFFAOYSA-N 1 0 384.487 3.446 50 0 GGAARO CC[C@@H]1CN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cn2)CC[N@@H+]1C ZINC000039379504 136153738 /nfs/dbraw/zinc/15/37/38/136153738.db2.gz BOLPFFRCBVHDRG-QGZVFWFLSA-N 1 0 379.464 3.338 50 0 GGAARO CC(C)N1CCC[N@@H+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000063833351 136156524 /nfs/dbraw/zinc/15/65/24/136156524.db2.gz MNXADCGOGPRUNS-UHFFFAOYSA-N 1 0 384.568 3.198 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799780 136157706 /nfs/dbraw/zinc/15/77/06/136157706.db2.gz DRAUOGMINZPKRA-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800351 136157886 /nfs/dbraw/zinc/15/78/86/136157886.db2.gz IAPIQXYLVLZAFH-UHFFFAOYSA-N 1 0 394.523 3.356 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccccc3C)CC2)[nH+]1 ZINC000065363973 136163427 /nfs/dbraw/zinc/16/34/27/136163427.db2.gz FOYDDQPISYEEFO-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000065375807 136163757 /nfs/dbraw/zinc/16/37/57/136163757.db2.gz SDWNYXHXJDYRBL-UHFFFAOYSA-N 1 0 375.476 3.089 50 0 GGAARO CC(C)CNC(=O)c1cn(C2CCN(c3cc[nH+]c4ccccc43)CC2)nn1 ZINC000067784752 136164917 /nfs/dbraw/zinc/16/49/17/136164917.db2.gz KDUXPUNTUMLIMW-UHFFFAOYSA-N 1 0 378.480 3.054 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1)N1CCCC1 ZINC000071774812 136166729 /nfs/dbraw/zinc/16/67/29/136166729.db2.gz UMSALFXCIDXJMP-INIZCTEOSA-N 1 0 376.932 3.038 50 0 GGAARO CCCc1cncnc1N1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072158650 136167172 /nfs/dbraw/zinc/16/71/72/136167172.db2.gz DGDFTRFALIZMJM-HXUWFJFHSA-N 1 0 395.551 3.229 50 0 GGAARO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)CC[NH+]3CCCC3)cc2c1 ZINC000072422200 136169819 /nfs/dbraw/zinc/16/98/19/136169819.db2.gz CAOIOFMBAXSYCT-OAQYLSRUSA-N 1 0 382.552 3.032 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000072433961 136170262 /nfs/dbraw/zinc/17/02/62/136170262.db2.gz CSNZAMXAODPQCK-UHFFFAOYSA-N 1 0 394.523 3.356 50 0 GGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Cc2c[nH]c3ccccc23)[nH+]1 ZINC000077128464 136171774 /nfs/dbraw/zinc/17/17/74/136171774.db2.gz VRSWCPYUFNLYFP-UHFFFAOYSA-N 1 0 392.507 3.027 50 0 GGAARO C[C@H](c1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)o1)[NH+]1CCCCC1 ZINC000082161705 136174215 /nfs/dbraw/zinc/17/42/15/136174215.db2.gz KCDREWKBZJZURC-QGZVFWFLSA-N 1 0 381.476 3.316 50 0 GGAARO COc1cccc(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c1 ZINC000082230185 136174260 /nfs/dbraw/zinc/17/42/60/136174260.db2.gz CKIXGCWCXCNPPX-UHFFFAOYSA-N 1 0 384.484 3.018 50 0 GGAARO CCc1ccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000082230605 136174551 /nfs/dbraw/zinc/17/45/51/136174551.db2.gz KXTLPUDCNYQADP-UHFFFAOYSA-N 1 0 393.535 3.300 50 0 GGAARO [NH3+]CC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000091444637 136176409 /nfs/dbraw/zinc/17/64/09/136176409.db2.gz BWZLQOGLWUUVCK-OAQYLSRUSA-N 1 0 399.494 3.099 50 0 GGAARO CNC(=O)c1ccnc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)c1 ZINC000091562719 136176682 /nfs/dbraw/zinc/17/66/82/136176682.db2.gz QULQZSQVCPSCHZ-FQEVSTJZSA-N 1 0 378.520 3.147 50 0 GGAARO [NH3+]CC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@@H]1Cc1ccccc1 ZINC000091616861 136176741 /nfs/dbraw/zinc/17/67/41/136176741.db2.gz DYOLMCOCLURLHD-QHCPKHFHSA-N 1 0 399.494 3.099 50 0 GGAARO [NH3+]CC(=O)N1CC(=O)N(c2cccc(-c3ccccc3)c2)C[C@H]1Cc1ccccc1 ZINC000091616860 136176766 /nfs/dbraw/zinc/17/67/66/136176766.db2.gz DYOLMCOCLURLHD-HSZRJFAPSA-N 1 0 399.494 3.099 50 0 GGAARO CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CC[NH3+] ZINC000091663724 136176858 /nfs/dbraw/zinc/17/68/58/136176858.db2.gz WBXCVNRPGREHOE-NRFANRHFSA-N 1 0 379.504 3.436 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(C(N)=O)ccn3)CC2)C1 ZINC000091625806 136176884 /nfs/dbraw/zinc/17/68/84/136176884.db2.gz LTFHSQVIGDTUNA-HXUWFJFHSA-N 1 0 378.520 3.277 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000091907377 136177238 /nfs/dbraw/zinc/17/72/38/136177238.db2.gz GQIGBRNJLIAEKW-LJQANCHMSA-N 1 0 378.520 3.277 50 0 GGAARO CSc1nccc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)n1 ZINC000095368395 136178303 /nfs/dbraw/zinc/17/83/03/136178303.db2.gz DNRADYNDWXBMAU-UHFFFAOYSA-N 1 0 386.521 3.118 50 0 GGAARO Cc1nnc(N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c2ccccc12 ZINC000095365758 136178365 /nfs/dbraw/zinc/17/83/65/136178365.db2.gz IHIQSAGLAWCVMH-UHFFFAOYSA-N 1 0 395.551 3.099 50 0 GGAARO Cc1ccc2[nH+]ccc(N3CCC[C@H](c4nnc(Cn5ccnc5)n4C)C3)c2c1 ZINC000095385042 136178701 /nfs/dbraw/zinc/17/87/01/136178701.db2.gz DXJBBZBKAUMPGC-KRWDZBQOSA-N 1 0 387.491 3.301 50 0 GGAARO CSc1nccc(N2CCC([NH2+][C@@H](Cn3cccn3)c3ccccc3)CC2)n1 ZINC000095387801 136178842 /nfs/dbraw/zinc/17/88/42/136178842.db2.gz RRCMTRZLLKUXTC-IBGZPJMESA-N 1 0 394.548 3.395 50 0 GGAARO Cc1cccc2cc(CO)c(N3CCC[C@H](c4nccn4CC[NH+](C)C)C3)nc12 ZINC000095526879 136181598 /nfs/dbraw/zinc/18/15/98/136181598.db2.gz RHGICLLQXQUPQI-IBGZPJMESA-N 1 0 393.535 3.178 50 0 GGAARO Cc1nccn1CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000095528040 136181727 /nfs/dbraw/zinc/18/17/27/136181727.db2.gz XJDLYUHOLPUVLA-OAQYLSRUSA-N 1 0 376.508 3.372 50 0 GGAARO Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)nc(N)[nH+]1 ZINC000096137412 136184173 /nfs/dbraw/zinc/18/41/73/136184173.db2.gz JPBTZKZWCRQCEK-IBGZPJMESA-N 1 0 391.519 3.132 50 0 GGAARO Cc1cc(N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c2ccccc2[nH+]1 ZINC000096139503 136184292 /nfs/dbraw/zinc/18/42/92/136184292.db2.gz BTQNBIVBHQIJRD-LJQANCHMSA-N 1 0 380.536 3.314 50 0 GGAARO COC[C@H]([NH2+]C1CCN(c2ncnc3sc(C)cc32)CC1)c1ccccn1 ZINC000096150173 136184591 /nfs/dbraw/zinc/18/45/91/136184591.db2.gz AXIAGAFCKYKMTQ-SFHVURJKSA-N 1 0 383.521 3.341 50 0 GGAARO CCCc1cc(N2CCC([N@@H+]3CC[C@@H](n4nc(C)cc4C)C3)CC2)nc(C)n1 ZINC000096160106 136184651 /nfs/dbraw/zinc/18/46/51/136184651.db2.gz YWUJHPZXBJGSRT-OAQYLSRUSA-N 1 0 382.556 3.467 50 0 GGAARO O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[NH+]1CCCCCC1 ZINC000101411855 136189791 /nfs/dbraw/zinc/18/97/91/136189791.db2.gz TZKALJOCJXPTJJ-UHFFFAOYSA-N 1 0 397.519 3.044 50 0 GGAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000004122564 136196707 /nfs/dbraw/zinc/19/67/07/136196707.db2.gz LFXRTKQGKSKWEF-UHFFFAOYSA-N 1 0 388.924 3.219 50 0 GGAARO Cc1ccc(-c2ccccc2C[NH+]2CCN(c3ncccc3C(N)=O)CC2)o1 ZINC000215528708 136202919 /nfs/dbraw/zinc/20/29/19/136202919.db2.gz JVGSLGVUIOQCCY-UHFFFAOYSA-N 1 0 376.460 3.071 50 0 GGAARO O=C([C@@H]1CC12CC[NH+](CC1CC1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000299759523 209081928 /nfs/dbraw/zinc/08/19/28/209081928.db2.gz UAFFQUZNZULPMR-ILHLOOHCSA-N 1 0 393.575 3.356 50 0 GGAARO COc1ccc(OC)c2nc(N(C)C)c(C[NH2+]Cc3ccc4c(c3)OCO4)cc12 ZINC000299758873 209082157 /nfs/dbraw/zinc/08/21/57/209082157.db2.gz DUWQNXRRCYJFNC-UHFFFAOYSA-N 1 0 395.459 3.337 50 0 GGAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000299754475 209082747 /nfs/dbraw/zinc/08/27/47/209082747.db2.gz VHXBWJXMFRHILJ-XLIONFOSSA-N 1 0 396.535 3.381 50 0 biogenic GGAARO CCc1nn(C)cc1-c1cccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000299762318 209084722 /nfs/dbraw/zinc/08/47/22/209084722.db2.gz UBUWYNMOCMUHRE-UHFFFAOYSA-N 1 0 375.476 3.007 50 0 GGAARO O=C(NCCc1cn2ccsc2n1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299760212 209085035 /nfs/dbraw/zinc/08/50/35/209085035.db2.gz DLBRSWDVYLHZNG-OTWHNJEPSA-N 1 0 380.517 3.280 50 0 GGAARO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)cc2OCCC[NH3+])cc1 ZINC000299764047 209085569 /nfs/dbraw/zinc/08/55/69/209085569.db2.gz JRTMTSKALXOVRF-UHFFFAOYSA-N 1 0 378.476 3.147 50 0 GGAARO O=C(Nc1cccc2n[nH]nc21)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000299759820 209085299 /nfs/dbraw/zinc/08/52/99/209085299.db2.gz NOEAWXLDZSAQJC-UHFFFAOYSA-N 1 0 376.464 3.013 50 0 GGAARO COCCc1noc([C@@H](C)NC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000299773254 209086166 /nfs/dbraw/zinc/08/61/66/209086166.db2.gz BURKIJMEOCNXFE-OAHLLOKOSA-N 1 0 387.484 3.127 50 0 GGAARO COc1c(C)cc(-c2cccc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)c2)cc1C ZINC000299773586 209086239 /nfs/dbraw/zinc/08/62/39/209086239.db2.gz DJDVETWSCCXCSW-HSZRJFAPSA-N 1 0 382.504 3.118 50 0 GGAARO Cc1nc(-c2cccc(C(=O)N(C)[C@H](C[NH+](C)C)c3ccccc3)c2)nn1C ZINC000299772980 209086996 /nfs/dbraw/zinc/08/69/96/209086996.db2.gz BILDTRKVEGROSB-HXUWFJFHSA-N 1 0 377.492 3.165 50 0 GGAARO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000095630476 222360083 /nfs/dbraw/zinc/36/00/83/222360083.db2.gz XFTLPBVIJGCDIY-UHFFFAOYSA-N 1 0 383.533 3.375 50 0 GGAARO C[C@H]1CN(C(=O)c2ccc(-c3ccc(-c4c[nH]c(N)[nH+]4)cc3)cc2)CCCO1 ZINC000426373635 533875136 /nfs/dbraw/zinc/87/51/36/533875136.db2.gz OKXFTVFVAQHRRW-HNNXBMFYSA-N 1 0 376.460 3.407 50 0 GGAARO O=C(NCC[NH+]1CCCCC1)c1cccc(-c2n[nH]c(=O)c3ccccc32)c1 ZINC000426386869 534328394 /nfs/dbraw/zinc/32/83/94/534328394.db2.gz HLACEIGZYSFJOT-UHFFFAOYSA-N 1 0 376.460 3.218 50 0 GGAARO COCc1ccc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000012763194 523018244 /nfs/dbraw/zinc/01/82/44/523018244.db2.gz FEBXDNOMNVPJQS-LEDOBFOHSA-N 1 0 380.488 3.407 50 0 GGAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H]1Cn1cccn1 ZINC000426535698 534821002 /nfs/dbraw/zinc/82/10/02/534821002.db2.gz TUYJPJFVIZOTNR-QFIPXVFZSA-N 1 0 395.551 3.012 50 0 GGAARO Cc1cc(N2CCCN(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)cc[nH+]1 ZINC000023153532 525063933 /nfs/dbraw/zinc/06/39/33/525063933.db2.gz MMVNTILLWJPMMX-UHFFFAOYSA-N 1 0 386.403 3.005 50 0 GGAARO Cc1nn(C)cc1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426649624 534832792 /nfs/dbraw/zinc/83/27/92/534832792.db2.gz LPOSIOUUPJIGDY-NRFANRHFSA-N 1 0 383.540 3.487 50 0 GGAARO C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+](CCO)CCO ZINC000253500253 525914083 /nfs/dbraw/zinc/91/40/83/525914083.db2.gz KGRGAVSLNLMKNR-VNMVBPPZSA-N 1 0 393.612 3.437 50 0 GGAARO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426475425 526306380 /nfs/dbraw/zinc/30/63/80/526306380.db2.gz LXOYXTHHJWQUAW-NRFANRHFSA-N 1 0 379.495 3.167 50 0 GGAARO CC(=O)NCc1cccc(-c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3C)cc2)c1 ZINC000426370926 526813894 /nfs/dbraw/zinc/81/38/94/526813894.db2.gz IMNALWNMUCVWRN-JOCHJYFZSA-N 1 0 379.504 3.204 50 0 GGAARO CC(C)C[N@@H+]1CCCC[C@H]1CCNC(=O)N(C)Cc1noc(C2CCC2)n1 ZINC000426647034 527967997 /nfs/dbraw/zinc/96/79/97/527967997.db2.gz IOBAHXMQQLMRDZ-KRWDZBQOSA-N 1 0 377.533 3.379 50 0 GGAARO CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426701560 528034578 /nfs/dbraw/zinc/03/45/78/528034578.db2.gz GCRLOGAVYCFQAK-NRFANRHFSA-N 1 0 379.495 3.025 50 0 GGAARO CC(C)COc1ccccc1CN(C)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426435470 528180741 /nfs/dbraw/zinc/18/07/41/528180741.db2.gz YTRZJVFKOXFKTQ-SFHVURJKSA-N 1 0 384.524 3.044 50 0 GGAARO CCC[NH+]1CCC(CNC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000426394600 528183450 /nfs/dbraw/zinc/18/34/50/528183450.db2.gz MPOPJZKXXJFRMG-UHFFFAOYSA-N 1 0 377.920 3.480 50 0 GGAARO CCC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)C1 ZINC000426633811 528218952 /nfs/dbraw/zinc/21/89/52/528218952.db2.gz GNTSQPZPRJAUBZ-QGZVFWFLSA-N 1 0 375.513 3.122 50 0 GGAARO CCN(Cc1c(F)cccc1Cl)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426556036 528755356 /nfs/dbraw/zinc/75/53/56/528755356.db2.gz RXHKHRSSZRMNMK-AWEZNQCLSA-N 1 0 378.879 3.191 50 0 GGAARO CC(C)[NH+]1CCC(CCNC(=O)N(C)Cc2ccc3nsnc3c2)CC1 ZINC000426431463 528989131 /nfs/dbraw/zinc/98/91/31/528989131.db2.gz YPYKKAPWVIEECO-UHFFFAOYSA-N 1 0 375.542 3.343 50 0 GGAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000426472725 529057711 /nfs/dbraw/zinc/05/77/11/529057711.db2.gz KKCBHKHKECSRCE-INIZCTEOSA-N 1 0 379.932 3.063 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccncc1)Cc1ccc(OC)cc1 ZINC000426535019 529104046 /nfs/dbraw/zinc/10/40/46/529104046.db2.gz BXOIUHNNUAKLEP-FQEVSTJZSA-N 1 0 382.508 3.286 50 0 GGAARO CCN1CC[NH+](C2CCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000426530828 529136507 /nfs/dbraw/zinc/13/65/07/529136507.db2.gz NEWWJCTXYWLZBC-MRXNPFEDSA-N 1 0 378.948 3.213 50 0 GGAARO CC[C@H]1CN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CC[N@@H+]1C(C)C ZINC000426486125 529283358 /nfs/dbraw/zinc/28/33/58/529283358.db2.gz YOKRCMVDXPAMPV-IBGZPJMESA-N 1 0 379.504 3.397 50 0 GGAARO CCCc1cnc(C)nc1N1CCC([NH2+]CCc2nc3ccccc3[nH]2)CC1 ZINC000095510863 535436342 /nfs/dbraw/zinc/43/63/42/535436342.db2.gz VLVPMXROSJHHHB-UHFFFAOYSA-N 1 0 378.524 3.415 50 0 GGAARO CCNc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000065363589 535521823 /nfs/dbraw/zinc/52/18/23/535521823.db2.gz SZPNQLKROIEBRP-UHFFFAOYSA-N 1 0 392.866 3.363 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(c2ccc(Cl)cn2)CC1 ZINC000096130619 535559723 /nfs/dbraw/zinc/55/97/23/535559723.db2.gz GYJMTFDIAAPQSN-GOSISDBHSA-N 1 0 378.948 3.332 50 0 GGAARO CN(C)C(=O)N1CCCC[C@H]([NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000082157503 536078638 /nfs/dbraw/zinc/07/86/38/536078638.db2.gz WUONMGDUSMZRNW-NRFANRHFSA-N 1 0 384.568 3.270 50 0 GGAARO CCc1cc(N2CCC([NH+]3CCN(Cc4cccs4)CC3)CC2)nc(C)n1 ZINC000095521582 536145445 /nfs/dbraw/zinc/14/54/45/536145445.db2.gz OKFLTKMOZURXQF-UHFFFAOYSA-N 1 0 385.581 3.196 50 0 GGAARO 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 ZINC000044431068 560085252 /nfs/dbraw/zinc/08/52/52/560085252.db2.gz GYOGHROCTSEKDY-UEIGSNQUSA-N 1 0 375.509 3.015 50 0 biogenic,in-vitro GGAARO CC1(C)CC(NS(=O)(=O)c2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000000936490 564181232 /nfs/dbraw/zinc/18/12/32/564181232.db2.gz KLLJVSWLOXWVJB-UHFFFAOYSA-N 1 0 375.332 3.037 50 0 GGAARO CC(C)Sc1nc2sc3c(c2c(N2CC[NH2+]CC2)n1)CC(C)(C)OC3 ZINC000002414663 564187883 /nfs/dbraw/zinc/18/78/83/564187883.db2.gz RKOWMDVEHJCARD-UHFFFAOYSA-N 1 0 378.567 3.453 50 0 GGAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)c(Br)cc1OCC(N)=O ZINC000002886457 564191306 /nfs/dbraw/zinc/19/13/06/564191306.db2.gz BPZXBYBMXKKICO-LBPRGKRZSA-N 1 0 393.281 3.173 50 0 GGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOc2ccc(Br)cc2)C1 ZINC000004186394 564201088 /nfs/dbraw/zinc/20/10/88/564201088.db2.gz CYYQCICIVGWIRA-INMHGKMJSA-N 1 0 386.330 3.183 50 0 GGAARO O=C1C[C@H]([NH2+]CCc2ccccc2F)C(=O)N1c1ccc(Br)cc1 ZINC000004198986 564201492 /nfs/dbraw/zinc/20/14/92/564201492.db2.gz QQXHVPTUTBVXCK-INIZCTEOSA-N 1 0 391.240 3.052 50 0 GGAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359336 564202770 /nfs/dbraw/zinc/20/27/70/564202770.db2.gz ATJMDIUUKSHJIM-UHFFFAOYSA-N 1 0 375.475 3.295 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1Br ZINC000005010341 564211610 /nfs/dbraw/zinc/21/16/10/564211610.db2.gz LKWSWFISQJKJMK-CABCVRRESA-N 1 0 389.293 3.239 50 0 GGAARO Brc1cccc(C[NH2+]CCSc2nnnn2-c2ccccc2)c1 ZINC000006719677 564227173 /nfs/dbraw/zinc/22/71/73/564227173.db2.gz BECAIFOCIFGJKH-UHFFFAOYSA-N 1 0 390.310 3.307 50 0 GGAARO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]1(C)CC1(Br)Br ZINC000006849580 564229019 /nfs/dbraw/zinc/22/90/19/564229019.db2.gz LXDUPBWILSTEEG-DGCLKSJQSA-N 1 0 396.167 3.119 50 0 GGAARO CCC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000008157531 564246367 /nfs/dbraw/zinc/24/63/67/564246367.db2.gz WADVUUMGTPDVMB-UHFFFAOYSA-N 1 0 389.721 3.472 50 0 GGAARO Cc1csc(SCC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000011951381 564265589 /nfs/dbraw/zinc/26/55/89/564265589.db2.gz AGDBAXIMNRGBBB-KRWDZBQOSA-N 1 0 375.563 3.367 50 0 GGAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000012382504 564266868 /nfs/dbraw/zinc/26/68/68/564266868.db2.gz YIAIREAKNYQLMU-UHFFFAOYSA-N 1 0 389.721 3.470 50 0 GGAARO Cc1cc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)nn1C ZINC000012229238 564267348 /nfs/dbraw/zinc/26/73/48/564267348.db2.gz BCQRAVKUUNSIHR-UHFFFAOYSA-N 1 0 377.901 3.200 50 0 GGAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccno3)nc21 ZINC000012443838 564268522 /nfs/dbraw/zinc/26/85/22/564268522.db2.gz GHYCZXRQLCNIMW-UHFFFAOYSA-N 1 0 380.857 3.155 50 0 GGAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Br)s1 ZINC000013647865 564277202 /nfs/dbraw/zinc/27/72/02/564277202.db2.gz BUQZBDRNZPXTRO-LBPRGKRZSA-N 1 0 395.388 3.444 50 0 GGAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)c(OC)c1 ZINC000013594190 564277418 /nfs/dbraw/zinc/27/74/18/564277418.db2.gz OZXBLABFZFSYBQ-CQSZACIVSA-N 1 0 381.563 3.447 50 0 GGAARO Cc1ccc(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)s1 ZINC000021695922 564312005 /nfs/dbraw/zinc/31/20/05/564312005.db2.gz MKYIKQKEMUUFCI-QGZVFWFLSA-N 1 0 377.535 3.129 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)c2c(F)cccc2Cl)c2ccsc2)CC1 ZINC000022765522 564318992 /nfs/dbraw/zinc/31/89/92/564318992.db2.gz SQLUUXTVYDBHTO-MRXNPFEDSA-N 1 0 381.904 3.259 50 0 GGAARO O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(F)c(Cl)c1 ZINC000023127669 564322394 /nfs/dbraw/zinc/32/23/94/564322394.db2.gz YRJXFGPCYYGWLE-UHFFFAOYSA-N 1 0 386.876 3.263 50 0 GGAARO CCOC(=O)c1csc(N2[NH2+]C3=C(CCCCC3)[C@@]2(O)C(F)(F)F)n1 ZINC000025186025 564336821 /nfs/dbraw/zinc/33/68/21/564336821.db2.gz JUJKOZMSYQVHBS-YMTOWFKASA-N 1 0 377.388 3.327 50 0 GGAARO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000035622944 564416078 /nfs/dbraw/zinc/41/60/78/564416078.db2.gz OYHSTDNSJRIFFV-GJZGRUSLSA-N 1 0 384.318 3.048 50 0 GGAARO CCOc1cc(Cl)c(C[NH2+]CCc2cn3nc(C)sc3n2)cc1OC ZINC000055271248 564618094 /nfs/dbraw/zinc/61/80/94/564618094.db2.gz FAKNEBOXJRAORX-UHFFFAOYSA-N 1 0 380.901 3.492 50 0 GGAARO CCSc1nc(CC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCC2)cs1 ZINC000055254502 564618480 /nfs/dbraw/zinc/61/84/80/564618480.db2.gz DQKIPULUHDINGG-INIZCTEOSA-N 1 0 376.551 3.146 50 0 GGAARO O=S(=O)(Cc1ccccc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070922179 564852961 /nfs/dbraw/zinc/85/29/61/564852961.db2.gz CALALAPCPOPVRG-UHFFFAOYSA-N 1 0 379.913 3.071 50 0 GGAARO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000072125455 564861848 /nfs/dbraw/zinc/86/18/48/564861848.db2.gz JLOPPOMPSHVJRQ-MRXNPFEDSA-N 1 0 385.335 3.231 50 0 GGAARO Clc1ccc([C@H]2CN(Cc3cc4n(n3)CCC[NH2+]C4)CCO2)cc1Cl ZINC000072151997 564861974 /nfs/dbraw/zinc/86/19/74/564861974.db2.gz HWYYAYFAUUNFLD-GOSISDBHSA-N 1 0 381.307 3.257 50 0 GGAARO Cc1nnc(SCCCNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)s1 ZINC000215577627 565895828 /nfs/dbraw/zinc/89/58/28/565895828.db2.gz YWXPMDDEUIBUPC-INIZCTEOSA-N 1 0 376.551 3.226 50 0 GGAARO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000239287416 565983071 /nfs/dbraw/zinc/98/30/71/565983071.db2.gz CSXQWAOEWYHBPF-HNNXBMFYSA-N 1 0 376.913 3.182 50 0 GGAARO COc1cc(O)c(C(=O)OCc2ccc(Br)cc2)c(/C=C/C[NH3+])c1 ZINC000575363232 566267784 /nfs/dbraw/zinc/26/77/84/566267784.db2.gz SBCGSONZHZWLKN-NSCUHMNNSA-N 1 0 392.249 3.492 50 0 GGAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(SCCO)cc1 ZINC000670462542 566363037 /nfs/dbraw/zinc/36/30/37/566363037.db2.gz SNCUJEHEXOMHGI-INIZCTEOSA-N 1 0 376.547 3.227 50 0 GGAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)c1cc(C(F)(F)F)ccc1Cl ZINC000670453305 566363100 /nfs/dbraw/zinc/36/31/00/566363100.db2.gz NGFBBRKHBIYGSZ-ZDUSSCGKSA-N 1 0 378.822 3.326 50 0 GGAARO COc1cccc2c1OC[C@@H](CNC(=O)c1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000096140659 570213215 /nfs/dbraw/zinc/21/32/15/570213215.db2.gz GGKXRMORWXEFCJ-GOSISDBHSA-N 1 0 380.488 3.272 50 0 GGAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1c(F)cccc1Cl ZINC000011697788 570226253 /nfs/dbraw/zinc/22/62/53/570226253.db2.gz BZQGSHDTKMAEMJ-UHFFFAOYSA-N 1 0 386.818 3.250 50 0 GGAARO COc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3[nH]2)[NH+]2CCCC2)cc1 ZINC000011563821 570230049 /nfs/dbraw/zinc/23/00/49/570230049.db2.gz OZNNYXNMXBRYNA-OAQYLSRUSA-N 1 0 392.503 3.457 50 0 GGAARO CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107849 570233635 /nfs/dbraw/zinc/23/36/35/570233635.db2.gz RKBQDLCMQFHCOX-YLJYHZDGSA-N 1 0 381.524 3.075 50 0 biogenic GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000011614677 570236023 /nfs/dbraw/zinc/23/60/23/570236023.db2.gz MMQDYPOTFDZCLB-SFHVURJKSA-N 1 0 397.862 3.338 50 0 GGAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000001175287 570254106 /nfs/dbraw/zinc/25/41/06/570254106.db2.gz LQQHUHCABQMIPJ-UHFFFAOYSA-N 1 0 379.504 3.335 50 0 GGAARO Cc1cc(C2=CC[N@H+](CCN(C)C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000097756578 570255002 /nfs/dbraw/zinc/25/50/02/570255002.db2.gz UDVSXMLQSUAMIW-UHFFFAOYSA-N 1 0 390.484 3.441 50 0 GGAARO O=C(N[C@H](c1ccco1)c1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000045155212 570255317 /nfs/dbraw/zinc/25/53/17/570255317.db2.gz YQOOGESESHYPBG-NRFANRHFSA-N 1 0 383.492 3.123 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2nccs2)C[C@H]1CCO ZINC000104310969 570256644 /nfs/dbraw/zinc/25/66/44/570256644.db2.gz FDLHFPUUEZQNSP-HXUWFJFHSA-N 1 0 396.560 3.311 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)c(OC)c1 ZINC000104360076 570257502 /nfs/dbraw/zinc/25/75/02/570257502.db2.gz GPLXNYNGGAROEV-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1CCO ZINC000104415380 570257621 /nfs/dbraw/zinc/25/76/21/570257621.db2.gz YHVBISUWFMHAMX-HXUWFJFHSA-N 1 0 390.959 3.440 50 0 GGAARO COc1cc(CN2CC[N@@H+](C3CCCCCC3)C[C@H]2CCO)cc(OC)c1 ZINC000104405126 570257845 /nfs/dbraw/zinc/25/78/45/570257845.db2.gz GMBSIKCCYNYIQS-HXUWFJFHSA-N 1 0 376.541 3.295 50 0 GGAARO COc1cc(Cl)cc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c1OC ZINC000104408843 570257945 /nfs/dbraw/zinc/25/79/45/570257945.db2.gz WSEGRYUGOUBQDG-QGZVFWFLSA-N 1 0 384.948 3.272 50 0 GGAARO Cc1cccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@H]2CCO)n1 ZINC000104414780 570257984 /nfs/dbraw/zinc/25/79/84/570257984.db2.gz GEXFACXXPSKOFZ-JOCHJYFZSA-N 1 0 376.504 3.007 50 0 GGAARO COc1cc(CN2CC[N@H+](CC3CCCCC3)C[C@H]2CCO)cc(OC)c1 ZINC000104504985 570259011 /nfs/dbraw/zinc/25/90/11/570259011.db2.gz NJWRFWNEIHPHTB-HXUWFJFHSA-N 1 0 376.541 3.153 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc1OC ZINC000104534158 570259849 /nfs/dbraw/zinc/25/98/49/570259849.db2.gz VHCXWULZPZTRCO-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@H]1CCO ZINC000104548262 570260235 /nfs/dbraw/zinc/26/02/35/570260235.db2.gz OFRVICKXDDDWTB-HSZRJFAPSA-N 1 0 390.531 3.250 50 0 GGAARO C[N@@H+]1CCN(Cc2ccccc2Cl)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107412435 570261245 /nfs/dbraw/zinc/26/12/45/570261245.db2.gz RDTHDWXURNGEHJ-OAQYLSRUSA-N 1 0 375.944 3.249 50 0 GGAARO CS(=O)(=O)N1CCc2cc(NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000001501624 570264227 /nfs/dbraw/zinc/26/42/27/570264227.db2.gz AKZCCXKBHKVPSS-UHFFFAOYSA-N 1 0 385.533 3.085 50 0 GGAARO CCOC(=O)c1ccc(CN[C@](C)(CC)c2nnnn2-c2c(C)cccc2C)o1 ZINC000020506787 570264535 /nfs/dbraw/zinc/26/45/35/570264535.db2.gz NJJZSPJMPUTPTO-OAQYLSRUSA-N 1 0 397.479 3.464 50 0 GGAARO COc1ccccc1CN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000584901424 570270817 /nfs/dbraw/zinc/27/08/17/570270817.db2.gz QEXUUFYVRURIBV-FQEVSTJZSA-N 1 0 387.524 3.013 50 0 GGAARO Cc1cc(C)c(CNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000584901223 570270852 /nfs/dbraw/zinc/27/08/52/570270852.db2.gz SHPUKYMPSVQRHC-QFIPXVFZSA-N 1 0 378.520 3.083 50 0 GGAARO CCOC(=O)CCCCC(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000002515761 570289249 /nfs/dbraw/zinc/28/92/49/570289249.db2.gz SCXOYUXRBUANAC-UHFFFAOYSA-N 1 0 389.492 3.332 50 0 GGAARO Cc1cc(CN2Cc3cnn(CCO)c3C2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000215974732 570293902 /nfs/dbraw/zinc/29/39/02/570293902.db2.gz RDIFRFKOCSYQOM-KRWDZBQOSA-N 1 0 382.552 3.240 50 0 GGAARO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)cn1 ZINC000216113953 570295920 /nfs/dbraw/zinc/29/59/20/570295920.db2.gz ZIINEGZTEPOCGD-SFHVURJKSA-N 1 0 375.476 3.223 50 0 GGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000002828233 570305399 /nfs/dbraw/zinc/30/53/99/570305399.db2.gz LCDMOYFBSSFNNY-UHFFFAOYSA-N 1 0 393.531 3.256 50 0 GGAARO Cc1ccc(S(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)c(C)c1 ZINC000021695939 570305948 /nfs/dbraw/zinc/30/59/48/570305948.db2.gz YABFAKUPXCKUFJ-HXUWFJFHSA-N 1 0 385.533 3.376 50 0 GGAARO O=C(CCc1cccnc1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012318630 570307251 /nfs/dbraw/zinc/30/72/51/570307251.db2.gz TWWYDWHJIFFNQP-JOCHJYFZSA-N 1 0 378.520 3.170 50 0 GGAARO O=C(CCc1cccnc1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012318633 570307406 /nfs/dbraw/zinc/30/74/06/570307406.db2.gz TWWYDWHJIFFNQP-QFIPXVFZSA-N 1 0 378.520 3.170 50 0 GGAARO Cc1ccc(C(N)=O)c(N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000106974654 570307862 /nfs/dbraw/zinc/30/78/62/570307862.db2.gz QVLVLGOHZFJVME-HXUWFJFHSA-N 1 0 384.499 3.365 50 0 GGAARO Cc1ccc(-n2cc(CN3CC[NH+](CCO)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000022893369 570333129 /nfs/dbraw/zinc/33/31/29/570333129.db2.gz QVYIYOHUOPEPAW-UHFFFAOYSA-N 1 0 390.531 3.266 50 0 GGAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023846117 570333188 /nfs/dbraw/zinc/33/31/88/570333188.db2.gz XXNLSVGTTLPGOI-QHCPKHFHSA-N 1 0 390.531 3.480 50 0 GGAARO CC[NH+](CC)C[C@@H](C)C(O)(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000003620063 570348907 /nfs/dbraw/zinc/34/89/07/570348907.db2.gz IDDKYGBAGCBUSM-OAHLLOKOSA-N 1 0 385.460 3.358 50 0 GGAARO C[NH+]1CCC(OCCCNC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000584903921 570350365 /nfs/dbraw/zinc/35/03/65/570350365.db2.gz PGKLKZMCZAMJAE-QGZVFWFLSA-N 1 0 379.932 3.340 50 0 GGAARO COc1ccccc1N1CCN(C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000004140871 570359465 /nfs/dbraw/zinc/35/94/65/570359465.db2.gz YDPTYMYWKPPRFW-QHAWAJNXSA-N 1 0 381.564 3.494 50 0 GGAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000004907345 570361290 /nfs/dbraw/zinc/36/12/90/570361290.db2.gz UGLLOMNEMZUNCT-QFIPXVFZSA-N 1 0 393.487 3.477 50 0 GGAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575619335 570367399 /nfs/dbraw/zinc/36/73/99/570367399.db2.gz DERXZLHZQKFTBQ-KRWDZBQOSA-N 1 0 395.459 3.107 50 0 GGAARO O=S(=O)(c1cccc2cccnc21)N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000004324541 570367866 /nfs/dbraw/zinc/36/78/66/570367866.db2.gz IGRNESHZQFKXFU-UHFFFAOYSA-N 1 0 395.528 3.174 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 ZINC000575621766 570370406 /nfs/dbraw/zinc/37/04/06/570370406.db2.gz UCDNUGUIZVNRBT-INIZCTEOSA-N 1 0 385.851 3.444 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc2c(c1)CCO2 ZINC000090607243 570382982 /nfs/dbraw/zinc/38/29/82/570382982.db2.gz CVSCHKLRLINREL-LJQANCHMSA-N 1 0 377.444 3.309 50 0 GGAARO COc1cccc2cc(C(=O)NC[C@@H](c3ccc4c(c3)CCO4)[NH+](C)C)oc21 ZINC000090607244 570383209 /nfs/dbraw/zinc/38/32/09/570383209.db2.gz PBJYFUUZOPTXDO-KRWDZBQOSA-N 1 0 380.444 3.409 50 0 GGAARO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCO3)[NH+](C)C)cc1 ZINC000090607282 570383357 /nfs/dbraw/zinc/38/33/57/570383357.db2.gz UDUSCUPGUHPGBP-FQEVSTJZSA-N 1 0 395.503 3.103 50 0 GGAARO COc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc12 ZINC000004580386 570386039 /nfs/dbraw/zinc/38/60/39/570386039.db2.gz XWHVIFVLTMHNNR-UHFFFAOYSA-N 1 0 376.522 3.436 50 0 GGAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)c1 ZINC000004599973 570386904 /nfs/dbraw/zinc/38/69/04/570386904.db2.gz PCLSOXFWIOXTRG-UHFFFAOYSA-N 1 0 382.504 3.275 50 0 GGAARO COc1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)c(OC)c1 ZINC000004675738 570392610 /nfs/dbraw/zinc/39/26/10/570392610.db2.gz DQIDDDTYFBOIHF-UHFFFAOYSA-N 1 0 382.504 3.275 50 0 GGAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000221406348 570394789 /nfs/dbraw/zinc/39/47/89/570394789.db2.gz PAHUIQKHTGKEKL-LJQANCHMSA-N 1 0 376.460 3.185 50 0 GGAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000004707021 570396375 /nfs/dbraw/zinc/39/63/75/570396375.db2.gz OJUQZMNZHRKZGM-UHFFFAOYSA-N 1 0 393.531 3.256 50 0 GGAARO COCCNC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004725467 570398157 /nfs/dbraw/zinc/39/81/57/570398157.db2.gz KZBIRKWWZYEWAY-UHFFFAOYSA-N 1 0 382.504 3.240 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c(OC)c1OC ZINC000004745186 570401659 /nfs/dbraw/zinc/40/16/59/570401659.db2.gz ICLJWEUKNWPSAO-GOSISDBHSA-N 1 0 390.524 3.327 50 0 GGAARO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cc3ccccc3o2)CC1 ZINC000004757880 570404064 /nfs/dbraw/zinc/40/40/64/570404064.db2.gz DEUZPZWUVPOHIP-UHFFFAOYSA-N 1 0 394.500 3.311 50 0 GGAARO CC[NH+](CC)CC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000095851926 570404298 /nfs/dbraw/zinc/40/42/98/570404298.db2.gz QKPDFEFWUFGNIT-SFHVURJKSA-N 1 0 381.520 3.257 50 0 GGAARO Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCC[NH+](C)C)cc1 ZINC000004802751 570406373 /nfs/dbraw/zinc/40/63/73/570406373.db2.gz QIDAHWHPNICZKK-RGEXLXHISA-N 1 0 385.895 3.097 50 0 GGAARO CC(C)=CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(C(=O)c2cccs2)CC1 ZINC000222301493 570408140 /nfs/dbraw/zinc/40/81/40/570408140.db2.gz DZBHVGJDYFMJEQ-QZTJIDSGSA-N 1 0 378.538 3.083 50 0 GGAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc4ccccc43)C2=O)cc1 ZINC000004865660 570413405 /nfs/dbraw/zinc/41/34/05/570413405.db2.gz JIXWEVYGIFSADQ-OAQYLSRUSA-N 1 0 387.439 3.220 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000524730127 570420596 /nfs/dbraw/zinc/42/05/96/570420596.db2.gz WTNPVRFIJAZJAH-RBBKRZOGSA-N 1 0 388.552 3.367 50 0 biogenic GGAARO CC[NH+](CC)CCN(C(=O)C1=COCCO1)c1nc2ccc(C)cc2s1 ZINC000005121790 570421687 /nfs/dbraw/zinc/42/16/87/570421687.db2.gz VWYHVYRXAYFNKU-UHFFFAOYSA-N 1 0 375.494 3.168 50 0 GGAARO Cn1nnnc1SCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000004993865 570422460 /nfs/dbraw/zinc/42/24/60/570422460.db2.gz FYNCPMWJWMPZRT-UHFFFAOYSA-N 1 0 387.484 3.200 50 0 GGAARO CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000005051252 570426493 /nfs/dbraw/zinc/42/64/93/570426493.db2.gz KMAIAJSRWCCBIJ-UHFFFAOYSA-N 1 0 383.492 3.488 50 0 GGAARO C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2[NH2+]CCCN2CCOCC2)[C@H]1C ZINC000239164901 570428240 /nfs/dbraw/zinc/42/82/40/570428240.db2.gz NCWFJKCFMCJXEG-KSCDAYEDSA-N 1 0 389.584 3.162 50 0 GGAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000239433194 570429961 /nfs/dbraw/zinc/42/99/61/570429961.db2.gz XIPZSAOLIQXKFT-SLFFLAALSA-N 1 0 390.568 3.410 50 0 GGAARO C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@@]2(O)C[NH+](CCO)CCO ZINC000240228144 570430737 /nfs/dbraw/zinc/43/07/37/570430737.db2.gz KGRGAVSLNLMKNR-JCHWNXBYSA-N 1 0 393.612 3.437 50 0 GGAARO COc1ccc(CCCNC(=O)c2ccc(N[C@H]3CC[C@@H]([NH3+])CC3)nc2)cc1 ZINC000243893224 570432832 /nfs/dbraw/zinc/43/28/32/570432832.db2.gz APNYDYPRRIAWIR-KDURUIRLSA-N 1 0 382.508 3.135 50 0 GGAARO COc1cccc(N2C(=O)C[C@@H]([NH2+]CCc3c[nH]c4ccc(Cl)cc34)C2=O)c1 ZINC000005274595 570432983 /nfs/dbraw/zinc/43/29/83/570432983.db2.gz YNKNQSKOUVHNEO-LJQANCHMSA-N 1 0 397.862 3.294 50 0 GGAARO CN1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC12CCN(C(=O)c1ccccc1)CC2 ZINC000244742130 570433622 /nfs/dbraw/zinc/43/36/22/570433622.db2.gz OCHNKPSSUNNCRF-KSEOMHKRSA-N 1 0 379.548 3.121 50 0 GGAARO Cn1cccc1[C@@H](CNC(=O)c1cc2ccccc2oc1=O)[NH+]1CCCCCC1 ZINC000011846292 570437665 /nfs/dbraw/zinc/43/76/65/570437665.db2.gz SZYQGSUHIAWPIO-HXUWFJFHSA-N 1 0 393.487 3.479 50 0 GGAARO C[N@H+](Cc1ccccc1)C1(C(=O)N[C@H]2CC[C@H](O)CC2)Cc2ccccc2C1 ZINC000248075689 570440925 /nfs/dbraw/zinc/44/09/25/570440925.db2.gz UDKXOXQMRCNSBO-HZCBDIJESA-N 1 0 378.516 3.076 50 0 GGAARO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)NC(c1ccccc1)c1ccccc1 ZINC000011873885 570442230 /nfs/dbraw/zinc/44/22/30/570442230.db2.gz WOEYXWIFUKFBPH-OAQYLSRUSA-N 1 0 391.515 3.025 50 0 GGAARO Cc1ccc2c(c1)N(CCCC[NH+]1CCN(c3ccccc3)CC1)C(=O)CO2 ZINC000005740506 570454646 /nfs/dbraw/zinc/45/46/46/570454646.db2.gz KXQJZUWFUWWTAG-UHFFFAOYSA-N 1 0 379.504 3.323 50 0 GGAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000584885187 570471480 /nfs/dbraw/zinc/47/14/80/570471480.db2.gz JQJLMPKSHZLNMI-KRWDZBQOSA-N 1 0 375.542 3.184 50 0 GGAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000006349925 570477869 /nfs/dbraw/zinc/47/78/69/570477869.db2.gz NJOZBVYSJXXDGB-HTXNQAPBSA-N 1 0 399.535 3.103 50 0 GGAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)o1 ZINC000006627907 570485261 /nfs/dbraw/zinc/48/52/61/570485261.db2.gz JMFKTJVVGKYILV-UHFFFAOYSA-N 1 0 385.483 3.288 50 0 GGAARO Cc1cnccc1CN(C)C(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426623226 570502016 /nfs/dbraw/zinc/50/20/16/570502016.db2.gz NEYRYALJYXSAHE-NRFANRHFSA-N 1 0 380.536 3.486 50 0 GGAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540319 570508009 /nfs/dbraw/zinc/50/80/09/570508009.db2.gz FMNCUBZQBYNJOB-UHFFFAOYSA-N 1 0 381.480 3.446 50 0 GGAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC[NH+](C)C)oc1c3CCCC1 ZINC000006624335 570508693 /nfs/dbraw/zinc/50/86/93/570508693.db2.gz ZGMZJGOXUSPAPJ-UHFFFAOYSA-N 1 0 396.487 3.337 50 0 biogenic GGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccsc1 ZINC000071195103 570514045 /nfs/dbraw/zinc/51/40/45/570514045.db2.gz XOUNOCLQLPOZGT-MRXNPFEDSA-N 1 0 399.472 3.207 50 0 GGAARO Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002803204 570517107 /nfs/dbraw/zinc/51/71/07/570517107.db2.gz ZCJCEKHGNDEKGZ-IBGZPJMESA-N 1 0 383.565 3.333 50 0 GGAARO Cc1ccccc1N1C[C@](O)(c2ccc3c(c2)OCCO3)[N+]2=C1CCCCC2 ZINC000002974637 570524516 /nfs/dbraw/zinc/52/45/16/570524516.db2.gz ACGMYYJJMCSCGE-QHCPKHFHSA-N 1 0 379.480 3.417 50 0 GGAARO COc1ccccc1N1C[C@@](O)(c2ccc3c(c2)OCCO3)[N+]2=C1CCCCC2 ZINC000002974503 570524549 /nfs/dbraw/zinc/52/45/49/570524549.db2.gz DQTRFWDEWJYJOJ-HSZRJFAPSA-N 1 0 395.479 3.117 50 0 GGAARO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCCCC2)c(=O)n1Cc1ccccn1 ZINC000022698030 570528251 /nfs/dbraw/zinc/52/82/51/570528251.db2.gz KTOQWUOBUCNPDV-JOCHJYFZSA-N 1 0 390.487 3.276 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 ZINC000036079369 570528481 /nfs/dbraw/zinc/52/84/81/570528481.db2.gz UATMKKXTQWHFEI-LJQANCHMSA-N 1 0 391.437 3.424 50 0 GGAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 ZINC000036079368 570528635 /nfs/dbraw/zinc/52/86/35/570528635.db2.gz UATMKKXTQWHFEI-IBGZPJMESA-N 1 0 391.437 3.424 50 0 GGAARO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000022698334 570533411 /nfs/dbraw/zinc/53/34/11/570533411.db2.gz KHIHAIDSIQZLLJ-NRFANRHFSA-N 1 0 379.460 3.474 50 0 GGAARO Cc1c(C[NH+]2CCN(c3ccc(C)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023280281 570537036 /nfs/dbraw/zinc/53/70/36/570537036.db2.gz NHLZAODXWXAKKG-UHFFFAOYSA-N 1 0 376.504 3.115 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccsc2)CC1 ZINC000022765515 570543202 /nfs/dbraw/zinc/54/32/02/570543202.db2.gz HKKMVOYYFJQVQO-QGZVFWFLSA-N 1 0 397.466 3.485 50 0 GGAARO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022765491 570543279 /nfs/dbraw/zinc/54/32/79/570543279.db2.gz VNPCTZUPLYPBDY-KRWDZBQOSA-N 1 0 393.940 3.129 50 0 GGAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765436 570543288 /nfs/dbraw/zinc/54/32/88/570543288.db2.gz FFDWLHFBQWXDEV-HXUWFJFHSA-N 1 0 387.549 3.254 50 0 GGAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009096358 570549437 /nfs/dbraw/zinc/54/94/37/570549437.db2.gz VHBSDYCLPYBYCJ-UHFFFAOYSA-N 1 0 388.431 3.148 50 0 GGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000009620360 570560200 /nfs/dbraw/zinc/56/02/00/570560200.db2.gz BXUWIOFFQYLBAL-UHFFFAOYSA-N 1 0 393.413 3.198 50 0 GGAARO Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CC[NH+](C)C)c(=N)c32)cc1 ZINC000005346083 570561229 /nfs/dbraw/zinc/56/12/29/570561229.db2.gz KLRCATOGKWJOFB-LJQANCHMSA-N 1 0 376.460 3.224 50 0 GGAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000009876086 570562290 /nfs/dbraw/zinc/56/22/90/570562290.db2.gz BLYANECQYYFWBN-UHFFFAOYSA-N 1 0 380.492 3.178 50 0 GGAARO COc1cccc2c1OCC(CN1CC[N@@H+](C3CCCCC3)[C@H](CCO)C1)=C2 ZINC000036385568 570564503 /nfs/dbraw/zinc/56/45/03/570564503.db2.gz FYWODYZHEGZQKW-OAQYLSRUSA-N 1 0 386.536 3.172 50 0 GGAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000010312756 570568216 /nfs/dbraw/zinc/56/82/16/570568216.db2.gz CYPDIWZODQYQCU-UHFFFAOYSA-N 1 0 391.924 3.362 50 0 GGAARO COc1cc(C[NH2+]CCOCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000010435706 570570166 /nfs/dbraw/zinc/57/01/66/570570166.db2.gz TUZCHIVPIGJLMK-UHFFFAOYSA-N 1 0 383.847 3.165 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1snnc1C ZINC000011662092 570577375 /nfs/dbraw/zinc/57/73/75/570577375.db2.gz WXFSCJANBQFALX-KRWDZBQOSA-N 1 0 390.528 3.402 50 0 GGAARO COc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000011662518 570577443 /nfs/dbraw/zinc/57/74/43/570577443.db2.gz WDZHMFBFHZMYJK-QYFOZDBKSA-N 1 0 376.500 3.456 50 0 GGAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000011664932 570578822 /nfs/dbraw/zinc/57/88/22/570578822.db2.gz RGMDHZFSZVKOQU-FQEVSTJZSA-N 1 0 385.552 3.440 50 0 GGAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000011667872 570579559 /nfs/dbraw/zinc/57/95/59/570579559.db2.gz BZVRUCFAYXHIIZ-SFHVURJKSA-N 1 0 397.519 3.407 50 0 GGAARO COc1cc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cc2c1OCO2 ZINC000011716842 570580542 /nfs/dbraw/zinc/58/05/42/570580542.db2.gz XRGGJDJTKGZNMC-UHFFFAOYSA-N 1 0 399.487 3.468 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](CCCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000011753607 570580853 /nfs/dbraw/zinc/58/08/53/570580853.db2.gz ROTOWPRZWXRQPC-IBGZPJMESA-N 1 0 382.508 3.128 50 0 GGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2csc(C)n2)cc1 ZINC000011719137 570581143 /nfs/dbraw/zinc/58/11/43/570581143.db2.gz QCAIYMHAXYIYMJ-UHFFFAOYSA-N 1 0 387.549 3.487 50 0 GGAARO O[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011762030 570581556 /nfs/dbraw/zinc/58/15/56/570581556.db2.gz AWJHXGNVMAWKTK-FQEVSTJZSA-N 1 0 391.471 3.284 50 0 GGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)CCCN2CCCCC2=O)CC1 ZINC000011764178 570582080 /nfs/dbraw/zinc/58/20/80/570582080.db2.gz HXJFARVOOJEJCX-UHFFFAOYSA-N 1 0 399.579 3.192 50 0 GGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cn3ccsc3n2)c1 ZINC000011784473 570582398 /nfs/dbraw/zinc/58/23/98/570582398.db2.gz KFCHWQJQHAXJBF-KRWDZBQOSA-N 1 0 384.505 3.075 50 0 GGAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CCCn1ccnc1 ZINC000011785028 570582498 /nfs/dbraw/zinc/58/24/98/570582498.db2.gz QACZAKUXQMCJGL-GOSISDBHSA-N 1 0 394.441 3.463 50 0 GGAARO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)c(=O)[nH]1 ZINC000011818262 570584991 /nfs/dbraw/zinc/58/49/91/570584991.db2.gz XTMMWWFUPKAWFF-QFIPXVFZSA-N 1 0 383.467 3.363 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCn2ccnc2C)CC1 ZINC000011818899 570585434 /nfs/dbraw/zinc/58/54/34/570585434.db2.gz DBTWOUYEVVMZIO-UHFFFAOYSA-N 1 0 398.551 3.003 50 0 GGAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000011819976 570585933 /nfs/dbraw/zinc/58/59/33/570585933.db2.gz KEOVEIDJPZASBF-UHFFFAOYSA-N 1 0 382.443 3.208 50 0 GGAARO O=C(CCC1CC[NH+](Cc2cccnc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000011821301 570586012 /nfs/dbraw/zinc/58/60/12/570586012.db2.gz SAYKWBCGKDNZNI-UHFFFAOYSA-N 1 0 392.547 3.423 50 0 GGAARO COc1ccc(C(=O)NCCCSC)cc1OC1CC[NH+](C(C)C)CC1 ZINC000011843448 570587734 /nfs/dbraw/zinc/58/77/34/570587734.db2.gz KGZRKEAYDRDEFD-UHFFFAOYSA-N 1 0 380.554 3.430 50 0 GGAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000011844503 570588236 /nfs/dbraw/zinc/58/82/36/570588236.db2.gz MOBLMIUWSGFGNN-QFIPXVFZSA-N 1 0 385.508 3.300 50 0 GGAARO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011870325 570588899 /nfs/dbraw/zinc/58/88/99/570588899.db2.gz RVNDFRBFXRRPLY-KRWDZBQOSA-N 1 0 391.519 3.152 50 0 GGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccccc1N1CCOCC1 ZINC000011874257 570589808 /nfs/dbraw/zinc/58/98/08/570589808.db2.gz WCAOCOSBBHOHDJ-LJQANCHMSA-N 1 0 385.552 3.440 50 0 GGAARO CCC[NH+]1CCC(N2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000011878242 570589822 /nfs/dbraw/zinc/58/98/22/570589822.db2.gz AFBJDAVKLPFFLU-VQTJNVASSA-N 1 0 391.943 3.262 50 0 GGAARO C[N@H+](Cc1ccccc1)C1(C(=O)NC[C@H]2CCCCO2)Cc2ccccc2C1 ZINC000039379553 570590065 /nfs/dbraw/zinc/59/00/65/570590065.db2.gz NCJSSTHTVABXTL-JOCHJYFZSA-N 1 0 378.516 3.341 50 0 GGAARO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1=O ZINC000005425768 570590279 /nfs/dbraw/zinc/59/02/79/570590279.db2.gz LKECIWWHEALCCE-QGZVFWFLSA-N 1 0 397.862 3.294 50 0 GGAARO O=C(COc1ncnc2ccccc21)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011879211 570590560 /nfs/dbraw/zinc/59/05/60/570590560.db2.gz DREPEYFRMRIPJH-SFHVURJKSA-N 1 0 382.508 3.170 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000011879371 570591305 /nfs/dbraw/zinc/59/13/05/570591305.db2.gz JBLYOORALHCRTA-UJXFUWLCSA-N 1 0 385.527 3.294 50 0 GGAARO COc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039430751 570591364 /nfs/dbraw/zinc/59/13/64/570591364.db2.gz CLIJTXHZFVXHDS-HXUWFJFHSA-N 1 0 376.541 3.153 50 0 GGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2ccsc2)[C@H](CCO)C1 ZINC000039466605 570592184 /nfs/dbraw/zinc/59/21/84/570592184.db2.gz HBZBOVGZCXIWSU-JOCHJYFZSA-N 1 0 396.560 3.311 50 0 GGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1C[C@@H]1COc2ccccc2O1 ZINC000011911399 570592327 /nfs/dbraw/zinc/59/23/27/570592327.db2.gz HHLGVIFHWCGCNV-RBUKOAKNSA-N 1 0 384.451 3.136 50 0 GGAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1C[C@H]1COc2ccccc2O1 ZINC000011911402 570592373 /nfs/dbraw/zinc/59/23/73/570592373.db2.gz HHLGVIFHWCGCNV-MOPGFXCFSA-N 1 0 384.451 3.136 50 0 GGAARO CCCn1c(C)c(CC(=O)NC[C@]2(C)CC[N@H+](C)C2)c2c1CC(C)(C)CC2=O ZINC000039490359 570592648 /nfs/dbraw/zinc/59/26/48/570592648.db2.gz VQQZBLBCKGMVDB-QHCPKHFHSA-N 1 0 387.568 3.362 50 0 GGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000039486003 570592672 /nfs/dbraw/zinc/59/26/72/570592672.db2.gz XSAIXFCWHQNAEP-XMMPIXPASA-N 1 0 390.531 3.250 50 0 GGAARO Cc1cc(C)c(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000039500122 570592903 /nfs/dbraw/zinc/59/29/03/570592903.db2.gz LGLVMDOJIFYNHZ-HXUWFJFHSA-N 1 0 384.568 3.404 50 0 GGAARO COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c(Cl)cc1O ZINC000039519182 570593193 /nfs/dbraw/zinc/59/31/93/570593193.db2.gz GDEMTWPLPJSOBH-QGZVFWFLSA-N 1 0 382.932 3.256 50 0 GGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)CC1 ZINC000011937493 570594492 /nfs/dbraw/zinc/59/44/92/570594492.db2.gz BGILSNHYTMGTEW-QGZVFWFLSA-N 1 0 391.512 3.201 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc4ccccc4n3)CC2)C1 ZINC000011938125 570594779 /nfs/dbraw/zinc/59/47/79/570594779.db2.gz ZWUAXGVSIZFOIE-LJQANCHMSA-N 1 0 392.547 3.190 50 0 GGAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H]2COc3ccccc3O2)cc1 ZINC000011966724 570596211 /nfs/dbraw/zinc/59/62/11/570596211.db2.gz CPLPDHIPMMHGNR-AZUAARDMSA-N 1 0 396.487 3.006 50 0 GGAARO c1cc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)n(-c2ccccn2)c1 ZINC000011967849 570596325 /nfs/dbraw/zinc/59/63/25/570596325.db2.gz XOAHNPPIWXGDFD-UHFFFAOYSA-N 1 0 398.514 3.307 50 0 GGAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCc2cc(C)n(C)n2)Cc2ccccc2O1 ZINC000011978686 570596760 /nfs/dbraw/zinc/59/67/60/570596760.db2.gz KAPPKEZCSSMIMC-HXUWFJFHSA-N 1 0 384.524 3.188 50 0 GGAARO CC(C)(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012003336 570598293 /nfs/dbraw/zinc/59/82/93/570598293.db2.gz HDCGKEFHIMFPJB-HXUWFJFHSA-N 1 0 399.579 3.442 50 0 GGAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000012039081 570599957 /nfs/dbraw/zinc/59/99/57/570599957.db2.gz WPCIZIIQGALCKO-KRWDZBQOSA-N 1 0 390.487 3.411 50 0 GGAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC[C@@H](CNC(=O)[C@H]3CCCO3)O2)CC1 ZINC000012042132 570600423 /nfs/dbraw/zinc/60/04/23/570600423.db2.gz MVRCQGFRGPLNBT-ULTXOHIJSA-N 1 0 398.547 3.399 50 0 GGAARO COC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012050051 570601004 /nfs/dbraw/zinc/60/10/04/570601004.db2.gz MDXLCCIMFLCGBV-SFHVURJKSA-N 1 0 382.504 3.495 50 0 GGAARO Cc1nn2c(ncc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397585 570601550 /nfs/dbraw/zinc/60/15/50/570601550.db2.gz WPYCFNYPSOJUNC-UHFFFAOYSA-N 1 0 381.867 3.235 50 0 GGAARO COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)o1 ZINC000012072463 570604072 /nfs/dbraw/zinc/60/40/72/570604072.db2.gz ZLLHPRMHLFUITQ-HSZRJFAPSA-N 1 0 398.503 3.449 50 0 GGAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000012093566 570608108 /nfs/dbraw/zinc/60/81/08/570608108.db2.gz JMPNMTWRMRBGRG-HXUWFJFHSA-N 1 0 381.524 3.174 50 0 GGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc(C)ccc2-n2cccn2)C1 ZINC000012111808 570608594 /nfs/dbraw/zinc/60/85/94/570608594.db2.gz IQIGCWKFRZPPFV-QFIPXVFZSA-N 1 0 385.508 3.363 50 0 GGAARO Cc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)[nH]1 ZINC000012152885 570618136 /nfs/dbraw/zinc/61/81/36/570618136.db2.gz RNKARYUPJFPDIK-OAHLLOKOSA-N 1 0 396.539 3.105 50 0 GGAARO CC(C)c1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1 ZINC000012165606 570619562 /nfs/dbraw/zinc/61/95/62/570619562.db2.gz FWWWJNHJLAASTK-INIZCTEOSA-N 1 0 381.524 3.047 50 0 GGAARO O=C1CCN(Cc2ccccc2C(F)(F)F)CCN1CC[NH+]1CCCCC1 ZINC000012201133 570624624 /nfs/dbraw/zinc/62/46/24/570624624.db2.gz CHNHRHMRNGCVHV-UHFFFAOYSA-N 1 0 383.458 3.226 50 0 GGAARO CCn1ccnc1CN(CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012205583 570625883 /nfs/dbraw/zinc/62/58/83/570625883.db2.gz BTEZPEXCXAVDQJ-HXUWFJFHSA-N 1 0 396.579 3.231 50 0 GGAARO CCn1ccnc1CN(CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012205574 570625982 /nfs/dbraw/zinc/62/59/82/570625982.db2.gz BTEZPEXCXAVDQJ-FQEVSTJZSA-N 1 0 396.579 3.231 50 0 GGAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012245529 570631121 /nfs/dbraw/zinc/63/11/21/570631121.db2.gz RODNHMYRYBJWRN-QGZVFWFLSA-N 1 0 398.478 3.468 50 0 GGAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000012279447 570632513 /nfs/dbraw/zinc/63/25/13/570632513.db2.gz IZKJWCBFKFDTHI-KRWDZBQOSA-N 1 0 398.478 3.468 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000012297643 570634145 /nfs/dbraw/zinc/63/41/45/570634145.db2.gz XJZSZEYSZPJITQ-QFIPXVFZSA-N 1 0 394.515 3.481 50 0 GGAARO O=C(NCCCC1CCCC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012298889 570634844 /nfs/dbraw/zinc/63/48/44/570634844.db2.gz YTIRJQFYAGGRHP-FQEVSTJZSA-N 1 0 389.584 3.186 50 0 GGAARO Cc1nc2ncccn2c1C(=O)N1CCC([C@@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000012299747 570635345 /nfs/dbraw/zinc/63/53/45/570635345.db2.gz JUVCLQIXROZHFG-GOSISDBHSA-N 1 0 383.540 3.258 50 0 GGAARO COc1ccc(CC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000012301749 570636625 /nfs/dbraw/zinc/63/66/25/570636625.db2.gz PDAVMKGUJDNQMV-FQEVSTJZSA-N 1 0 382.504 3.070 50 0 GGAARO CC(C)/C=C/CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012303082 570637186 /nfs/dbraw/zinc/63/71/86/570637186.db2.gz QSOGISHIZIDIFE-KOXUSJRISA-N 1 0 384.568 3.086 50 0 GGAARO O=C(CCC1CC[NH+](Cc2ccncc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012304343 570638275 /nfs/dbraw/zinc/63/82/75/570638275.db2.gz FNCSGVFQNPQFDK-UHFFFAOYSA-N 1 0 381.476 3.484 50 0 GGAARO Cc1cccnc1CN(C)c1ccc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000012305861 570638727 /nfs/dbraw/zinc/63/87/27/570638727.db2.gz WCPCWWQSBJVDLQ-IBGZPJMESA-N 1 0 381.524 3.026 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012305505 570638777 /nfs/dbraw/zinc/63/87/77/570638777.db2.gz SLIWKCDBIXQTQH-SFHVURJKSA-N 1 0 391.475 3.458 50 0 GGAARO CC[C@H]1CN(C(=O)c2ccc(N(C)Cc3ccccn3)nc2)CC[N@@H+]1C(C)C ZINC000012305390 570638889 /nfs/dbraw/zinc/63/88/89/570638889.db2.gz ZSPVPMCJIVYBGM-FQEVSTJZSA-N 1 0 381.524 3.058 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000012307336 570639146 /nfs/dbraw/zinc/63/91/46/570639146.db2.gz STCAVLSVKKXWJY-QGZVFWFLSA-N 1 0 396.535 3.322 50 0 GGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012306474 570639286 /nfs/dbraw/zinc/63/92/86/570639286.db2.gz PXIKQYIZHUHIEQ-QFIPXVFZSA-N 1 0 392.547 3.074 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000012307335 570639361 /nfs/dbraw/zinc/63/93/61/570639361.db2.gz STCAVLSVKKXWJY-KRWDZBQOSA-N 1 0 396.535 3.322 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)Cc2cccnc2)CC1 ZINC000012308065 570639926 /nfs/dbraw/zinc/63/99/26/570639926.db2.gz ICUBRIKHQIDKOO-UHFFFAOYSA-N 1 0 381.520 3.046 50 0 GGAARO COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)cc1 ZINC000012308728 570640164 /nfs/dbraw/zinc/64/01/64/570640164.db2.gz QBCNGXIMXIFODO-UHFFFAOYSA-N 1 0 395.503 3.177 50 0 GGAARO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1N1CCNC1=O ZINC000012315720 570641169 /nfs/dbraw/zinc/64/11/69/570641169.db2.gz KEBHZHGZNBEUCH-LJQANCHMSA-N 1 0 398.551 3.442 50 0 GGAARO c1nc(N2CCCC2)sc1C[NH2+][C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012315731 570641201 /nfs/dbraw/zinc/64/12/01/570641201.db2.gz FINHEQLVQLXAAX-KRWDZBQOSA-N 1 0 380.521 3.491 50 0 GGAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c(C)n1 ZINC000012315707 570641232 /nfs/dbraw/zinc/64/12/32/570641232.db2.gz FDFGDNFQNHYTJE-GOSISDBHSA-N 1 0 392.507 3.248 50 0 GGAARO CCn1ccnc1CN(CCOC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012317618 570641645 /nfs/dbraw/zinc/64/16/45/570641645.db2.gz QJZMBKWREFJZFI-UHFFFAOYSA-N 1 0 388.531 3.403 50 0 GGAARO O=C(CCn1cnc2ccccc21)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012319280 570642440 /nfs/dbraw/zinc/64/24/40/570642440.db2.gz JXYUNFGAPRHFTC-FQEVSTJZSA-N 1 0 388.515 3.174 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCc2cccnc2)CC1 ZINC000012318301 570642459 /nfs/dbraw/zinc/64/24/59/570642459.db2.gz YNUAPPDMKFMVQK-UHFFFAOYSA-N 1 0 395.547 3.436 50 0 GGAARO CC1(C)CC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC(C)(C)[NH2+]1 ZINC000012391788 570643987 /nfs/dbraw/zinc/64/39/87/570643987.db2.gz KXLIGSDPJYLFER-CYBMUJFWSA-N 1 0 377.916 3.118 50 0 GGAARO CC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(F)cc3)CC1)n2C ZINC000012379732 570649510 /nfs/dbraw/zinc/64/95/10/570649510.db2.gz KWLIYJHBRYNUSX-UHFFFAOYSA-N 1 0 395.482 3.036 50 0 GGAARO COCCNC(=O)CCC1CC[NH+](Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000012386866 570651821 /nfs/dbraw/zinc/65/18/21/570651821.db2.gz PVFRETSKCWDYOT-UHFFFAOYSA-N 1 0 396.535 3.207 50 0 GGAARO COc1ccc(-n2cc(-c3ccnc(NCC[C@@H]4CCC[N@@H+]4C)n3)cn2)cc1 ZINC000048063503 570654768 /nfs/dbraw/zinc/65/47/68/570654768.db2.gz SCGUOAPIMXHPLE-KRWDZBQOSA-N 1 0 378.480 3.234 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1Cn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1N ZINC000012411946 570656468 /nfs/dbraw/zinc/65/64/68/570656468.db2.gz GDPLAIBXCJHDLV-MRXNPFEDSA-N 1 0 379.501 3.143 50 0 GGAARO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(CN3CC[NH2+]CC3)cc2)[nH]1 ZINC000048368545 570657633 /nfs/dbraw/zinc/65/76/33/570657633.db2.gz OCXFARZPJQMGIS-UHFFFAOYSA-N 1 0 380.879 3.163 50 0 GGAARO CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NCCc3c[nH]cn3)c2)CC1 ZINC000012429281 570658137 /nfs/dbraw/zinc/65/81/37/570658137.db2.gz DULNECKIZSPWOO-UHFFFAOYSA-N 1 0 384.524 3.272 50 0 GGAARO Cc1cc(C)n(C2C[NH+](C3CCN(c4ccc(-n5cccn5)cc4)CC3)C2)n1 ZINC000048428380 570658388 /nfs/dbraw/zinc/65/83/88/570658388.db2.gz PKWXCXQLIBCKOE-UHFFFAOYSA-N 1 0 376.508 3.211 50 0 GGAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)o1 ZINC000012429770 570658696 /nfs/dbraw/zinc/65/86/96/570658696.db2.gz MTKHQCPGLSXMDW-NRFANRHFSA-N 1 0 398.532 3.377 50 0 GGAARO COc1cccc(-c2cc3n(n2)[C@@H]([NH2+]CCCc2ccccc2)CNC3=O)c1 ZINC000169754531 570661040 /nfs/dbraw/zinc/66/10/40/570661040.db2.gz YSKOWYCWZIAWFF-OAQYLSRUSA-N 1 0 376.460 3.023 50 0 GGAARO CN(C(=O)CSc1ccccn1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012435786 570662126 /nfs/dbraw/zinc/66/21/26/570662126.db2.gz MUCONLCTWLWYOC-IBGZPJMESA-N 1 0 381.545 3.264 50 0 GGAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012438738 570663016 /nfs/dbraw/zinc/66/30/16/570663016.db2.gz NSYYPNUMYLXUNS-LJQANCHMSA-N 1 0 392.507 3.118 50 0 GGAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012438739 570663039 /nfs/dbraw/zinc/66/30/39/570663039.db2.gz NSYYPNUMYLXUNS-IBGZPJMESA-N 1 0 392.507 3.118 50 0 GGAARO CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000012438149 570663054 /nfs/dbraw/zinc/66/30/54/570663054.db2.gz VTCBVJOVQBHXFX-JOCHJYFZSA-N 1 0 390.499 3.026 50 0 GGAARO COc1cccc(OCc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)n[nH]2)c1 ZINC000012446070 570666070 /nfs/dbraw/zinc/66/60/70/570666070.db2.gz HPMRCSBLTKYZNB-UHFFFAOYSA-N 1 0 398.507 3.088 50 0 GGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000012448524 570667779 /nfs/dbraw/zinc/66/77/79/570667779.db2.gz FJWHJZTVZYJUCH-UHFFFAOYSA-N 1 0 395.503 3.370 50 0 GGAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000012454832 570668699 /nfs/dbraw/zinc/66/86/99/570668699.db2.gz GBVCQJSIVYIBRR-JOCHJYFZSA-N 1 0 385.508 3.125 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCC3(c4ccccc4)CCCC3)C2)CC1 ZINC000012466633 570671663 /nfs/dbraw/zinc/67/16/63/570671663.db2.gz SSWKATBVDDORCW-HXUWFJFHSA-N 1 0 383.580 3.421 50 0 GGAARO C[C@H]1CN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000012468432 570672089 /nfs/dbraw/zinc/67/20/89/570672089.db2.gz FUCXSGSHIKWXBB-KRWDZBQOSA-N 1 0 377.492 3.447 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)/C=C/c1cccs1 ZINC000012469549 570672288 /nfs/dbraw/zinc/67/22/88/570672288.db2.gz ICJCFPUQYYFAOJ-VOTSOKGWSA-N 1 0 375.582 3.416 50 0 GGAARO COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337867 570674830 /nfs/dbraw/zinc/67/48/30/570674830.db2.gz IVWFVBZOSOQPFC-IBGZPJMESA-N 1 0 396.418 3.048 50 0 GGAARO C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@H]1c1ccccc1)c1nccn1-c1ccccc1 ZINC000685940161 570674981 /nfs/dbraw/zinc/67/49/81/570674981.db2.gz GMARPHXEIQQWPY-QRFRQXIXSA-N 1 0 375.476 3.417 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nn1 ZINC000012512994 570675195 /nfs/dbraw/zinc/67/51/95/570675195.db2.gz IINOYKUCLFQGND-GOSISDBHSA-N 1 0 392.507 3.145 50 0 GGAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccncc3)C2)c(OC)c1 ZINC000012436375 570675359 /nfs/dbraw/zinc/67/53/59/570675359.db2.gz OLRWEOGCJZROKA-GOSISDBHSA-N 1 0 397.519 3.407 50 0 GGAARO NC(=O)CCn1cc(C[NH2+]Cc2c[nH]nc2-c2cccs2)c2ccccc21 ZINC000055053764 570680504 /nfs/dbraw/zinc/68/05/04/570680504.db2.gz BFOUVBTYIPPSTA-UHFFFAOYSA-N 1 0 379.489 3.258 50 0 GGAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000055060932 570680849 /nfs/dbraw/zinc/68/08/49/570680849.db2.gz IUDLOCVLFCDUCR-KRWDZBQOSA-N 1 0 375.428 3.453 50 0 GGAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCCc1ccncc1 ZINC000012571558 570681468 /nfs/dbraw/zinc/68/14/68/570681468.db2.gz KLSQSLQATFMMHW-HXUWFJFHSA-N 1 0 385.483 3.203 50 0 GGAARO COc1ccc(NC(=O)CCC2CC[NH+](C[C@@H]3CCOC3)CC2)c(OC)c1 ZINC000012575238 570682517 /nfs/dbraw/zinc/68/25/17/570682517.db2.gz APPMSAZRKRFUDP-KRWDZBQOSA-N 1 0 376.497 3.171 50 0 GGAARO Cc1nccn1-c1ccccc1C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055099885 570682841 /nfs/dbraw/zinc/68/28/41/570682841.db2.gz MVZJXARKSZLHJP-UHFFFAOYSA-N 1 0 387.487 3.301 50 0 GGAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 ZINC000055107616 570682953 /nfs/dbraw/zinc/68/29/53/570682953.db2.gz UJXUOSOBRQAPIU-NRFANRHFSA-N 1 0 376.447 3.129 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c4ccccc34)CC2)C1 ZINC000012578734 570683504 /nfs/dbraw/zinc/68/35/04/570683504.db2.gz NWRUQNSWDPQWGW-QGZVFWFLSA-N 1 0 380.536 3.123 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cc1O ZINC000012581013 570683771 /nfs/dbraw/zinc/68/37/71/570683771.db2.gz ZUYSRWVGKIQFFG-NRFANRHFSA-N 1 0 377.431 3.496 50 0 GGAARO CCC[N@@H+](Cc1c(C(=O)N2CCCC2)nc2sccn12)C[C@@H]1CCCO1 ZINC000055153132 570684551 /nfs/dbraw/zinc/68/45/51/570684551.db2.gz HYTQZNCMKUDXRE-HNNXBMFYSA-N 1 0 376.526 3.023 50 0 GGAARO O=C(C1CC1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055242631 570688395 /nfs/dbraw/zinc/68/83/95/570688395.db2.gz WEGQSZARWOTCBH-SFHVURJKSA-N 1 0 381.442 3.228 50 0 GGAARO COCCc1nc2ccc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)cc2o1 ZINC000012594460 570688808 /nfs/dbraw/zinc/68/88/08/570688808.db2.gz RKEWNHOZMMVIER-IBGZPJMESA-N 1 0 393.487 3.236 50 0 GGAARO O=C(NCc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055254133 570689066 /nfs/dbraw/zinc/68/90/66/570689066.db2.gz PGCVBQZUTZKWQF-QFIPXVFZSA-N 1 0 378.520 3.183 50 0 GGAARO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012597303 570690023 /nfs/dbraw/zinc/69/00/23/570690023.db2.gz TWSUHTKCWCVAGR-HXUWFJFHSA-N 1 0 375.900 3.462 50 0 GGAARO CC(C)[NH+]1CCC(N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012597281 570690102 /nfs/dbraw/zinc/69/01/02/570690102.db2.gz HHCZJQIFYNJNGZ-OAQYLSRUSA-N 1 0 381.524 3.148 50 0 GGAARO CC(C)[NH+]1CCC(N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012597285 570690179 /nfs/dbraw/zinc/69/01/79/570690179.db2.gz HHCZJQIFYNJNGZ-NRFANRHFSA-N 1 0 381.524 3.148 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000055342975 570691819 /nfs/dbraw/zinc/69/18/19/570691819.db2.gz WXNZBJSJOXRXNQ-NRFANRHFSA-N 1 0 393.531 3.430 50 0 GGAARO COc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1 ZINC000055359024 570692177 /nfs/dbraw/zinc/69/21/77/570692177.db2.gz FLBFEEVAXJCWCA-OAQYLSRUSA-N 1 0 393.531 3.430 50 0 GGAARO COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1 ZINC000055359027 570692362 /nfs/dbraw/zinc/69/23/62/570692362.db2.gz FLBFEEVAXJCWCA-NRFANRHFSA-N 1 0 393.531 3.430 50 0 GGAARO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000055374183 570693388 /nfs/dbraw/zinc/69/33/88/570693388.db2.gz ABUAGWUBQMLRJX-UHFFFAOYSA-N 1 0 394.968 3.471 50 0 GGAARO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCCCC3)CC2)cc1 ZINC000055487019 570696251 /nfs/dbraw/zinc/69/62/51/570696251.db2.gz VTPMEUHOIZWXKI-UHFFFAOYSA-N 1 0 393.553 3.064 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cc(C)n(C)n1 ZINC000012702664 570699655 /nfs/dbraw/zinc/69/96/55/570699655.db2.gz SUWZAKQTFQJFGX-UHFFFAOYSA-N 1 0 382.552 3.454 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc1OC ZINC000012706032 570700418 /nfs/dbraw/zinc/70/04/18/570700418.db2.gz HHCLOVKFQIGCOO-KRWDZBQOSA-N 1 0 386.467 3.485 50 0 GGAARO Cn1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(-c2ccccc2F)n1 ZINC000012706268 570700546 /nfs/dbraw/zinc/70/05/46/570700546.db2.gz ABUNWICRDNZABO-UHFFFAOYSA-N 1 0 384.499 3.451 50 0 GGAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C/C=C/C(C)C)CC1 ZINC000012706557 570700562 /nfs/dbraw/zinc/70/05/62/570700562.db2.gz JOXJXNXACPJQJD-AATRIKPKSA-N 1 0 390.524 3.127 50 0 GGAARO O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012707565 570700996 /nfs/dbraw/zinc/70/09/96/570700996.db2.gz JLDLTUWOFMMEDL-SFHVURJKSA-N 1 0 396.535 3.090 50 0 GGAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)COc3ccccc3)nc2c1 ZINC000004359363 570701426 /nfs/dbraw/zinc/70/14/26/570701426.db2.gz OIEOGGRHNNEPPH-UHFFFAOYSA-N 1 0 385.489 3.279 50 0 GGAARO CCOc1ccccc1CN1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012709066 570701645 /nfs/dbraw/zinc/70/16/45/570701645.db2.gz OXEKYYIEICTQIM-UHFFFAOYSA-N 1 0 399.579 3.384 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ocnc4C)C3)C2)c1OC ZINC000012710674 570701981 /nfs/dbraw/zinc/70/19/81/570701981.db2.gz XHTPVPNFACJFCW-JOCHJYFZSA-N 1 0 399.491 3.129 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ocnc4C)C3)C2)c1OC ZINC000012710680 570702166 /nfs/dbraw/zinc/70/21/66/570702166.db2.gz XHTPVPNFACJFCW-QFIPXVFZSA-N 1 0 399.491 3.129 50 0 GGAARO O=C(c1ccc(OC2CC[NH+](CCCn3cccn3)CC2)cc1)N1CCCC1 ZINC000012711235 570702617 /nfs/dbraw/zinc/70/26/17/570702617.db2.gz KZFNZWVTDRWDAZ-UHFFFAOYSA-N 1 0 382.508 3.053 50 0 GGAARO O=C(CC[C@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012711227 570702822 /nfs/dbraw/zinc/70/28/22/570702822.db2.gz MSXMIUHYXIRBFY-JOCHJYFZSA-N 1 0 399.579 3.002 50 0 GGAARO CC[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000017269424 570703048 /nfs/dbraw/zinc/70/30/48/570703048.db2.gz KQOJWIWEWIWHQC-HNNXBMFYSA-N 1 0 389.521 3.126 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012715951 570704322 /nfs/dbraw/zinc/70/43/22/570704322.db2.gz XGOGPRYNSUVBKA-KRWDZBQOSA-N 1 0 380.554 3.408 50 0 GGAARO Cc1ccc(-c2cnnc(N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)o1 ZINC000012716435 570704735 /nfs/dbraw/zinc/70/47/35/570704735.db2.gz BISYGWWJPUUNQI-IBGZPJMESA-N 1 0 375.476 3.120 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cnsn1 ZINC000012718531 570705206 /nfs/dbraw/zinc/70/52/06/570705206.db2.gz ZINFWEKDWSGPFZ-MRXNPFEDSA-N 1 0 376.501 3.094 50 0 GGAARO CC[NH+](CC)CCN(C(=O)C1=COCCO1)c1nc2c(cc(F)cc2F)s1 ZINC000004359506 570705749 /nfs/dbraw/zinc/70/57/49/570705749.db2.gz UBAVNPCMFQXRES-UHFFFAOYSA-N 1 0 397.447 3.138 50 0 GGAARO CC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3cccc(C)c3)C2)cc1 ZINC000252488251 570728451 /nfs/dbraw/zinc/72/84/51/570728451.db2.gz IOCVIQUDNKNUKU-OAQYLSRUSA-N 1 0 379.504 3.449 50 0 GGAARO CC[NH+]1CCN(c2nc3nccnc3c(Nc3ccc(Cl)cc3C)n2)CC1 ZINC000013010864 570741961 /nfs/dbraw/zinc/74/19/61/570741961.db2.gz LHVSVASXNRJXRX-UHFFFAOYSA-N 1 0 383.887 3.267 50 0 GGAARO COc1ccc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1 ZINC000036585543 570744494 /nfs/dbraw/zinc/74/44/94/570744494.db2.gz HUVRKZCEPVFQRB-OXQOHEQNSA-N 1 0 398.503 3.033 50 0 GGAARO Cc1ccc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc(-c3cncnc3)nc2c1C ZINC000063834101 570750896 /nfs/dbraw/zinc/75/08/96/570750896.db2.gz VDLPVSKALGACQQ-QGZVFWFLSA-N 1 0 375.476 3.085 50 0 GGAARO COc1ccc(CN(C(=O)CCN2CC[NH+](C)CC2)C(C)C)c2ccccc12 ZINC000063856791 570751841 /nfs/dbraw/zinc/75/18/41/570751841.db2.gz VGIHCNHURYXEMK-UHFFFAOYSA-N 1 0 383.536 3.223 50 0 GGAARO Cc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N1CCC[N@@H+](C)C[C@H]1C ZINC000063868121 570752141 /nfs/dbraw/zinc/75/21/41/570752141.db2.gz YGJQJLUJMYTYOI-MRXNPFEDSA-N 1 0 377.492 3.110 50 0 GGAARO Cn1cc(-c2cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c3cc(F)ccc3n2)cn1 ZINC000063868296 570752287 /nfs/dbraw/zinc/75/22/87/570752287.db2.gz NERVXLOVIBEURB-KRWDZBQOSA-N 1 0 393.466 3.085 50 0 GGAARO CCn1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063881999 570752779 /nfs/dbraw/zinc/75/27/79/570752779.db2.gz KSXZISSXQMHQJL-OAHLLOKOSA-N 1 0 395.482 3.424 50 0 GGAARO COc1ccc2c(c1)OC[C@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000064488099 570754644 /nfs/dbraw/zinc/75/46/44/570754644.db2.gz TZXYVQYRVRSNSP-HXUWFJFHSA-N 1 0 380.488 3.159 50 0 GGAARO O=C(CCc1nnc(-c2ccccc2)o1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000013595243 570761451 /nfs/dbraw/zinc/76/14/51/570761451.db2.gz NOUYXIXTTDMCOA-UHFFFAOYSA-N 1 0 382.508 3.440 50 0 GGAARO COc1ccc(F)c(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000065374159 570762527 /nfs/dbraw/zinc/76/25/27/570762527.db2.gz LROPGSOQAASLJV-HNNXBMFYSA-N 1 0 383.939 3.336 50 0 GGAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC[NH+](C)C)oc1c3CCCC1 ZINC000013625766 570763886 /nfs/dbraw/zinc/76/38/86/570763886.db2.gz MWDCMEALCUDTNF-UHFFFAOYSA-N 1 0 396.487 3.337 50 0 GGAARO Cc1nc(CC[NH2+]C2CCN(C(=O)c3ccccc3)CC2)nc2c1CCCC2 ZINC000065385994 570764057 /nfs/dbraw/zinc/76/40/57/570764057.db2.gz PVPYVXJKZQZGAO-UHFFFAOYSA-N 1 0 378.520 3.101 50 0 GGAARO CC(=O)N(C)c1ccc(NC(=O)C[N@H+](C)Cc2cccc3ncccc23)cc1 ZINC000065386604 570764108 /nfs/dbraw/zinc/76/41/08/570764108.db2.gz CXRHRNAXOQCWAO-UHFFFAOYSA-N 1 0 376.460 3.288 50 0 GGAARO COC(=O)C[C@H](c1oc(CN2CCc3ccccc3C2)cc(=O)c1O)C(C)C ZINC000524731140 570765914 /nfs/dbraw/zinc/76/59/14/570765914.db2.gz LHNDFWMSRQVIIJ-SFHVURJKSA-N 1 0 385.460 3.206 50 0 biogenic GGAARO CC(=O)Nc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@](C)(O)C3)cc2)c1 ZINC000065398690 570766085 /nfs/dbraw/zinc/76/60/85/570766085.db2.gz SRWXVNUFNCCJHS-JOCHJYFZSA-N 1 0 381.476 3.244 50 0 GGAARO O=C1CC2(CN1)CC[NH+](Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC2 ZINC000065405676 570766514 /nfs/dbraw/zinc/76/65/14/570766514.db2.gz QYKIHZCDHCCRKX-UHFFFAOYSA-N 1 0 387.487 3.036 50 0 GGAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000013653553 570767372 /nfs/dbraw/zinc/76/73/72/570767372.db2.gz GXOIIHFNCXBWJZ-UHFFFAOYSA-N 1 0 390.487 3.376 50 0 GGAARO Cc1cccc(-n2nc(CCc3ccccc3)nc2C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000065422323 570767903 /nfs/dbraw/zinc/76/79/03/570767903.db2.gz CIOZQLKBXRLCPW-JOCHJYFZSA-N 1 0 389.547 3.149 50 0 GGAARO Cc1ccccc1-c1ncc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000065433646 570768366 /nfs/dbraw/zinc/76/83/66/570768366.db2.gz JSOJWFJGFCGMGT-UHFFFAOYSA-N 1 0 387.530 3.098 50 0 GGAARO CSCC[C@H](C(=O)Nc1ccc2c(c1)ncn2CC[NH+](C)C)n1cccc1 ZINC000524732654 570770005 /nfs/dbraw/zinc/77/00/05/570770005.db2.gz GQGZCEJZAOQARQ-LJQANCHMSA-N 1 0 385.537 3.332 50 0 GGAARO Cc1ccc(-c2nc(NCC[NH+]3CCC(O)CC3)ncc2-c2ccncc2)cc1 ZINC000065470736 570770183 /nfs/dbraw/zinc/77/01/83/570770183.db2.gz FHDOOZNRMGICNX-UHFFFAOYSA-N 1 0 389.503 3.383 50 0 GGAARO Cn1cnc2cc(NC(=O)c3ccc(C[N@H+](C)C4CCOCC4)cc3)ccc21 ZINC000065490730 570770463 /nfs/dbraw/zinc/77/04/63/570770463.db2.gz YYCHEDQPINZAAE-UHFFFAOYSA-N 1 0 378.476 3.436 50 0 GGAARO CCc1ccc2oc(=O)cc(C[NH+]3CCC([C@@H](O)c4nccn4C)CC3)c2c1 ZINC000065507396 570771361 /nfs/dbraw/zinc/77/13/61/570771361.db2.gz CQEGFZKNONUHKN-OAQYLSRUSA-N 1 0 381.476 3.035 50 0 GGAARO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031373 570778175 /nfs/dbraw/zinc/77/81/75/570778175.db2.gz FPRPXNFJLALCJU-OXQOHEQNSA-N 1 0 386.540 3.489 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccc4ncccc34)CC2)C1 ZINC000067459790 570780446 /nfs/dbraw/zinc/78/04/46/570780446.db2.gz MNGYXZKMKLGLJR-IBGZPJMESA-N 1 0 392.547 3.190 50 0 GGAARO Fc1cccc(N[C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)c1 ZINC000067563310 570782085 /nfs/dbraw/zinc/78/20/85/570782085.db2.gz DWWANSFDDZROIO-QGZVFWFLSA-N 1 0 376.501 3.195 50 0 GGAARO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000067603494 570782632 /nfs/dbraw/zinc/78/26/32/570782632.db2.gz AKAWNAKJXRKKCV-UHFFFAOYSA-N 1 0 394.450 3.404 50 0 GGAARO CCNc1nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)cc(C)[nH+]1 ZINC000067613101 570783799 /nfs/dbraw/zinc/78/37/99/570783799.db2.gz RKECXNYSPJMGCH-UHFFFAOYSA-N 1 0 375.476 3.332 50 0 GGAARO CCOc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000067612792 570783820 /nfs/dbraw/zinc/78/38/20/570783820.db2.gz BYMWXFUXZWBTQY-UHFFFAOYSA-N 1 0 390.505 3.359 50 0 GGAARO Cc1ccccc1CN1C2=NCCN2C2=C(C[N@H+](Cc3ccccc3)CC2)C1=O ZINC000169620396 570783983 /nfs/dbraw/zinc/78/39/83/570783983.db2.gz VLULRUCCHYVXOH-UHFFFAOYSA-N 1 0 386.499 3.169 50 0 in-vitro GGAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000013736207 570784005 /nfs/dbraw/zinc/78/40/05/570784005.db2.gz MIRBYBAETSWVRZ-UHFFFAOYSA-N 1 0 375.856 3.279 50 0 GGAARO COc1ccc(OCc2nc(C(=O)N3C[C@]4(C)C[N@H+](C)C[C@](C)(C3)C4)co2)cc1 ZINC000067641461 570784302 /nfs/dbraw/zinc/78/43/02/570784302.db2.gz ZFTIJFCDLRDQRH-SZPZYZBQSA-N 1 0 399.491 3.066 50 0 GGAARO O=C(NCc1csc2ccc(Cl)cc12)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067654509 570784720 /nfs/dbraw/zinc/78/47/20/570784720.db2.gz AASQEKXVTSYASC-LBPRGKRZSA-N 1 0 389.912 3.076 50 0 GGAARO C[C@@H](C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1)[NH+](C)C ZINC000067649015 570784763 /nfs/dbraw/zinc/78/47/63/570784763.db2.gz MBLLWFXSUWIWNW-ZDUSSCGKSA-N 1 0 397.500 3.340 50 0 GGAARO O=C(C1CC1)N1CCC2(CCC([NH+]3CCN(c4ccccn4)CC3)CC2)CC1 ZINC000067654832 570785244 /nfs/dbraw/zinc/78/52/44/570785244.db2.gz CWLOGIAYWUGYRK-UHFFFAOYSA-N 1 0 382.552 3.165 50 0 GGAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)n1 ZINC000067697166 570787314 /nfs/dbraw/zinc/78/73/14/570787314.db2.gz HABSFCCDTNTONY-HSZRJFAPSA-N 1 0 381.520 3.157 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3cccnc3)C2=O)cc1 ZINC000067714263 570787754 /nfs/dbraw/zinc/78/77/54/570787754.db2.gz VRODQFBCGITNON-HSZRJFAPSA-N 1 0 381.520 3.191 50 0 GGAARO Cc1cc(N2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)nc(N)[nH+]1 ZINC000067714816 570787771 /nfs/dbraw/zinc/78/77/71/570787771.db2.gz BJFLOTBXVVPZGD-UHFFFAOYSA-N 1 0 383.839 3.187 50 0 GGAARO Cc1ccccc1N1CCN(c2ncccc2C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000067714229 570787853 /nfs/dbraw/zinc/78/78/53/570787853.db2.gz MMDJEDYNDWNLKY-HXUWFJFHSA-N 1 0 390.535 3.091 50 0 GGAARO COC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 ZINC000013778579 570789891 /nfs/dbraw/zinc/78/98/91/570789891.db2.gz AYGUPDNTYLHDNB-UHFFFAOYSA-O 1 0 390.463 3.123 50 0 GGAARO COc1cc(OC)cc(C(=O)N2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000067757789 570790046 /nfs/dbraw/zinc/79/00/46/570790046.db2.gz XNSQEZYGBRPNOH-HSZRJFAPSA-N 1 0 395.503 3.227 50 0 GGAARO CN1CCC[C@@](O)(C[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)C1=O ZINC000067787995 570791093 /nfs/dbraw/zinc/79/10/93/570791093.db2.gz QDJLKATVKAENBU-XMMPIXPASA-N 1 0 378.516 3.052 50 0 GGAARO CC[C@H](c1nc2cc(C)ccc2[nH]1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000067787968 570791233 /nfs/dbraw/zinc/79/12/33/570791233.db2.gz GJVBJJBHOZWBRI-OAHLLOKOSA-N 1 0 379.489 3.288 50 0 GGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH+](CCCO)CC1 ZINC000067790296 570791338 /nfs/dbraw/zinc/79/13/38/570791338.db2.gz QORBXADZLPENME-UHFFFAOYSA-N 1 0 383.414 3.169 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCc3ccccc3)C2=O)cc1 ZINC000067805141 570792024 /nfs/dbraw/zinc/79/20/24/570792024.db2.gz KOKJYPRWUHPXQY-DEOSSOPVSA-N 1 0 380.532 3.496 50 0 GGAARO COCC[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000067805803 570792653 /nfs/dbraw/zinc/79/26/53/570792653.db2.gz JIWHSCBUPKOUNL-UHFFFAOYSA-N 1 0 377.876 3.464 50 0 GGAARO O=C(COc1ccc(F)c(Cl)c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172244371 570793382 /nfs/dbraw/zinc/79/33/82/570793382.db2.gz PKZCBFMEINMDBS-UHFFFAOYSA-N 1 0 377.847 3.034 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2=O)cc1 ZINC000067871390 570795026 /nfs/dbraw/zinc/79/50/26/570795026.db2.gz JUFDWTMRMOYIIN-FQEVSTJZSA-N 1 0 380.479 3.395 50 0 GGAARO C[C@@H](C[N@@H+]1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1)c1ccccc1 ZINC000067867642 570795327 /nfs/dbraw/zinc/79/53/27/570795327.db2.gz USQKWNVHENRELM-IBGZPJMESA-N 1 0 381.520 3.306 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000067910275 570796738 /nfs/dbraw/zinc/79/67/38/570796738.db2.gz GYSHYLZWLRSIQW-XMMPIXPASA-N 1 0 391.515 3.244 50 0 GGAARO Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)c1 ZINC000011694017 570797476 /nfs/dbraw/zinc/79/74/76/570797476.db2.gz SARPEAVEUHADKW-UHFFFAOYSA-N 1 0 377.488 3.124 50 0 GGAARO CC[C@H]1CN(C(=O)c2csc3nc(-c4ccc(OC)c(F)c4)cn23)CC[NH2+]1 ZINC000067934813 570797712 /nfs/dbraw/zinc/79/77/12/570797712.db2.gz XEWAAQWLLMSAED-ZDUSSCGKSA-N 1 0 388.468 3.035 50 0 GGAARO Cc1ccc(C2(O)CC[NH+](Cc3ccc(Oc4ncccn4)cc3)CC2)nc1 ZINC000067935396 570797878 /nfs/dbraw/zinc/79/78/78/570797878.db2.gz HYNLBLRIOLGLMK-UHFFFAOYSA-N 1 0 376.460 3.456 50 0 GGAARO COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)cc1 ZINC000067946426 570797967 /nfs/dbraw/zinc/79/79/67/570797967.db2.gz QEGTZSYOPGKKRI-QHCPKHFHSA-N 1 0 388.552 3.451 50 0 GGAARO O=C(Nc1ccncc1)c1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)c1 ZINC000067955521 570798306 /nfs/dbraw/zinc/79/83/06/570798306.db2.gz QALBDMYRZRWAMQ-LJQANCHMSA-N 1 0 375.476 3.443 50 0 GGAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C(C)(C)c3ccccc3)C2=O)c1 ZINC000067948126 570798384 /nfs/dbraw/zinc/79/83/84/570798384.db2.gz FOTAYLOPWGUHGE-QHCPKHFHSA-N 1 0 382.504 3.074 50 0 GGAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C(C)(C)c3ccccc3)C2=O)c1 ZINC000067948125 570798391 /nfs/dbraw/zinc/79/83/91/570798391.db2.gz FOTAYLOPWGUHGE-HSZRJFAPSA-N 1 0 382.504 3.074 50 0 GGAARO CC(C)([NH2+]C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O)c1ccccc1 ZINC000067965869 570799084 /nfs/dbraw/zinc/79/90/84/570799084.db2.gz XPZKHTIRNRQHNQ-QFIPXVFZSA-N 1 0 388.458 3.343 50 0 GGAARO C[N@@H+]1CCN(C/C=C/c2ccco2)CC12CCN(C(=O)c1ccccc1)CC2 ZINC000067982210 570799532 /nfs/dbraw/zinc/79/95/32/570799532.db2.gz VXIXMOCBIYYLOJ-WEVVVXLNSA-N 1 0 379.504 3.215 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccn1 ZINC000005967768 570810156 /nfs/dbraw/zinc/81/01/56/570810156.db2.gz CUJHFOUDIWIZGF-LJQANCHMSA-N 1 0 377.444 3.075 50 0 GGAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccs3)CC2)C1 ZINC000071388773 570832942 /nfs/dbraw/zinc/83/29/42/570832942.db2.gz CFMFYRCMCYRILC-IBGZPJMESA-N 1 0 398.576 3.136 50 0 GGAARO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071416075 570833672 /nfs/dbraw/zinc/83/36/72/570833672.db2.gz UVTIUQBHMAKLEG-OAQYLSRUSA-N 1 0 382.508 3.365 50 0 GGAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000004689526 570834886 /nfs/dbraw/zinc/83/48/86/570834886.db2.gz DDSMXWPMRPIZSL-BEFAXECRSA-N 1 0 396.487 3.432 50 0 GGAARO COc1cccc([C@@H]2CN(C(=O)c3cccc(O)c3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000071439482 570835337 /nfs/dbraw/zinc/83/53/37/570835337.db2.gz WELAUSWONYDXQF-MDNUFGMLSA-N 1 0 392.499 3.412 50 0 GGAARO CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CC[NH+](C)CC2)cc1 ZINC000101892690 570838389 /nfs/dbraw/zinc/83/83/89/570838389.db2.gz TUWAORLPNQOUEH-UHFFFAOYSA-N 1 0 387.487 3.339 50 0 GGAARO CC(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071498332 570838745 /nfs/dbraw/zinc/83/87/45/570838745.db2.gz ANIDMULLVBCXNW-OAQYLSRUSA-N 1 0 386.584 3.263 50 0 GGAARO CNC(=O)c1ccnc(N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071639439 570841837 /nfs/dbraw/zinc/84/18/37/570841837.db2.gz SXCOUWSXJJDVRP-HXUWFJFHSA-N 1 0 384.499 3.317 50 0 GGAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1ccccc1Cl ZINC000043940966 570841981 /nfs/dbraw/zinc/84/19/81/570841981.db2.gz JVHNPJYYXFMLKU-UHFFFAOYSA-N 1 0 391.924 3.368 50 0 GGAARO Cc1ccccc1CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071735797 570844692 /nfs/dbraw/zinc/84/46/92/570844692.db2.gz BBCCEMHDDIOUGV-OAQYLSRUSA-N 1 0 397.563 3.066 50 0 GGAARO CC(C)[N@H+](C)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000071747559 570845631 /nfs/dbraw/zinc/84/56/31/570845631.db2.gz PSPBDAGJENILDA-OKILXGFUSA-N 1 0 378.904 3.077 50 0 GGAARO OCCOc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071747626 570845716 /nfs/dbraw/zinc/84/57/16/570845716.db2.gz NIBKKXHZKDTOBB-QPTUXGOLSA-N 1 0 378.516 3.120 50 0 GGAARO O=C(c1ccc2c(c1)OCO2)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071747501 570845726 /nfs/dbraw/zinc/84/57/26/570845726.db2.gz GKRRLLJZEIFGPG-VLCRHTCISA-N 1 0 376.456 3.118 50 0 GGAARO CCC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071748894 570846213 /nfs/dbraw/zinc/84/62/13/570846213.db2.gz NKQJZVPCCKYCTJ-QFIPXVFZSA-N 1 0 398.595 3.407 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCC1 ZINC000071750650 570846828 /nfs/dbraw/zinc/84/68/28/570846828.db2.gz PFEFBXCYNKNCSU-OAQYLSRUSA-N 1 0 384.568 3.161 50 0 GGAARO O=C(c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)N1CC[NH2+]CC1 ZINC000004535572 570847218 /nfs/dbraw/zinc/84/72/18/570847218.db2.gz QNKZSKULWGRWPU-UHFFFAOYSA-N 1 0 390.531 3.386 50 0 GGAARO CCc1ncc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cn1 ZINC000071751973 570847475 /nfs/dbraw/zinc/84/74/75/570847475.db2.gz WDRXHVYLFFZQDV-HXUWFJFHSA-N 1 0 384.499 3.437 50 0 GGAARO CN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071757061 570848486 /nfs/dbraw/zinc/84/84/86/570848486.db2.gz ITODHWQVUBJKDQ-JOCHJYFZSA-N 1 0 398.595 3.407 50 0 GGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)c1C ZINC000071756799 570848524 /nfs/dbraw/zinc/84/85/24/570848524.db2.gz LSRWUHZVESYKHU-KRWDZBQOSA-N 1 0 384.568 3.379 50 0 GGAARO COc1ccnc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071754730 570848693 /nfs/dbraw/zinc/84/86/93/570848693.db2.gz FFJNGUJBBCOULZ-NRFANRHFSA-N 1 0 385.483 3.488 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]C3CCCCCC3)C2=O)c1 ZINC000071754700 570848698 /nfs/dbraw/zinc/84/86/98/570848698.db2.gz ZNKVXNXYEIPNJF-OAQYLSRUSA-N 1 0 378.488 3.000 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cccnc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071757011 570848717 /nfs/dbraw/zinc/84/87/17/570848717.db2.gz RAYRRGVTYXWJGK-BHDDXSALSA-N 1 0 377.488 3.101 50 0 GGAARO O=C(c1cnccn1)N1CCC([N@@H+]2CCC[C@H](CCc3ccccc3)C2)CC1 ZINC000071760161 570849518 /nfs/dbraw/zinc/84/95/18/570849518.db2.gz JPIFZIHXFVGLIF-HXUWFJFHSA-N 1 0 378.520 3.426 50 0 GGAARO CC(C)[C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCC[N@@H+]1CC1CC1 ZINC000071762150 570849695 /nfs/dbraw/zinc/84/96/95/570849695.db2.gz YYRGRBVTOQCSQB-OAQYLSRUSA-N 1 0 383.536 3.396 50 0 GGAARO CCN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)C1CC1 ZINC000071763845 570851126 /nfs/dbraw/zinc/85/11/26/570851126.db2.gz FWDITPCXKTUQPH-OAQYLSRUSA-N 1 0 383.580 3.416 50 0 GGAARO CCn1nc(C)c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000071771697 570852598 /nfs/dbraw/zinc/85/25/98/570852598.db2.gz SHQIXYJSHQRAFC-CEMLEFRQSA-N 1 0 378.520 3.222 50 0 GGAARO CCc1nccc(C[N@@H+]2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072119506 570866387 /nfs/dbraw/zinc/86/63/87/570866387.db2.gz JGZLCCPKDFQSSI-YMPZKCBVSA-N 1 0 378.520 3.110 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000072117803 570866427 /nfs/dbraw/zinc/86/64/27/570866427.db2.gz JKGTXAPFODBCNJ-UHFFFAOYSA-N 1 0 394.523 3.438 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)c3cccc(Cl)c3)[nH+]c(C)n2)c1C ZINC000072117435 570866627 /nfs/dbraw/zinc/86/66/27/570866627.db2.gz CCDZAJMXITVNSZ-UHFFFAOYSA-N 1 0 384.871 3.083 50 0 GGAARO COc1ccccc1[C@@H]1CN(c2ccc(C(C)=O)cn2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072120888 570867075 /nfs/dbraw/zinc/86/70/75/570867075.db2.gz ZPVZOQHMCYWXOU-WWPVKYPJSA-N 1 0 377.488 3.359 50 0 GGAARO Cc1[nH]c2c(c1CC(=O)N1CCC([N@@H+]3CCC[C@H](O)C3)CC1)c(C)ccc2C ZINC000072121742 570867175 /nfs/dbraw/zinc/86/71/75/570867175.db2.gz UXFFIUFAUSDDAG-IBGZPJMESA-N 1 0 383.536 3.083 50 0 GGAARO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cn(Cc3cccc4ccccc43)nn2)C1 ZINC000072124039 570867180 /nfs/dbraw/zinc/86/71/80/570867180.db2.gz IIKADPDYUAJRST-SFHVURJKSA-N 1 0 391.519 3.284 50 0 GGAARO Cc1[nH]c2c(c1CC(=O)N1CCC([N@@H+]3CCC[C@@H](O)C3)CC1)c(C)ccc2C ZINC000072121743 570867241 /nfs/dbraw/zinc/86/72/41/570867241.db2.gz UXFFIUFAUSDDAG-LJQANCHMSA-N 1 0 383.536 3.083 50 0 GGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000044166326 570867846 /nfs/dbraw/zinc/86/78/46/570867846.db2.gz WHLXPVZHCMKDJE-UHFFFAOYSA-N 1 0 395.894 3.315 50 0 GGAARO Cc1ccccc1SCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072128908 570868188 /nfs/dbraw/zinc/86/81/88/570868188.db2.gz URQVEEAHDLGZLS-RTWAWAEBSA-N 1 0 382.529 3.022 50 0 GGAARO Cc1ccccc1OCCCN(C)c1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072133216 570868596 /nfs/dbraw/zinc/86/85/96/570868596.db2.gz NLMLOLSCKBYICA-UHFFFAOYSA-N 1 0 375.476 3.356 50 0 GGAARO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)sc2[nH]cnc(=O)c12 ZINC000072135622 570869422 /nfs/dbraw/zinc/86/94/22/570869422.db2.gz ZKMGYBLQOVPPMP-AWEZNQCLSA-N 1 0 388.537 3.210 50 0 GGAARO CN(CCC[NH+]1CCCCCC1)c1nc(-c2cccnc2)nc2c1cnn2C ZINC000072135365 570869463 /nfs/dbraw/zinc/86/94/63/570869463.db2.gz PSIFCOXHPMSYMB-UHFFFAOYSA-N 1 0 379.512 3.128 50 0 GGAARO O=C(c1ccc(Cl)cn1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072144654 570871104 /nfs/dbraw/zinc/87/11/04/570871104.db2.gz CAFDZMWSAMCMAZ-DFQSSKMNSA-N 1 0 383.879 3.143 50 0 GGAARO C[NH+](C)[C@@H]1CCCN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072145782 570871615 /nfs/dbraw/zinc/87/16/15/570871615.db2.gz DOXXCFDCCFCBDQ-OAQYLSRUSA-N 1 0 376.508 3.309 50 0 GGAARO Cc1cc(CNC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)no1 ZINC000072145959 570871647 /nfs/dbraw/zinc/87/16/47/570871647.db2.gz SWHWWTANKQVSDW-UHFFFAOYSA-N 1 0 389.499 3.311 50 0 GGAARO Cn1ncc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1C1CC1 ZINC000072147173 570872017 /nfs/dbraw/zinc/87/20/17/570872017.db2.gz LTHSLUMMGQBBLY-YMPZKCBVSA-N 1 0 380.511 3.499 50 0 GGAARO CO[C@H]1CCCN(C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)C1 ZINC000072148385 570872653 /nfs/dbraw/zinc/87/26/53/570872653.db2.gz XHDBSYXNNHJTQX-QHCPKHFHSA-N 1 0 392.543 3.336 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3cccnc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072148043 570872666 /nfs/dbraw/zinc/87/26/66/570872666.db2.gz MFDFFRPXTRDRDX-YPAWHYETSA-N 1 0 377.488 3.101 50 0 GGAARO CCO[C@H]1[C@H](NC(=O)c2oc(CC)nc2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072153996 570873681 /nfs/dbraw/zinc/87/36/81/570873681.db2.gz VLIWCRONJZDTNK-QUCCMNQESA-N 1 0 383.492 3.056 50 0 GGAARO CC(C)(C)c1cc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000072156380 570874537 /nfs/dbraw/zinc/87/45/37/570874537.db2.gz XSKIEFXGZVIQOW-KSEOMHKRSA-N 1 0 380.536 3.475 50 0 GGAARO COc1ccccc1[C@@H]1CN(c2ncnc3[nH]ccc32)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156243 570874609 /nfs/dbraw/zinc/87/46/09/570874609.db2.gz HRZYHLMMGVWJAS-DFQSSKMNSA-N 1 0 375.476 3.033 50 0 GGAARO OC[C@@H]1CCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015061962 570874690 /nfs/dbraw/zinc/87/46/90/570874690.db2.gz MRZDREPNQYRJHE-FQEVSTJZSA-N 1 0 391.471 3.284 50 0 GGAARO CCO[C@H]1[C@H](NC(=O)c2c(F)cccc2OC)c2ccccc2C12CC[NH2+]CC2 ZINC000072158493 570875096 /nfs/dbraw/zinc/87/50/96/570875096.db2.gz LJXVPWYETIPKIT-RTWAWAEBSA-N 1 0 398.478 3.345 50 0 GGAARO Cn1c(C(=O)N2CCC[C@H]([NH+]3CCC(CO)CC3)C2)cc2c1cccc2Cl ZINC000072157890 570875159 /nfs/dbraw/zinc/87/51/59/570875159.db2.gz YAIFTRDDJXMSSB-INIZCTEOSA-N 1 0 389.927 3.141 50 0 GGAARO CNc1nc(CN2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000072163106 570875608 /nfs/dbraw/zinc/87/56/08/570875608.db2.gz GRHANDWWUWGIFV-MISYRCLQSA-N 1 0 384.549 3.256 50 0 GGAARO Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cc1O ZINC000072163768 570875830 /nfs/dbraw/zinc/87/58/30/570875830.db2.gz OCJFPDHEASKTFW-OAQYLSRUSA-N 1 0 379.504 3.470 50 0 GGAARO Cc1cc(C)cc(OCCN(C)c2nc(-c3cccnc3)nc3c2C[NH2+]C3)c1 ZINC000072168754 570877062 /nfs/dbraw/zinc/87/70/62/570877062.db2.gz IMONZAVEOOLNBV-UHFFFAOYSA-N 1 0 375.476 3.274 50 0 GGAARO c1ccc(CCCc2noc(-c3ccc(N4[C@@H]5CC[C@H]4C[NH2+]C5)nc3)n2)cc1 ZINC000072169122 570877065 /nfs/dbraw/zinc/87/70/65/570877065.db2.gz ULHWATPWUCBYGP-KDURUIRLSA-N 1 0 375.476 3.248 50 0 GGAARO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccc(F)c4F)CC3)C2)[nH]n1 ZINC000072168943 570877068 /nfs/dbraw/zinc/87/70/68/570877068.db2.gz GANYIESKXSGPRA-INIZCTEOSA-N 1 0 388.462 3.371 50 0 GGAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000072174127 570877973 /nfs/dbraw/zinc/87/79/73/570877973.db2.gz OJXKWFBKURMJDG-QHCPKHFHSA-N 1 0 375.472 3.040 50 0 GGAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)C1 ZINC000072174126 570878029 /nfs/dbraw/zinc/87/80/29/570878029.db2.gz OJXKWFBKURMJDG-HSZRJFAPSA-N 1 0 375.472 3.040 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccccc2C)c1=N ZINC000003653185 570881385 /nfs/dbraw/zinc/88/13/85/570881385.db2.gz QSXDXKQXUFBCJW-IBGZPJMESA-N 1 0 396.535 3.012 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+]C3CCCCC3)cc21 ZINC000003655839 570881627 /nfs/dbraw/zinc/88/16/27/570881627.db2.gz AYGCNDGOZRPCAG-QGZVFWFLSA-N 1 0 388.508 3.325 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccsc1 ZINC000071195102 570886489 /nfs/dbraw/zinc/88/64/89/570886489.db2.gz XOUNOCLQLPOZGT-INIZCTEOSA-N 1 0 399.472 3.207 50 0 GGAARO COc1ccc(OC)c(NC(=O)CN2CCN(c3ccc(C)cc3)[C@@H](C)C2)c1 ZINC000013320063 570894596 /nfs/dbraw/zinc/89/45/96/570894596.db2.gz ZNAOFLKRCKVTFW-KRWDZBQOSA-N 1 0 383.492 3.161 50 0 GGAARO C[C@H](NC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000534579079 570902603 /nfs/dbraw/zinc/90/26/03/570902603.db2.gz UBFKRVFZBAEMNF-KRWDZBQOSA-N 1 0 382.508 3.229 50 0 GGAARO Cc1nccn1CCN(C)C(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000534582597 570903456 /nfs/dbraw/zinc/90/34/56/570903456.db2.gz BZUGLURBACPIET-UHFFFAOYSA-N 1 0 389.931 3.151 50 0 GGAARO CC[N@H+](C)C1(CNC(=O)N2CCC(OCc3cccnc3)CC2)CCCCC1 ZINC000534582501 570903640 /nfs/dbraw/zinc/90/36/40/570903640.db2.gz BXIXAAPLFLYJQZ-UHFFFAOYSA-N 1 0 388.556 3.427 50 0 GGAARO O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC000534587361 570904921 /nfs/dbraw/zinc/90/49/21/570904921.db2.gz UXJFXTZZJRWOEC-MEMLXQNLSA-N 1 0 379.504 3.378 50 0 GGAARO CC[N@H+](CCNS(=O)(=O)c1ccc(OC)c2ncccc12)Cc1ccccc1 ZINC000004577997 570905536 /nfs/dbraw/zinc/90/55/36/570905536.db2.gz GWUZLPCGINPLRW-UHFFFAOYSA-N 1 0 399.516 3.044 50 0 GGAARO O=C(NCC1(C[NH+]2CCCC2)CC1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000534641639 570908769 /nfs/dbraw/zinc/90/87/69/570908769.db2.gz SHTVWRACRNLGDO-GOSISDBHSA-N 1 0 377.554 3.079 50 0 GGAARO O=C(NCC1(C[NH+]2CCCC2)CC1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000534641640 570908873 /nfs/dbraw/zinc/90/88/73/570908873.db2.gz SHTVWRACRNLGDO-SFHVURJKSA-N 1 0 377.554 3.079 50 0 GGAARO CO[C@]12CC[N@H+](Cc3cc(F)cc(F)c3)[C@H]1C[C@H](NC(=O)C1CCC1)CC2 ZINC000534630870 570910085 /nfs/dbraw/zinc/91/00/85/570910085.db2.gz XDXRBEYAABZHPO-SVFBPWRDSA-N 1 0 378.463 3.393 50 0 GGAARO CCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(-c4ccccc4)no3)[C@H]2C1 ZINC000534634837 570911362 /nfs/dbraw/zinc/91/13/62/570911362.db2.gz IJYDUQCKGTZHJO-PIPMEXSNSA-N 1 0 383.492 3.380 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000023127454 570912355 /nfs/dbraw/zinc/91/23/55/570912355.db2.gz DFYFJDAVFYRWRI-UHFFFAOYSA-N 1 0 379.504 3.270 50 0 GGAARO O=C(NCCC1=CCCCC1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127525 570912453 /nfs/dbraw/zinc/91/24/53/570912453.db2.gz KLLUUBQTNSUIKO-UHFFFAOYSA-N 1 0 389.565 3.083 50 0 GGAARO Cc1cc(C)c(NC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)c(C)c1 ZINC000023127499 570912465 /nfs/dbraw/zinc/91/24/65/570912465.db2.gz ZNNMKHYZCSTOBY-UHFFFAOYSA-N 1 0 383.492 3.172 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000023127530 570912505 /nfs/dbraw/zinc/91/25/05/570912505.db2.gz OKYGMBDUBUNVKV-UHFFFAOYSA-N 1 0 389.496 3.163 50 0 GGAARO Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000023127652 570912822 /nfs/dbraw/zinc/91/28/22/570912822.db2.gz IBTDAMAJACHXEX-UHFFFAOYSA-N 1 0 376.497 3.325 50 0 GGAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000023127640 570912969 /nfs/dbraw/zinc/91/29/69/570912969.db2.gz GPSONRMWJRCPTK-UHFFFAOYSA-N 1 0 388.533 3.194 50 0 GGAARO CCCN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H](CC)N1CC[NH+](C)CC1 ZINC000534640065 570913113 /nfs/dbraw/zinc/91/31/13/570913113.db2.gz GKPQJHAAKMFUED-LJQANCHMSA-N 1 0 380.964 3.288 50 0 GGAARO CN(C(=O)NCC1([NH+]2CCN(C)CC2)CCCC1)[C@@H]1CCCc2ccccc21 ZINC000534652359 570914737 /nfs/dbraw/zinc/91/47/37/570914737.db2.gz AHLYQJRYKYRJKL-OAQYLSRUSA-N 1 0 384.568 3.266 50 0 GGAARO CO[C@]12CC[N@H+](Cc3ccncc3Cl)[C@H]1C[C@H](NC(=O)CCSC)CC2 ZINC000534652620 570914799 /nfs/dbraw/zinc/91/47/99/570914799.db2.gz HOIAFPWRHAKCGU-HHXXYDBFSA-N 1 0 397.972 3.116 50 0 GGAARO COCCN(CCOC)C(=O)c1ccc(-c2ccc3[nH+]ccc(N)c3c2)cc1 ZINC000534647906 570917086 /nfs/dbraw/zinc/91/70/86/570917086.db2.gz ZAVUUYXRTRZLOS-UHFFFAOYSA-N 1 0 379.460 3.219 50 0 GGAARO Cc1cccn2c(CC(=O)NC3CC[NH+](Cc4ccccc4F)CC3)cnc12 ZINC000534648608 570917213 /nfs/dbraw/zinc/91/72/13/570917213.db2.gz QBQYHHACYAVJOS-UHFFFAOYSA-N 1 0 380.467 3.105 50 0 GGAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(C(=O)NCC(N)=O)c2)cc1Cl ZINC000534647951 570917332 /nfs/dbraw/zinc/91/73/32/570917332.db2.gz VKDGJKVEHPWBCT-CQSZACIVSA-N 1 0 385.895 3.206 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc(OC)cc1 ZINC000263585868 570918140 /nfs/dbraw/zinc/91/81/40/570918140.db2.gz NJPGXAWJOOZZSK-FXAWDEMLSA-N 1 0 375.513 3.440 50 0 biogenic GGAARO Cc1ccsc1[C@@H](CNC(=O)N(Cc1c(C)nn(C)c1C)C1CC1)[NH+](C)C ZINC000534671733 570920763 /nfs/dbraw/zinc/92/07/63/570920763.db2.gz AFKNBNBFRPAGLP-GOSISDBHSA-N 1 0 389.569 3.384 50 0 GGAARO CN(CCn1ccnc1)C(=O)c1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000534673911 570921546 /nfs/dbraw/zinc/92/15/46/570921546.db2.gz SOUYGEIBFPPVHQ-UHFFFAOYSA-N 1 0 389.503 3.313 50 0 GGAARO C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cccc(-n3cnnc3)c2)c1 ZINC000534674584 570922031 /nfs/dbraw/zinc/92/20/31/570922031.db2.gz CHEBVEIISNUEHH-QGZVFWFLSA-N 1 0 375.476 3.148 50 0 GGAARO C[C@@H](NC(=O)N(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(F)(F)F ZINC000585138621 570951056 /nfs/dbraw/zinc/95/10/56/570951056.db2.gz PANRPMRRGSEQFU-QLFBSQMISA-N 1 0 387.446 3.388 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2c(F)ccc(F)c2F)C[C@H]1CCO ZINC000257371946 570962911 /nfs/dbraw/zinc/96/29/11/570962911.db2.gz OTZFYUUARQWEAV-QGZVFWFLSA-N 1 0 378.438 3.481 50 0 GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)nn1C ZINC000012229257 570972204 /nfs/dbraw/zinc/97/22/04/570972204.db2.gz OXPVCZSBDHANMK-UHFFFAOYSA-N 1 0 393.463 3.215 50 0 GGAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3cc(C)on3)nc21 ZINC000012229628 570972509 /nfs/dbraw/zinc/97/25/09/570972509.db2.gz LETPVHDUFJVFLO-UHFFFAOYSA-N 1 0 394.884 3.463 50 0 GGAARO Cc1ccccc1-c1noc(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000044842093 570979895 /nfs/dbraw/zinc/97/98/95/570979895.db2.gz QDIVUADMTQZBND-UHFFFAOYSA-N 1 0 382.508 3.455 50 0 GGAARO CCCCOc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)c2ccccc12 ZINC000016626840 570987061 /nfs/dbraw/zinc/98/70/61/570987061.db2.gz VJXLYEXGHPZUOQ-UHFFFAOYSA-N 1 0 376.522 3.391 50 0 GGAARO CCOc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000004784256 570988362 /nfs/dbraw/zinc/98/83/62/570988362.db2.gz BCAAQGHVKITKON-UHFFFAOYSA-N 1 0 395.503 3.326 50 0 GGAARO [NH3+]CCCNc1ncc(C(=O)NCc2ccccc2)c(NCC2CCCCC2)n1 ZINC000045319705 570989912 /nfs/dbraw/zinc/98/99/12/570989912.db2.gz AURURKIVWYCSDZ-UHFFFAOYSA-N 1 0 396.539 3.160 50 0 GGAARO CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccccc3F)sc2C(C)(C)[NH2+]1 ZINC000004275262 571040589 /nfs/dbraw/zinc/04/05/89/571040589.db2.gz RCVCZXGAXNFPDR-UHFFFAOYSA-N 1 0 375.469 3.398 50 0 GGAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000095517819 571084661 /nfs/dbraw/zinc/08/46/61/571084661.db2.gz HDKOXYNYPDIPGR-OWOJBTEDSA-N 1 0 394.494 3.348 50 0 GGAARO CC(C)NC(=O)C1CC[NH+](C2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000055153755 1406895061 /nfs/dbraw/zinc/89/50/61/1406895061.db2.gz QVIGBVJQVWJCSK-UHFFFAOYSA-N 1 0 379.495 3.166 50 0 GGAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000055228121 1406906828 /nfs/dbraw/zinc/90/68/28/1406906828.db2.gz AEWHZRREPXTPTI-QGZVFWFLSA-N 1 0 384.476 3.186 50 0 GGAARO Cc1nc(CC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cs1 ZINC000055281531 1406919858 /nfs/dbraw/zinc/91/98/58/1406919858.db2.gz CNGBLCSMPCDEGI-FQEVSTJZSA-N 1 0 398.576 3.116 50 0 GGAARO O=C(/C=C/c1cccnc1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055370542 1406941892 /nfs/dbraw/zinc/94/18/92/1406941892.db2.gz CHWYDIONMMDNFR-FNNZQJQASA-N 1 0 394.494 3.047 50 0 GGAARO Cn1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000055360504 1406939458 /nfs/dbraw/zinc/93/94/58/1406939458.db2.gz CAJTUIGTNICVTG-UHFFFAOYSA-N 1 0 382.899 3.243 50 0 GGAARO C[NH+](C)CCn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCCCC3 ZINC000002360029 1398307859 /nfs/dbraw/zinc/30/78/59/1398307859.db2.gz BUGXPCGONQOKDI-UHFFFAOYSA-N 1 0 397.544 3.104 50 0 GGAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccncc1 ZINC000002400660 1398309474 /nfs/dbraw/zinc/30/94/74/1398309474.db2.gz CSWOIXQECOOFHK-FQEVSTJZSA-N 1 0 391.471 3.465 50 0 GGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002444802 1398311079 /nfs/dbraw/zinc/31/10/79/1398311079.db2.gz XTUNKDLDEWYXCI-ZIAGYGMSSA-N 1 0 387.480 3.270 50 0 GGAARO Cc1ccc(Cl)c(OCn2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2)c1 ZINC000002800464 1398319837 /nfs/dbraw/zinc/31/98/37/1398319837.db2.gz RMHLEOJHTDHADZ-MQVJKMGUSA-N 1 0 388.899 3.236 50 0 GGAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](C)C)c2cccc3ccccc32)cc1 ZINC000002947289 1398322421 /nfs/dbraw/zinc/32/24/21/1398322421.db2.gz PCSWPDIPIXNRBP-IBGZPJMESA-N 1 0 398.528 3.266 50 0 GGAARO C[NH+]1CCN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n32)CC1 ZINC000003063782 1398326684 /nfs/dbraw/zinc/32/66/84/1398326684.db2.gz SAOXTKRRUWLCQU-UHFFFAOYSA-N 1 0 378.867 3.350 50 0 GGAARO NC(=O)CCn1cc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c2ccccc21 ZINC000055393389 1406947258 /nfs/dbraw/zinc/94/72/58/1406947258.db2.gz JTTWJTMKJRSNSH-NRFANRHFSA-N 1 0 387.487 3.244 50 0 GGAARO Cc1oc2cc3oc(=O)c(CCC(=O)NCCC[NH+](C)C)c(C)c3cc2c1C ZINC000004087527 1398379304 /nfs/dbraw/zinc/37/93/04/1398379304.db2.gz NJQDYKFFOZUCTP-UHFFFAOYSA-N 1 0 384.476 3.465 50 0 biogenic GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000004177775 1398382461 /nfs/dbraw/zinc/38/24/61/1398382461.db2.gz CWLFZNJWZKXXNH-DOTOQJQBSA-N 1 0 388.508 3.278 50 0 GGAARO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004280286 1398388798 /nfs/dbraw/zinc/38/87/98/1398388798.db2.gz FHBJHOVWVSGYKI-QFIPXVFZSA-N 1 0 382.504 3.339 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000004295982 1398390357 /nfs/dbraw/zinc/39/03/57/1398390357.db2.gz TYLJDQAACDTXGZ-CQSZACIVSA-N 1 0 387.480 3.414 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CC[NH+](C)C)C3=O ZINC000008549534 1398840201 /nfs/dbraw/zinc/84/02/01/1398840201.db2.gz JEUXUBCPTRBMJM-HXUWFJFHSA-N 1 0 392.455 3.222 50 0 GGAARO CCCC[N@H+](CCCNC(=O)c1c(C)oc2nc[nH]c(=O)c21)Cc1ccccc1 ZINC000008591238 1398841660 /nfs/dbraw/zinc/84/16/60/1398841660.db2.gz ZMUSLFABLOWGEY-UHFFFAOYSA-N 1 0 396.491 3.247 50 0 GGAARO CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000009439666 1398858787 /nfs/dbraw/zinc/85/87/87/1398858787.db2.gz PYQYWVVSOIKLHN-LZNFGNRXSA-N 1 0 393.616 3.438 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000009575576 1398860698 /nfs/dbraw/zinc/86/06/98/1398860698.db2.gz GRYVQZGQTFZMDK-QGZVFWFLSA-N 1 0 390.487 3.374 50 0 GGAARO Cc1cc(C)cc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000009620704 1398861384 /nfs/dbraw/zinc/86/13/84/1398861384.db2.gz GBLHLMSLDXTJJD-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO CC[NH+](CC)CCCNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 ZINC000009892502 1398869387 /nfs/dbraw/zinc/86/93/87/1398869387.db2.gz JGZBDAURPRUUNF-UHFFFAOYSA-N 1 0 397.519 3.216 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000011663615 1399003127 /nfs/dbraw/zinc/00/31/27/1399003127.db2.gz RPYFYBPMZMUMEF-MRXNPFEDSA-N 1 0 384.499 3.064 50 0 GGAARO Cc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCN(Cc1cccnc1)C3=O)OCO2 ZINC000011665507 1399003194 /nfs/dbraw/zinc/00/31/94/1399003194.db2.gz KGOMSMMPIAWXJV-QHCPKHFHSA-N 1 0 393.487 3.133 50 0 GGAARO COCCN(Cc1cc(C)n[nH]1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011661473 1399003201 /nfs/dbraw/zinc/00/32/01/1399003201.db2.gz MAHBOUIDZHUHMY-IBGZPJMESA-N 1 0 382.552 3.046 50 0 GGAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)n1C ZINC000011664008 1399003228 /nfs/dbraw/zinc/00/32/28/1399003228.db2.gz LGQKZCCRUSJYDH-OAQYLSRUSA-N 1 0 388.462 3.021 50 0 GGAARO Cc1nc2cc(OCc3cc(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)no3)ccc2s1 ZINC000011705583 1399005804 /nfs/dbraw/zinc/00/58/04/1399005804.db2.gz DYSGHOKQWPLJQQ-CQSZACIVSA-N 1 0 398.488 3.092 50 0 GGAARO O=C(c1cn([C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)nn1)N1CCCCC1 ZINC000011787662 1399012176 /nfs/dbraw/zinc/01/21/76/1399012176.db2.gz AGGISFLXLXIIQN-WUTDNEBXSA-N 1 0 379.508 3.255 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)nn1 ZINC000011788439 1399012483 /nfs/dbraw/zinc/01/24/83/1399012483.db2.gz UEVGMRWJHLYDHQ-QGZVFWFLSA-N 1 0 375.904 3.251 50 0 GGAARO Cc1ccnn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011816029 1399013776 /nfs/dbraw/zinc/01/37/76/1399013776.db2.gz NEAQBYZULQJILF-HSZRJFAPSA-N 1 0 380.536 3.405 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1 ZINC000011817290 1399014011 /nfs/dbraw/zinc/01/40/11/1399014011.db2.gz RSFQORPWIGOKSG-GOSISDBHSA-N 1 0 388.533 3.194 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CCOCC4)C3)C2)c1 ZINC000011818039 1399014041 /nfs/dbraw/zinc/01/40/41/1399014041.db2.gz MTMNIDHEZSFVCH-JOCHJYFZSA-N 1 0 390.499 3.075 50 0 GGAARO CC[C@@H]1CN(C(=O)c2ccc(NCc3ccncc3C)nc2)CC[N@@H+]1C(C)C ZINC000011820467 1399014166 /nfs/dbraw/zinc/01/41/66/1399014166.db2.gz RZJBKCAEGFXPBN-HXUWFJFHSA-N 1 0 381.524 3.342 50 0 GGAARO Cc1cc(C)n(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)n1 ZINC000011818166 1399014193 /nfs/dbraw/zinc/01/41/93/1399014193.db2.gz STAPQILYPHTHJP-IBGZPJMESA-N 1 0 386.515 3.052 50 0 GGAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000011817576 1399014220 /nfs/dbraw/zinc/01/42/20/1399014220.db2.gz NCLQGXVLFJJSLM-MRXNPFEDSA-N 1 0 380.448 3.013 50 0 GGAARO CCc1noc(C)c1C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011817243 1399014573 /nfs/dbraw/zinc/01/45/73/1399014573.db2.gz XPFIJVFKFDDQRU-LJQANCHMSA-N 1 0 382.508 3.315 50 0 GGAARO c1c[nH]c(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011819465 1399014589 /nfs/dbraw/zinc/01/45/89/1399014589.db2.gz GPRZYPKFNTZLIY-HSZRJFAPSA-N 1 0 394.563 3.270 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCn4cncn4)C3)C2)cc1 ZINC000011818796 1399014637 /nfs/dbraw/zinc/01/46/37/1399014637.db2.gz NDKDDIZNFQPMLJ-HSZRJFAPSA-N 1 0 395.551 3.306 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000011843507 1399015027 /nfs/dbraw/zinc/01/50/27/1399015027.db2.gz VUBBZBSFZRJMDA-CQSZACIVSA-N 1 0 380.414 3.081 50 0 GGAARO C[NH+](C)CCOc1cccc(CN(Cc2ccccn2)C(=O)c2cncs2)c1 ZINC000011913011 1399017393 /nfs/dbraw/zinc/01/73/93/1399017393.db2.gz RWVNSEDGIRGSQR-UHFFFAOYSA-N 1 0 396.516 3.321 50 0 GGAARO Cn1cncc1C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000011935456 1399018107 /nfs/dbraw/zinc/01/81/07/1399018107.db2.gz KPYJZEKFJNJISV-MRXNPFEDSA-N 1 0 388.462 3.073 50 0 GGAARO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)no1 ZINC000011936696 1399018223 /nfs/dbraw/zinc/01/82/23/1399018223.db2.gz RPIVTBIEGYTXTK-MRXNPFEDSA-N 1 0 385.512 3.396 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000011938329 1399018369 /nfs/dbraw/zinc/01/83/69/1399018369.db2.gz NBTSYEOXIKTURS-IBGZPJMESA-N 1 0 375.476 3.152 50 0 GGAARO O=C1NC(=O)[C@](Cc2ccccc2F)(C2CC[NH+](C[C@H]3CC=CCC3)CC2)N1 ZINC000011982102 1399022284 /nfs/dbraw/zinc/02/22/84/1399022284.db2.gz WFVMLYSFDBCSOQ-AOMKIAJQSA-N 1 0 385.483 3.015 50 0 GGAARO COc1ccc(C(=O)N2CCSCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012021930 1399023829 /nfs/dbraw/zinc/02/38/29/1399023829.db2.gz YUZUABUATUBMGF-UHFFFAOYSA-N 1 0 378.538 3.136 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)nn1 ZINC000012037691 1399024380 /nfs/dbraw/zinc/02/43/80/1399024380.db2.gz ADQGYPUJZISQBQ-LJQANCHMSA-N 1 0 392.507 3.145 50 0 GGAARO Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)no1 ZINC000012048058 1399025335 /nfs/dbraw/zinc/02/53/35/1399025335.db2.gz LBJKRSWXUUFMOD-KRWDZBQOSA-N 1 0 387.455 3.066 50 0 GGAARO Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)no1 ZINC000012048060 1399025356 /nfs/dbraw/zinc/02/53/56/1399025356.db2.gz LBJKRSWXUUFMOD-QGZVFWFLSA-N 1 0 387.455 3.066 50 0 GGAARO COc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000012055813 1399025869 /nfs/dbraw/zinc/02/58/69/1399025869.db2.gz GCKONPNTRKFTPI-SFHVURJKSA-N 1 0 385.533 3.412 50 0 GGAARO CSc1ccc(CN2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)cc1 ZINC000012094101 1399027917 /nfs/dbraw/zinc/02/79/17/1399027917.db2.gz KKEKARLZUCWBLG-UHFFFAOYSA-N 1 0 387.593 3.364 50 0 GGAARO Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]C2CCCCC2)C4)cn1 ZINC000012191040 1399032694 /nfs/dbraw/zinc/03/26/94/1399032694.db2.gz KDBHXUNHXQEAGI-MRXNPFEDSA-N 1 0 397.548 3.019 50 0 GGAARO C[C@H]1C[N@H+](CCC(=O)N(C)C[C@@H]2CCCCO2)Cc2cc(Cl)ccc2O1 ZINC000012212133 1399033329 /nfs/dbraw/zinc/03/33/29/1399033329.db2.gz AWOKLVSTISWTQT-YJBOKZPZSA-N 1 0 380.916 3.341 50 0 GGAARO CCn1c2ccccc2c2cc(C[N@H+]3CCC(=O)N(CCOC)CC3)ccc21 ZINC000012242673 1399034239 /nfs/dbraw/zinc/03/42/39/1399034239.db2.gz LCHRUVMWHSDCOV-UHFFFAOYSA-N 1 0 379.504 3.495 50 0 GGAARO CC[N@H+](Cc1ccncc1)Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O ZINC000012243609 1399034324 /nfs/dbraw/zinc/03/43/24/1399034324.db2.gz KDCVLMLEXVLGON-UHFFFAOYSA-N 1 0 399.878 3.245 50 0 GGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CC1(O)CCCCC1)C3 ZINC000012281380 1399036805 /nfs/dbraw/zinc/03/68/05/1399036805.db2.gz HVRUYHUWCIODLO-OAHLLOKOSA-N 1 0 389.565 3.400 50 0 GGAARO O=C(NC[C@@H]1CCCO1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012304111 1399037417 /nfs/dbraw/zinc/03/74/17/1399037417.db2.gz FVAOYQPTIIHYRX-FQEVSTJZSA-N 1 0 395.503 3.034 50 0 GGAARO COc1ncccc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012301043 1399037578 /nfs/dbraw/zinc/03/75/78/1399037578.db2.gz CVQKGNSDRQFVNZ-LJQANCHMSA-N 1 0 381.520 3.425 50 0 GGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000012306467 1399037626 /nfs/dbraw/zinc/03/76/26/1399037626.db2.gz CQHQBEWKPDDJLU-UHFFFAOYSA-N 1 0 395.503 3.370 50 0 GGAARO Cc1nonc1C(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012302881 1399037658 /nfs/dbraw/zinc/03/76/58/1399037658.db2.gz SDRPHUSSBPIACH-QGZVFWFLSA-N 1 0 388.899 3.406 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)cc1OC ZINC000012314531 1399038105 /nfs/dbraw/zinc/03/81/05/1399038105.db2.gz PFJIEJZXLWOWCB-HXUWFJFHSA-N 1 0 397.519 3.186 50 0 GGAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCN(c3ncccn3)C2)c(F)c1 ZINC000012316151 1399038537 /nfs/dbraw/zinc/03/85/37/1399038537.db2.gz SIKMJJBUQZFLHA-CQSZACIVSA-N 1 0 384.434 3.151 50 0 GGAARO O=C1NCCN1c1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)cc1 ZINC000012318897 1399038922 /nfs/dbraw/zinc/03/89/22/1399038922.db2.gz RQXJGNDVHBCVPQ-SFHVURJKSA-N 1 0 394.475 3.021 50 0 GGAARO CN(C(=O)c1cc2c([nH]c1=O)CCCC2)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012373093 1399039811 /nfs/dbraw/zinc/03/98/11/1399039811.db2.gz MRCUMFAWBIVXES-SFHVURJKSA-N 1 0 397.494 3.129 50 0 GGAARO Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCCC[NH+](C)C)cc1 ZINC000012419394 1399041466 /nfs/dbraw/zinc/04/14/66/1399041466.db2.gz LWODRBXRFNTRAZ-UHFFFAOYSA-N 1 0 389.477 3.439 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCc1cccc(F)c1 ZINC000012431236 1399041920 /nfs/dbraw/zinc/04/19/20/1399041920.db2.gz HDMCFQFIGHYNEA-UHFFFAOYSA-N 1 0 389.559 3.413 50 0 GGAARO COc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cc1 ZINC000012432562 1399042045 /nfs/dbraw/zinc/04/20/45/1399042045.db2.gz RVHVIXGZLRRSON-IBGZPJMESA-N 1 0 382.508 3.125 50 0 GGAARO COCc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000012438177 1399042951 /nfs/dbraw/zinc/04/29/51/1399042951.db2.gz WCPRSSQHQYQCLQ-XZOYJPPVSA-N 1 0 392.499 3.331 50 0 GGAARO CN1CCCc2cc(C(=O)N[C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)ccc21 ZINC000012448064 1399043035 /nfs/dbraw/zinc/04/30/35/1399043035.db2.gz SMVYSSZQLYIFHZ-JOCHJYFZSA-N 1 0 389.543 3.431 50 0 GGAARO O=C(CCn1cccn1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012441786 1399043103 /nfs/dbraw/zinc/04/31/03/1399043103.db2.gz NUWTZURBIPUBCQ-HSZRJFAPSA-N 1 0 380.536 3.221 50 0 GGAARO CN1CCCc2cc(C(=O)N[C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)ccc21 ZINC000012448065 1399043120 /nfs/dbraw/zinc/04/31/20/1399043120.db2.gz SMVYSSZQLYIFHZ-QFIPXVFZSA-N 1 0 389.543 3.431 50 0 GGAARO O=C(CCC1CC[NH+](Cc2ccc3nsnc3c2)CC1)NCc1cccnc1 ZINC000012448561 1399043597 /nfs/dbraw/zinc/04/35/97/1399043597.db2.gz ZKSFFJQNIHHYLE-UHFFFAOYSA-N 1 0 395.532 3.395 50 0 GGAARO CCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000012460243 1399043883 /nfs/dbraw/zinc/04/38/83/1399043883.db2.gz WQLZJPVPIBPETG-QHCPKHFHSA-N 1 0 379.504 3.495 50 0 GGAARO Cn1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000012458108 1399043901 /nfs/dbraw/zinc/04/39/01/1399043901.db2.gz LOJORQKAHIXJTR-QFIPXVFZSA-N 1 0 384.499 3.007 50 0 GGAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cnc(-c4cccc(C)c4)nc3)C2)C1 ZINC000012456955 1399043991 /nfs/dbraw/zinc/04/39/91/1399043991.db2.gz OOQXVKFIIQKPFU-HSZRJFAPSA-N 1 0 380.536 3.386 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2ccccc2C(=O)OC)C1 ZINC000012448395 1399044103 /nfs/dbraw/zinc/04/41/03/1399044103.db2.gz DJHFIKFUWOXBBY-GOSISDBHSA-N 1 0 396.491 3.387 50 0 GGAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@@H](O)CO)c(C)s1 ZINC000012472211 1399044765 /nfs/dbraw/zinc/04/47/65/1399044765.db2.gz HFYPPKXHMJENOO-MRXNPFEDSA-N 1 0 389.496 3.142 50 0 GGAARO Cc1cc(CNCc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)on1 ZINC000012581048 1399048260 /nfs/dbraw/zinc/04/82/60/1399048260.db2.gz ZYROAWMZDDKYJX-HXUWFJFHSA-N 1 0 387.524 3.277 50 0 GGAARO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccnc3)C2)c(-c2ccccc2)n1 ZINC000012580142 1399048294 /nfs/dbraw/zinc/04/82/94/1399048294.db2.gz DQUSJGPPQMADIU-GOSISDBHSA-N 1 0 389.503 3.124 50 0 GGAARO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)nc(C)n1 ZINC000012583969 1399048902 /nfs/dbraw/zinc/04/89/02/1399048902.db2.gz KXTDRPZGHRNCHV-GOSISDBHSA-N 1 0 384.499 3.259 50 0 GGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCc2ccon2)c1 ZINC000012593474 1399049729 /nfs/dbraw/zinc/04/97/29/1399049729.db2.gz FJUYGNXOJZSCQS-UHFFFAOYSA-N 1 0 399.491 3.399 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1ccc(C)n1 ZINC000012593721 1399049743 /nfs/dbraw/zinc/04/97/43/1399049743.db2.gz AITYUNCQEZMICJ-OAQYLSRUSA-N 1 0 398.551 3.003 50 0 GGAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000012597012 1399049780 /nfs/dbraw/zinc/04/97/80/1399049780.db2.gz POHOVTGVQCZHGZ-JOCHJYFZSA-N 1 0 392.547 3.424 50 0 GGAARO COCc1ccc([C@@H]2C[C@H]3CN(c4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000012704698 1399054546 /nfs/dbraw/zinc/05/45/46/1399054546.db2.gz GXAYVJFHYRXOMF-VPKVUBIPSA-N 1 0 382.460 3.377 50 0 GGAARO CN(C(=O)CCN1CCCCCC1=O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012708668 1399054717 /nfs/dbraw/zinc/05/47/17/1399054717.db2.gz ZGOFCEVGRMRDSY-QFIPXVFZSA-N 1 0 399.579 3.335 50 0 GGAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(NCc2ccc3c(c2)OCO3)nc1 ZINC000012710140 1399054892 /nfs/dbraw/zinc/05/48/92/1399054892.db2.gz XBXQJNINVYIIPM-GOSISDBHSA-N 1 0 396.491 3.027 50 0 GGAARO O=C(c1ccc(N2CCSCC2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012718544 1399055266 /nfs/dbraw/zinc/05/52/66/1399055266.db2.gz GIWWUCXAOHAFLV-UHFFFAOYSA-N 1 0 388.581 3.115 50 0 GGAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012835761 1399060791 /nfs/dbraw/zinc/06/07/91/1399060791.db2.gz WSBZGFSURPXWEX-FQEVSTJZSA-N 1 0 377.435 3.086 50 0 GGAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012835759 1399060805 /nfs/dbraw/zinc/06/08/05/1399060805.db2.gz WSBZGFSURPXWEX-HXUWFJFHSA-N 1 0 377.435 3.086 50 0 GGAARO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([NH2+]CCc1ccccc1)C2 ZINC000014534034 1399109961 /nfs/dbraw/zinc/10/99/61/1399109961.db2.gz NKPZCTPNMFDEJS-KRWDZBQOSA-N 1 0 394.544 3.101 50 0 GGAARO O=C(NCCc1c[nH]c2ccccc12)[C@H]1C[NH2+]C[C@@H](COc2cccc(F)c2)C1 ZINC000014731321 1399117395 /nfs/dbraw/zinc/11/73/95/1399117395.db2.gz KNMJHKUUMUSLFB-FUHWJXTLSA-N 1 0 395.478 3.270 50 0 GGAARO O=C(NCCCc1ccncc1)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014888748 1399124434 /nfs/dbraw/zinc/12/44/34/1399124434.db2.gz BHAIRVRSAFPPHL-OAQYLSRUSA-N 1 0 379.504 3.138 50 0 GGAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014881329 1399124560 /nfs/dbraw/zinc/12/45/60/1399124560.db2.gz CWUVMYYNIVTVPD-NRFANRHFSA-N 1 0 394.515 3.362 50 0 GGAARO Cc1ccc2cc(C[N@H+](C)CCn3cccn3)c(=O)n(Cc3ccccn3)c2c1 ZINC000014880410 1399124590 /nfs/dbraw/zinc/12/45/90/1399124590.db2.gz ICALNTSZFFJJHQ-UHFFFAOYSA-N 1 0 387.487 3.082 50 0 GGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1OC ZINC000014959025 1399128829 /nfs/dbraw/zinc/12/88/29/1399128829.db2.gz CNTJKPVSUWLLDK-QHCPKHFHSA-N 1 0 398.551 3.279 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccc(C)nc2)CC1 ZINC000014949907 1399128916 /nfs/dbraw/zinc/12/89/16/1399128916.db2.gz NSSZEJVKGDERBR-UHFFFAOYSA-N 1 0 381.520 3.425 50 0 GGAARO COc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000014968620 1399129362 /nfs/dbraw/zinc/12/93/62/1399129362.db2.gz QBQLIAKPTHYZKO-NRFANRHFSA-N 1 0 388.462 3.252 50 0 GGAARO O=C(CC[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000014979446 1399129772 /nfs/dbraw/zinc/12/97/72/1399129772.db2.gz QPGLYEZPOUPLHH-HXUWFJFHSA-N 1 0 384.568 3.161 50 0 GGAARO C=CCN1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000015006127 1399130871 /nfs/dbraw/zinc/13/08/71/1399130871.db2.gz OIPPUNCSJWACDI-WMZOPIPTSA-N 1 0 388.508 3.124 50 0 GGAARO C[NH+](C)CCOc1cccc(CN(Cc2ccccn2)C(=O)c2ccco2)c1 ZINC000014998953 1399130941 /nfs/dbraw/zinc/13/09/41/1399130941.db2.gz OVEFQYBPJZGDBV-UHFFFAOYSA-N 1 0 379.460 3.458 50 0 GGAARO O=C(NCc1ccco1)[C@H]1CC12CC[NH+](Cc1cccn1-c1ccccn1)CC2 ZINC000015008930 1399131591 /nfs/dbraw/zinc/13/15/91/1399131591.db2.gz YFJZZZJREQHWPR-HXUWFJFHSA-N 1 0 390.487 3.384 50 0 GGAARO O=C(NCc1ccco1)[C@@H]1CC12CC[NH+](Cc1cccn1-c1ccccn1)CC2 ZINC000015008927 1399131710 /nfs/dbraw/zinc/13/17/10/1399131710.db2.gz YFJZZZJREQHWPR-FQEVSTJZSA-N 1 0 390.487 3.384 50 0 GGAARO COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)c1OC ZINC000015063866 1399136210 /nfs/dbraw/zinc/13/62/10/1399136210.db2.gz MFJIWCAEGPOFKX-QZTJIDSGSA-N 1 0 382.932 3.168 50 0 GGAARO O=C(CCn1cnc2ccccc21)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015073234 1399136585 /nfs/dbraw/zinc/13/65/85/1399136585.db2.gz SHNHRKQZESWNPJ-FQEVSTJZSA-N 1 0 376.504 3.250 50 0 GGAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000015079549 1399137362 /nfs/dbraw/zinc/13/73/62/1399137362.db2.gz IDHRCYKNJBKVJK-HNNXBMFYSA-N 1 0 378.538 3.041 50 0 GGAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000019146989 1399326356 /nfs/dbraw/zinc/32/63/56/1399326356.db2.gz FCRHRWRLDHOVHS-UHFFFAOYSA-N 1 0 382.468 3.241 50 0 GGAARO c1cc(-c2ccc(N3CCC([NH2+]CCn4nnc5ccccc54)CC3)cc2)n[nH]1 ZINC000019146846 1399326422 /nfs/dbraw/zinc/32/64/22/1399326422.db2.gz ISMSWOWZNBACPC-UHFFFAOYSA-N 1 0 387.491 3.080 50 0 GGAARO CCOCc1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)ccc1OC ZINC000019641096 1399333285 /nfs/dbraw/zinc/33/32/85/1399333285.db2.gz WBJWBNIKPWYDTF-FQEVSTJZSA-N 1 0 378.557 3.146 50 0 GGAARO O=C([C@H]1CCC[NH2+]CC1)N1CCC(n2cc(-c3cccc(Cl)c3)nn2)CC1 ZINC000020205490 1399343390 /nfs/dbraw/zinc/34/33/90/1399343390.db2.gz XCGJXAMNSLPXFE-HNNXBMFYSA-N 1 0 387.915 3.152 50 0 GGAARO O=C([C@@H]1CCC[NH2+]CC1)N1CCC(n2cc(-c3cccc(Cl)c3)nn2)CC1 ZINC000020205486 1399343897 /nfs/dbraw/zinc/34/38/97/1399343897.db2.gz XCGJXAMNSLPXFE-OAHLLOKOSA-N 1 0 387.915 3.152 50 0 GGAARO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000020599376 1399349335 /nfs/dbraw/zinc/34/93/35/1399349335.db2.gz JBFBHXYNDQAOJR-QGZVFWFLSA-N 1 0 390.578 3.152 50 0 GGAARO CC1(C)C[C@H](C[NH2+]Cc2cccnc2N2CCN(c3ccccn3)CC2)CCO1 ZINC000020598457 1399349554 /nfs/dbraw/zinc/34/95/54/1399349554.db2.gz XLBUBIHOIKZQLQ-LJQANCHMSA-N 1 0 395.551 3.098 50 0 GGAARO Clc1ccc(-c2n[nH]cc2C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000020600995 1399350265 /nfs/dbraw/zinc/35/02/65/1399350265.db2.gz ABZOVELRNARRHF-KRWDZBQOSA-N 1 0 398.898 3.231 50 0 GGAARO CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1ccc(CC)cc1)CC2)C(C)C ZINC000020782796 1399352656 /nfs/dbraw/zinc/35/26/56/1399352656.db2.gz CCVSAEMFWZQIRT-OAQYLSRUSA-N 1 0 383.540 3.122 50 0 GGAARO CC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(C5CCCC5)c(=O)c34)C2)CC1 ZINC000020821227 1399354521 /nfs/dbraw/zinc/35/45/21/1399354521.db2.gz LNDFYXRZWPPVAR-MRXNPFEDSA-N 1 0 386.565 3.068 50 0 GGAARO Cc1nccn1CCC[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000020908280 1399357119 /nfs/dbraw/zinc/35/71/19/1399357119.db2.gz BFIAEHMYYQIRRF-SFHVURJKSA-N 1 0 395.551 3.356 50 0 GGAARO Cc1cccc(C[C@H](C)[NH2+]Cc2c(C(=O)N3CCCC3)nc3sccn23)n1 ZINC000020997393 1399360402 /nfs/dbraw/zinc/36/04/02/1399360402.db2.gz OVCVNWWPJJCVKF-HNNXBMFYSA-N 1 0 383.521 3.056 50 0 GGAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582409 1399479747 /nfs/dbraw/zinc/47/97/47/1399479747.db2.gz PAYDRDOPAFKFNK-NRFANRHFSA-N 1 0 385.939 3.296 50 0 GGAARO Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582405 1399480013 /nfs/dbraw/zinc/48/00/13/1399480013.db2.gz PAYDRDOPAFKFNK-OAQYLSRUSA-N 1 0 385.939 3.296 50 0 GGAARO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1C1CCCCC1 ZINC000022932829 1399518384 /nfs/dbraw/zinc/51/83/84/1399518384.db2.gz QRRDCYOXAFTKGX-NRFANRHFSA-N 1 0 396.535 3.470 50 0 GGAARO c1cc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930637 1399518511 /nfs/dbraw/zinc/51/85/11/1399518511.db2.gz NNOYHYSFPZWVTJ-FQEVSTJZSA-N 1 0 399.560 3.259 50 0 GGAARO Cc1nc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cs1 ZINC000023159037 1399536124 /nfs/dbraw/zinc/53/61/24/1399536124.db2.gz UIQWSAQYIVESQQ-UXHICEINSA-N 1 0 397.544 3.137 50 0 GGAARO CCn1cc(C[N@H+](CC)Cc2cccc(-c3nc4c(c(=O)[nH]3)CCC4)c2)cn1 ZINC000023310640 1399549179 /nfs/dbraw/zinc/54/91/79/1399549179.db2.gz ALIAPBPWEFAXIT-UHFFFAOYSA-N 1 0 377.492 3.164 50 0 GGAARO OC1(c2cn(C[C@H]3CCC[N@H+](Cc4c[nH]c5ccccc45)C3)nn2)CCCC1 ZINC000023339264 1399550710 /nfs/dbraw/zinc/55/07/10/1399550710.db2.gz HLNQVUWKTISKIR-KRWDZBQOSA-N 1 0 379.508 3.433 50 0 GGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000023338651 1399550910 /nfs/dbraw/zinc/55/09/10/1399550910.db2.gz DYBCPGRQQNCCLT-HXUWFJFHSA-N 1 0 390.487 3.117 50 0 GGAARO CCOc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)ccc1O ZINC000023374663 1399554051 /nfs/dbraw/zinc/55/40/51/1399554051.db2.gz GJXVCLLHAAEGDU-NRFANRHFSA-N 1 0 384.520 3.168 50 0 GGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@H+](C)CCc1cnn(C)c1)C3 ZINC000023380043 1399554584 /nfs/dbraw/zinc/55/45/84/1399554584.db2.gz VBQBYOCKJQOIPZ-MRXNPFEDSA-N 1 0 399.564 3.023 50 0 GGAARO Cc1nccn1-c1ccc(N2CCC([NH2+]CCc3nncn3C(C)C)CC2)cc1 ZINC000023543134 1399569414 /nfs/dbraw/zinc/56/94/14/1399569414.db2.gz XFNQSBCMTQUGLP-UHFFFAOYSA-N 1 0 393.539 3.154 50 0 GGAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000043119861 1403712189 /nfs/dbraw/zinc/71/21/89/1403712189.db2.gz JDRIMHFGEVROSH-DLBZAZTESA-N 1 0 394.462 3.121 50 0 GGAARO O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000047832714 1404967772 /nfs/dbraw/zinc/96/77/72/1404967772.db2.gz QVFSFTSFNWBAHW-GOSISDBHSA-N 1 0 384.549 3.094 50 0 GGAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccc(C4CCCCC4)s3)C[C@H]2O)CC1 ZINC000048179196 1405087617 /nfs/dbraw/zinc/08/76/17/1405087617.db2.gz AYBBVXMRVPWZAU-WOJBJXKFSA-N 1 0 378.582 3.188 50 0 GGAARO CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000056784502 1407430406 /nfs/dbraw/zinc/43/04/06/1407430406.db2.gz XGBYKEWXRDHTRH-SFHVURJKSA-N 1 0 375.513 3.440 50 0 GGAARO CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC1 ZINC000056784503 1407430659 /nfs/dbraw/zinc/43/06/59/1407430659.db2.gz XGBYKEWXRDHTRH-GOSISDBHSA-N 1 0 375.513 3.440 50 0 GGAARO COc1cccc(N2C[C@@H]3C[C@@H](c4cccc5nonc54)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000059331475 1407919651 /nfs/dbraw/zinc/91/96/51/1407919651.db2.gz ILOCQKUSTKIARF-DVXDUOKCSA-N 1 0 390.443 3.174 50 0 GGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000062373972 1408246414 /nfs/dbraw/zinc/24/64/14/1408246414.db2.gz QRLCZYIZLZZRJN-NSHDSACASA-N 1 0 379.810 3.449 50 0 GGAARO Cc1ccc2c(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063833280 1408423393 /nfs/dbraw/zinc/42/33/93/1408423393.db2.gz KXWNZXOUDKGXNK-SFHVURJKSA-N 1 0 391.519 3.418 50 0 GGAARO CCOc1ccccc1C(=O)N1CCC[C@]2(CC[N@H+](Cc3cnc(C)[nH]3)C2)C1 ZINC000067974300 1409267398 /nfs/dbraw/zinc/26/73/98/1409267398.db2.gz RBXMPJDMSRWDNE-JOCHJYFZSA-N 1 0 382.508 3.245 50 0 GGAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000068525380 1409426481 /nfs/dbraw/zinc/42/64/81/1409426481.db2.gz QRLCZYIZLZZRJN-LLVKDONJSA-N 1 0 379.810 3.449 50 0 GGAARO COc1ccc(-c2csc3c2c(N)nc(=O)n3CC[NH+]2CCCCC2)cc1 ZINC000071281300 1409823119 /nfs/dbraw/zinc/82/31/19/1409823119.db2.gz LIYSENBQCTTYMJ-UHFFFAOYSA-N 1 0 384.505 3.202 50 0 GGAARO O[C@H]1[C@H](n2cc(-c3cccc(Cl)c3)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072165947 1409849418 /nfs/dbraw/zinc/84/94/18/1409849418.db2.gz UJXKLBHKRYWYOS-UXHICEINSA-N 1 0 380.879 3.184 50 0 GGAARO COc1ccc(CC(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1OC ZINC000077104037 1409893375 /nfs/dbraw/zinc/89/33/75/1409893375.db2.gz HPHREUDQQFWRJN-UHFFFAOYSA-N 1 0 388.533 3.304 50 0 GGAARO O=C(NCCC1=CCCCC1)C(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104272 1409893383 /nfs/dbraw/zinc/89/33/83/1409893383.db2.gz PZAHTDJDMKVNFZ-UHFFFAOYSA-N 1 0 389.565 3.050 50 0 GGAARO COc1ccc(CCNC(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077104373 1409893550 /nfs/dbraw/zinc/89/35/50/1409893550.db2.gz KXCAZBRLZWDRPZ-UHFFFAOYSA-N 1 0 387.549 3.478 50 0 GGAARO COc1ccc(CNC(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 ZINC000077171677 1409893715 /nfs/dbraw/zinc/89/37/15/1409893715.db2.gz YXJHFEQAINYQRD-OAQYLSRUSA-N 1 0 380.492 3.289 50 0 GGAARO Cn1cc([C@@H](CNC(=O)/C=C/c2ccc3c(c2)OCO3)[NH+](C)C)c2ccccc21 ZINC000077171661 1409893894 /nfs/dbraw/zinc/89/38/94/1409893894.db2.gz PFEWYKODEMJTFZ-WAEYIKQSSA-N 1 0 391.471 3.339 50 0 GGAARO COc1ccc(CNC(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 ZINC000077171678 1409893921 /nfs/dbraw/zinc/89/39/21/1409893921.db2.gz YXJHFEQAINYQRD-NRFANRHFSA-N 1 0 380.492 3.289 50 0 GGAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@@H]3CCCN(Cc4cccnc4)C3)[nH]c12 ZINC000091595905 1410074081 /nfs/dbraw/zinc/07/40/81/1410074081.db2.gz RYSKTWXQLFJAFT-LJQANCHMSA-N 1 0 376.504 3.294 50 0 GGAARO Cc1nc2ccccc2nc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000092065045 1410103953 /nfs/dbraw/zinc/10/39/53/1410103953.db2.gz GWPRLUKYKSOOEJ-FUHWJXTLSA-N 1 0 379.533 3.491 50 0 GGAARO CC[NH+](CC)CCCN1C(=O)c2ccccc2[C@H]1S(=O)(=O)c1ccccc1 ZINC000096027041 1410322897 /nfs/dbraw/zinc/32/28/97/1410322897.db2.gz DCEHHSHWHMVWKS-OAQYLSRUSA-N 1 0 386.517 3.347 50 0 GGAARO O=C(c1cnc2ccccc2n1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225688651 1433367751 /nfs/dbraw/zinc/36/77/51/1433367751.db2.gz ZCJOMXIOOFALKC-UHFFFAOYSA-N 1 0 378.501 3.354 50 0 GGAARO Cc1c(C)c(=O)oc2cc(OCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc12 ZINC000229712893 1433372025 /nfs/dbraw/zinc/37/20/25/1433372025.db2.gz HCVVNZPIPGXUFG-XLIONFOSSA-N 1 0 398.503 3.169 50 0 GGAARO CC(C)Cc1ccc(CN2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)s1 ZINC000230576868 1433372908 /nfs/dbraw/zinc/37/29/08/1433372908.db2.gz QNTKTONVIXMZOF-HXUWFJFHSA-N 1 0 376.570 3.144 50 0 GGAARO COc1ccccc1/C=C/C[NH2+][C@H]1CC[C@@H](n2cc(C(=O)NC(C)C)nn2)CC1 ZINC000247992639 1433762137 /nfs/dbraw/zinc/76/21/37/1433762137.db2.gz KZNSKFUPEQTMRY-ATMNSAGYSA-N 1 0 397.523 3.212 50 0 GGAARO CCOC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000253487654 1433867961 /nfs/dbraw/zinc/86/79/61/1433867961.db2.gz NGNDKPBQSHRIRV-SFKLTBGCSA-N 1 0 390.524 3.075 50 0 GGAARO CCOC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@@H]23)CC1 ZINC000253487652 1433868035 /nfs/dbraw/zinc/86/80/35/1433868035.db2.gz NGNDKPBQSHRIRV-KZDORUHUSA-N 1 0 390.524 3.075 50 0 GGAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000172567155 231028408 /nfs/dbraw/zinc/02/84/08/231028408.db2.gz PDMYSFOPAPAWDC-UHFFFAOYSA-N 1 0 381.524 3.211 50 0 GGAARO O=C(NCC1([NH+]2CCOCC2)CCCCCC1)N1CCOc2ccccc2C1 ZINC000426433636 231220653 /nfs/dbraw/zinc/22/06/53/231220653.db2.gz KDUDDUKFCSPKPZ-UHFFFAOYSA-N 1 0 387.524 3.016 50 0 GGAARO O=C(NCCCCC[NH+]1CCOCC1)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000426429847 231220917 /nfs/dbraw/zinc/22/09/17/231220917.db2.gz RMIOCHRGWRROGG-QGZVFWFLSA-N 1 0 379.932 3.341 50 0 GGAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cnn(C(C)C)c1 ZINC000409415217 231203837 /nfs/dbraw/zinc/20/38/37/231203837.db2.gz XCMIKKRHZHVNSQ-AZUAARDMSA-N 1 0 376.545 3.207 50 0 biogenic GGAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409414907 231203876 /nfs/dbraw/zinc/20/38/76/231203876.db2.gz YMOPELVKFMIKIS-WIYYLYMNSA-N 1 0 390.572 3.351 50 0 GGAARO COc1ccccc1CN1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019359707 210243813 /nfs/dbraw/zinc/24/38/13/210243813.db2.gz QVDZSEMYPHHKQG-UHFFFAOYSA-N 1 0 379.548 3.477 50 0 GGAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C1 ZINC000426379665 231210817 /nfs/dbraw/zinc/21/08/17/231210817.db2.gz KBJCHGXBFZPQMM-FQEVSTJZSA-N 1 0 376.859 3.285 50 0 GGAARO CCc1oc(C(=O)NCC[C@H]2COc3ccccc3O2)cc1C[NH+]1CCCC1 ZINC000426396066 231213064 /nfs/dbraw/zinc/21/30/64/231213064.db2.gz YHEMQQFOOGGQFH-KRWDZBQOSA-N 1 0 384.476 3.398 50 0 GGAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccn4)cc3)C2)n1 ZINC000426479115 231225730 /nfs/dbraw/zinc/22/57/30/231225730.db2.gz RASWXCMGCGBGRN-HXUWFJFHSA-N 1 0 392.503 3.229 50 0 GGAARO Clc1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C[C@H]2CCCO2)nc1 ZINC000426477807 231226441 /nfs/dbraw/zinc/22/64/41/231226441.db2.gz YSBSQFWFDMIVJV-CQSZACIVSA-N 1 0 379.917 3.124 50 0 GGAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426493091 231229149 /nfs/dbraw/zinc/22/91/49/231229149.db2.gz VVIKZTWMLBLPHG-SFHVURJKSA-N 1 0 378.524 3.272 50 0 GGAARO CN(C(=O)NCCc1nc2ccccc2n1C)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000426512328 231232731 /nfs/dbraw/zinc/23/27/31/231232731.db2.gz UZDYHXHPCYZUCD-FQEVSTJZSA-N 1 0 379.508 3.060 50 0 GGAARO Cc1nc2c(NC(=O)NC[C@H](c3ccccc3F)[NH+]3CCCC3)cccn2n1 ZINC000426597266 231244880 /nfs/dbraw/zinc/24/48/80/231244880.db2.gz QVQDQUPQDFXCKH-GOSISDBHSA-N 1 0 382.443 3.135 50 0 GGAARO Cc1nnc(-c2ccccc2-c2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)c2)o1 ZINC000426470473 231222932 /nfs/dbraw/zinc/22/29/32/231222932.db2.gz BFADXCAESDXDJE-GOSISDBHSA-N 1 0 376.460 3.488 50 0 GGAARO Cc1c2[nH]cnc2cc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1C ZINC000426465437 231223510 /nfs/dbraw/zinc/22/35/10/231223510.db2.gz JZGYHKFTXVQLRE-UHFFFAOYSA-N 1 0 378.480 3.361 50 0 GGAARO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2ccncc2F)cc1 ZINC000426738956 231256493 /nfs/dbraw/zinc/25/64/93/231256493.db2.gz ABCITPSNSUMVTD-LJQANCHMSA-N 1 0 383.467 3.261 50 0 GGAARO COc1cccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1OC ZINC000019335364 210242334 /nfs/dbraw/zinc/24/23/34/210242334.db2.gz SMBXJMKCWBMSGP-UHFFFAOYSA-N 1 0 392.503 3.139 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N(C)[C@H]4CC[N@H+](C)C4)csc3C2)nc1 ZINC000426487437 529642103 /nfs/dbraw/zinc/64/21/03/529642103.db2.gz PNJLZVXOIKPALT-SFHVURJKSA-N 1 0 398.576 3.040 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)NCC[C@@H]4CCC[NH2+]4)csc3C2)nc1 ZINC000426439139 529644381 /nfs/dbraw/zinc/64/43/81/529644381.db2.gz ZRTAEHJNVWFPEA-KRWDZBQOSA-N 1 0 398.576 3.136 50 0 GGAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000019229174 210233187 /nfs/dbraw/zinc/23/31/87/210233187.db2.gz KFPARXQGJWEWNI-KRWDZBQOSA-N 1 0 393.491 3.037 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)o1 ZINC000019228597 210232637 /nfs/dbraw/zinc/23/26/37/210232637.db2.gz SVVLGUGOMNKOLY-LJQANCHMSA-N 1 0 399.535 3.221 50 0 GGAARO CC(=O)N1CCN(C(=O)c2ccc([C@@H]3CCC[N@H+]3C/C=C/C(C)C)s2)CC1 ZINC000019146567 210228909 /nfs/dbraw/zinc/22/89/09/210228909.db2.gz VKRSKIAFBJUOJY-JXTAAOLFSA-N 1 0 389.565 3.402 50 0 GGAARO C[N@H+](CCc1cn[nH]c1)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000019145735 210228630 /nfs/dbraw/zinc/22/86/30/210228630.db2.gz GXPLQUWEBQCRID-UHFFFAOYSA-N 1 0 377.492 3.103 50 0 GGAARO CN(C)C(=O)c1cccnc1-c1cccc(-c2ccn(CC[NH+]3CCCC3)n2)c1 ZINC000019113853 210226331 /nfs/dbraw/zinc/22/63/31/210226331.db2.gz FLVUCHFJXPMWBN-UHFFFAOYSA-N 1 0 389.503 3.410 50 0 GGAARO COc1ccccc1OCC[NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000016695458 210195050 /nfs/dbraw/zinc/19/50/50/210195050.db2.gz KDCQJORMUGTUDU-KRWDZBQOSA-N 1 0 382.504 3.420 50 0 GGAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 ZINC000016610316 210192926 /nfs/dbraw/zinc/19/29/26/210192926.db2.gz HVKYLEPXPKZWLP-OAHLLOKOSA-N 1 0 383.492 3.353 50 0 GGAARO CCOc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc(OCC)c1OCC ZINC000016604713 210190371 /nfs/dbraw/zinc/19/03/71/210190371.db2.gz ONULRPRZMCLWQN-UHFFFAOYSA-N 1 0 378.513 3.485 50 0 GGAARO Cn1nnnc1SCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000016363671 210189752 /nfs/dbraw/zinc/18/97/52/210189752.db2.gz NEUGNQJXOTYOEJ-UHFFFAOYSA-N 1 0 389.912 3.324 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000015825129 210170966 /nfs/dbraw/zinc/17/09/66/210170966.db2.gz VOQKPIUUDDWYTO-UHFFFAOYSA-N 1 0 380.496 3.129 50 0 GGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409415155 529949810 /nfs/dbraw/zinc/94/98/10/529949810.db2.gz VJPYQZQXTDYNTI-YJBOKZPZSA-N 1 0 380.492 3.306 50 0 GGAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409415153 529966846 /nfs/dbraw/zinc/96/68/46/529966846.db2.gz VJPYQZQXTDYNTI-CRAIPNDOSA-N 1 0 380.492 3.306 50 0 GGAARO CN(Cc1ccc(-c2ccccc2)cc1)C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000426551918 529982260 /nfs/dbraw/zinc/98/22/60/529982260.db2.gz BTRVBVMODMKNLK-FQEVSTJZSA-N 1 0 381.520 3.199 50 0 GGAARO CN(Cc1ccc(-c2ccccc2)cc1)C(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000426551919 529982605 /nfs/dbraw/zinc/98/26/05/529982605.db2.gz BTRVBVMODMKNLK-HXUWFJFHSA-N 1 0 381.520 3.199 50 0 GGAARO CC[N@@H+]1CCC[C@H]1Cn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1N ZINC000015080883 210151882 /nfs/dbraw/zinc/15/18/82/210151882.db2.gz GDPLAIBXCJHDLV-INIZCTEOSA-N 1 0 379.501 3.143 50 0 GGAARO Cc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000015075669 210151520 /nfs/dbraw/zinc/15/15/20/210151520.db2.gz IZWZXNMVZNDXAB-FQEVSTJZSA-N 1 0 399.579 3.109 50 0 GGAARO Cc1ccc(C)c(C[NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)c1 ZINC000015074275 210151532 /nfs/dbraw/zinc/15/15/32/210151532.db2.gz DYSKOFVKEINCGY-OAQYLSRUSA-N 1 0 380.536 3.469 50 0 GGAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@H](CCC(=O)N4CCOCC4)C3)CC2)c1 ZINC000015076920 210151552 /nfs/dbraw/zinc/15/15/52/210151552.db2.gz WETQFOXHPHRTDX-OAQYLSRUSA-N 1 0 399.579 3.315 50 0 GGAARO O=C(NC1CCOCC1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000015074497 210151246 /nfs/dbraw/zinc/15/12/46/210151246.db2.gz ALGCARLJGJOCNC-UHFFFAOYSA-N 1 0 395.503 3.034 50 0 GGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCc1cn2ccccc2n1 ZINC000426707192 530001499 /nfs/dbraw/zinc/00/14/99/530001499.db2.gz KYOLTVXTFDKIJJ-UHFFFAOYSA-N 1 0 377.492 3.272 50 0 GGAARO Clc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 ZINC000015074282 210151068 /nfs/dbraw/zinc/15/10/68/210151068.db2.gz UIHFJZUPGWBBLY-GOSISDBHSA-N 1 0 390.915 3.467 50 0 GGAARO CN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194412615 529991620 /nfs/dbraw/zinc/99/16/20/529991620.db2.gz BKOJETZNPDVRJA-LJQANCHMSA-N 1 0 381.476 3.079 50 0 GGAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]C1(c2ccccc2)CC1 ZINC000015074605 210150280 /nfs/dbraw/zinc/15/02/80/210150280.db2.gz MTJMOMSPQXTZDZ-QFIPXVFZSA-N 1 0 386.442 3.097 50 0 GGAARO C[NH2+]Cc1nnc(SCc2nc3ccccc3s2)n1C[C@@H]1CCCO1 ZINC000426361859 530011238 /nfs/dbraw/zinc/01/12/38/530011238.db2.gz YPCHFGMQRRNDON-LBPRGKRZSA-N 1 0 375.523 3.079 50 0 GGAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]C1(c2ccccc2)CC1 ZINC000015074604 210150332 /nfs/dbraw/zinc/15/03/32/210150332.db2.gz MTJMOMSPQXTZDZ-JOCHJYFZSA-N 1 0 386.442 3.097 50 0 GGAARO COc1ccccc1-n1cc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)cn1 ZINC000015073977 210149508 /nfs/dbraw/zinc/14/95/08/210149508.db2.gz HECOCJBNLKRLCF-UHFFFAOYSA-N 1 0 382.508 3.152 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000015072248 210148666 /nfs/dbraw/zinc/14/86/66/210148666.db2.gz RIWJKPXXJGCEQZ-OAQYLSRUSA-N 1 0 393.531 3.187 50 0 GGAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000015066643 210148735 /nfs/dbraw/zinc/14/87/35/210148735.db2.gz IMZQHOWAINHXIU-UHFFFAOYSA-N 1 0 378.480 3.014 50 0 GGAARO COC[C@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000015067078 210148774 /nfs/dbraw/zinc/14/87/74/210148774.db2.gz ZTHXDPJVPVMKGO-QGZVFWFLSA-N 1 0 389.858 3.429 50 0 GGAARO CN(Cc1cnc2ccccn12)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000426523288 530016164 /nfs/dbraw/zinc/01/61/64/530016164.db2.gz ZAZSGIWXNJRMJZ-IBGZPJMESA-N 1 0 377.492 3.140 50 0 GGAARO CN(Cc1noc(C2CC2)n1)C(=O)NCC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426578857 530031863 /nfs/dbraw/zinc/03/18/63/530031863.db2.gz RYZCRFGCWLPENB-KRWDZBQOSA-N 1 0 375.517 3.276 50 0 GGAARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cccc3nonc31)CC2 ZINC000426515546 530046387 /nfs/dbraw/zinc/04/63/87/530046387.db2.gz OWNUDTGJXLXDIB-SFHVURJKSA-N 1 0 376.460 3.203 50 0 GGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000426510888 530049915 /nfs/dbraw/zinc/04/99/15/530049915.db2.gz SNKSLNBLRWAFEZ-UHFFFAOYSA-N 1 0 375.476 3.004 50 0 GGAARO COc1ccccc1C[NH+]1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000015065809 210147318 /nfs/dbraw/zinc/14/73/18/210147318.db2.gz KMIWGIVYRSETFD-UHFFFAOYSA-N 1 0 391.475 3.376 50 0 GGAARO COC[C@@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000015067076 210147134 /nfs/dbraw/zinc/14/71/34/210147134.db2.gz ZTHXDPJVPVMKGO-KRWDZBQOSA-N 1 0 389.858 3.429 50 0 GGAARO COCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015066006 210147192 /nfs/dbraw/zinc/14/71/92/210147192.db2.gz CJLZPRQZDXFPGZ-FQEVSTJZSA-N 1 0 392.515 3.082 50 0 GGAARO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015064060 210146397 /nfs/dbraw/zinc/14/63/97/210146397.db2.gz WPVITNQLWKIYKI-UHFFFAOYSA-N 1 0 387.915 3.070 50 0 GGAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(-n3cccn3)cc2C)CC1 ZINC000015062003 210146164 /nfs/dbraw/zinc/14/61/64/210146164.db2.gz HGPPAVDQUBQRLP-UHFFFAOYSA-N 1 0 378.480 3.173 50 0 GGAARO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000015064268 210145486 /nfs/dbraw/zinc/14/54/86/210145486.db2.gz GXBBBPVOTIDVHP-QGZVFWFLSA-N 1 0 387.421 3.281 50 0 GGAARO O=C(NC1CCCC1)c1cn([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)nn1 ZINC000014997964 210144150 /nfs/dbraw/zinc/14/41/50/210144150.db2.gz XUQVOQIMNYZUKN-FXVWLTTGSA-N 1 0 379.508 3.301 50 0 GGAARO O=C(NC1CCCC1)c1cn([C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)nn1 ZINC000014997961 210143696 /nfs/dbraw/zinc/14/36/96/210143696.db2.gz XUQVOQIMNYZUKN-CLOLKSBNSA-N 1 0 379.508 3.301 50 0 GGAARO CSCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014995253 210141334 /nfs/dbraw/zinc/14/13/34/210141334.db2.gz URZCDTLQYOPPTE-AWEZNQCLSA-N 1 0 384.929 3.293 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)cc1 ZINC000014990093 210141140 /nfs/dbraw/zinc/14/11/40/210141140.db2.gz WCAHMBFXLJGYSQ-NRFANRHFSA-N 1 0 380.488 3.453 50 0 GGAARO CN(C(=O)C[NH+](C)C)[C@H](Cc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000014996488 210141193 /nfs/dbraw/zinc/14/11/93/210141193.db2.gz QHHREZSDFAMBQX-JOCHJYFZSA-N 1 0 399.579 3.047 50 0 GGAARO Cc1nn(C)cc1CNC(=O)COc1ccc(-c2ccccc2)cc1C[NH+](C)C ZINC000014989495 210141021 /nfs/dbraw/zinc/14/10/21/210141021.db2.gz SVSUHNYEOSNBGB-UHFFFAOYSA-N 1 0 392.503 3.152 50 0 GGAARO CC[NH+]1CCC(N2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC2CC2)CC1 ZINC000014997658 210140914 /nfs/dbraw/zinc/14/09/14/210140914.db2.gz DGAYHSXASARMHX-UXHICEINSA-N 1 0 391.556 3.124 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2cccc(F)c2)cc1 ZINC000014987964 210140608 /nfs/dbraw/zinc/14/06/08/210140608.db2.gz SKVGQCNDWCKTGR-NRFANRHFSA-N 1 0 398.478 3.326 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000014989456 210140437 /nfs/dbraw/zinc/14/04/37/210140437.db2.gz YADCSNCWONHLPW-LJQANCHMSA-N 1 0 392.507 3.145 50 0 GGAARO CCC(=O)NC[C@@H](C)Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000014994781 210140112 /nfs/dbraw/zinc/14/01/12/210140112.db2.gz OIDZISKXZZIIFY-LJQANCHMSA-N 1 0 381.520 3.302 50 0 GGAARO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014975157 210139022 /nfs/dbraw/zinc/13/90/22/210139022.db2.gz YOKSFLQAKCILKV-KRWDZBQOSA-N 1 0 383.458 3.042 50 0 GGAARO O=S(=O)(C1CC1)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000014969446 210137004 /nfs/dbraw/zinc/13/70/04/210137004.db2.gz RMFBBAFKMMEBTB-QGZVFWFLSA-N 1 0 382.957 3.366 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000014965266 210136115 /nfs/dbraw/zinc/13/61/15/210136115.db2.gz BJEDWAQDBLBXKB-OAQYLSRUSA-N 1 0 380.488 3.091 50 0 GGAARO CCC(CC)C[N@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014964437 210135765 /nfs/dbraw/zinc/13/57/65/210135765.db2.gz KJGZXABRJNHSAZ-GOSISDBHSA-N 1 0 397.567 3.382 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1csc(SC)n1 ZINC000014971361 210135834 /nfs/dbraw/zinc/13/58/34/210135834.db2.gz HDUCSMLKOSTORC-UHFFFAOYSA-N 1 0 396.626 3.133 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CCc2cccs2)CC1 ZINC000014967860 210135874 /nfs/dbraw/zinc/13/58/74/210135874.db2.gz JNDDGMFFASXMPD-IBGZPJMESA-N 1 0 394.581 3.047 50 0 GGAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1)N1CCOCC1 ZINC000014969554 210135452 /nfs/dbraw/zinc/13/54/52/210135452.db2.gz GIPSBSRYXKTEIY-INIZCTEOSA-N 1 0 382.451 3.139 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(OC)c(C)c3C)C2)nn1 ZINC000014954466 210134658 /nfs/dbraw/zinc/13/46/58/210134658.db2.gz QLLBSSOEVYVXQB-IBGZPJMESA-N 1 0 399.539 3.223 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccccc2F)cc1 ZINC000014955146 210134479 /nfs/dbraw/zinc/13/44/79/210134479.db2.gz IUUSFCMDDCYULG-HXUWFJFHSA-N 1 0 398.478 3.326 50 0 GGAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000014962655 210134022 /nfs/dbraw/zinc/13/40/22/210134022.db2.gz NGHDKLYSESGYFX-NRFANRHFSA-N 1 0 397.563 3.196 50 0 GGAARO COc1cc(C[C@@H](C)[NH+]2CCC3(C[C@@H]3C(=O)NCc3ccco3)CC2)ccc1O ZINC000014958776 210133941 /nfs/dbraw/zinc/13/39/41/210133941.db2.gz ULPLRWCSLYNASL-VQIMIIECSA-N 1 0 398.503 3.343 50 0 GGAARO COc1cc(C[C@H](C)[NH+]2CCC3(C[C@H]3C(=O)NCc3ccco3)CC2)ccc1O ZINC000014958789 210133626 /nfs/dbraw/zinc/13/36/26/210133626.db2.gz ULPLRWCSLYNASL-LPHOPBHVSA-N 1 0 398.503 3.343 50 0 GGAARO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(OC)c(C)c3C)C2)nn1 ZINC000014954462 210132788 /nfs/dbraw/zinc/13/27/88/210132788.db2.gz QLLBSSOEVYVXQB-LJQANCHMSA-N 1 0 399.539 3.223 50 0 GGAARO Nc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1 ZINC000014949734 210131490 /nfs/dbraw/zinc/13/14/90/210131490.db2.gz MJYCEWQMCUWVGN-MRXNPFEDSA-N 1 0 394.504 3.033 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000014949853 210130935 /nfs/dbraw/zinc/13/09/35/210130935.db2.gz XTTFKHVUAHSCEH-MRXNPFEDSA-N 1 0 394.562 3.256 50 0 GGAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cccnc3)n2CC1 ZINC000014881436 210129546 /nfs/dbraw/zinc/12/95/46/210129546.db2.gz XIVJTDGUMCLSBE-ZHDLZBQGSA-N 1 0 396.539 3.015 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014744490 210127840 /nfs/dbraw/zinc/12/78/40/210127840.db2.gz GYAHXBZNAQETPP-QGZVFWFLSA-N 1 0 384.499 3.315 50 0 GGAARO O=C1C[N@@H+](C2CCCC2)C[C@@H](OCc2ccccc2)CN1CC1CCOCC1 ZINC000014754944 210127897 /nfs/dbraw/zinc/12/78/97/210127897.db2.gz DVFMTMRHXHQYBZ-JOCHJYFZSA-N 1 0 386.536 3.085 50 0 GGAARO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014749873 210128020 /nfs/dbraw/zinc/12/80/20/210128020.db2.gz IZFOGRQTZSGAAP-VQTJNVASSA-N 1 0 397.519 3.077 50 0 GGAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000014750943 210127307 /nfs/dbraw/zinc/12/73/07/210127307.db2.gz DKIWDVOJDMMGNO-HXUWFJFHSA-N 1 0 388.515 3.280 50 0 GGAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1cccs1)C2 ZINC000014744481 210127352 /nfs/dbraw/zinc/12/73/52/210127352.db2.gz FKOSOHIMDVYQSS-MRXNPFEDSA-N 1 0 386.565 3.487 50 0 GGAARO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014744944 210127369 /nfs/dbraw/zinc/12/73/69/210127369.db2.gz DKWMZTRFNMIVFV-INIZCTEOSA-N 1 0 380.517 3.059 50 0 GGAARO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014744945 210127401 /nfs/dbraw/zinc/12/74/01/210127401.db2.gz DKWMZTRFNMIVFV-MRXNPFEDSA-N 1 0 380.517 3.059 50 0 GGAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2 ZINC000014749692 210127003 /nfs/dbraw/zinc/12/70/03/210127003.db2.gz SNDNHHZSJVIJSJ-IBGZPJMESA-N 1 0 395.551 3.351 50 0 GGAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014740757 210125540 /nfs/dbraw/zinc/12/55/40/210125540.db2.gz HVMDANUQMKQOJR-AWEZNQCLSA-N 1 0 390.478 3.166 50 0 GGAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccc(C)cc1)C2 ZINC000014742141 210125774 /nfs/dbraw/zinc/12/57/74/210125774.db2.gz MNJOGSZUCGEYTC-SFHVURJKSA-N 1 0 398.576 3.048 50 0 GGAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014743595 210124558 /nfs/dbraw/zinc/12/45/58/210124558.db2.gz WKUXYUFONQBGLV-UHFFFAOYSA-N 1 0 391.515 3.200 50 0 GGAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NC2CCCC2)C1 ZINC000014731440 210125109 /nfs/dbraw/zinc/12/51/09/210125109.db2.gz AYHBJPPGFYCHMU-DLBZAZTESA-N 1 0 389.515 3.417 50 0 GGAARO Cc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014741081 210125170 /nfs/dbraw/zinc/12/51/70/210125170.db2.gz JWTVNQVQPPOAGF-KRWDZBQOSA-N 1 0 394.544 3.367 50 0 GGAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCSCC1)CC2 ZINC000014744344 210124433 /nfs/dbraw/zinc/12/44/33/210124433.db2.gz ULDYNEYFUHYIEG-KRWDZBQOSA-N 1 0 390.597 3.071 50 0 GGAARO CC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014534343 210119962 /nfs/dbraw/zinc/11/99/62/210119962.db2.gz SWWVXUHVHCDFAJ-GOSISDBHSA-N 1 0 386.540 3.383 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014535170 210118552 /nfs/dbraw/zinc/11/85/52/210118552.db2.gz WVOBVBHUIDLGSK-QGZVFWFLSA-N 1 0 384.499 3.315 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000014538528 210118598 /nfs/dbraw/zinc/11/85/98/210118598.db2.gz XABGGQIWWKTPNR-MRXNPFEDSA-N 1 0 386.565 3.280 50 0 GGAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccco1)CC2 ZINC000014534495 210119148 /nfs/dbraw/zinc/11/91/48/210119148.db2.gz YAGFMNARVSVHOP-UHFFFAOYSA-N 1 0 396.491 3.130 50 0 GGAARO CC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC ZINC000014532122 210119198 /nfs/dbraw/zinc/11/91/98/210119198.db2.gz CZUMEZKHHNWEPC-GOSISDBHSA-N 1 0 386.540 3.179 50 0 GGAARO CC(C)OCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014536294 210118871 /nfs/dbraw/zinc/11/88/71/210118871.db2.gz XLHOCYRRJRMDAX-GOSISDBHSA-N 1 0 390.572 3.037 50 0 GGAARO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013855794 210094489 /nfs/dbraw/zinc/09/44/89/210094489.db2.gz VVIGUQFXZVEPTM-GOSISDBHSA-N 1 0 395.463 3.122 50 0 GGAARO CC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(C)cc3)CC1)n2C ZINC000013815549 210092691 /nfs/dbraw/zinc/09/26/91/210092691.db2.gz UAOQYZRLUFUPHN-UHFFFAOYSA-N 1 0 391.519 3.205 50 0 GGAARO O[C@H](C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1 ZINC000013717678 210082550 /nfs/dbraw/zinc/08/25/50/210082550.db2.gz YAZOFTNTURRQNE-OAQYLSRUSA-N 1 0 387.443 3.278 50 0 GGAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013688933 210079348 /nfs/dbraw/zinc/07/93/48/210079348.db2.gz QGHUPJWLQZTMFA-UHFFFAOYSA-N 1 0 388.431 3.148 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000013628993 210074669 /nfs/dbraw/zinc/07/46/69/210074669.db2.gz JJCHQAPLCJPYDR-CQSZACIVSA-N 1 0 395.459 3.134 50 0 GGAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(O)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000013659393 210076389 /nfs/dbraw/zinc/07/63/89/210076389.db2.gz JUGUCTXTZJWITR-LEDOBFOHSA-N 1 0 378.472 3.339 50 0 GGAARO C[NH+](C)CCNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641194 210074789 /nfs/dbraw/zinc/07/47/89/210074789.db2.gz OOKSMLXZMFSWJI-UHFFFAOYSA-N 1 0 376.416 3.441 50 0 GGAARO Cc1cc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)cc(C)[nH+]1 ZINC000012753890 210001536 /nfs/dbraw/zinc/00/15/36/210001536.db2.gz YTZJYFCWJZLRIF-UHFFFAOYSA-N 1 0 381.455 3.134 50 0 GGAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](CNC(=O)c3cccnc3)C1)CO2 ZINC000012754425 210001359 /nfs/dbraw/zinc/00/13/59/210001359.db2.gz HFFOMUDSMKPPTH-KRWDZBQOSA-N 1 0 393.487 3.008 50 0 GGAARO COC(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000012756109 210003603 /nfs/dbraw/zinc/00/36/03/210003603.db2.gz YBGRPHQBLXLHDN-NRFANRHFSA-N 1 0 380.488 3.300 50 0 GGAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C1 ZINC000012760269 210003550 /nfs/dbraw/zinc/00/35/50/210003550.db2.gz LVOLGMMGQAGPDZ-CYBMUJFWSA-N 1 0 379.407 3.088 50 0 GGAARO CN(CCCC[NH+]1CCOCC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012757607 210003230 /nfs/dbraw/zinc/00/32/30/210003230.db2.gz XBSQOWWUQJJWID-UHFFFAOYSA-N 1 0 398.429 3.300 50 0 GGAARO COc1cc(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc(OC)c1OC ZINC000012754068 210000407 /nfs/dbraw/zinc/00/04/07/210000407.db2.gz GLLQEXYQRDMBPU-LJQANCHMSA-N 1 0 398.503 3.149 50 0 GGAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCc2cnccn2)C1 ZINC000012704554 209991095 /nfs/dbraw/zinc/99/10/95/209991095.db2.gz GHOXHYLFUBRPAV-FQEVSTJZSA-N 1 0 380.536 3.131 50 0 GGAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)CCc1cn[nH]c1 ZINC000012593762 209983465 /nfs/dbraw/zinc/98/34/65/209983465.db2.gz IHZZMUNQGQBKOE-UHFFFAOYSA-N 1 0 388.943 3.409 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC000012586944 209981302 /nfs/dbraw/zinc/98/13/02/209981302.db2.gz KMDNKJWTPPHQGR-LJQANCHMSA-N 1 0 396.535 3.129 50 0 GGAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+]([C@@H](C)CC(C)(C)O)CC1 ZINC000012473323 209961988 /nfs/dbraw/zinc/96/19/88/209961988.db2.gz YKGSXOYZEVXYFG-KRWDZBQOSA-N 1 0 377.525 3.433 50 0 GGAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccncc1 ZINC000012430553 209952098 /nfs/dbraw/zinc/95/20/98/209952098.db2.gz SPDOCJWNDTZURX-IBGZPJMESA-N 1 0 393.531 3.050 50 0 GGAARO O=C(CCc1cnccn1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012385230 209947602 /nfs/dbraw/zinc/94/76/02/209947602.db2.gz OOHPFBCEXZYRKA-XMMPIXPASA-N 1 0 392.547 3.357 50 0 GGAARO Cc1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)n(C)n1 ZINC000012054941 209901759 /nfs/dbraw/zinc/90/17/59/209901759.db2.gz NKEQEDYHTMJMQC-UHFFFAOYSA-N 1 0 388.943 3.409 50 0 GGAARO COc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)c1 ZINC000012000678 209896756 /nfs/dbraw/zinc/89/67/56/209896756.db2.gz WPFXKTNYHUQXNY-LJQANCHMSA-N 1 0 386.467 3.384 50 0 GGAARO CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000011847591 209887028 /nfs/dbraw/zinc/88/70/28/209887028.db2.gz PYQYWVVSOIKLHN-FFCFBIEMSA-N 1 0 393.616 3.438 50 0 GGAARO COc1cccc(NC(=[NH2+])Nc2nc(CSc3ccccn3)cc(=O)[nH]2)c1 ZINC000009015821 209810239 /nfs/dbraw/zinc/81/02/39/209810239.db2.gz SNHFBKIAFQMJCQ-UHFFFAOYSA-N 1 0 382.449 3.337 50 0 GGAARO COc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000008613298 209789527 /nfs/dbraw/zinc/78/95/27/209789527.db2.gz VHSJQDWULROBTI-JOCHJYFZSA-N 1 0 398.503 3.426 50 0 GGAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OCC(N)=O ZINC000005307586 209585271 /nfs/dbraw/zinc/58/52/71/209585271.db2.gz CCSVKZJUKXIFPD-UHFFFAOYSA-N 1 0 378.900 3.127 50 0 GGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000004711705 209514861 /nfs/dbraw/zinc/51/48/61/209514861.db2.gz DTMNPHLHSCNGEY-UHFFFAOYSA-N 1 0 395.503 3.484 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH2+]C3CCCCC3)cc21 ZINC000003655840 209450006 /nfs/dbraw/zinc/45/00/06/209450006.db2.gz AYGCNDGOZRPCAG-KRWDZBQOSA-N 1 0 388.508 3.325 50 0 GGAARO CC(C)[NH+]1CCC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)CC1 ZINC000002782037 209384583 /nfs/dbraw/zinc/38/45/83/209384583.db2.gz KKQZXJRWAQVNIU-UHFFFAOYSA-N 1 0 392.853 3.422 50 0 GGAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)c(Br)cc1OCC(N)=O ZINC000002886458 209395477 /nfs/dbraw/zinc/39/54/77/209395477.db2.gz BPZXBYBMXKKICO-GFCCVEGCSA-N 1 0 393.281 3.173 50 0 GGAARO S=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002805472 209388814 /nfs/dbraw/zinc/38/88/14/209388814.db2.gz XWYIVCPSIZABQS-QGZVFWFLSA-N 1 0 375.929 3.062 50 0 GGAARO CCn1cc(-c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c3ccccc3n2)cn1 ZINC000002804900 209388557 /nfs/dbraw/zinc/38/85/57/209388557.db2.gz OCMYGHXHVUJWRH-AYHJJNSGSA-N 1 0 389.503 3.473 50 0 GGAARO Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002803205 209386070 /nfs/dbraw/zinc/38/60/70/209386070.db2.gz ZCJCEKHGNDEKGZ-LJQANCHMSA-N 1 0 383.565 3.333 50 0 GGAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002444803 209364272 /nfs/dbraw/zinc/36/42/72/209364272.db2.gz XTUNKDLDEWYXCI-KBPBESRZSA-N 1 0 387.480 3.270 50 0 GGAARO C[C@H](C(=O)NC1CC[NH+](C)CC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002780440 209383645 /nfs/dbraw/zinc/38/36/45/209383645.db2.gz NOZVXLSKZXQRAB-SECBINFHSA-N 1 0 378.826 3.204 50 0 GGAARO C[C@@H](C(=O)NC1CC[NH+](C)CC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002780439 209383486 /nfs/dbraw/zinc/38/34/86/209383486.db2.gz NOZVXLSKZXQRAB-VIFPVBQESA-N 1 0 378.826 3.204 50 0 GGAARO C[NH+](C)CCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000002707312 209377663 /nfs/dbraw/zinc/37/76/63/209377663.db2.gz MQZUPLZZCTXDPI-ASBGPMMZSA-N 1 0 377.488 3.082 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000002366476 209360600 /nfs/dbraw/zinc/36/06/00/209360600.db2.gz NZRFFHZLFONZRP-UHFFFAOYSA-N 1 0 387.480 3.414 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000002375591 209359860 /nfs/dbraw/zinc/35/98/60/209359860.db2.gz GQOUQWHSMXZQPR-AWEZNQCLSA-N 1 0 387.480 3.412 50 0 GGAARO C[NH+](C)CCCN[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000002377046 209359650 /nfs/dbraw/zinc/35/96/50/209359650.db2.gz PUYMJMVGXCJSMQ-BOLDSZDNSA-N 1 0 378.731 3.054 50 0 GGAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCC2)n3C)cc1 ZINC000002357721 209358429 /nfs/dbraw/zinc/35/84/29/209358429.db2.gz DMFXCDUJJGZLRS-UHFFFAOYSA-N 1 0 394.475 3.195 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002309534 209356606 /nfs/dbraw/zinc/35/66/06/209356606.db2.gz SGSYFSNGQKULKE-CHWSQXEVSA-N 1 0 375.444 3.400 50 0 GGAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccncc1 ZINC000010334084 209332688 /nfs/dbraw/zinc/33/26/88/209332688.db2.gz VIQPCVJFOQVXAP-NRFANRHFSA-N 1 0 388.471 3.127 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010335565 209332487 /nfs/dbraw/zinc/33/24/87/209332487.db2.gz WLWFVDBPSYQEHQ-OAQYLSRUSA-N 1 0 384.501 3.430 50 0 GGAARO COc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010335562 209332263 /nfs/dbraw/zinc/33/22/63/209332263.db2.gz WLWFVDBPSYQEHQ-NRFANRHFSA-N 1 0 384.501 3.430 50 0 GGAARO Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCC[NH+](C)C)cc1 ZINC000002065416 209345131 /nfs/dbraw/zinc/34/51/31/209345131.db2.gz RYZMAWBKYPOIGN-HMMYKYKNSA-N 1 0 399.922 3.487 50 0 GGAARO O=C1NCN(c2ccccc2)C12CC[NH+](CCCOc1ccc(F)cc1)CC2 ZINC000001846593 209341679 /nfs/dbraw/zinc/34/16/79/209341679.db2.gz FJUKDAZEABGEIH-UHFFFAOYSA-N 1 0 383.467 3.023 50 0 in-man GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C)cc2)N(CC[NH+](C)C)C1=O ZINC000010233188 209322935 /nfs/dbraw/zinc/32/29/35/209322935.db2.gz ZGEWRXOJGJRNGO-FQEVSTJZSA-N 1 0 392.455 3.217 50 0 GGAARO COc1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1OC ZINC000001457371 209329456 /nfs/dbraw/zinc/32/94/56/209329456.db2.gz LQVDUQBBUPQPIU-UHFFFAOYSA-N 1 0 395.547 3.490 50 0 GGAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001190314 209311943 /nfs/dbraw/zinc/31/19/43/209311943.db2.gz FZCWXCPDCWLVDN-OAQYLSRUSA-N 1 0 383.488 3.248 50 0 GGAARO CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000001087929 209299625 /nfs/dbraw/zinc/29/96/25/209299625.db2.gz BMIKETFDVSZXEZ-UHFFFAOYSA-N 1 0 399.535 3.173 50 0 GGAARO COc1ccc(C(=O)c2ccc(N3CC[NH2+]CC3)c(F)c2)cc1Br ZINC000000902308 209278204 /nfs/dbraw/zinc/27/82/04/209278204.db2.gz UJZHMVLWPNAXCX-UHFFFAOYSA-N 1 0 393.256 3.237 50 0 GGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 ZINC000000880850 209276448 /nfs/dbraw/zinc/27/64/48/209276448.db2.gz RSAKDYYFUNSNDO-UHFFFAOYSA-N 1 0 399.491 3.107 50 0 GGAARO Cc1ccccc1S(=O)(=O)N(C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000000864142 209274307 /nfs/dbraw/zinc/27/43/07/209274307.db2.gz MKBRMWNQVUSPSU-HXUWFJFHSA-N 1 0 388.533 3.037 50 0 GGAARO COc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000000783049 209265559 /nfs/dbraw/zinc/26/55/59/209265559.db2.gz FRMFDAOHDIRWBV-WBVHZDCISA-N 1 0 376.497 3.049 50 0 GGAARO COc1cc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)cc(OC)c1OC ZINC000000785855 209265201 /nfs/dbraw/zinc/26/52/01/209265201.db2.gz JCSXDJOXADBUEE-UHFFFAOYSA-N 1 0 378.513 3.087 50 0 GGAARO CCOC(=O)c1sc(NC(=O)CC[NH+]2CCCCC2)c(C(=O)OCC)c1C ZINC000000715454 209261630 /nfs/dbraw/zinc/26/16/30/209261630.db2.gz CSJUAZXCVPMSAN-UHFFFAOYSA-N 1 0 396.509 3.224 50 0 GGAARO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000000538194 209249945 /nfs/dbraw/zinc/24/99/45/209249945.db2.gz HXCNRYXBZNHDNE-UHFFFAOYSA-N 1 0 393.462 3.279 50 0 investigational GGAARO Cc1cc2oc(=O)cc(CN3CC[NH+](CCc4ccccn4)CC3)c2cc1C ZINC000020730429 209236014 /nfs/dbraw/zinc/23/60/14/209236014.db2.gz FXQCYCYSUMWYPT-UHFFFAOYSA-N 1 0 377.488 3.165 50 0 GGAARO NC(=O)C1CC[NH+](CCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)CC1 ZINC000006764281 209232827 /nfs/dbraw/zinc/23/28/27/209232827.db2.gz WMIQRTIPXZFIPN-UHFFFAOYSA-N 1 0 392.455 3.036 50 0 GGAARO O[C@@H](C[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)COc1ccccc1 ZINC000000824757 209227721 /nfs/dbraw/zinc/22/77/21/209227721.db2.gz FNDZUZJJDOEYGZ-IBGZPJMESA-N 1 0 383.488 3.299 50 0 biogenic GGAARO O[C@H](C[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)COc1ccccc1 ZINC000000824756 209227766 /nfs/dbraw/zinc/22/77/66/209227766.db2.gz FNDZUZJJDOEYGZ-LJQANCHMSA-N 1 0 383.488 3.299 50 0 biogenic GGAARO O=C1NC[C@@H]([NH2+]CCc2ccc(Cl)cc2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263617480 209226060 /nfs/dbraw/zinc/22/60/60/209226060.db2.gz NZHUIGORIFEYLW-IBGZPJMESA-N 1 0 384.842 3.417 50 0 GGAARO O=C1NC[C@H]([NH2+]CCc2ccc(Cl)cc2)n2nc(-c3ccc(F)cc3)cc21 ZINC000263617481 209225361 /nfs/dbraw/zinc/22/53/61/209225361.db2.gz NZHUIGORIFEYLW-LJQANCHMSA-N 1 0 384.842 3.417 50 0 GGAARO COc1cccc(-c2cc3n(n2)[C@H]([NH2+]C[C@@H](C)c2ccccc2)CNC3=O)c1 ZINC000263617190 209225014 /nfs/dbraw/zinc/22/50/14/209225014.db2.gz MOQNHOULTBHYNQ-VFNWGFHPSA-N 1 0 376.460 3.194 50 0 GGAARO O=C(c1n[nH]c2c1CCCC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198552 209224673 /nfs/dbraw/zinc/22/46/73/209224673.db2.gz CGANOTBXBPNKDF-CIBWYJFOSA-N 1 0 380.536 3.324 50 0 GGAARO O=C(c1n[nH]c2c1CCCC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198554 209224337 /nfs/dbraw/zinc/22/43/37/209224337.db2.gz CGANOTBXBPNKDF-VTAPXXACSA-N 1 0 380.536 3.324 50 0 biogenic GGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000253472437 209219518 /nfs/dbraw/zinc/21/95/18/209219518.db2.gz MGAFSEYMAMOFKS-NRFANRHFSA-N 1 0 395.503 3.034 50 0 GGAARO COCC[NH+](CCOC)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000054106026 209212790 /nfs/dbraw/zinc/21/27/90/209212790.db2.gz IMMYOBHEIKEFEJ-UHFFFAOYSA-N 1 0 383.444 3.260 50 0 biogenic GGAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@@H+](C)C[C@@H]12 ZINC000036056317 209182415 /nfs/dbraw/zinc/18/24/15/209182415.db2.gz HILOINODNGRDPM-IFMALSPDSA-N 1 0 394.906 3.426 50 0 GGAARO O[C@@H](Cn1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)C3)s2)n1)c1ccccc1 ZINC000082039602 212060432 /nfs/dbraw/zinc/06/04/32/212060432.db2.gz XEFJRKMMYYJSPW-PXNSSMCTSA-N 1 0 383.517 3.302 50 0 GGAARO O=C1C[C@H](C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)CN1c1ccccc1 ZINC000299801626 212041124 /nfs/dbraw/zinc/04/11/24/212041124.db2.gz ZRWQIIRSERBWPF-GOSISDBHSA-N 1 0 393.535 3.237 50 0 GGAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@H]2OCCc3ccccc32)cc1 ZINC000299801155 212040443 /nfs/dbraw/zinc/04/04/43/212040443.db2.gz YUVKXCIDEFRFTL-NZQKXSOJSA-N 1 0 394.515 3.480 50 0 GGAARO CCc1c(C(=O)N(C)Cc2ccccc2)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000299794849 212038854 /nfs/dbraw/zinc/03/88/54/212038854.db2.gz KQZXXONKNIJMGY-FQEVSTJZSA-N 1 0 395.547 3.476 50 0 GGAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N(CCO)Cc1ccccc1F ZINC000299787479 212037642 /nfs/dbraw/zinc/03/76/42/212037642.db2.gz MHTUNJQYQLVVBP-NNWRFLSQSA-N 1 0 382.479 3.372 50 0 GGAARO O=C(NC1CC1)c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2cc3ccccc3[nH]2)nn1 ZINC000299792325 212039819 /nfs/dbraw/zinc/03/98/19/212039819.db2.gz GWNZGOFFQAVBLN-IBGZPJMESA-N 1 0 392.507 3.096 50 0 GGAARO O=C(Nc1cccc(N2CCC([NH+]3CCSCC3)CC2)c1)c1ccncc1 ZINC000299770293 212035612 /nfs/dbraw/zinc/03/56/12/212035612.db2.gz PJKQIDUOTURPHF-UHFFFAOYSA-N 1 0 382.533 3.352 50 0 GGAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000299775819 212035138 /nfs/dbraw/zinc/03/51/38/212035138.db2.gz KSRXBPKQCJCNLC-KRWDZBQOSA-N 1 0 384.455 3.129 50 0 GGAARO Cn1nc2cccc(NC(=O)N3CCC[C@@H]3c3ccc(C[NH+](C)C)cc3)c2n1 ZINC000299771272 212034929 /nfs/dbraw/zinc/03/49/29/212034929.db2.gz XPMPQKRTQMRMJI-LJQANCHMSA-N 1 0 378.480 3.399 50 0 GGAARO O=C(Nc1ccc(OCCc2ccccn2)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000299772154 212034863 /nfs/dbraw/zinc/03/48/63/212034863.db2.gz ZBZNGSCLHKRSOE-UHFFFAOYSA-N 1 0 380.492 3.405 50 0 GGAARO CNC(=O)c1cc(NC(=O)NCC2([NH+]3CCCC3)CCCC2)ccc1Cl ZINC000299774279 212034564 /nfs/dbraw/zinc/03/45/64/212034564.db2.gz BKVHJBHADMZLHP-UHFFFAOYSA-N 1 0 378.904 3.230 50 0 GGAARO O=C(c1ccc(N2CCC([NH2+]C3CCCCC3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000299771619 212034610 /nfs/dbraw/zinc/03/46/10/212034610.db2.gz UYJJAFBIDFLALE-QFIPXVFZSA-N 1 0 385.552 3.175 50 0 GGAARO COc1c(C)cc(-c2cccc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)c2)cc1C ZINC000299773592 212034440 /nfs/dbraw/zinc/03/44/40/212034440.db2.gz DJDVETWSCCXCSW-QHCPKHFHSA-N 1 0 382.504 3.118 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1C/C=C/c1ccccc1 ZINC000299772015 212034483 /nfs/dbraw/zinc/03/44/83/212034483.db2.gz ZWFNTDIMUWLRLF-FPVJFXMDSA-N 1 0 393.575 3.303 50 0 GGAARO CC(=O)N1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299783932 212037410 /nfs/dbraw/zinc/03/74/10/212037410.db2.gz VPNARGKLUMBGBV-ZCNNSNEGSA-N 1 0 380.492 3.489 50 0 GGAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)Nc1ccc2c(c1)CC(=O)N2 ZINC000299786241 212037160 /nfs/dbraw/zinc/03/71/60/212037160.db2.gz KHPGBASERKRHOJ-QGZVFWFLSA-N 1 0 378.476 3.182 50 0 GGAARO O=C(Nc1ccc2n[nH]nc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000299787534 212036243 /nfs/dbraw/zinc/03/62/43/212036243.db2.gz OSUYYDNFXXHYCR-UHFFFAOYSA-N 1 0 378.480 3.130 50 0 GGAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc(-c2ccc3ccccc3n2)c1 ZINC000299770991 212035698 /nfs/dbraw/zinc/03/56/98/212035698.db2.gz UCSUQDIVURIGIA-VXKWHMMOSA-N 1 0 375.472 3.351 50 0 GGAARO COc1cccc(-c2cccc(NC(=O)N3CCOC[C@H](C[NH+](C)C)C3)c2)c1 ZINC000299756194 212031409 /nfs/dbraw/zinc/03/14/09/212031409.db2.gz DLSDGKZIQWFKFH-QGZVFWFLSA-N 1 0 383.492 3.404 50 0 GGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000299754474 212031298 /nfs/dbraw/zinc/03/12/98/212031298.db2.gz VHXBWJXMFRHILJ-PXNSSMCTSA-N 1 0 396.535 3.381 50 0 biogenic GGAARO CCc1nn(C)c(NC(=O)N2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1C ZINC000299768550 212034037 /nfs/dbraw/zinc/03/40/37/212034037.db2.gz LCPRMJCHHMLLTR-MOPGFXCFSA-N 1 0 381.524 3.419 50 0 GGAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)COCC(F)(F)C(F)F)cc1 ZINC000299769064 212034064 /nfs/dbraw/zinc/03/40/64/212034064.db2.gz ITGHIHHODYVTTR-HNNXBMFYSA-N 1 0 376.394 3.329 50 0 GGAARO COc1ccc2[nH]c(CCNC(=O)CCC[NH+]3Cc4ccccc4C3)nc2c1 ZINC000299767706 212033812 /nfs/dbraw/zinc/03/38/12/212033812.db2.gz NEPDKWOIJLQKMX-UHFFFAOYSA-N 1 0 378.476 3.026 50 0 GGAARO O=C(Cc1cccc(F)c1)NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000299768118 212032829 /nfs/dbraw/zinc/03/28/29/212032829.db2.gz GFJIJDBZTVRVMA-NRFANRHFSA-N 1 0 397.494 3.093 50 0 GGAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)COCC(F)(F)C(F)F)cc1 ZINC000299769066 212032756 /nfs/dbraw/zinc/03/27/56/212032756.db2.gz ITGHIHHODYVTTR-OAHLLOKOSA-N 1 0 376.394 3.329 50 0 GGAARO O=C(Nc1ccc(CN2CCOCC2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000299760913 212032807 /nfs/dbraw/zinc/03/28/07/212032807.db2.gz PZUZSCLAAMMRDF-UHFFFAOYSA-N 1 0 386.540 3.001 50 0 GGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cn3ccc(C)cc3n2)c1 ZINC000299762225 212032365 /nfs/dbraw/zinc/03/23/65/212032365.db2.gz MMHADFQSZZDSNS-FQEVSTJZSA-N 1 0 392.503 3.322 50 0 GGAARO Cc1cc(C)n(CC(C)C)c(=O)c1C(=O)N(C)C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000334161050 209177156 /nfs/dbraw/zinc/17/71/56/209177156.db2.gz RRPSXJLTWPAJPX-WOJBJXKFSA-N 1 0 387.568 3.458 50 0 GGAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 ZINC000244873219 211976161 /nfs/dbraw/zinc/97/61/61/211976161.db2.gz WMBGMFBOKYXHML-AOHZBQACSA-N 1 0 378.516 3.494 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000023127439 211786927 /nfs/dbraw/zinc/78/69/27/211786927.db2.gz MDSOKXFZCRIWNO-UHFFFAOYSA-N 1 0 383.467 3.101 50 0 GGAARO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008892825 211600409 /nfs/dbraw/zinc/60/04/09/211600409.db2.gz OUDGJFBMEXIECL-IBGZPJMESA-N 1 0 385.533 3.098 50 0 GGAARO CC(C)Oc1cccc2c1c(NC(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)nn2-c1cccc(F)c1 ZINC000101744410 211403754 /nfs/dbraw/zinc/40/37/54/211403754.db2.gz JKIPTFSGMGZHKB-MNZLEMJZSA-N 1 0 394.450 3.356 50 0 GGAARO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100622471 211388981 /nfs/dbraw/zinc/38/89/81/211388981.db2.gz KQKFYCRDURDKQJ-INIZCTEOSA-N 1 0 378.350 3.136 50 0 GGAARO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000100001905 211382276 /nfs/dbraw/zinc/38/22/76/211382276.db2.gz JBDGDEWWOUBZPM-PHIMTYICSA-N 1 0 378.108 3.187 50 0 investigational GGAARO Nc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@@H](O)CC1 ZINC000100070274 211381740 /nfs/dbraw/zinc/38/17/40/211381740.db2.gz JBDGDEWWOUBZPM-XYPYZODXSA-N 1 0 378.108 3.187 50 0 world GGAARO COCCC[N@@H+]1CC[C@H](CNc2nc(C)nc3c2Cc2ccccc2OC3)C1 ZINC000097698822 211371979 /nfs/dbraw/zinc/37/19/79/211371979.db2.gz IEKSWSJTFZGIEG-QGZVFWFLSA-N 1 0 382.508 3.039 50 0 GGAARO Cc1cc2nc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)cc(C)n2n1 ZINC000097711739 211371623 /nfs/dbraw/zinc/37/16/23/211371623.db2.gz MGZHKTVTWSSTOI-IBGZPJMESA-N 1 0 381.455 3.052 50 0 GGAARO COCCC[N@@H+]1CC[C@@H](CNc2nc(C)nc3c2Cc2ccccc2OC3)C1 ZINC000097698819 211371527 /nfs/dbraw/zinc/37/15/27/211371527.db2.gz IEKSWSJTFZGIEG-KRWDZBQOSA-N 1 0 382.508 3.039 50 0 GGAARO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1c[nH]nc1-c1ccccc1 ZINC000097698766 211371082 /nfs/dbraw/zinc/37/10/82/211371082.db2.gz TXVQKBVBAPVMDT-FQEVSTJZSA-N 1 0 375.476 3.429 50 0 GGAARO O=C(NCc1nc(Cc2cccs2)no1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097637932 211369482 /nfs/dbraw/zinc/36/94/82/211369482.db2.gz SDZOJTFKYZIASY-UHFFFAOYSA-N 1 0 382.489 3.248 50 0 GGAARO C[NH+]1CCN(CCCNC(=O)Nc2cccc(/C=C/c3ccccn3)c2)CC1 ZINC000097632135 211368836 /nfs/dbraw/zinc/36/88/36/211368836.db2.gz MNGYTKMYRXMBDS-MDZDMXLPSA-N 1 0 379.508 3.011 50 0 GGAARO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)c1ccccc1-c1nc[nH]n1 ZINC000097568840 211367981 /nfs/dbraw/zinc/36/79/81/211367981.db2.gz QSIDBWWSGMIIMA-LJQANCHMSA-N 1 0 379.439 3.178 50 0 GGAARO Cn1cc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000097436859 211365051 /nfs/dbraw/zinc/36/50/51/211365051.db2.gz QGIQCIPHVOETOA-HXUWFJFHSA-N 1 0 396.560 3.217 50 0 GGAARO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000097436811 211364771 /nfs/dbraw/zinc/36/47/71/211364771.db2.gz HFHOKJGHBLJYKQ-OAQYLSRUSA-N 1 0 375.476 3.224 50 0 GGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc2nn(C)nc21 ZINC000097515107 211364575 /nfs/dbraw/zinc/36/45/75/211364575.db2.gz MSKXZSCLKKQPBU-UHFFFAOYSA-N 1 0 378.480 3.228 50 0 GGAARO Cc1cccc(Oc2ccccc2NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097179429 211362544 /nfs/dbraw/zinc/36/25/44/211362544.db2.gz UJJCGRIMFUMOEM-SFHVURJKSA-N 1 0 380.492 3.299 50 0 GGAARO CC[C@H]1CN(C(=O)c2ccc(NCCc3cccc(C)n3)nc2)CC[N@@H+]1C(C)C ZINC000096836388 211346879 /nfs/dbraw/zinc/34/68/79/211346879.db2.gz BVJRFDKYCDMPMX-NRFANRHFSA-N 1 0 395.551 3.384 50 0 GGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC000096164887 211316619 /nfs/dbraw/zinc/31/66/19/211316619.db2.gz BWMJXHHNBYIMOC-UHFFFAOYSA-N 1 0 394.523 3.239 50 0 GGAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)C1 ZINC000096166746 211316635 /nfs/dbraw/zinc/31/66/35/211316635.db2.gz HAHNMRYIUHDUCM-QGZVFWFLSA-N 1 0 385.512 3.086 50 0 GGAARO NC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000096180393 211315620 /nfs/dbraw/zinc/31/56/20/211315620.db2.gz PKINAECGDBYFIS-INIZCTEOSA-N 1 0 386.883 3.225 50 0 GGAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000096162967 211314636 /nfs/dbraw/zinc/31/46/36/211314636.db2.gz ISJMAOWHEOHSDV-UHFFFAOYSA-N 1 0 380.448 3.253 50 0 GGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)Nc2ccc3c(c2)C(=O)OC3)C1 ZINC000096163374 211313173 /nfs/dbraw/zinc/31/31/73/211313173.db2.gz HNRRRKOEGJHRNE-INIZCTEOSA-N 1 0 379.460 3.276 50 0 GGAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000096151133 211312369 /nfs/dbraw/zinc/31/23/69/211312369.db2.gz MABZGERXLWCSNS-UHFFFAOYSA-N 1 0 378.524 3.287 50 0 GGAARO Cc1cnn(CCC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)c1 ZINC000096151322 211312016 /nfs/dbraw/zinc/31/20/16/211312016.db2.gz RGAGTJHFKSNTEY-NRFANRHFSA-N 1 0 380.536 3.310 50 0 GGAARO C[C@@H](CCNC(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000096152097 211311930 /nfs/dbraw/zinc/31/19/30/211311930.db2.gz NCZXAEDLFHJZKV-IBGZPJMESA-N 1 0 380.536 3.425 50 0 GGAARO CCCc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CCC)cs1 ZINC000096151445 211311253 /nfs/dbraw/zinc/31/12/53/211311253.db2.gz IXLHBACEXIUPNF-UHFFFAOYSA-N 1 0 387.553 3.218 50 0 GGAARO Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NC[C@]1(C)CC[N@@H+](C)C1 ZINC000096148654 211310494 /nfs/dbraw/zinc/31/04/94/211310494.db2.gz WYOYMWJQYSLSTG-IBGZPJMESA-N 1 0 375.904 3.357 50 0 GGAARO Fc1ccccc1C[NH+]1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000096149162 211310364 /nfs/dbraw/zinc/31/03/64/211310364.db2.gz NWXKFROAPLVPOZ-UHFFFAOYSA-N 1 0 380.471 3.377 50 0 GGAARO COc1ccc([C@H]([NH3+])Cc2nc(C)nn2C2Cc3ccccc3C2)cc1OC ZINC000096150143 211310396 /nfs/dbraw/zinc/31/03/96/211310396.db2.gz WCSXEUDGWXCCQH-LJQANCHMSA-N 1 0 378.476 3.186 50 0 GGAARO CCc1ccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3CC)CC2)cc1 ZINC000096147840 211310421 /nfs/dbraw/zinc/31/04/21/211310421.db2.gz JVPBZLHNYNEHRQ-UHFFFAOYSA-N 1 0 378.524 3.485 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000096149364 211310128 /nfs/dbraw/zinc/31/01/28/211310128.db2.gz YZBCDVFDNFSWEW-OAQYLSRUSA-N 1 0 393.531 3.117 50 0 GGAARO C[NH+]1CCC(O)(c2nc(CCc3ccccc3)nn2Cc2ccccc2)CC1 ZINC000096148601 211309975 /nfs/dbraw/zinc/30/99/75/211309975.db2.gz YNPPHTQTANXPBH-UHFFFAOYSA-N 1 0 376.504 3.025 50 0 GGAARO Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NC[C@@]1(C)CC[N@@H+](C)C1 ZINC000096148655 211309456 /nfs/dbraw/zinc/30/94/56/211309456.db2.gz WYOYMWJQYSLSTG-LJQANCHMSA-N 1 0 375.904 3.357 50 0 GGAARO C[C@@H](c1ccc(-c2ccc3ncnc(NCCO)c3c2)cc1)[NH+]1CCOCC1 ZINC000096132484 211303759 /nfs/dbraw/zinc/30/37/59/211303759.db2.gz XXFPLYUMWUMMOY-INIZCTEOSA-N 1 0 378.476 3.094 50 0 GGAARO CN1CC[NH+](C2(CNC(=O)Nc3ccccc3C(F)(F)F)CCCC2)CC1 ZINC000096140409 211305745 /nfs/dbraw/zinc/30/57/45/211305745.db2.gz MKQVEEYOJDMEGO-UHFFFAOYSA-N 1 0 384.446 3.387 50 0 GGAARO O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096133404 211305188 /nfs/dbraw/zinc/30/51/88/211305188.db2.gz BCHIQPICVILOKV-SFHVURJKSA-N 1 0 380.448 3.039 50 0 GGAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000095530014 211275657 /nfs/dbraw/zinc/27/56/57/211275657.db2.gz NRXCRZKMIAEOEQ-MTCRFPMVSA-N 1 0 380.492 3.342 50 0 GGAARO CN(Cc1nc2ncccn2n1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000095531325 211275505 /nfs/dbraw/zinc/27/55/05/211275505.db2.gz VHGJGFVCZAOPOP-GOSISDBHSA-N 1 0 398.942 3.164 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000095531509 211275319 /nfs/dbraw/zinc/27/53/19/211275319.db2.gz BXLFHBLBYQWBLJ-IBGZPJMESA-N 1 0 380.536 3.273 50 0 GGAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCCn1cccn1)CC2 ZINC000095529821 211275227 /nfs/dbraw/zinc/27/52/27/211275227.db2.gz JLSDWRXUMIZZMW-UHFFFAOYSA-N 1 0 386.927 3.441 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ncoc1C ZINC000095530703 211274906 /nfs/dbraw/zinc/27/49/06/211274906.db2.gz CVIPQKGASALHRO-LJQANCHMSA-N 1 0 385.508 3.408 50 0 GGAARO Cc1ncn(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c1C ZINC000095530414 211274730 /nfs/dbraw/zinc/27/47/30/211274730.db2.gz DPYLHXNCIAPJPW-NRFANRHFSA-N 1 0 382.552 3.221 50 0 GGAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(NC(C)C)nc1)CC2 ZINC000095531046 211274183 /nfs/dbraw/zinc/27/41/83/211274183.db2.gz UAOAFJXDGLMXMW-UHFFFAOYSA-N 1 0 397.571 3.170 50 0 GGAARO CCOc1ccccc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095531283 211274035 /nfs/dbraw/zinc/27/40/35/211274035.db2.gz CVYOGKQSOOYABG-UHFFFAOYSA-N 1 0 394.519 3.094 50 0 GGAARO CCOc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc1 ZINC000095530988 211273986 /nfs/dbraw/zinc/27/39/86/211273986.db2.gz AEUPLHYBKASDLU-UHFFFAOYSA-N 1 0 394.519 3.094 50 0 GGAARO Cc1cc(=O)cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)o1 ZINC000095528987 211273748 /nfs/dbraw/zinc/27/37/48/211273748.db2.gz MVPULUNATGLVSA-LJQANCHMSA-N 1 0 382.504 3.283 50 0 GGAARO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4cncn4C)CC3)cc2)n1 ZINC000095526033 211273378 /nfs/dbraw/zinc/27/33/78/211273378.db2.gz CVVKOGQIBCFRMX-UHFFFAOYSA-N 1 0 392.507 3.073 50 0 GGAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 ZINC000095526702 211273056 /nfs/dbraw/zinc/27/30/56/211273056.db2.gz HFRVEDJENMKZRM-UHFFFAOYSA-N 1 0 386.565 3.405 50 0 GGAARO Cn1cc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c(-c2ccccc2)n1 ZINC000095526500 211272604 /nfs/dbraw/zinc/27/26/04/211272604.db2.gz CJPKTSFUWDPRHV-NFBKMPQASA-N 1 0 375.472 3.058 50 0 GGAARO Cc1cc(C)n(C)c(=O)c1C(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000095527977 211272492 /nfs/dbraw/zinc/27/24/92/211272492.db2.gz RTOOKZVBGXKZQZ-NRFANRHFSA-N 1 0 395.547 3.029 50 0 GGAARO C[NH+](C)C[C@@H]1COCCN(C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000095528308 211272188 /nfs/dbraw/zinc/27/21/88/211272188.db2.gz GHEDCLLJSKRXDK-IBGZPJMESA-N 1 0 383.492 3.308 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)NCC2CCCCC2)C1 ZINC000095526208 211271883 /nfs/dbraw/zinc/27/18/83/211271883.db2.gz FQGAWOSYZMMGBP-LJQANCHMSA-N 1 0 375.561 3.304 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cc1cnccn1 ZINC000095527831 211271426 /nfs/dbraw/zinc/27/14/26/211271426.db2.gz MQAOOJBWYFFEKT-GOSISDBHSA-N 1 0 386.927 3.086 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3cncc(Cl)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095524970 211271095 /nfs/dbraw/zinc/27/10/95/211271095.db2.gz OMSKIRBWIBZZKB-PWRODBHTSA-N 1 0 397.906 3.446 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)[C@H]1CCOC1 ZINC000095524863 211270607 /nfs/dbraw/zinc/27/06/07/211270607.db2.gz HFZHISYVSLOHNK-SFHVURJKSA-N 1 0 398.469 3.455 50 0 GGAARO C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000095525029 211270376 /nfs/dbraw/zinc/27/03/76/211270376.db2.gz GZXASWKTYFBECF-CQSZACIVSA-N 1 0 392.459 3.019 50 0 GGAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCCC4)c3)CC2)CC1 ZINC000095525243 211270346 /nfs/dbraw/zinc/27/03/46/211270346.db2.gz KNGYKCSCJSTORX-UHFFFAOYSA-N 1 0 385.552 3.250 50 0 GGAARO COc1ccc(CN2CCC(F)(F)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095522647 211269405 /nfs/dbraw/zinc/26/94/05/211269405.db2.gz FQBDRJQRFNCLHM-KRWDZBQOSA-N 1 0 386.483 3.006 50 0 GGAARO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc(=O)[nH]1 ZINC000095521823 211268375 /nfs/dbraw/zinc/26/83/75/211268375.db2.gz DMVIBELJVMGQOH-LJQANCHMSA-N 1 0 381.520 3.018 50 0 GGAARO CN(Cc1cnccn1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000095521121 211267545 /nfs/dbraw/zinc/26/75/45/211267545.db2.gz UEDWZEBFSGJXLH-QFIPXVFZSA-N 1 0 398.551 3.113 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3cccnc3c2)C1 ZINC000095519453 211267329 /nfs/dbraw/zinc/26/73/29/211267329.db2.gz MQEQIWXIOVUZFK-FQEVSTJZSA-N 1 0 391.519 3.403 50 0 GGAARO Cc1cc(NC(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c(Cl)cc1F ZINC000095520979 211266969 /nfs/dbraw/zinc/26/69/69/211266969.db2.gz KUVCFSGFVOOESM-SFHVURJKSA-N 1 0 380.895 3.031 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1c[nH]cn1 ZINC000095521737 211266859 /nfs/dbraw/zinc/26/68/59/211266859.db2.gz ZCOOWWRCFGQIPT-MRXNPFEDSA-N 1 0 394.441 3.455 50 0 GGAARO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cncn3C3CCCCC3)C2)no1 ZINC000095499500 211252142 /nfs/dbraw/zinc/25/21/42/211252142.db2.gz LJMVETVUVJKGJH-QGZVFWFLSA-N 1 0 385.512 3.327 50 0 GGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCC(F)(F)CC2)cc1OC ZINC000095496564 211251695 /nfs/dbraw/zinc/25/16/95/211251695.db2.gz XQLJIEXPOAKTDX-QGZVFWFLSA-N 1 0 386.483 3.008 50 0 GGAARO CCCn1ncc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000095497738 211250586 /nfs/dbraw/zinc/25/05/86/211250586.db2.gz PSUVIWCBFRDOQX-BHDDXSALSA-N 1 0 396.510 3.443 50 0 GGAARO C[N@H+](C[C@@H](O)COc1cccc(CN2CCOC(C)(C)C2)c1)C1CCCCC1 ZINC000095517237 211263413 /nfs/dbraw/zinc/26/34/13/211263413.db2.gz DXJJNYPSCPVPDK-OAQYLSRUSA-N 1 0 390.568 3.302 50 0 GGAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(-c2cccc(C(C)=O)c2)cc1 ZINC000095516434 211262212 /nfs/dbraw/zinc/26/22/12/211262212.db2.gz CAIMKTKTKFXNBA-SFTDATJTSA-N 1 0 381.476 3.397 50 0 GGAARO COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CCN(C(=O)c3ccccc3)CC1)C2 ZINC000095512929 211261778 /nfs/dbraw/zinc/26/17/78/211261778.db2.gz BAIMXCUHUFZAJX-QGZVFWFLSA-N 1 0 380.488 3.141 50 0 GGAARO C[C@H](O)CNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000095513215 211261605 /nfs/dbraw/zinc/26/16/05/211261605.db2.gz BZUUWFBWDGEAHZ-AWEZNQCLSA-N 1 0 382.932 3.340 50 0 GGAARO O=C1CCC2(CC[NH+](Cc3ccc(O)cc3)CC2)CN1CCc1ccccn1 ZINC000095515160 211261621 /nfs/dbraw/zinc/26/16/21/211261621.db2.gz UYXKMWITWOIHNQ-UHFFFAOYSA-N 1 0 379.504 3.235 50 0 GGAARO O=C(CCC1CC[NH+](CCn2cnnc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000095508956 211260000 /nfs/dbraw/zinc/26/00/00/211260000.db2.gz UXDJRIOXEQBBQR-UHFFFAOYSA-N 1 0 379.867 3.202 50 0 GGAARO O=C(CCC1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000095510438 211259669 /nfs/dbraw/zinc/25/96/69/211259669.db2.gz LUTPZJRAMZJDTL-AWEZNQCLSA-N 1 0 381.879 3.046 50 0 GGAARO C[C@H](CO)NC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000095509044 211259710 /nfs/dbraw/zinc/25/97/10/211259710.db2.gz SHQJMPWYBJIWDI-CQSZACIVSA-N 1 0 382.932 3.340 50 0 GGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1 ZINC000095509883 211259048 /nfs/dbraw/zinc/25/90/48/211259048.db2.gz LZJFTICIYADEPX-IBGZPJMESA-N 1 0 386.515 3.313 50 0 GGAARO CC(C)=CCN1CC2(CC1=O)CC[NH+](C[C@H]1CC(c3ccccc3)=NO1)CC2 ZINC000095506979 211258312 /nfs/dbraw/zinc/25/83/12/211258312.db2.gz RJLKQZOVGWLMNC-HXUWFJFHSA-N 1 0 381.520 3.460 50 0 GGAARO O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCc1cc2n(n1)CC[NH2+]C2 ZINC000095505266 211258456 /nfs/dbraw/zinc/25/84/56/211258456.db2.gz YXRUASQNOKLXIJ-FQEVSTJZSA-N 1 0 394.906 3.478 50 0 GGAARO Cc1cccc(-c2ncc(C[N@H+]3C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C3)cn2)c1 ZINC000095505296 211258243 /nfs/dbraw/zinc/25/82/43/211258243.db2.gz QFCMGJXRZQJSOJ-VQTJNVASSA-N 1 0 381.524 3.180 50 0 GGAARO O=C(Cc1ccccn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095505499 211258130 /nfs/dbraw/zinc/25/81/30/211258130.db2.gz LIOGTNUAYDFYFO-JOCHJYFZSA-N 1 0 385.552 3.286 50 0 GGAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000095506195 211257837 /nfs/dbraw/zinc/25/78/37/211257837.db2.gz AGGVRNMEJMPZKE-PMACEKPBSA-N 1 0 385.464 3.328 50 0 GGAARO C[C@H](C(N)=O)[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000095507695 211257699 /nfs/dbraw/zinc/25/76/99/211257699.db2.gz ZXWKDYTULFLDJZ-OAHLLOKOSA-N 1 0 390.487 3.359 50 0 GGAARO CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)ccn1 ZINC000095506461 211257799 /nfs/dbraw/zinc/25/77/99/211257799.db2.gz CCKATUQHPVCBLS-PZJWPPBQSA-N 1 0 378.520 3.293 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cn[nH]c2)CC1 ZINC000095506766 211257003 /nfs/dbraw/zinc/25/70/03/211257003.db2.gz DWJLXLASOPTCLN-QFIPXVFZSA-N 1 0 396.535 3.252 50 0 GGAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc[nH]n2)CC1 ZINC000095506550 211256684 /nfs/dbraw/zinc/25/66/84/211256684.db2.gz DRCPBCPSZSEOSN-UHFFFAOYSA-N 1 0 384.524 3.429 50 0 GGAARO O[C@H](COc1ccc(CN2CC(Oc3ccccc3)C2)cc1)C[NH+]1CCCCC1 ZINC000095502082 211255869 /nfs/dbraw/zinc/25/58/69/211255869.db2.gz BWJXVUZUMNRUSQ-NRFANRHFSA-N 1 0 396.531 3.175 50 0 GGAARO C[NH+]1CCC(O)(CNC(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000095503450 211255440 /nfs/dbraw/zinc/25/54/40/211255440.db2.gz INNYCZHCLIXGAY-IBGZPJMESA-N 1 0 386.923 3.435 50 0 GGAARO Cc1nc[nH]c1C[NH+]1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000095504166 211254917 /nfs/dbraw/zinc/25/49/17/211254917.db2.gz KHLHYOWPHAMCBP-UHFFFAOYSA-N 1 0 384.480 3.120 50 0 GGAARO CC(C)(C)c1cc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)[nH]n1 ZINC000095503118 211254563 /nfs/dbraw/zinc/25/45/63/211254563.db2.gz ULMBSBNRQQGAEP-UHFFFAOYSA-N 1 0 383.540 3.411 50 0 GGAARO CC(C)C/C=C(\C[N@@H+]1CCC[C@@H](CNS(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000095503571 211254601 /nfs/dbraw/zinc/25/46/01/211254601.db2.gz GMHYNSASIFOLIA-IOVUBPJKSA-N 1 0 393.597 3.224 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]cn2)CC1 ZINC000095498951 211253210 /nfs/dbraw/zinc/25/32/10/211253210.db2.gz QAQYKNOLEKEJJV-NRFANRHFSA-N 1 0 396.535 3.252 50 0 GGAARO O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCC[NH+]1CCC(O)CC1 ZINC000095499235 211252919 /nfs/dbraw/zinc/25/29/19/211252919.db2.gz LKBGDIUVFNXGSP-FQEVSTJZSA-N 1 0 386.923 3.435 50 0 GGAARO COc1ccc(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)cc1OC ZINC000095500178 211252788 /nfs/dbraw/zinc/25/27/88/211252788.db2.gz WJJXXYNZRGOORO-VQTJNVASSA-N 1 0 382.504 3.111 50 0 GGAARO CC[C@H]1CN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC[N@@H+]1C(C)C ZINC000095388588 211236636 /nfs/dbraw/zinc/23/66/36/211236636.db2.gz UZEMENJDDIRKSW-HNNXBMFYSA-N 1 0 385.533 3.132 50 0 GGAARO CC1(CCC(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000095391444 211236910 /nfs/dbraw/zinc/23/69/10/211236910.db2.gz NDGCKQPVWGZRNN-MTNREXPMSA-N 1 0 382.504 3.384 50 0 GGAARO COc1cccc([C@@H]2CNC(=O)c3[nH]c(-c4cccc(C[NH+](C)C)c4)nc3C2)c1 ZINC000095390557 211236764 /nfs/dbraw/zinc/23/67/64/211236764.db2.gz CAMLSEAYRQGBQY-SFHVURJKSA-N 1 0 390.487 3.217 50 0 GGAARO c1ccc(-c2noc(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC000095392909 211236779 /nfs/dbraw/zinc/23/67/79/211236779.db2.gz ZWPQNFKYHPWVRW-AZUAARDMSA-N 1 0 375.476 3.228 50 0 GGAARO COc1ccc(CN(C)Cc2ccco2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095497752 211250235 /nfs/dbraw/zinc/25/02/35/211250235.db2.gz JNDBMLFYODPMQN-LJQANCHMSA-N 1 0 388.508 3.146 50 0 GGAARO Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1O ZINC000095389417 211236462 /nfs/dbraw/zinc/23/64/62/211236462.db2.gz ZVZSVGVEXJREKP-KSEOMHKRSA-N 1 0 378.472 3.109 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc4nonc42)C3)cc1 ZINC000095391230 211236544 /nfs/dbraw/zinc/23/65/44/211236544.db2.gz MYDKABNQTAWMFI-PKOBYXMFSA-N 1 0 378.476 3.328 50 0 GGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]c4c(c3c1)CCCC4)C2 ZINC000095359789 211224495 /nfs/dbraw/zinc/22/44/95/211224495.db2.gz MDKCGTFZJKKSPK-SJLPKXTDSA-N 1 0 381.520 3.230 50 0 GGAARO Cc1cccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095357477 211223514 /nfs/dbraw/zinc/22/35/14/211223514.db2.gz JSIIZEIEAQPBFF-WWPVKYPJSA-N 1 0 377.488 3.181 50 0 GGAARO CCc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(OC)cc2)C3)c1C ZINC000095360499 211223452 /nfs/dbraw/zinc/22/34/52/211223452.db2.gz FTBOWBYSHCQOOF-ZWKOTPCHSA-N 1 0 382.508 3.026 50 0 GGAARO O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095357804 211223325 /nfs/dbraw/zinc/22/33/25/211223325.db2.gz JIVZAONOYOGAIR-ZWKOTPCHSA-N 1 0 385.895 3.106 50 0 GGAARO O=C(c1cccc(-n2cccn2)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095359272 211222995 /nfs/dbraw/zinc/22/29/95/211222995.db2.gz WTQWHAKUSTUTPA-SIKLNZKXSA-N 1 0 387.487 3.004 50 0 GGAARO O=C(C1CCCCC1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358373 211222806 /nfs/dbraw/zinc/22/28/06/211222806.db2.gz PQNBOYYHXADRGD-STZQEDGTSA-N 1 0 382.504 3.384 50 0 GGAARO CCc1cnc(C)nc1N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095355587 211222452 /nfs/dbraw/zinc/22/24/52/211222452.db2.gz DFNNPQNLYNVFKR-BHDDXSALSA-N 1 0 378.520 3.423 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)Cc3ccc(O)cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095356790 211222296 /nfs/dbraw/zinc/22/22/96/211222296.db2.gz NZQNASSDYZAQJS-QPTUXGOLSA-N 1 0 392.499 3.032 50 0 GGAARO CCn1nc(C(C)C)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095352480 211222103 /nfs/dbraw/zinc/22/21/03/211222103.db2.gz STSLUBJCKUHSPS-PKOBYXMFSA-N 1 0 381.524 3.158 50 0 GGAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2CCCOCc2ccccc2)C1 ZINC000095355868 211221949 /nfs/dbraw/zinc/22/19/49/211221949.db2.gz DAOUFELBWULUPL-NHCUHLMSSA-N 1 0 379.504 3.225 50 0 GGAARO Cc1ccc2[nH]c(=O)cc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)c2c1 ZINC000095354397 211221980 /nfs/dbraw/zinc/22/19/80/211221980.db2.gz FTFAAFJIRKMJDO-QZTJIDSGSA-N 1 0 379.504 3.173 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)NCc3ccccc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095383673 211235483 /nfs/dbraw/zinc/23/54/83/211235483.db2.gz YBQNYNOZBYPMKL-YTFSRNRJSA-N 1 0 391.515 3.467 50 0 GGAARO CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)no1 ZINC000095383995 211235182 /nfs/dbraw/zinc/23/51/82/211235182.db2.gz GHUFERCXYTWBKR-IOMROCGXSA-N 1 0 381.476 3.206 50 0 GGAARO O=C(CCc1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095385313 211235216 /nfs/dbraw/zinc/23/52/16/211235216.db2.gz YRSGUZMZJXHWRL-MDNUFGMLSA-N 1 0 379.479 3.242 50 0 GGAARO COc1cccc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c1 ZINC000095387290 211235017 /nfs/dbraw/zinc/23/50/17/211235017.db2.gz PIFQPYWBLIENGG-LEWJYISDSA-N 1 0 379.504 3.146 50 0 GGAARO O=C(CCc1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095383310 211234433 /nfs/dbraw/zinc/23/44/33/211234433.db2.gz OWXBIYKHDMGZJA-MDNUFGMLSA-N 1 0 379.479 3.242 50 0 GGAARO Cc1nn(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1Cl ZINC000095386489 211233846 /nfs/dbraw/zinc/23/38/46/211233846.db2.gz JVPUOLMTVHRBHK-DOTOQJQBSA-N 1 0 390.890 3.258 50 0 GGAARO Cc1ncsc1CCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095388305 211233751 /nfs/dbraw/zinc/23/37/51/211233751.db2.gz UIACZHWDJRBNBV-VLCRHTCISA-N 1 0 381.545 3.473 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3scnc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095383295 211233609 /nfs/dbraw/zinc/23/36/09/211233609.db2.gz VLXDNKXQVKPJCT-IPMKNSEASA-N 1 0 383.517 3.163 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cc(C(C)=O)cn2C)C3)cc1 ZINC000095384089 211233717 /nfs/dbraw/zinc/23/37/17/211233717.db2.gz LBTZPAMOYGSLCL-PZJWPPBQSA-N 1 0 381.520 3.333 50 0 GGAARO CCNc1ncc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095378497 211233131 /nfs/dbraw/zinc/23/31/31/211233131.db2.gz SCVFDURBGIQEPB-PWRODBHTSA-N 1 0 381.499 3.110 50 0 GGAARO CCc1noc(C)c1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095381471 211232966 /nfs/dbraw/zinc/23/29/66/211232966.db2.gz UOLVEGVCJFSSKC-IOMROCGXSA-N 1 0 383.467 3.387 50 0 GGAARO COc1cccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095378097 211232755 /nfs/dbraw/zinc/23/27/55/211232755.db2.gz ZFZOZYXWRJYVPX-TUACAJSNSA-N 1 0 392.499 3.486 50 0 GGAARO O=C(Cc1ccc(O)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095380669 211232436 /nfs/dbraw/zinc/23/24/36/211232436.db2.gz RAUBRLPIFKWUGE-GHTZIAJQSA-N 1 0 376.500 3.025 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)Cc3cccc(O)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095378959 211232250 /nfs/dbraw/zinc/23/22/50/211232250.db2.gz MSBAQNRWSIYFOL-QPTUXGOLSA-N 1 0 392.499 3.032 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3ccccc3O)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095381255 211232148 /nfs/dbraw/zinc/23/21/48/211232148.db2.gz LOVPLUKBCWDHDS-CEMLEFRQSA-N 1 0 378.472 3.103 50 0 GGAARO Cn1cc(CCC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000095382625 211231906 /nfs/dbraw/zinc/23/19/06/211231906.db2.gz KEROGIBBIQYBQY-NRFANRHFSA-N 1 0 380.536 3.081 50 0 GGAARO CCc1nccn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000095379612 211231948 /nfs/dbraw/zinc/23/19/48/211231948.db2.gz ADAGPMHLPULVEM-FQEVSTJZSA-N 1 0 380.536 3.174 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095377956 211231760 /nfs/dbraw/zinc/23/17/60/211231760.db2.gz DVWAISVTHTWIGF-TUACAJSNSA-N 1 0 392.499 3.486 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc(-c2cccnc2)nc1 ZINC000095378187 211231770 /nfs/dbraw/zinc/23/17/70/211231770.db2.gz AYWCGSXRTILTAB-LJQANCHMSA-N 1 0 387.487 3.181 50 0 GGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ccc(O)cc3)c1)C2 ZINC000095380101 211231548 /nfs/dbraw/zinc/23/15/48/211231548.db2.gz WPKBLRULBZIVDR-DYESRHJHSA-N 1 0 380.488 3.242 50 0 GGAARO O=C(c1ccc2ncsc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095382660 211231281 /nfs/dbraw/zinc/23/12/81/211231281.db2.gz GHGIPELAMBGNFA-MAUKXSAKSA-N 1 0 378.501 3.428 50 0 GGAARO CC(C)(C)COC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095376119 211230482 /nfs/dbraw/zinc/23/04/82/211230482.db2.gz PVRQEZBABLCRQB-PWIZWCRZSA-N 1 0 386.492 3.460 50 0 GGAARO CCc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000095372642 211230157 /nfs/dbraw/zinc/23/01/57/211230157.db2.gz QOFGOJABHGMMFA-ZWKOTPCHSA-N 1 0 383.492 3.291 50 0 GGAARO c1ccc2c(c1)CC([N@H+]1C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]1C1CCN3CC1)C2 ZINC000095374299 211229811 /nfs/dbraw/zinc/22/98/11/211229811.db2.gz ULHFDTAVEHPNCO-FTBPSBKWSA-N 1 0 388.511 3.445 50 0 GGAARO CCc1cc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc(C)n1 ZINC000095374778 211229424 /nfs/dbraw/zinc/22/94/24/211229424.db2.gz CBXFQINMGRNVNA-CDNPAEQRSA-N 1 0 392.503 3.143 50 0 GGAARO Cc1nnc(SCCCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)s1 ZINC000095374873 211229188 /nfs/dbraw/zinc/22/91/88/211229188.db2.gz VBXIXQFQPIWWJD-MRXNPFEDSA-N 1 0 376.551 3.226 50 0 GGAARO O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095376285 211228990 /nfs/dbraw/zinc/22/89/90/211228990.db2.gz IQUAJCIFGXOARY-LJQANCHMSA-N 1 0 376.504 3.351 50 0 GGAARO COc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095375005 211228980 /nfs/dbraw/zinc/22/89/80/211228980.db2.gz GYZPCVWYPWRXBH-YTFSRNRJSA-N 1 0 392.499 3.406 50 0 GGAARO CCn1nc(C)cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095369980 211228277 /nfs/dbraw/zinc/22/82/77/211228277.db2.gz NYHLNYBYNBGHLH-CEWLAPEOSA-N 1 0 382.483 3.053 50 0 GGAARO CCOCc1cc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)ccc1OC ZINC000095370746 211228405 /nfs/dbraw/zinc/22/84/05/211228405.db2.gz ARYMWDIEGFHAGG-NFBKMPQASA-N 1 0 383.488 3.202 50 0 GGAARO CN(C)c1ccc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1 ZINC000095370330 211228180 /nfs/dbraw/zinc/22/81/80/211228180.db2.gz HZCSNAGITBTHKY-JTHBVZDNSA-N 1 0 392.547 3.203 50 0 GGAARO COc1ccc(/C=C/C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)cc1 ZINC000095367883 211228001 /nfs/dbraw/zinc/22/80/01/211228001.db2.gz SZTRHULWCWCOAF-NQSYBFAHSA-N 1 0 398.547 3.184 50 0 GGAARO O=c1cc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)nc2ccc(Cl)cn12 ZINC000095371709 211227811 /nfs/dbraw/zinc/22/78/11/211227811.db2.gz RFTMXOYNPXOBLD-QFBILLFUSA-N 1 0 386.927 3.044 50 0 GGAARO COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1C ZINC000095372274 211227629 /nfs/dbraw/zinc/22/76/29/211227629.db2.gz GLWCORRHNOJTTJ-UYAOXDASSA-N 1 0 379.504 3.444 50 0 GGAARO CC(C)n1cc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095365586 211226260 /nfs/dbraw/zinc/22/62/60/211226260.db2.gz DCERIEFLVVRTMK-WWPVKYPJSA-N 1 0 394.519 3.255 50 0 GGAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(-c3ccccc3F)o2)C1 ZINC000095363765 211226280 /nfs/dbraw/zinc/22/62/80/211226280.db2.gz UNFJOHCMHXBKPL-DLBZAZTESA-N 1 0 385.483 3.070 50 0 GGAARO O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2)NCc1ccccc1 ZINC000095365748 211226118 /nfs/dbraw/zinc/22/61/18/211226118.db2.gz AUJQODUOBISWBH-RBBKRZOGSA-N 1 0 381.495 3.038 50 0 GGAARO CCOc1cccc(CN(CCO)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000095362973 211226165 /nfs/dbraw/zinc/22/61/65/211226165.db2.gz UQMQOLBXYOCHGJ-OAQYLSRUSA-N 1 0 382.504 3.187 50 0 GGAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000095365665 211225971 /nfs/dbraw/zinc/22/59/71/211225971.db2.gz KZUCCSNGWNQACH-OAQYLSRUSA-N 1 0 381.495 3.251 50 0 GGAARO O=C(c1ccccc1F)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095363804 211225987 /nfs/dbraw/zinc/22/59/87/211225987.db2.gz KWLRRNOCWWTZGK-MTNREXPMSA-N 1 0 394.446 3.257 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ccccc2F)CC3)cn1 ZINC000095366627 211225200 /nfs/dbraw/zinc/22/52/00/211225200.db2.gz IXVCMVDWELCYPC-UHFFFAOYSA-N 1 0 382.483 3.329 50 0 GGAARO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnc(-c4ccccn4)nc2)C3)nc1 ZINC000095364402 211225127 /nfs/dbraw/zinc/22/51/27/211225127.db2.gz QCHKCSRFKOPFLF-GHTZIAJQSA-N 1 0 386.503 3.030 50 0 GGAARO CN(C)c1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095361606 211224450 /nfs/dbraw/zinc/22/44/50/211224450.db2.gz IPYQFGBVTDVAQV-YTFSRNRJSA-N 1 0 391.515 3.161 50 0 GGAARO O=C(CCC(F)(F)F)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357479 211224483 /nfs/dbraw/zinc/22/44/83/211224483.db2.gz XJAJNXQEYZZHOF-GDIGMMSISA-N 1 0 396.409 3.146 50 0 GGAARO COc1ccc(F)cc1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095358953 211224545 /nfs/dbraw/zinc/22/45/45/211224545.db2.gz SYLWCFOBGQPWIZ-UHFFFAOYSA-N 1 0 388.487 3.002 50 0 GGAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000091997536 211211862 /nfs/dbraw/zinc/21/18/62/211211862.db2.gz PJWONQMJHJUINH-QPJJXVBHSA-N 1 0 376.504 3.209 50 0 GGAARO CCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091876457 211210997 /nfs/dbraw/zinc/21/09/97/211210997.db2.gz QPIZSBFREUPZQT-UHFFFAOYSA-N 1 0 396.535 3.256 50 0 GGAARO O=C(NCc1cc2n(n1)CCC[N@H+](Cc1cccc3ncccc13)C2)C1CCC1 ZINC000091896297 211210851 /nfs/dbraw/zinc/21/08/51/211210851.db2.gz KVLZUGVVWGIZDE-UHFFFAOYSA-N 1 0 389.503 3.254 50 0 GGAARO CCOc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)cc1 ZINC000091893968 211210481 /nfs/dbraw/zinc/21/04/81/211210481.db2.gz UMHISQPLZASRIT-UHFFFAOYSA-N 1 0 396.535 3.256 50 0 GGAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](C2Cc4ccccc4C2)CC3)cn1 ZINC000091871817 211210098 /nfs/dbraw/zinc/21/00/98/211210098.db2.gz VJRLPOPGVKTLNL-UHFFFAOYSA-N 1 0 390.531 3.157 50 0 GGAARO COc1ccc2c(c1)C=C(C[N@@H+]1C[C@H]3CC[C@@H]1CN(Cc1cccnc1)C3)CO2 ZINC000095357157 211221382 /nfs/dbraw/zinc/22/13/82/211221382.db2.gz ULIQYYXBJKZMGG-SIKLNZKXSA-N 1 0 391.515 3.462 50 0 GGAARO Cc1ccccc1[C@]1(O)CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000095353748 211221184 /nfs/dbraw/zinc/22/11/84/211221184.db2.gz GLTGTUMYNGLASX-DEOSSOPVSA-N 1 0 378.516 3.295 50 0 GGAARO CCCc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000095352174 211221051 /nfs/dbraw/zinc/22/10/51/211221051.db2.gz MKYJPUUKFPSBKL-CEWLAPEOSA-N 1 0 382.483 3.204 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)Cc3ccsc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095353267 211220834 /nfs/dbraw/zinc/22/08/34/211220834.db2.gz QCCZNKXWWURALW-KSEOMHKRSA-N 1 0 382.529 3.388 50 0 GGAARO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(O)c3)C2)CN1CCc1ccccn1 ZINC000092098131 211216765 /nfs/dbraw/zinc/21/67/65/211216765.db2.gz HBMQFEUKYOSOEM-QHCPKHFHSA-N 1 0 379.504 3.235 50 0 GGAARO CN1CC[C@@]2(CN(C(=O)Nc3cccc4ccccc43)CC[N@@H+]2C)CCC1=O ZINC000092081409 211215884 /nfs/dbraw/zinc/21/58/84/211215884.db2.gz JJAPLICVTWQUOO-JOCHJYFZSA-N 1 0 380.492 3.000 50 0 GGAARO CC[C@@H](C[NH+](C)C)NC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000092062105 211214167 /nfs/dbraw/zinc/21/41/67/211214167.db2.gz LNGQTQZQBAHMRM-ZDUSSCGKSA-N 1 0 388.493 3.242 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(Cl)cc1F)CC2 ZINC000092078080 211213724 /nfs/dbraw/zinc/21/37/24/211213724.db2.gz AFPTUABSRSQEBI-UHFFFAOYSA-N 1 0 376.863 3.212 50 0 GGAARO CCc1ccc2occ(CC(=O)N3C[C@H](CO)C[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000092003262 211213354 /nfs/dbraw/zinc/21/33/54/211213354.db2.gz GJNVIVJXLCKJLW-RTBURBONSA-N 1 0 384.520 3.091 50 0 GGAARO CC[N@H+](C)C[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)C[C@@H]1CO ZINC000091986133 211213011 /nfs/dbraw/zinc/21/30/11/211213011.db2.gz MALPAEQYDMPWNB-RTBURBONSA-N 1 0 376.504 3.293 50 0 GGAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)c1 ZINC000092001723 211212967 /nfs/dbraw/zinc/21/29/67/211212967.db2.gz FEHRRGMYDIETPH-HSZRJFAPSA-N 1 0 378.520 3.498 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)c(C)c1 ZINC000091780152 211204738 /nfs/dbraw/zinc/20/47/38/211204738.db2.gz QURODWGRQXAKOB-UHFFFAOYSA-N 1 0 380.536 3.474 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccco3)o1)C2 ZINC000091706709 211202862 /nfs/dbraw/zinc/20/28/62/211202862.db2.gz QOKBTHGLBNFMMX-JKSUJKDBSA-N 1 0 383.452 3.031 50 0 GGAARO Cc1ccc(SCc2ccc(C(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)o2)cc1 ZINC000091656712 211201880 /nfs/dbraw/zinc/20/18/80/211201880.db2.gz TZPGQDYXTRYCJZ-IAGOWNOFSA-N 1 0 388.533 3.122 50 0 GGAARO Cc1cc(C)n(-c2ccccc2C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)n1 ZINC000091656467 211201711 /nfs/dbraw/zinc/20/17/11/211201711.db2.gz PRKKCRNVRSIPDZ-HXOBKFHXSA-N 1 0 383.536 3.489 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1csc3c1CCCC3)CC2 ZINC000091664774 211201629 /nfs/dbraw/zinc/20/16/29/211201629.db2.gz MKDMIUJRBMBULQ-UHFFFAOYSA-N 1 0 384.549 3.360 50 0 GGAARO CCN1CC2(CC[NH+](Cc3cccnc3N)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091650146 211201130 /nfs/dbraw/zinc/20/11/30/211201130.db2.gz LTDCLIMBSJGCEE-FQEVSTJZSA-N 1 0 378.520 3.282 50 0 GGAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1cnn(-c3cccc(F)c3)c1)C2 ZINC000091663721 211200741 /nfs/dbraw/zinc/20/07/41/211200741.db2.gz HMXBYYJTUNIKQG-JOCHJYFZSA-N 1 0 382.483 3.236 50 0 GGAARO CO[C@H](C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccccc1 ZINC000091650568 211200066 /nfs/dbraw/zinc/20/00/66/211200066.db2.gz IZNOKLAEZUQLGE-NRFANRHFSA-N 1 0 382.508 3.035 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091644415 211199677 /nfs/dbraw/zinc/19/96/77/211199677.db2.gz DJUCPCPRVONHGY-JOCHJYFZSA-N 1 0 382.508 3.134 50 0 GGAARO COc1cccc(-c2cc(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)[nH]n2)c1 ZINC000091625343 211198839 /nfs/dbraw/zinc/19/88/39/211198839.db2.gz GXZLBPWBHGBRPR-LJQANCHMSA-N 1 0 390.487 3.214 50 0 GGAARO O=C(CCc1ccccn1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091624862 211198677 /nfs/dbraw/zinc/19/86/77/211198677.db2.gz CGHBHJLTEAEYBS-PGRDOPGGSA-N 1 0 375.516 3.104 50 0 GGAARO CCN1CC[C@]2(C[N@H+](Cc3c(C)ccc4ncccc43)CCN2C)CCC1=O ZINC000091643310 211198406 /nfs/dbraw/zinc/19/84/06/211198406.db2.gz ZGWHJMIJWIQWQK-QHCPKHFHSA-N 1 0 380.536 3.062 50 0 GGAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(-c4ccccc4F)o3)C2)CN1CCO ZINC000091635760 211198451 /nfs/dbraw/zinc/19/84/51/211198451.db2.gz VOMUILKBLARUEC-JOCHJYFZSA-N 1 0 386.467 3.283 50 0 GGAARO CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000091586115 211197205 /nfs/dbraw/zinc/19/72/05/211197205.db2.gz LVTVYOLQGVUWAM-IEBWSBKVSA-N 1 0 389.503 3.188 50 0 GGAARO CC1(C)CN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C[C@@]1(C)O ZINC000091593059 211197012 /nfs/dbraw/zinc/19/70/12/211197012.db2.gz ZXXWKHLEIXNSNT-XMMPIXPASA-N 1 0 378.516 3.478 50 0 GGAARO CC1(C)CN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C[C@]1(C)O ZINC000091593062 211196857 /nfs/dbraw/zinc/19/68/57/211196857.db2.gz ZXXWKHLEIXNSNT-DEOSSOPVSA-N 1 0 378.516 3.478 50 0 GGAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]2N(C)C)cc1 ZINC000091550803 211196279 /nfs/dbraw/zinc/19/62/79/211196279.db2.gz UPJFBTIWWSHPAK-XZOQPEGZSA-N 1 0 376.504 3.411 50 0 GGAARO CCCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)o1 ZINC000091848070 211207694 /nfs/dbraw/zinc/20/76/94/211207694.db2.gz GFKUWTNJDHOQIJ-UHFFFAOYSA-N 1 0 384.524 3.403 50 0 GGAARO CCn1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c(C)n1 ZINC000091849417 211207552 /nfs/dbraw/zinc/20/75/52/211207552.db2.gz AMGPPYKSQNMCOO-UHFFFAOYSA-N 1 0 381.524 3.011 50 0 GGAARO O=C(CCOc1ccccc1)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091845900 211207159 /nfs/dbraw/zinc/20/71/59/211207159.db2.gz OMGPWJUUYATFSZ-UHFFFAOYSA-N 1 0 382.508 3.117 50 0 GGAARO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4ccccc4C)C3)CCC2=O)cn1 ZINC000091738031 211206544 /nfs/dbraw/zinc/20/65/44/211206544.db2.gz PJKKTKBWPXBFMP-HSZRJFAPSA-N 1 0 378.520 3.498 50 0 GGAARO O=C(c1ccccc1C(F)(F)F)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091745874 211206383 /nfs/dbraw/zinc/20/63/83/211206383.db2.gz KRTNMFYLADEKPS-HZPDHXFCSA-N 1 0 384.442 3.262 50 0 GGAARO Cc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)c1 ZINC000091756102 211206477 /nfs/dbraw/zinc/20/64/77/211206477.db2.gz FHEBXKNMZRNLNP-UHFFFAOYSA-N 1 0 378.520 3.498 50 0 GGAARO Cc1nc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cs1 ZINC000091737798 211206034 /nfs/dbraw/zinc/20/60/34/211206034.db2.gz JAPSQYORNMNSTK-OXJNMPFZSA-N 1 0 381.545 3.084 50 0 GGAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(C)cc1OC)CC2 ZINC000091781450 211205755 /nfs/dbraw/zinc/20/57/55/211205755.db2.gz CDBBEKSANHILAB-UHFFFAOYSA-N 1 0 382.508 3.013 50 0 GGAARO O=C1CCC(c2ccccc2)(c2ccccc2)CN1CC[N@H+]1CCC[C@H](CO)C1 ZINC000091769030 211204896 /nfs/dbraw/zinc/20/48/96/211204896.db2.gz DNEHROHCKBKWDB-NRFANRHFSA-N 1 0 392.543 3.299 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(OC)c(Cl)c1)CC2 ZINC000091757597 211204924 /nfs/dbraw/zinc/20/49/24/211204924.db2.gz WGWGYVYKIXLCEZ-UHFFFAOYSA-N 1 0 388.899 3.081 50 0 GGAARO C[N@@H+]1CCN(Cc2sc3ccccc3c2Cl)C[C@]12CCNC(=O)CC2 ZINC000091305951 211190869 /nfs/dbraw/zinc/19/08/69/211190869.db2.gz XHYGDYUDOCHLRD-IBGZPJMESA-N 1 0 377.941 3.341 50 0 GGAARO COc1ccc2[nH]c(CN3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)c(C)c2c1 ZINC000091390824 211189852 /nfs/dbraw/zinc/18/98/52/211189852.db2.gz VXTCJLTYFFDEIM-UHFFFAOYSA-N 1 0 379.508 3.187 50 0 GGAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)o1 ZINC000091255031 211187541 /nfs/dbraw/zinc/18/75/41/211187541.db2.gz UINCATJSGOCQJS-UHFFFAOYSA-N 1 0 382.508 3.345 50 0 GGAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](CC[C@@H]1CCOC1)CC2 ZINC000091494403 211194756 /nfs/dbraw/zinc/19/47/56/211194756.db2.gz BCXAZRQMLWHNMS-MRXNPFEDSA-N 1 0 378.463 3.206 50 0 GGAARO O=C(c1ccn(C(F)F)n1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091493153 211194393 /nfs/dbraw/zinc/19/43/93/211194393.db2.gz BLNICOLNRCGIHT-ZWKOTPCHSA-N 1 0 388.462 3.447 50 0 GGAARO Cc1cc(C)n(Cc2nc(CC3CC[NH+](C)CC3)nn2Cc2ccccc2)n1 ZINC000091526301 211194253 /nfs/dbraw/zinc/19/42/53/211194253.db2.gz PMVMZSVRHYOEOT-UHFFFAOYSA-N 1 0 378.524 3.072 50 0 GGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000091493273 211194359 /nfs/dbraw/zinc/19/43/59/211194359.db2.gz HRTBSWKXJVQUGT-UHFFFAOYSA-N 1 0 396.535 3.318 50 0 GGAARO Cc1cccc(-n2cc(CN3C[C@H](CO)[C@H](C[NH+]4CCCCCC4)C3)cn2)c1 ZINC000091547722 211193795 /nfs/dbraw/zinc/19/37/95/211193795.db2.gz PEFMFAGWKQYVQN-FGZHOGPDSA-N 1 0 382.552 3.097 50 0 GGAARO COc1ccnc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)c1OC ZINC000091452355 211193176 /nfs/dbraw/zinc/19/31/76/211193176.db2.gz ZZFYOKLXUFSXKO-JOCHJYFZSA-N 1 0 387.524 3.246 50 0 GGAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)[C@@H]1CCc2ccccc21 ZINC000091452219 211192861 /nfs/dbraw/zinc/19/28/61/211192861.db2.gz NSIMHNDJSTXMHG-JOCHJYFZSA-N 1 0 378.520 3.378 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCn3cccn3)CC2)C1 ZINC000091416660 211192553 /nfs/dbraw/zinc/19/25/53/211192553.db2.gz LBFZYBVNVGFLPU-OAQYLSRUSA-N 1 0 380.536 3.391 50 0 GGAARO COc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1 ZINC000091441703 211192581 /nfs/dbraw/zinc/19/25/81/211192581.db2.gz ISANZDATROVQAL-UHFFFAOYSA-N 1 0 379.504 3.495 50 0 GGAARO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000085876470 211178533 /nfs/dbraw/zinc/17/85/33/211178533.db2.gz MATIZKUBXGKERV-GHTZIAJQSA-N 1 0 396.535 3.317 50 0 biogenic GGAARO Cc1cn2cc(C(=O)NCC3CC[NH+](CCc4ccccc4)CC3)ccc2n1 ZINC000082139217 211161422 /nfs/dbraw/zinc/16/14/22/211161422.db2.gz IJADYSYQIYNROF-UHFFFAOYSA-N 1 0 376.504 3.327 50 0 GGAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)NCc3ccc(Cl)cc3)cc2C1 ZINC000082098270 211158981 /nfs/dbraw/zinc/15/89/81/211158981.db2.gz OSUTWCOERATBJW-UHFFFAOYSA-N 1 0 375.904 3.008 50 0 GGAARO CCC(C)(CC)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106740 211159100 /nfs/dbraw/zinc/15/91/00/211159100.db2.gz NZKDWAZCCIJVEV-HXUWFJFHSA-N 1 0 386.584 3.453 50 0 GGAARO O=C(NCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082137964 211162498 /nfs/dbraw/zinc/16/24/98/211162498.db2.gz PTCIHASOLGBUEI-QFIPXVFZSA-N 1 0 396.579 3.375 50 0 GGAARO COc1ccc(-n2nc(NC(=O)C[NH3+])c3c2cccc3Oc2cccnc2)cc1 ZINC000077485749 211135749 /nfs/dbraw/zinc/13/57/49/211135749.db2.gz ZMAQVRJGIDKVJA-UHFFFAOYSA-N 1 0 389.415 3.119 50 0 GGAARO CCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccn4)nc3)CC[C@H]21 ZINC000077459092 211135360 /nfs/dbraw/zinc/13/53/60/211135360.db2.gz RIQQBLDEBSLCRL-AZUAARDMSA-N 1 0 379.508 3.152 50 0 GGAARO CN(C)Cc1nnc(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1C ZINC000077471051 211134655 /nfs/dbraw/zinc/13/46/55/211134655.db2.gz RRZDHCVUMGXYGI-UHFFFAOYSA-N 1 0 381.446 3.275 50 0 GGAARO Cc1cc(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccc(F)cc2n1 ZINC000077459977 211134668 /nfs/dbraw/zinc/13/46/68/211134668.db2.gz FLWWYYZCMSNYDS-IYBDPMFKSA-N 1 0 385.483 3.396 50 0 GGAARO Cc1nn(CCO)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000077387026 211132353 /nfs/dbraw/zinc/13/23/53/211132353.db2.gz FYXDONNLGQZXDD-LJQANCHMSA-N 1 0 379.508 3.262 50 0 GGAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CN1CCO ZINC000077420823 211132447 /nfs/dbraw/zinc/13/24/47/211132447.db2.gz WHYUCEWKNBGQBO-OAQYLSRUSA-N 1 0 385.533 3.007 50 0 GGAARO CN(Cc1cnc2ccccn12)C(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000077284586 211128756 /nfs/dbraw/zinc/12/87/56/211128756.db2.gz PCMWBAKMCRZDHU-UHFFFAOYSA-N 1 0 398.894 3.147 50 0 GGAARO COC[C@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072419166 211116174 /nfs/dbraw/zinc/11/61/74/211116174.db2.gz YIPCFECGCTWWAC-INIZCTEOSA-N 1 0 386.927 3.272 50 0 GGAARO CC[C@@]1(C)CC(=O)c2cc(NC(=O)CCc3cc4n(n3)CCC[NH2+]C4)ccc2O1 ZINC000072423356 211115833 /nfs/dbraw/zinc/11/58/33/211115833.db2.gz CXQZHNBJYKBNCF-QFIPXVFZSA-N 1 0 396.491 3.082 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC(=O)NC[C@H]2C)c1 ZINC000072421910 211115668 /nfs/dbraw/zinc/11/56/68/211115668.db2.gz VGNAHJQRHYAKCI-QGZVFWFLSA-N 1 0 390.487 3.258 50 0 GGAARO c1c(CNc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)[nH]nc1-c1ccccc1 ZINC000072421111 211115797 /nfs/dbraw/zinc/11/57/97/211115797.db2.gz XHSPCXUJKYBJQE-UHFFFAOYSA-N 1 0 397.486 3.229 50 0 GGAARO Nc1ncccc1C[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077321934 211128366 /nfs/dbraw/zinc/12/83/66/211128366.db2.gz PVBDYDDHCIVRJG-UHFFFAOYSA-N 1 0 384.911 3.332 50 0 GGAARO COc1ccc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2OC)c(C)c1 ZINC000072478603 211125039 /nfs/dbraw/zinc/12/50/39/211125039.db2.gz GEEVLJOVPOBFJS-RTWAWAEBSA-N 1 0 380.488 3.125 50 0 GGAARO CCC[C@@H](C)N1CC2(CC[NH+](Cc3ccccc3OCCO)CC2)OC1=O ZINC000072480418 211123755 /nfs/dbraw/zinc/12/37/55/211123755.db2.gz WDAXBDOYUUJJKT-QGZVFWFLSA-N 1 0 376.497 3.033 50 0 GGAARO [NH3+][C@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000072472921 211122649 /nfs/dbraw/zinc/12/26/49/211122649.db2.gz YNSKGEPNLYBGJO-KRWDZBQOSA-N 1 0 378.394 3.215 50 0 GGAARO COc1ccc2cc(CN3CC[N@H+](C)[C@@H](CO)C3)c(-c3cccs3)nc2c1 ZINC000072462769 211122249 /nfs/dbraw/zinc/12/22/49/211122249.db2.gz UPDWHJAKTGEFKK-QGZVFWFLSA-N 1 0 383.517 3.080 50 0 GGAARO CC(=O)c1[nH]c(C)c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1C ZINC000072473855 211122322 /nfs/dbraw/zinc/12/23/22/211122322.db2.gz WJUNFKZQTCVEIH-UHFFFAOYSA-N 1 0 379.504 3.497 50 0 GGAARO Cc1ncn(-c2cc(NCCNC(=O)Nc3ccccc3C)[nH+]c(C)n2)c1C ZINC000072436977 211120458 /nfs/dbraw/zinc/12/04/58/211120458.db2.gz HQGMKUCZPBCTOI-UHFFFAOYSA-N 1 0 379.468 3.130 50 0 GGAARO CC(C)(O)CCc1ccc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000072435795 211120541 /nfs/dbraw/zinc/12/05/41/211120541.db2.gz QBMSFTHIMJZWBA-UHFFFAOYSA-N 1 0 390.593 3.480 50 0 GGAARO Cc1nnc(-c2cccc(-n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)c2)s1 ZINC000072447311 211120567 /nfs/dbraw/zinc/12/05/67/211120567.db2.gz SLYSMADENCOGNK-UHFFFAOYSA-N 1 0 377.477 3.056 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN1Cc2c(cccc2C(=O)NCc2ccc(C)s2)C1=O ZINC000072433396 211118722 /nfs/dbraw/zinc/11/87/22/211118722.db2.gz RUYLWVGZUUKYIL-INIZCTEOSA-N 1 0 397.544 3.427 50 0 GGAARO O=C(c1cccc2nccnc21)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072426461 211118797 /nfs/dbraw/zinc/11/87/97/211118797.db2.gz OWLJCESXRWUQKP-UHFFFAOYSA-N 1 0 376.504 3.356 50 0 GGAARO O=C(c1coc2c1C(=O)CCC2)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072431691 211118848 /nfs/dbraw/zinc/11/88/48/211118848.db2.gz OXYSLEDFIUHJEY-UHFFFAOYSA-N 1 0 378.472 3.462 50 0 GGAARO COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCSC)C2)ccc1F ZINC000072430945 211117104 /nfs/dbraw/zinc/11/71/04/211117104.db2.gz KEANARFRKQBQKL-FUHWJXTLSA-N 1 0 380.529 3.400 50 0 GGAARO Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@H](c3ccco3)[NH+](C)C)c12 ZINC000072418727 211116563 /nfs/dbraw/zinc/11/65/63/211116563.db2.gz FZRKRRYSZXBUDK-OAHLLOKOSA-N 1 0 377.452 3.042 50 0 GGAARO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nc1 ZINC000072418005 211116769 /nfs/dbraw/zinc/11/67/69/211116769.db2.gz CAJJHUOZBAOQJE-HSZRJFAPSA-N 1 0 378.520 3.444 50 0 GGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000072407112 211114846 /nfs/dbraw/zinc/11/48/46/211114846.db2.gz JHNHQUOFUNWVAU-UHFFFAOYSA-N 1 0 389.499 3.307 50 0 GGAARO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072412393 211113717 /nfs/dbraw/zinc/11/37/17/211113717.db2.gz OIEJBFBJUUOISD-JOCHJYFZSA-N 1 0 381.495 3.135 50 0 GGAARO CCCc1ncncc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072173798 211081369 /nfs/dbraw/zinc/08/13/69/211081369.db2.gz VLKJSGNDAKBDHU-KSEOMHKRSA-N 1 0 376.504 3.132 50 0 GGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1cn(-c2ccccc2)nn1 ZINC000072144724 211076555 /nfs/dbraw/zinc/07/65/55/211076555.db2.gz FCNSBNDXSVRZPE-UHFFFAOYSA-N 1 0 375.476 3.135 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NC[C@@H]2CCCOC2)Cc2ccccc2C1 ZINC000072144553 211076644 /nfs/dbraw/zinc/07/66/44/211076644.db2.gz MEYPRXKLUICPNU-NRFANRHFSA-N 1 0 392.543 3.241 50 0 GGAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072143758 211076258 /nfs/dbraw/zinc/07/62/58/211076258.db2.gz QPSVTCJESVMYHA-FQEVSTJZSA-N 1 0 376.504 3.271 50 0 GGAARO COc1ccccc1[C@@H]1CN(C(=O)c2cncc(C)c2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072146034 211075415 /nfs/dbraw/zinc/07/54/15/211075415.db2.gz LIXHIEGXDAICQA-KSEOMHKRSA-N 1 0 377.488 3.101 50 0 GGAARO COc1cccc([C@@H]2CN(c3ccc(C(C)=O)cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072145220 211075978 /nfs/dbraw/zinc/07/59/78/211075978.db2.gz QMEUUOPIDPZJOT-MDNUFGMLSA-N 1 0 377.488 3.359 50 0 GGAARO CCn1ncc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1C ZINC000072145181 211075514 /nfs/dbraw/zinc/07/55/14/211075514.db2.gz GLCSSBNGEFOLOD-PWRODBHTSA-N 1 0 382.483 3.053 50 0 GGAARO Cc1noc2nc(C)nc(N3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CC[NH+]4CC3)c12 ZINC000072165709 211080544 /nfs/dbraw/zinc/08/05/44/211080544.db2.gz ANYOSRUZIOMQGN-DFQSSKMNSA-N 1 0 375.476 3.301 50 0 GGAARO O[C@H]1[C@H](NCc2cc(-c3ccccc3)no2)c2ccccc2C12CC[NH2+]CC2 ZINC000072168743 211080184 /nfs/dbraw/zinc/08/01/84/211080184.db2.gz XHXUWQPIFNSCPG-YADHBBJMSA-N 1 0 375.472 3.168 50 0 GGAARO OCCOc1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072164807 211080191 /nfs/dbraw/zinc/08/01/91/211080191.db2.gz ZCWZZHLGRKAOIJ-WXFUMESZSA-N 1 0 396.506 3.259 50 0 GGAARO CN(C)c1ncc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000072171107 211079732 /nfs/dbraw/zinc/07/97/32/211079732.db2.gz WSCPKENSPLOTGA-UHFFFAOYSA-N 1 0 387.531 3.450 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCSCC2)Cc2ccccc2C1 ZINC000072157806 211078706 /nfs/dbraw/zinc/07/87/06/211078706.db2.gz UAPXACVSURQPIV-UHFFFAOYSA-N 1 0 380.557 3.274 50 0 GGAARO Oc1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072159323 211078532 /nfs/dbraw/zinc/07/85/32/211078532.db2.gz IMTPCKONDNTQRV-WWPVKYPJSA-N 1 0 378.472 3.183 50 0 GGAARO COc1cccc([C@@H]2CN(C(=O)c3cnccc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072154021 211078259 /nfs/dbraw/zinc/07/82/59/211078259.db2.gz MPQDXWYUKSMTRW-BHDDXSALSA-N 1 0 377.488 3.101 50 0 GGAARO COc1cccc([C@@H]2CN(c3ncnc4[nH]ccc43)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072152634 211077964 /nfs/dbraw/zinc/07/79/64/211077964.db2.gz RGXHDXDVXGSJMV-XUVXKRRUSA-N 1 0 375.476 3.033 50 0 GGAARO Clc1ccc([C@@H]2CN(Cc3cc4n(n3)CCC[NH2+]C4)CCO2)cc1Cl ZINC000072151996 211077874 /nfs/dbraw/zinc/07/78/74/211077874.db2.gz HWYYAYFAUUNFLD-SFHVURJKSA-N 1 0 381.307 3.257 50 0 GGAARO Cn1ncc2c1nc(C(C)(C)C)nc2N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072152069 211077694 /nfs/dbraw/zinc/07/76/94/211077694.db2.gz CKFDYIDQPBVPSV-MRXNPFEDSA-N 1 0 379.512 3.132 50 0 GGAARO COCc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)o1 ZINC000072156546 211077709 /nfs/dbraw/zinc/07/77/09/211077709.db2.gz QJVIXMOVRAQZQF-CEWLAPEOSA-N 1 0 384.451 3.268 50 0 GGAARO COc1ccccc1[C@H]1CN(C(=O)NCc2ccco2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072162426 211077786 /nfs/dbraw/zinc/07/77/86/211077786.db2.gz UQMDDXGDLSPZLU-HMXCVIKNSA-N 1 0 381.476 3.060 50 0 GGAARO CN1CCC([NH+]2CCC(Nc3cc(-c4ccccc4)nc4ccnn43)CC2)CC1 ZINC000072154795 211077484 /nfs/dbraw/zinc/07/74/84/211077484.db2.gz LDSBJCHSNKDKCH-UHFFFAOYSA-N 1 0 390.535 3.367 50 0 GGAARO CCc1cnc(C)nc1N1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000072140115 211074200 /nfs/dbraw/zinc/07/42/00/211074200.db2.gz UXNHRMZBUWNELA-NRFANRHFSA-N 1 0 379.552 3.447 50 0 GGAARO CCc1cnc(C)nc1N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000072140116 211074291 /nfs/dbraw/zinc/07/42/91/211074291.db2.gz UXNHRMZBUWNELA-OAQYLSRUSA-N 1 0 379.552 3.447 50 0 GGAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(C)c(F)c2)[nH+]1 ZINC000072140643 211073779 /nfs/dbraw/zinc/07/37/79/211073779.db2.gz CBPLJMVGFVATBZ-UHFFFAOYSA-N 1 0 386.475 3.456 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3ncnc4[nH]ccc43)C2)CC1 ZINC000072135175 211073522 /nfs/dbraw/zinc/07/35/22/211073522.db2.gz MZUZZFCAUOBHMW-GOSISDBHSA-N 1 0 376.508 3.057 50 0 GGAARO Cc1ccc(C2(O)CCN(C(=O)c3ccc(C[C@@H]4CCC[NH2+]C4)cc3)CC2)nc1 ZINC000072134514 211073555 /nfs/dbraw/zinc/07/35/55/211073555.db2.gz DGODKIUQHHZWFT-FQEVSTJZSA-N 1 0 393.531 3.056 50 0 GGAARO Cc1ccc(C2(O)CCN(C(=O)c3ccc(C[C@H]4CCC[NH2+]C4)cc3)CC2)nc1 ZINC000072134515 211073278 /nfs/dbraw/zinc/07/32/78/211073278.db2.gz DGODKIUQHHZWFT-HXUWFJFHSA-N 1 0 393.531 3.056 50 0 GGAARO COC(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072133234 211073292 /nfs/dbraw/zinc/07/32/92/211073292.db2.gz YOMQNJWYQIWPCG-IBGZPJMESA-N 1 0 378.488 3.228 50 0 GGAARO CNc1nc(CN2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cs1 ZINC000072120925 211072210 /nfs/dbraw/zinc/07/22/10/211072210.db2.gz KKKUVWVFRLBECZ-VAMGGRTRSA-N 1 0 384.549 3.256 50 0 GGAARO CCc1cc(N2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)ncn1 ZINC000072125608 211072288 /nfs/dbraw/zinc/07/22/88/211072288.db2.gz JLEWYNGNBYFMGH-IBGZPJMESA-N 1 0 384.524 3.200 50 0 GGAARO Cc1nccn1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072120777 211071979 /nfs/dbraw/zinc/07/19/79/211071979.db2.gz BOJPTWOEFQVUOY-OAQYLSRUSA-N 1 0 386.515 3.480 50 0 GGAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000072145916 211075255 /nfs/dbraw/zinc/07/52/55/211075255.db2.gz CNCGCNBKPZQANS-UHFFFAOYSA-N 1 0 389.931 3.318 50 0 GGAARO O=C(c1ccc2cccnc2n1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071774611 211062401 /nfs/dbraw/zinc/06/24/01/211062401.db2.gz IAHDDXVPECNDGL-KSEOMHKRSA-N 1 0 384.483 3.332 50 0 GGAARO CC(C)CN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CC1 ZINC000071774999 211062048 /nfs/dbraw/zinc/06/20/48/211062048.db2.gz GYBMYBBUPKZCRQ-NRFANRHFSA-N 1 0 398.595 3.405 50 0 GGAARO CN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071774949 211061671 /nfs/dbraw/zinc/06/16/71/211061671.db2.gz KGXUPFUBFBPSJI-FQEVSTJZSA-N 1 0 396.535 3.010 50 0 GGAARO COc1cccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1OCC[NH+](C)C ZINC000071762405 211061052 /nfs/dbraw/zinc/06/10/52/211061052.db2.gz IXIXIZCLWDTXSQ-OAQYLSRUSA-N 1 0 388.483 3.348 50 0 GGAARO CCC1(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CCC1 ZINC000071762578 211060025 /nfs/dbraw/zinc/06/00/25/211060025.db2.gz ZASAIIGFFPUSEB-OAQYLSRUSA-N 1 0 398.595 3.455 50 0 GGAARO CC(C)C1(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071762864 211059835 /nfs/dbraw/zinc/05/98/35/211059835.db2.gz SAJBGHGJGCEWHF-OAQYLSRUSA-N 1 0 398.595 3.310 50 0 GGAARO Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071753160 211054897 /nfs/dbraw/zinc/05/48/97/211054897.db2.gz VUKKZPCZXHQQNR-IBGZPJMESA-N 1 0 383.540 3.237 50 0 GGAARO CCC(CC)N(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071746377 211054375 /nfs/dbraw/zinc/05/43/75/211054375.db2.gz LKJBBFMWXRIRMR-HXUWFJFHSA-N 1 0 386.584 3.405 50 0 GGAARO CC[C@H]1C[N@H+](Cc2cccc(OCCO)c2)CCC(=O)N1Cc1ccccc1 ZINC000071747516 211053788 /nfs/dbraw/zinc/05/37/88/211053788.db2.gz OHAJFDDRICDAEO-NRFANRHFSA-N 1 0 382.504 3.071 50 0 GGAARO Cc1cnn(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071745178 211053302 /nfs/dbraw/zinc/05/33/02/211053302.db2.gz OCTXNEORGPVJNC-NRFANRHFSA-N 1 0 386.515 3.480 50 0 GGAARO CC[C@H]1C[N@H+](Cc2ccccc2OCCO)CCC(=O)N1Cc1ccccc1 ZINC000071746573 211053326 /nfs/dbraw/zinc/05/33/26/211053326.db2.gz KZONNDSBZNUNJG-NRFANRHFSA-N 1 0 382.504 3.071 50 0 GGAARO CCC1(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071748311 211053008 /nfs/dbraw/zinc/05/30/08/211053008.db2.gz LBSXLBVJCDEBQM-FQEVSTJZSA-N 1 0 384.568 3.064 50 0 GGAARO O=c1n(Cc2cccc3cccnc32)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071714778 211052344 /nfs/dbraw/zinc/05/23/44/211052344.db2.gz LYTRCWIAXVAORA-SFHVURJKSA-N 1 0 385.471 3.098 50 0 GGAARO Cc1cc(=O)c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c[nH]1 ZINC000071736194 211052396 /nfs/dbraw/zinc/05/23/96/211052396.db2.gz VCQQNRJLBMUQNJ-FQEVSTJZSA-N 1 0 385.483 3.195 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccccc3)CC2)C1)N1CCCC1 ZINC000071721527 211051547 /nfs/dbraw/zinc/05/15/47/211051547.db2.gz UMAGKMJHFSTCPG-MOVYNIQHSA-N 1 0 381.564 3.499 50 0 GGAARO OCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000071751829 211056628 /nfs/dbraw/zinc/05/66/28/211056628.db2.gz JUPKOVHJNNQXFH-RBZQAINGSA-N 1 0 378.516 3.120 50 0 GGAARO COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1C[NH2+]C1CCCCC1 ZINC000071752092 211056339 /nfs/dbraw/zinc/05/63/39/211056339.db2.gz SWYWIBKYPAQZJR-UHFFFAOYSA-N 1 0 380.492 3.106 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC000071750591 211055884 /nfs/dbraw/zinc/05/58/84/211055884.db2.gz PSAGNROUPNMGST-GOSISDBHSA-N 1 0 378.520 3.194 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)N(C/C=C/c3ccccc3)C3CC3)C2)CC1 ZINC000071752807 211055951 /nfs/dbraw/zinc/05/59/51/211055951.db2.gz SSTPJSHWZPXEMP-AEVNEEFTSA-N 1 0 381.564 3.497 50 0 GGAARO CC(C)[C@H]1CN(C2CCN(C(=O)c3ccccn3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071752077 211055509 /nfs/dbraw/zinc/05/55/09/211055509.db2.gz BVRFLXNYNDAOOG-JOCHJYFZSA-N 1 0 384.568 3.129 50 0 GGAARO CCc1[nH]c2c(cc(F)cc2CNC(=O)CC[C@H](C)[NH+]2CCOCC2)c1C ZINC000071479596 211050073 /nfs/dbraw/zinc/05/00/73/211050073.db2.gz GLKVUZGDWPXUAS-AWEZNQCLSA-N 1 0 375.488 3.295 50 0 GGAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccc4c(c3)OCO4)nc2)C1 ZINC000071575142 211049340 /nfs/dbraw/zinc/04/93/40/211049340.db2.gz RQFKWEOPCWHXSF-MRXNPFEDSA-N 1 0 381.476 3.185 50 0 GGAARO CC(C)N(CC1CC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071440501 211049261 /nfs/dbraw/zinc/04/92/61/211049261.db2.gz UKRHJXDCIWRFJY-JOCHJYFZSA-N 1 0 398.595 3.405 50 0 GGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccs3)CC2)C1 ZINC000071388772 211047188 /nfs/dbraw/zinc/04/71/88/211047188.db2.gz CFMFYRCMCYRILC-LJQANCHMSA-N 1 0 398.576 3.136 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000071388844 211046535 /nfs/dbraw/zinc/04/65/35/211046535.db2.gz MMBBCNCWCJAIKI-CQSZACIVSA-N 1 0 396.457 3.060 50 0 GGAARO COc1ccc(-c2nc(C[NH+]3CCC4(CNC(=O)C4)CC3)c(C)o2)c(C)c1C ZINC000071388537 211046459 /nfs/dbraw/zinc/04/64/59/211046459.db2.gz ZAICGCRYTFYRTB-UHFFFAOYSA-N 1 0 383.492 3.378 50 0 GGAARO Cc1cc2c(nc3n(CC[NH+](C)C)nc(SCc4ccccc4)n3c2=O)s1 ZINC000071281589 211042317 /nfs/dbraw/zinc/04/23/17/211042317.db2.gz QJWGZDBZTVYFAE-UHFFFAOYSA-N 1 0 399.545 3.268 50 0 GGAARO C[NH+](C)CCCSc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1 ZINC000071282562 211042038 /nfs/dbraw/zinc/04/20/38/211042038.db2.gz HSCHKXPESSIMLC-UHFFFAOYSA-N 1 0 379.489 3.077 50 0 GGAARO COc1cccc(-c2cn3c(C(=O)NCC[C@H]4CCC[N@@H+]4C)csc3n2)c1 ZINC000067964750 211031971 /nfs/dbraw/zinc/03/19/71/211031971.db2.gz VEIGWNVWSKULCQ-OAHLLOKOSA-N 1 0 384.505 3.286 50 0 GGAARO CN1CCCNC(=O)C12CC[NH+](Cc1cccc3c4ccccc4oc31)CC2 ZINC000067966995 211031783 /nfs/dbraw/zinc/03/17/83/211031783.db2.gz QQJKNCNUYZTKSW-UHFFFAOYSA-N 1 0 377.488 3.372 50 0 GGAARO C[C@]([NH3+])(Cc1ccccc1)C(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000067966384 211031665 /nfs/dbraw/zinc/03/16/65/211031665.db2.gz GZPRYIOQMOGAEZ-QFIPXVFZSA-N 1 0 378.451 3.061 50 0 GGAARO O=C(Nc1ccncc1)c1cccc(C[N@@H+]2CCC[C@@H](CN3CCCC3=O)C2)c1 ZINC000067981807 211031253 /nfs/dbraw/zinc/03/12/53/211031253.db2.gz DIPDVPBQDQOZON-LJQANCHMSA-N 1 0 392.503 3.168 50 0 GGAARO CC(C)([NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O)c1ccccc1 ZINC000067965867 211030685 /nfs/dbraw/zinc/03/06/85/211030685.db2.gz XPZKHTIRNRQHNQ-JOCHJYFZSA-N 1 0 388.458 3.343 50 0 GGAARO C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCOc3ccccc3C2)no1 ZINC000067818806 211022784 /nfs/dbraw/zinc/02/27/84/211022784.db2.gz IIBCHROYUFFLHP-UHFFFAOYSA-N 1 0 391.471 3.384 50 0 GGAARO Cc1cc(C)cc(N2CCC([NH2+]CCn3ncc4ccccc4c3=O)CC2)c1 ZINC000067896031 211029509 /nfs/dbraw/zinc/02/95/09/211029509.db2.gz QKEDBDUIANYXEO-UHFFFAOYSA-N 1 0 376.504 3.272 50 0 GGAARO COc1cccc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000067909222 211028875 /nfs/dbraw/zinc/02/88/75/211028875.db2.gz IXUHIHWQADKBGX-DEOSSOPVSA-N 1 0 396.531 3.462 50 0 GGAARO C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000067894299 211028751 /nfs/dbraw/zinc/02/87/51/211028751.db2.gz HJLDYTFLWDTLTF-UHFFFAOYSA-N 1 0 375.476 3.208 50 0 GGAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067884905 211027595 /nfs/dbraw/zinc/02/75/95/211027595.db2.gz CDXXVSWZBASGAA-FQEVSTJZSA-N 1 0 387.483 3.492 50 0 GGAARO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000067847090 211025428 /nfs/dbraw/zinc/02/54/28/211025428.db2.gz YJEDTULWSOWMMY-AWEZNQCLSA-N 1 0 375.419 3.235 50 0 GGAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000067847213 211025062 /nfs/dbraw/zinc/02/50/62/211025062.db2.gz AMALDKACZMVJJA-QFIPXVFZSA-N 1 0 394.475 3.216 50 0 GGAARO COc1ccc2[nH]c(C[NH2+]Cc3cn(CCC(N)=O)c4ccccc34)cc2c1 ZINC000067757096 211021739 /nfs/dbraw/zinc/02/17/39/211021739.db2.gz OIHIUXMZZFTKPJ-UHFFFAOYSA-N 1 0 376.460 3.296 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc(-c4cnco4)c3)cnn2c1 ZINC000067771431 211021301 /nfs/dbraw/zinc/02/13/01/211021301.db2.gz JEWQRTATOLCJIF-UHFFFAOYSA-N 1 0 390.447 3.478 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1F ZINC000067758580 211020682 /nfs/dbraw/zinc/02/06/82/211020682.db2.gz OKXYVFLUAXJXTP-JOCHJYFZSA-N 1 0 388.458 3.041 50 0 GGAARO Cc1ccc2cc(CN(Cc3ccncc3)C3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000067785046 211020794 /nfs/dbraw/zinc/02/07/94/211020794.db2.gz DHBHLTXBFONHSP-UHFFFAOYSA-N 1 0 376.504 3.328 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1ccc(F)cc1F ZINC000067739763 211020013 /nfs/dbraw/zinc/02/00/13/211020013.db2.gz OTZKYTJDGMPOIB-QFIPXVFZSA-N 1 0 388.458 3.041 50 0 GGAARO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)c(C)o2)cc2c1OCO2 ZINC000067724134 211020024 /nfs/dbraw/zinc/02/00/24/211020024.db2.gz SIMDAFFJBFLSRR-HNNXBMFYSA-N 1 0 388.464 3.370 50 0 GGAARO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)c(C)o2)cc2c1OCO2 ZINC000067724138 211019454 /nfs/dbraw/zinc/01/94/54/211019454.db2.gz SIMDAFFJBFLSRR-OAHLLOKOSA-N 1 0 388.464 3.370 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676850 211015801 /nfs/dbraw/zinc/01/58/01/211015801.db2.gz RZYHWEVKBBPNSH-JOCHJYFZSA-N 1 0 391.559 3.493 50 0 GGAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H]3c3nccs3)cnn2c1 ZINC000067789345 211021997 /nfs/dbraw/zinc/02/19/97/211021997.db2.gz KFJHVQTVTIOVJH-INIZCTEOSA-N 1 0 384.509 3.005 50 0 GGAARO O=C(c1[nH]nnc1Nc1cccc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000067284655 211007045 /nfs/dbraw/zinc/00/70/45/211007045.db2.gz XSCCHHPCHLJAQS-UHFFFAOYSA-N 1 0 388.903 3.292 50 0 GGAARO O=C(c1[nH]nnc1Nc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000067284283 211006696 /nfs/dbraw/zinc/00/66/96/211006696.db2.gz FPZREVAQGCYTOW-UHFFFAOYSA-N 1 0 388.903 3.292 50 0 GGAARO COCC1CC[NH+](C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067604251 211012981 /nfs/dbraw/zinc/01/29/81/211012981.db2.gz JARFSEBWSDNZTL-HSZRJFAPSA-N 1 0 388.552 3.022 50 0 GGAARO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000067630208 211013086 /nfs/dbraw/zinc/01/30/86/211013086.db2.gz PZTRSJSMCDZWKR-UHFFFAOYSA-N 1 0 394.450 3.404 50 0 GGAARO O=C(c1[nH]nnc1Nc1cccc(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000067284631 211006201 /nfs/dbraw/zinc/00/62/01/211006201.db2.gz WOXCGUAJDUITQF-UHFFFAOYSA-N 1 0 388.903 3.292 50 0 GGAARO O=C(c1[nH]nnc1Nc1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000067284304 211006312 /nfs/dbraw/zinc/00/63/12/211006312.db2.gz QLAIAJSOJBBMMJ-UHFFFAOYSA-N 1 0 388.903 3.292 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1C1Cc2ccccc2C1 ZINC000023360611 210442643 /nfs/dbraw/zinc/44/26/43/210442643.db2.gz PHZWBUINAZXAEH-DHLKQENFSA-N 1 0 399.538 3.286 50 0 GGAARO CN(Cc1cccn1-c1ncccn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000022920172 210427231 /nfs/dbraw/zinc/42/72/31/210427231.db2.gz CMRLMORYEOVGIH-NRFANRHFSA-N 1 0 375.520 3.406 50 0 GGAARO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795070 210393501 /nfs/dbraw/zinc/39/35/01/210393501.db2.gz GSVPQIVVWFJANH-UHFFFAOYSA-N 1 0 380.496 3.048 50 0 GGAARO Cc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793640 210393583 /nfs/dbraw/zinc/39/35/83/210393583.db2.gz KMLQLNFWBWCAPM-UHFFFAOYSA-N 1 0 385.899 3.001 50 0 GGAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4ccncc4)nn3cnc21 ZINC000021801525 210392738 /nfs/dbraw/zinc/39/27/38/210392738.db2.gz GALCUYREAXTVPJ-UHFFFAOYSA-N 1 0 377.496 3.490 50 0 GGAARO COc1ccc([C@H](CNC(=O)[C@@H]2COc3ccccc3O2)[NH+]2CCCCC2)cc1 ZINC000021170297 210379942 /nfs/dbraw/zinc/37/99/42/210379942.db2.gz PIKCSHWKYXCKAA-UGKGYDQZSA-N 1 0 396.487 3.178 50 0 GGAARO COc1ccc([C@H](CNC(=O)[C@H]2COc3ccccc3O2)[NH+]2CCCCC2)cc1 ZINC000021170309 210379660 /nfs/dbraw/zinc/37/96/60/210379660.db2.gz PIKCSHWKYXCKAA-SIKLNZKXSA-N 1 0 396.487 3.178 50 0 GGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020995704 210373475 /nfs/dbraw/zinc/37/34/75/210373475.db2.gz YGXJQIBOWATFGF-HXUWFJFHSA-N 1 0 397.519 3.099 50 0 GGAARO CCc1oc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1C[NH+]1CCCC1 ZINC000020998666 210373273 /nfs/dbraw/zinc/37/32/73/210373273.db2.gz VVFMVZAZXNKWKY-UHFFFAOYSA-N 1 0 383.492 3.106 50 0 GGAARO Cc1cc(C)n(-c2cccc(CN3CC[N@@H+](CCC(C)C)[C@@H](CCO)C3)c2)n1 ZINC000020997477 210373106 /nfs/dbraw/zinc/37/31/06/210373106.db2.gz MGOXNRJSKINXKB-QHCPKHFHSA-N 1 0 384.568 3.404 50 0 GGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000020997401 210372654 /nfs/dbraw/zinc/37/26/54/210372654.db2.gz QGSRJMHPCJCUMT-QGZVFWFLSA-N 1 0 397.466 3.027 50 0 GGAARO C[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccc(Cl)cc21 ZINC000020992123 210372038 /nfs/dbraw/zinc/37/20/38/210372038.db2.gz WFSUOFVOZBYOPV-CQSZACIVSA-N 1 0 397.910 3.455 50 0 GGAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1ccccc1 ZINC000020914205 210369817 /nfs/dbraw/zinc/36/98/17/210369817.db2.gz NLBDEHFBEXFIAX-QFIPXVFZSA-N 1 0 397.538 3.363 50 0 GGAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1C ZINC000020915315 210368455 /nfs/dbraw/zinc/36/84/55/210368455.db2.gz CFZJHOZLSSVJQT-UHFFFAOYSA-N 1 0 390.491 3.130 50 0 GGAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCc1ccncc1 ZINC000020905771 210368153 /nfs/dbraw/zinc/36/81/53/210368153.db2.gz PQMRCJXBPXATSG-UHFFFAOYSA-N 1 0 391.519 3.386 50 0 GGAARO Fc1ccc2[nH]c(CN3CCC[C@H]([NH+]4CCN(c5ccccc5)CC4)C3)nc2c1 ZINC000020905472 210367804 /nfs/dbraw/zinc/36/78/04/210367804.db2.gz QICNJFGOGDKNPL-FQEVSTJZSA-N 1 0 393.510 3.489 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CN1CCn2c3ccc(NC(=O)CC(C)C)cc3nc2C1 ZINC000020678090 210356149 /nfs/dbraw/zinc/35/61/49/210356149.db2.gz VBUVYDNALFOKGK-GOSISDBHSA-N 1 0 383.540 3.321 50 0 GGAARO Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000020858002 210364877 /nfs/dbraw/zinc/36/48/77/210364877.db2.gz SLFMSQGVJRUPSN-MRXNPFEDSA-N 1 0 391.462 3.472 50 0 GGAARO Cc1cc(C)n(Cc2cccc(C[NH+]3CCC(O)(c4ccccn4)CC3)c2)n1 ZINC000020854565 210362429 /nfs/dbraw/zinc/36/24/29/210362429.db2.gz RHRNTIJFQATPHW-UHFFFAOYSA-N 1 0 376.504 3.427 50 0 GGAARO OCC1CCN([C@@H]2CCC[N@@H+](C3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000020785019 210360584 /nfs/dbraw/zinc/36/05/84/210360584.db2.gz XDSZCPJAZFTUDJ-JOCHJYFZSA-N 1 0 391.987 3.478 50 0 GGAARO COc1ccc2c(ccn2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020745060 210359924 /nfs/dbraw/zinc/35/99/24/210359924.db2.gz NQIQFOHPAOCHIK-UHFFFAOYSA-N 1 0 377.488 3.431 50 0 GGAARO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000020598604 210349811 /nfs/dbraw/zinc/34/98/11/210349811.db2.gz USXPQIABTMHANO-MRXNPFEDSA-N 1 0 393.491 3.037 50 0 GGAARO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000020540245 210346799 /nfs/dbraw/zinc/34/67/99/210346799.db2.gz SIIQZFJLLXWCKO-HXUWFJFHSA-N 1 0 384.568 3.207 50 0 GGAARO OCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020539386 210346857 /nfs/dbraw/zinc/34/68/57/210346857.db2.gz DNOWFYJRSXIDCA-LJQANCHMSA-N 1 0 389.927 3.212 50 0 GGAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020543148 210346538 /nfs/dbraw/zinc/34/65/38/210346538.db2.gz VABSPAUUJAWYSA-QGZVFWFLSA-N 1 0 397.485 3.472 50 0 GGAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1cccs1 ZINC000020541597 210346455 /nfs/dbraw/zinc/34/64/55/210346455.db2.gz LARXACMFEMROEM-OAQYLSRUSA-N 1 0 385.577 3.286 50 0 GGAARO CC[NH+]1CCN(CCc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 ZINC000020518506 210344273 /nfs/dbraw/zinc/34/42/73/210344273.db2.gz WEONMLYERLDZGR-UHFFFAOYSA-N 1 0 391.519 3.006 50 0 GGAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1ccco1 ZINC000020509570 210343204 /nfs/dbraw/zinc/34/32/04/210343204.db2.gz ZGSWQSAGSPNNFO-UHFFFAOYSA-N 1 0 389.499 3.303 50 0 GGAARO Cc1nn(C)cc1-c1ccnc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000020455784 210337245 /nfs/dbraw/zinc/33/72/45/210337245.db2.gz JKRFLUQQZKUQLW-UHFFFAOYSA-N 1 0 388.519 3.213 50 0 GGAARO Cn1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000020454067 210336507 /nfs/dbraw/zinc/33/65/07/210336507.db2.gz YWVOIDLITDZIKP-QHCPKHFHSA-N 1 0 390.531 3.156 50 0 GGAARO CCOc1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000020539854 210345081 /nfs/dbraw/zinc/34/50/81/210345081.db2.gz WJVPAXUDLBPLFM-NRFANRHFSA-N 1 0 384.520 3.163 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020535259 210345182 /nfs/dbraw/zinc/34/51/82/210345182.db2.gz UUXHVCWRNRBPRJ-IBGZPJMESA-N 1 0 382.533 3.069 50 0 GGAARO O=C(OCC(F)(F)F)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000020404852 210330648 /nfs/dbraw/zinc/33/06/48/210330648.db2.gz XGQUWQDQDHCION-UHFFFAOYSA-N 1 0 379.382 3.123 50 0 GGAARO COC(=O)c1ccc(N2CC[NH2+]CC2)c(NC(=O)c2ccc(C)cc2Cl)c1 ZINC000020357103 210329210 /nfs/dbraw/zinc/32/92/10/210329210.db2.gz JKGYMBGCVWJNBT-UHFFFAOYSA-N 1 0 387.867 3.097 50 0 GGAARO Cc1cccc(N2CCC([NH+]3CCC(n4cc(C[C@H](C)O)nn4)CC3)CC2)c1C ZINC000020325345 210329091 /nfs/dbraw/zinc/32/90/91/210329091.db2.gz UDPUSVGCEGVDIG-SFHVURJKSA-N 1 0 397.567 3.124 50 0 GGAARO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000020234449 210324512 /nfs/dbraw/zinc/32/45/12/210324512.db2.gz ZZICZQJNEFVAPE-QHCPKHFHSA-N 1 0 382.552 3.382 50 0 GGAARO CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)C[C@@H]1CCCC[N@@H+]1C ZINC000020256822 210323894 /nfs/dbraw/zinc/32/38/94/210323894.db2.gz QOKZDOIUPDKVSR-SFHVURJKSA-N 1 0 385.556 3.123 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3cc(C)ccc3C)C[C@@H]2CCO)cc(OC)c1 ZINC000020451708 210335689 /nfs/dbraw/zinc/33/56/89/210335689.db2.gz BWWQRURGYWIFOY-QFIPXVFZSA-N 1 0 398.547 3.389 50 0 GGAARO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(C)n1 ZINC000020451640 210335375 /nfs/dbraw/zinc/33/53/75/210335375.db2.gz MAAPUPYRXDUPSU-HXUWFJFHSA-N 1 0 385.531 3.137 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)CC1 ZINC000020418593 210332927 /nfs/dbraw/zinc/33/29/27/210332927.db2.gz SAIYTMOPMHWBAE-SFHVURJKSA-N 1 0 397.966 3.221 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)c1 ZINC000020406360 210332313 /nfs/dbraw/zinc/33/23/13/210332313.db2.gz ZJHWCVJMSCDXSC-QFIPXVFZSA-N 1 0 391.515 3.312 50 0 GGAARO COc1cccc(CN2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C[C@@H]2CCO)c1 ZINC000020166660 210322605 /nfs/dbraw/zinc/32/26/05/210322605.db2.gz XZJQZDDKCDBXGR-OAQUMOLUSA-N 1 0 384.564 3.389 50 0 GGAARO CCn1ncc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1C ZINC000020211336 210321986 /nfs/dbraw/zinc/32/19/86/210321986.db2.gz YRLVRAXSLRHZKR-OAQYLSRUSA-N 1 0 397.567 3.007 50 0 GGAARO O[C@H]1[C@H](n2ccnc2)c2ccccc2C12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000020203127 210321747 /nfs/dbraw/zinc/32/17/47/210321747.db2.gz KRZLZPFBIDYHAK-IDZOVPKWSA-N 1 0 375.472 3.487 50 0 GGAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)CC1 ZINC000020205950 210320788 /nfs/dbraw/zinc/32/07/88/210320788.db2.gz XPOUMCADEJUKLY-HXUWFJFHSA-N 1 0 378.520 3.243 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(C(C)=O)s1 ZINC000020206835 210320625 /nfs/dbraw/zinc/32/06/25/210320625.db2.gz DAYQMWYPHGTXQB-UHFFFAOYSA-N 1 0 391.581 3.219 50 0 GGAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020119160 210318638 /nfs/dbraw/zinc/31/86/38/210318638.db2.gz GYSKJOBAEUVLQH-MRXNPFEDSA-N 1 0 383.458 3.476 50 0 GGAARO Cc1ncsc1CCC[NH2+]Cc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000020119813 210318281 /nfs/dbraw/zinc/31/82/81/210318281.db2.gz RTBLXBFMQFPKPW-UHFFFAOYSA-N 1 0 383.521 3.058 50 0 GGAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(c2ccccc2)CC1 ZINC000020100495 210316418 /nfs/dbraw/zinc/31/64/18/210316418.db2.gz YIAGFKDZFFHXMZ-UHFFFAOYSA-N 1 0 381.495 3.387 50 0 GGAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000020100534 210315429 /nfs/dbraw/zinc/31/54/29/210315429.db2.gz LFWDHUPRRLWZQY-UHFFFAOYSA-N 1 0 382.504 3.275 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccc(C)cc2)c1=N ZINC000020064473 210314807 /nfs/dbraw/zinc/31/48/07/210314807.db2.gz CHJWOVMZNMBIBB-IBGZPJMESA-N 1 0 396.535 3.012 50 0 GGAARO CS(=O)(=O)c1ccc(-c2cccc(-c3ccn(C[C@H]4CC[NH2+]C4)n3)c2)cc1 ZINC000019885332 210303872 /nfs/dbraw/zinc/30/38/72/210303872.db2.gz KREVXRXKNRPZTN-INIZCTEOSA-N 1 0 381.501 3.230 50 0 GGAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]Cc1ccncc1)CC2 ZINC000019839754 210302165 /nfs/dbraw/zinc/30/21/65/210302165.db2.gz RWLVWCVJBWHCOU-IBGZPJMESA-N 1 0 395.551 3.207 50 0 GGAARO COc1cccc(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019841524 210301667 /nfs/dbraw/zinc/30/16/67/210301667.db2.gz YPLSGSOAWSAZAP-RMKNXTFCSA-N 1 0 379.504 3.355 50 0 GGAARO CC[NH+]1CCN(CCc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 ZINC000019828471 210300865 /nfs/dbraw/zinc/30/08/65/210300865.db2.gz VWHCCINYUAODRO-UHFFFAOYSA-N 1 0 397.567 3.272 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1CC1CCCCC1 ZINC000019800531 210298387 /nfs/dbraw/zinc/29/83/87/210298387.db2.gz FZYTYLHOODBRJN-OAQYLSRUSA-N 1 0 382.552 3.321 50 0 GGAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000019800402 210298135 /nfs/dbraw/zinc/29/81/35/210298135.db2.gz IAPOTTMVOZVGLR-QFIPXVFZSA-N 1 0 377.532 3.437 50 0 GGAARO OCC[C@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000019792798 210297893 /nfs/dbraw/zinc/29/78/93/210297893.db2.gz WFKPEXMWZVRGFF-NRFANRHFSA-N 1 0 394.494 3.080 50 0 GGAARO CC(C)[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000019792974 210297906 /nfs/dbraw/zinc/29/79/06/210297906.db2.gz RSOONGZBCYTOSN-FQEVSTJZSA-N 1 0 380.488 3.490 50 0 GGAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000019872254 210304119 /nfs/dbraw/zinc/30/41/19/210304119.db2.gz KKOFVAHMYILNAN-UHFFFAOYSA-N 1 0 390.911 3.349 50 0 GGAARO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000019770695 210295760 /nfs/dbraw/zinc/29/57/60/210295760.db2.gz DMCSYLBTIDPSBK-NRFANRHFSA-N 1 0 392.547 3.433 50 0 GGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1C ZINC000019782201 210295578 /nfs/dbraw/zinc/29/55/78/210295578.db2.gz RDBSBVOLNRIKGC-QFIPXVFZSA-N 1 0 381.568 3.306 50 0 GGAARO Fc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000019758913 210293021 /nfs/dbraw/zinc/29/30/21/210293021.db2.gz CURVGSWNCGULHT-NRFANRHFSA-N 1 0 397.494 3.341 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CC[N@@H+]1C1CCCC1 ZINC000019732649 210292003 /nfs/dbraw/zinc/29/20/03/210292003.db2.gz DUDYKAJLAPNPQZ-HXUWFJFHSA-N 1 0 388.943 3.337 50 0 GGAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000019745994 210291554 /nfs/dbraw/zinc/29/15/54/210291554.db2.gz JMPNTTWEWDVZEY-CQSZACIVSA-N 1 0 379.407 3.088 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCc2nc(-c3cccnc3)no2)c(F)c1 ZINC000019743264 210291598 /nfs/dbraw/zinc/29/15/98/210291598.db2.gz WPJVOBGKMQDFRM-UHFFFAOYSA-N 1 0 394.410 3.002 50 0 GGAARO CC(=O)Nc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1 ZINC000019740506 210291253 /nfs/dbraw/zinc/29/12/53/210291253.db2.gz YCUDBWCXPLYGTP-QHCPKHFHSA-N 1 0 381.520 3.022 50 0 GGAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1)N1CCSCC1 ZINC000011821886 221129784 /nfs/dbraw/zinc/12/97/84/221129784.db2.gz ZMOCFJNOEDEREW-UHFFFAOYSA-N 1 0 397.544 3.314 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)[nH]c1 ZINC000011840662 221130336 /nfs/dbraw/zinc/13/03/36/221130336.db2.gz JVOKLVRBPSTAAT-QGZVFWFLSA-N 1 0 387.911 3.467 50 0 GGAARO CCCc1cc(CNC(=O)c2ccc(N3CCC([C@@H](C)[NH+](C)C)CC3)nc2)on1 ZINC000011843165 221131899 /nfs/dbraw/zinc/13/18/99/221131899.db2.gz ZEHTXSYTOUYBOZ-MRXNPFEDSA-N 1 0 399.539 3.119 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCC1 ZINC000011873877 221133470 /nfs/dbraw/zinc/13/34/70/221133470.db2.gz QLCCMDYIWZBANX-QGZVFWFLSA-N 1 0 382.508 3.131 50 0 GGAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000011934179 221137635 /nfs/dbraw/zinc/13/76/35/221137635.db2.gz XUFIMCAWMOXPMJ-UHFFFAOYSA-N 1 0 394.943 3.396 50 0 GGAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000011935015 221139600 /nfs/dbraw/zinc/13/96/00/221139600.db2.gz QMIVORYJRPHTRD-SFHVURJKSA-N 1 0 375.476 3.426 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000012717736 221221744 /nfs/dbraw/zinc/22/17/44/221221744.db2.gz HBGMRJSFHWVKAE-CQSZACIVSA-N 1 0 397.397 3.487 50 0 GGAARO COc1ccc(CCNC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000409414503 533482858 /nfs/dbraw/zinc/48/28/58/533482858.db2.gz SWKKWGSDOPDQIW-RBUKOAKNSA-N 1 0 389.540 3.152 50 0 biogenic GGAARO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)cc1 ZINC000426397670 533558848 /nfs/dbraw/zinc/55/88/48/533558848.db2.gz YLMZYBDGAFDJJK-IBGZPJMESA-N 1 0 383.540 3.189 50 0 GGAARO Cc1ccc(C(N)=O)c(N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000426518818 533643876 /nfs/dbraw/zinc/64/38/76/533643876.db2.gz QIBJLQNBQNJPAL-DEOSSOPVSA-N 1 0 392.547 3.414 50 0 GGAARO Cc1ccc(C(N)=O)cc1-c1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000426661919 533645602 /nfs/dbraw/zinc/64/56/02/533645602.db2.gz BKQUANXWUKDGGF-UHFFFAOYSA-N 1 0 379.504 3.365 50 0 GGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000039537158 132391653 /nfs/dbraw/zinc/39/16/53/132391653.db2.gz SSBXZXNBNXIHBM-GOSISDBHSA-N 1 0 380.471 3.177 50 0 GGAARO Cc1cccc(Cc2c(C)nc(N3CC[NH+](Cc4ccccc4)CC3)[nH]c2=O)c1 ZINC000054253840 132441979 /nfs/dbraw/zinc/44/19/79/132441979.db2.gz PKRMPWCHYMOMRV-UHFFFAOYSA-N 1 0 388.515 3.300 50 0 GGAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1F ZINC000039358021 136153691 /nfs/dbraw/zinc/15/36/91/136153691.db2.gz YKZYITYJODBZAE-HSZRJFAPSA-N 1 0 397.538 3.363 50 0 GGAARO O[C@]12CCCC[C@H]1C[N@@H+](C1CCN(c3ccc(-n4cccn4)cc3)CC1)CC2 ZINC000063872346 136156517 /nfs/dbraw/zinc/15/65/17/136156517.db2.gz NLNFDEYTBYCHIW-CVDCTZTESA-N 1 0 380.536 3.468 50 0 GGAARO c1cn(-c2ccc(N3CCC([NH2+]C[C@@H]4COc5ccccc5O4)CC3)cc2)cn1 ZINC000063872110 136156552 /nfs/dbraw/zinc/15/65/52/136156552.db2.gz NZYSHJAALNXONO-OAQYLSRUSA-N 1 0 390.487 3.271 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799717 136157626 /nfs/dbraw/zinc/15/76/26/136157626.db2.gz BJGBCMJYFYKSJB-UHFFFAOYSA-N 1 0 385.899 3.001 50 0 GGAARO CCc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000064799798 136157694 /nfs/dbraw/zinc/15/76/94/136157694.db2.gz WQPCFHBDTJBIMS-UHFFFAOYSA-N 1 0 393.535 3.300 50 0 GGAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065363324 136163573 /nfs/dbraw/zinc/16/35/73/136163573.db2.gz JGOZOVQQTYZLNL-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO CCNc1nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(C)[nH+]1 ZINC000065363925 136163578 /nfs/dbraw/zinc/16/35/78/136163578.db2.gz GPKSXHGSQLBYEG-UHFFFAOYSA-N 1 0 393.413 3.198 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3ncnc(C)c3C)C2)cc1OC ZINC000072174106 136167445 /nfs/dbraw/zinc/16/74/45/136167445.db2.gz OUJUZJIPFBABTC-IBGZPJMESA-N 1 0 384.524 3.254 50 0 GGAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)nc2cc(F)ccc12 ZINC000072408281 136169510 /nfs/dbraw/zinc/16/95/10/136169510.db2.gz QLKNAPRHCIQVDN-QHCPKHFHSA-N 1 0 398.526 3.453 50 0 GGAARO OCC[C@H]1CN(c2cccc(C(F)(F)F)n2)CC[N@@H+]1CCc1ccccc1 ZINC000072410410 136169731 /nfs/dbraw/zinc/16/97/31/136169731.db2.gz IGPKWRDETKPSOW-KRWDZBQOSA-N 1 0 379.426 3.216 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3nc(C)cnc3C)C2)cc1OC ZINC000072429449 136170118 /nfs/dbraw/zinc/17/01/18/136170118.db2.gz FRQCKUJAHNTKJN-IBGZPJMESA-N 1 0 384.524 3.254 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3nc(C)cnc3C)C2)cc1OC ZINC000072429450 136170140 /nfs/dbraw/zinc/17/01/40/136170140.db2.gz FRQCKUJAHNTKJN-LJQANCHMSA-N 1 0 384.524 3.254 50 0 GGAARO O=c1oc2ccccc2n1CC[N@@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072429542 136170147 /nfs/dbraw/zinc/17/01/47/136170147.db2.gz IZHFYLIPPLPLQS-UHFFFAOYSA-N 1 0 378.476 3.125 50 0 GGAARO OCC[C@H]1CN(c2cc(C(F)(F)F)ccn2)CC[N@@H+]1CCc1ccccc1 ZINC000072429987 136170157 /nfs/dbraw/zinc/17/01/57/136170157.db2.gz HBIPXHPXLNAGNY-SFHVURJKSA-N 1 0 379.426 3.216 50 0 GGAARO CCOc1ccc(C(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)cc1 ZINC000072441844 136170916 /nfs/dbraw/zinc/17/09/16/136170916.db2.gz YTYPXMJZSHXNAZ-UHFFFAOYSA-N 1 0 383.496 3.016 50 0 GGAARO OCC1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072469831 136171030 /nfs/dbraw/zinc/17/10/30/136171030.db2.gz LANFYVKMJGZDMH-UHFFFAOYSA-N 1 0 386.927 3.008 50 0 GGAARO Cc1ccc(C[N@@H+]2CCN(c3ncccc3C(F)(F)F)C[C@@H]2CCO)cc1 ZINC000072477289 136171241 /nfs/dbraw/zinc/17/12/41/136171241.db2.gz AHOHYXHPWFMQRS-KRWDZBQOSA-N 1 0 379.426 3.482 50 0 GGAARO c1cc([C@@H]2CCC[N@@H+](Cc3cc4ccccc4nc3N3CCOCC3)C2)n[nH]1 ZINC000077453094 136172196 /nfs/dbraw/zinc/17/21/96/136172196.db2.gz XYDAJKBBFIZGTK-GOSISDBHSA-N 1 0 377.492 3.174 50 0 GGAARO Cc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)nc(N)[nH+]1 ZINC000077515856 136172318 /nfs/dbraw/zinc/17/23/18/136172318.db2.gz CJVVHZXQFPKHRG-UHFFFAOYSA-N 1 0 385.899 3.040 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(C(N)=O)ccn3)CC2)C1 ZINC000091625807 136176865 /nfs/dbraw/zinc/17/68/65/136176865.db2.gz LTFHSQVIGDTUNA-FQEVSTJZSA-N 1 0 378.520 3.277 50 0 GGAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ncccc1Cl)C2 ZINC000095356994 136178134 /nfs/dbraw/zinc/17/81/34/136178134.db2.gz WIDXCDWLDATDFJ-HLIPFELVSA-N 1 0 379.932 3.079 50 0 GGAARO Cc1ncccc1Oc1ncnc(N2CCC([NH2+]Cc3ccon3)CC2)c1C ZINC000095508867 136180545 /nfs/dbraw/zinc/18/05/45/136180545.db2.gz XJCWEHZBXZNBHB-UHFFFAOYSA-N 1 0 380.452 3.027 50 0 GGAARO Cc1ccc2cc(CO)c(N3CC[NH+](CCOc4ccccc4)CC3)nc2c1 ZINC000096151325 136184428 /nfs/dbraw/zinc/18/44/28/136184428.db2.gz DERKSUNGKLBCSF-UHFFFAOYSA-N 1 0 377.488 3.237 50 0 GGAARO O=C(NCc1ccccn1)c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000096152740 136184495 /nfs/dbraw/zinc/18/44/95/136184495.db2.gz YROKMRAKECCDEI-UHFFFAOYSA-N 1 0 388.471 3.454 50 0 GGAARO Cc1ccc(N2CCC([NH+]3CCC(c4nnc(CN(C)C)n4C)CC3)CC2)cc1 ZINC000096166578 136184928 /nfs/dbraw/zinc/18/49/28/136184928.db2.gz CMJGFTPNMAZTMP-UHFFFAOYSA-N 1 0 396.583 3.034 50 0 GGAARO OCC[C@H]1CN(c2ccc(-c3ccccc3)nn2)CC[N@@H+]1Cc1cccs1 ZINC000106950888 136191649 /nfs/dbraw/zinc/19/16/49/136191649.db2.gz UBLFZVNLHFTTBC-SFHVURJKSA-N 1 0 380.517 3.278 50 0 GGAARO OCC[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CC[N@@H+]1C1CCCC1 ZINC000106949870 136191693 /nfs/dbraw/zinc/19/16/93/136191693.db2.gz PWRJCXVBGYLVIG-FQEVSTJZSA-N 1 0 392.547 3.448 50 0 GGAARO COc1c(F)c(F)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(F)c1F ZINC000012651314 136200563 /nfs/dbraw/zinc/20/05/63/136200563.db2.gz UNPGTPBNDHRVFC-UHFFFAOYSA-N 1 0 397.372 3.256 50 0 GGAARO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019811445 136202367 /nfs/dbraw/zinc/20/23/67/136202367.db2.gz BYVSFAAQILCDRA-GOSISDBHSA-N 1 0 391.309 3.011 50 0 GGAARO Cc1ccc2cc(CN3[C@@H]4CC[C@H]3C[N@H+](C)CC4)c(N3CCOCC3)nc2c1 ZINC000215114784 136202872 /nfs/dbraw/zinc/20/28/72/136202872.db2.gz CQXAHKAXHNTLOU-RTWAWAEBSA-N 1 0 380.536 3.048 50 0 GGAARO OCC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021118031 136202911 /nfs/dbraw/zinc/20/29/11/136202911.db2.gz XXHUZSFKCQDYCL-UHFFFAOYSA-N 1 0 399.498 3.202 50 0 GGAARO C[NH+]1CCN(c2ccc(C(=O)NCCc3nc4ccccc4s3)cc2)CC1 ZINC000223546537 136205852 /nfs/dbraw/zinc/20/58/52/136205852.db2.gz VTJLMUDOVIDIMX-UHFFFAOYSA-N 1 0 380.517 3.021 50 0 GGAARO Cn1nccc1C(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000067588290 222150150 /nfs/dbraw/zinc/15/01/50/222150150.db2.gz HFQDBWKFKRQSBW-UHFFFAOYSA-N 1 0 381.524 3.112 50 0 GGAARO Cc1nc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)cc(N(C)C)[nH+]1 ZINC000067601746 222150459 /nfs/dbraw/zinc/15/04/59/222150459.db2.gz LTXNYAAMWVIHOY-UHFFFAOYSA-N 1 0 390.491 3.358 50 0 GGAARO COc1cccc([C@@H](C)NC(=O)N(C)CC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000426510326 533706448 /nfs/dbraw/zinc/70/64/48/533706448.db2.gz YSQZUYBBSCONJM-GOSISDBHSA-N 1 0 389.540 3.433 50 0 GGAARO COC(=O)c1cccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC000426740675 534263119 /nfs/dbraw/zinc/26/31/19/534263119.db2.gz YKMRRDLSWJKTNH-FQEVSTJZSA-N 1 0 378.472 3.112 50 0 GGAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)N[C@H](CO)c1ccc(F)cc1 ZINC000426563138 534324663 /nfs/dbraw/zinc/32/46/63/534324663.db2.gz CTSGTTDNUVBNFI-OAQYLSRUSA-N 1 0 385.483 3.038 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000019219864 522381848 /nfs/dbraw/zinc/38/18/48/522381848.db2.gz SOTKKOZVNRZPQT-QFIPXVFZSA-N 1 0 398.547 3.389 50 0 GGAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCN(c2cccnc2)CC1 ZINC000426372237 534810999 /nfs/dbraw/zinc/81/09/99/534810999.db2.gz MDOBYMZEEFJXSX-UHFFFAOYSA-N 1 0 385.556 3.102 50 0 GGAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000000819332 526303641 /nfs/dbraw/zinc/30/36/41/526303641.db2.gz XPHDUWXPWVKXMQ-UHFFFAOYSA-N 1 0 381.495 3.387 50 0 GGAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCc2ccccc2C1 ZINC000079497386 527054936 /nfs/dbraw/zinc/05/49/36/527054936.db2.gz DPKQUILDFYCIAL-UHFFFAOYSA-N 1 0 381.520 3.025 50 0 GGAARO CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000409414876 527085282 /nfs/dbraw/zinc/08/52/82/527085282.db2.gz QEFGUFBVHIFRAP-UHFFFAOYSA-N 1 0 394.475 3.179 50 0 GGAARO CC(C)C[N@@H+]1CCCC[C@@H]1CCNC(=O)N(C)Cc1[nH]nc2c1CCCC2 ZINC000426661184 527962572 /nfs/dbraw/zinc/96/25/72/527962572.db2.gz GFMWDVIWZWAHTI-QGZVFWFLSA-N 1 0 375.561 3.331 50 0 GGAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccsc3C(N)=O)c2)C1 ZINC000426518361 528021757 /nfs/dbraw/zinc/02/17/57/528021757.db2.gz RQTMUPQONWBVFK-HNNXBMFYSA-N 1 0 385.533 3.222 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)cc1 ZINC000426526315 528092072 /nfs/dbraw/zinc/09/20/72/528092072.db2.gz WLUOTPZVDHINJF-HSZRJFAPSA-N 1 0 393.535 3.191 50 0 GGAARO CCCNC(=O)c1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000426728181 528442975 /nfs/dbraw/zinc/44/29/75/528442975.db2.gz FASOOUUTYCQSLD-IBGZPJMESA-N 1 0 378.904 3.087 50 0 GGAARO CCCNC(=O)c1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000426728183 528443356 /nfs/dbraw/zinc/44/33/56/528443356.db2.gz FASOOUUTYCQSLD-LJQANCHMSA-N 1 0 378.904 3.087 50 0 GGAARO CC(C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000426423681 528797175 /nfs/dbraw/zinc/79/71/75/528797175.db2.gz PKLMYWPLKVIYDK-OAQYLSRUSA-N 1 0 379.495 3.120 50 0 GGAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)C1 ZINC000426442775 529058019 /nfs/dbraw/zinc/05/80/19/529058019.db2.gz YNZHRLTZKLISKR-FQEVSTJZSA-N 1 0 382.508 3.229 50 0 GGAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)C1 ZINC000426442776 529072457 /nfs/dbraw/zinc/07/24/57/529072457.db2.gz YNZHRLTZKLISKR-HXUWFJFHSA-N 1 0 382.508 3.229 50 0 GGAARO CCC[NH+]1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)CC1 ZINC000072478368 534928512 /nfs/dbraw/zinc/92/85/12/534928512.db2.gz AXZHNJQYWBLZQQ-NRFANRHFSA-N 1 0 382.552 3.032 50 0 GGAARO CC(C)Oc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011853279 534978697 /nfs/dbraw/zinc/97/86/97/534978697.db2.gz OBUWJSAPKMGILI-UHFFFAOYSA-N 1 0 381.520 3.416 50 0 GGAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@H](OCc3cccnc3)C2)CC1 ZINC000095528781 535444218 /nfs/dbraw/zinc/44/42/18/535444218.db2.gz VITHUBPRCZQEHG-QFIPXVFZSA-N 1 0 395.551 3.474 50 0 GGAARO CCn1ncnc1[C@@H](C)[NH2+]C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000095505633 535909728 /nfs/dbraw/zinc/90/97/28/535909728.db2.gz UEJUXODBRBWDNZ-CYBMUJFWSA-N 1 0 385.541 3.239 50 0 GGAARO CCc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000064800099 535953451 /nfs/dbraw/zinc/95/34/51/535953451.db2.gz SVYJEZPGZMHDTD-UHFFFAOYSA-N 1 0 394.523 3.302 50 0 GGAARO CCc1ccccc1NC(=O)N1CCN(c2cc(-n3cccc3)nc(C)[nH+]2)CC1 ZINC000090607874 535954124 /nfs/dbraw/zinc/95/41/24/535954124.db2.gz BTKFTKCMKNCILG-UHFFFAOYSA-N 1 0 390.491 3.492 50 0 GGAARO C[NH+](C)Cc1ccc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)nc1 ZINC000095500995 536013403 /nfs/dbraw/zinc/01/34/03/536013403.db2.gz LIKHLKYRJJFLOX-IBGZPJMESA-N 1 0 376.508 3.167 50 0 GGAARO C[NH+](C)Cc1ccc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)nc1 ZINC000091254859 536013573 /nfs/dbraw/zinc/01/35/73/536013573.db2.gz ONOBTPHHNTZAQT-FQEVSTJZSA-N 1 0 376.508 3.167 50 0 GGAARO COc1ccc(-c2cnc(N3CC[NH+](C)CC3)nc2-c2ccc(C)cc2)cn1 ZINC000065376140 536497481 /nfs/dbraw/zinc/49/74/81/536497481.db2.gz QPRUPPDAIAYLPW-UHFFFAOYSA-N 1 0 375.476 3.274 50 0 GGAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000067675917 537070874 /nfs/dbraw/zinc/07/08/74/537070874.db2.gz XDWATMRGXYAGDI-QFIPXVFZSA-N 1 0 391.559 3.449 50 0 GGAARO C[NH+]1CCC(n2nc(-c3c4ccccn4nc3-c3ccccc3)ccc2=O)CC1 ZINC000001488077 560180682 /nfs/dbraw/zinc/18/06/82/560180682.db2.gz YHDRUTMZCJZJAL-UHFFFAOYSA-N 1 0 385.471 3.492 50 0 in-vitro GGAARO O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)N1CC[NH2+]CC1 ZINC000004178468 564201343 /nfs/dbraw/zinc/20/13/43/564201343.db2.gz WRUQAGHWILNPLR-MRXNPFEDSA-N 1 0 389.293 3.109 50 0 GGAARO C[NH+](C)CCC(=O)O[C@H]1CCCC[C@H]1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000004474713 564203331 /nfs/dbraw/zinc/20/33/31/564203331.db2.gz DEJVZAYUUCJCJY-DLBZAZTESA-N 1 0 387.929 3.061 50 0 GGAARO Cc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Br ZINC000004558141 564204021 /nfs/dbraw/zinc/20/40/21/564204021.db2.gz PVRGPYCXMQCKJP-UHFFFAOYSA-N 1 0 396.329 3.121 50 0 GGAARO CC1(C)CC(NC(=O)c2ccc(I)cc2)CC(C)(C)[NH2+]1 ZINC000004704976 564206053 /nfs/dbraw/zinc/20/60/53/564206053.db2.gz IRVIJYXWCOSKCS-UHFFFAOYSA-N 1 0 386.277 3.330 50 0 GGAARO C[NH2+]CCCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000004856196 564208419 /nfs/dbraw/zinc/20/84/19/564208419.db2.gz HFRJBFPKWSLIFZ-UHFFFAOYSA-N 1 0 394.313 3.131 50 0 GGAARO C[NH+](C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000005048278 564211303 /nfs/dbraw/zinc/21/13/03/564211303.db2.gz QFMZUUOHTRBZGR-UHFFFAOYSA-N 1 0 399.292 3.351 50 0 GGAARO COc1cc(C[N@H+](C)CCc2ccccn2)cc(I)c1O ZINC000006714404 564227076 /nfs/dbraw/zinc/22/70/76/564227076.db2.gz QIOGIGIDBMQSAU-UHFFFAOYSA-N 1 0 398.244 3.075 50 0 GGAARO COc1ccc(Cl)cc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000006767727 564227243 /nfs/dbraw/zinc/22/72/43/564227243.db2.gz VNFBAXAHZIKREG-UHFFFAOYSA-N 1 0 375.885 3.206 50 0 GGAARO C[NH+](C)CCCN1C(=S)N=NC1c1cccc(OC(F)(F)C(F)F)c1 ZINC000008485115 564249764 /nfs/dbraw/zinc/24/97/64/564249764.db2.gz KWVRYRVBQWZKQA-UHFFFAOYSA-N 1 0 378.395 3.422 50 0 GGAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OC ZINC000008469836 564249946 /nfs/dbraw/zinc/24/99/46/564249946.db2.gz MQSJMKGUPPMMGK-UHFFFAOYSA-N 1 0 380.238 3.485 50 0 GGAARO OCCOCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000010435687 564258378 /nfs/dbraw/zinc/25/83/78/564258378.db2.gz FUODUWCWYXVLCQ-UHFFFAOYSA-N 1 0 398.272 3.266 50 0 GGAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Br)c1ccc2c(c1)OCO2 ZINC000012196117 564267194 /nfs/dbraw/zinc/26/71/94/564267194.db2.gz FGGLOUOTCNMURZ-OAHLLOKOSA-N 1 0 391.265 3.211 50 0 GGAARO C[C@H]1C[NH+](CCCOc2ccc(I)cc2)C[C@H](C)O1 ZINC000020168182 564305656 /nfs/dbraw/zinc/30/56/56/564305656.db2.gz BCTLSFAOJRATAK-STQMWFEESA-N 1 0 375.250 3.169 50 0 GGAARO O=S(=O)(Cc1cccc(Cl)c1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127701 564322376 /nfs/dbraw/zinc/32/23/76/564322376.db2.gz RRTIFTCQSCVJTE-UHFFFAOYSA-N 1 0 382.913 3.265 50 0 GGAARO CCOC(=O)c1csc(N2[NH2+]C3=C(CCCCC3)[C@]2(O)C(F)(F)F)n1 ZINC000025186032 564336777 /nfs/dbraw/zinc/33/67/77/564336777.db2.gz JUJKOZMSYQVHBS-XPTSAGLGSA-N 1 0 377.388 3.327 50 0 GGAARO Cc1ccc(SCC[N@@H+](C)Cc2ccc(CN(C)S(C)(=O)=O)o2)cc1 ZINC000055343353 564619856 /nfs/dbraw/zinc/61/98/56/564619856.db2.gz DEDLZFRLYQLNHE-UHFFFAOYSA-N 1 0 382.551 3.204 50 0 GGAARO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC000101039269 564914744 /nfs/dbraw/zinc/91/47/44/564914744.db2.gz OYHSTDNSJRIFFV-LSDHHAIUSA-N 1 0 384.318 3.048 50 0 GGAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)c1ccc(SCCO)cc1 ZINC000670433986 566360648 /nfs/dbraw/zinc/36/06/48/566360648.db2.gz WPLWSLNTYWOXTM-UHFFFAOYSA-N 1 0 376.547 3.227 50 0 GGAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(SCCO)cc1 ZINC000670462543 566363205 /nfs/dbraw/zinc/36/32/05/566363205.db2.gz SNCUJEHEXOMHGI-MRXNPFEDSA-N 1 0 376.547 3.227 50 0 GGAARO CN(Cc1ccc2nsnc2c1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000584892447 567077226 /nfs/dbraw/zinc/07/72/26/567077226.db2.gz QJOFZYIJHVUNQQ-OAHLLOKOSA-N 1 0 375.523 3.197 50 0 GGAARO CN(Cc1ccc2nsnc2c1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000584892446 567077762 /nfs/dbraw/zinc/07/77/62/567077762.db2.gz QJOFZYIJHVUNQQ-HNNXBMFYSA-N 1 0 375.523 3.197 50 0 GGAARO COC[C@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1 ZINC000048170776 570219843 /nfs/dbraw/zinc/21/98/43/570219843.db2.gz QGOQPSRGUMBSCE-SFHVURJKSA-N 1 0 390.487 3.357 50 0 GGAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccc(C)cc3)CC2)C1 ZINC000012280379 570230397 /nfs/dbraw/zinc/23/03/97/570230397.db2.gz CCGVSFCIBAFANS-YADHBBJMSA-N 1 0 399.579 3.457 50 0 GGAARO O=C1[C@H]2[C@@H](C=Cc3ccccc3)N3CSC[C@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000247713814 570234043 /nfs/dbraw/zinc/23/40/43/570234043.db2.gz MBXWDSGZEQLRNI-ODDHLKQSSA-N 1 0 376.481 3.263 50 0 GGAARO Cc1nc2ccc(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccco4)C3)cc2nc1C ZINC000097553199 570246231 /nfs/dbraw/zinc/24/62/31/570246231.db2.gz GVCGWJZUFCLSCW-KRWDZBQOSA-N 1 0 378.476 3.482 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC000053274981 570252514 /nfs/dbraw/zinc/25/25/14/570252514.db2.gz SMKICSFSAHPQSE-HNNXBMFYSA-N 1 0 389.521 3.350 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c(OC)c1 ZINC000104331285 570257025 /nfs/dbraw/zinc/25/70/25/570257025.db2.gz NEABBSCGAQOUCJ-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)c(F)c1 ZINC000104346306 570257407 /nfs/dbraw/zinc/25/74/07/570257407.db2.gz LAFVDMZDNKVBLI-LJQANCHMSA-N 1 0 397.494 3.384 50 0 GGAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@H]1CCO ZINC000104382499 570257804 /nfs/dbraw/zinc/25/78/04/570257804.db2.gz BOBNEEVXRCQNAM-HXUWFJFHSA-N 1 0 390.959 3.440 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccccc3Cl)C[C@H]2CCO)CC1 ZINC000104416805 570258465 /nfs/dbraw/zinc/25/84/65/570258465.db2.gz FCQXGZXGMXTCGO-HXUWFJFHSA-N 1 0 379.976 3.081 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104556527 570259791 /nfs/dbraw/zinc/25/97/91/570259791.db2.gz ASOIDWPEIWRAAU-HSZRJFAPSA-N 1 0 390.531 3.454 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1 ZINC000104516771 570259832 /nfs/dbraw/zinc/25/98/32/570259832.db2.gz VKRWFKKSEAFEIS-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000104536545 570259944 /nfs/dbraw/zinc/25/99/44/570259944.db2.gz JJSYPDJFZLCAIU-OAQYLSRUSA-N 1 0 379.976 3.081 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104531133 570259961 /nfs/dbraw/zinc/25/99/61/570259961.db2.gz DCSOOGQEDLCAMH-XMMPIXPASA-N 1 0 390.531 3.250 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cccc4ncccc34)C[C@H]2CCO)c1 ZINC000105902096 570260623 /nfs/dbraw/zinc/26/06/23/570260623.db2.gz IJOIIDVGCWBTMP-OAQYLSRUSA-N 1 0 391.515 3.312 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(c3nc4ccccc4o3)C[C@H]2CCO)cc1C ZINC000106942932 570261279 /nfs/dbraw/zinc/26/12/79/570261279.db2.gz RTIXGVPVPHOJBP-GOSISDBHSA-N 1 0 381.476 3.218 50 0 GGAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N(C)CC[N@H+]3CCCC[C@H]3C)c12 ZINC000106947410 570261298 /nfs/dbraw/zinc/26/12/98/570261298.db2.gz QNVPBHUTYSCGQL-OAHLLOKOSA-N 1 0 379.512 3.044 50 0 GGAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000263937663 570261586 /nfs/dbraw/zinc/26/15/86/570261586.db2.gz FOKRPZGDGUPEMI-HXUWFJFHSA-N 1 0 381.524 3.211 50 0 GGAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000583652797 570262593 /nfs/dbraw/zinc/26/25/93/570262593.db2.gz WTNPVRFIJAZJAH-IFMALSPDSA-N 1 0 388.552 3.367 50 0 biogenic GGAARO COc1ccccc1CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000584901425 570270775 /nfs/dbraw/zinc/27/07/75/570270775.db2.gz QEXUUFYVRURIBV-HXUWFJFHSA-N 1 0 387.524 3.013 50 0 GGAARO CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000011663284 570271661 /nfs/dbraw/zinc/27/16/61/570271661.db2.gz FNTCHLXCTPNTCV-CQSZACIVSA-N 1 0 375.856 3.335 50 0 GGAARO CCOC(=O)c1n[nH]cc1CN1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000011663283 570271691 /nfs/dbraw/zinc/27/16/91/570271691.db2.gz FNTCHLXCTPNTCV-AWEZNQCLSA-N 1 0 375.856 3.335 50 0 GGAARO COCC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000584902350 570271746 /nfs/dbraw/zinc/27/17/46/570271746.db2.gz SSJDCUDBYDUOCD-IBGZPJMESA-N 1 0 377.504 3.391 50 0 GGAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)cc1 ZINC000216071869 570295618 /nfs/dbraw/zinc/29/56/18/570295618.db2.gz WSXSUSYJVSECKQ-HXUWFJFHSA-N 1 0 393.535 3.367 50 0 GGAARO C[N@@H+]1CCCNC(=O)C12CCN(Cc1ccc(SC3CCCCC3)o1)CC2 ZINC000216300773 570298687 /nfs/dbraw/zinc/29/86/87/570298687.db2.gz WYGZWNFFEFPWLB-UHFFFAOYSA-N 1 0 391.581 3.491 50 0 GGAARO COc1ccc([C@H](CNC(=O)COc2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000021911979 570298735 /nfs/dbraw/zinc/29/87/35/570298735.db2.gz FDZDBELRLDFGNA-IBGZPJMESA-N 1 0 384.476 3.036 50 0 GGAARO COc1ccc([C@@H](CNC(=O)COc2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000021911976 570298768 /nfs/dbraw/zinc/29/87/68/570298768.db2.gz FDZDBELRLDFGNA-LJQANCHMSA-N 1 0 384.476 3.036 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1Cn1cncn1 ZINC000012300947 570298980 /nfs/dbraw/zinc/29/89/80/570298980.db2.gz VLRCFPWRZFVFID-OAQYLSRUSA-N 1 0 377.492 3.412 50 0 GGAARO Cc1cc(C)n(C[C@@H](C)[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)n1 ZINC000011668227 570302710 /nfs/dbraw/zinc/30/27/10/570302710.db2.gz DDEOLYQPACLTEV-LJQANCHMSA-N 1 0 383.540 3.092 50 0 GGAARO Cc1cc(C)n(C[C@H](C)[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)n1 ZINC000011668228 570302713 /nfs/dbraw/zinc/30/27/13/570302713.db2.gz DDEOLYQPACLTEV-IBGZPJMESA-N 1 0 383.540 3.092 50 0 GGAARO Cc1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)c(C)c1 ZINC000021695937 570305974 /nfs/dbraw/zinc/30/59/74/570305974.db2.gz YABFAKUPXCKUFJ-FQEVSTJZSA-N 1 0 385.533 3.376 50 0 GGAARO Cn1cc([C@H](CNS(=O)(=O)c2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000021696004 570305996 /nfs/dbraw/zinc/30/59/96/570305996.db2.gz KDEMAGFMCOFIIH-SFHVURJKSA-N 1 0 391.924 3.413 50 0 GGAARO C[N@@H+]1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107409304 570309517 /nfs/dbraw/zinc/30/95/17/570309517.db2.gz YDKDYXPOCNICFF-OAQYLSRUSA-N 1 0 387.911 3.386 50 0 GGAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000108402828 570312804 /nfs/dbraw/zinc/31/28/04/570312804.db2.gz VSQHACNOKPMMLC-IBGZPJMESA-N 1 0 377.492 3.202 50 0 GGAARO c1[nH]c2ccccc2c1CC[NH2+]C1(c2nnnn2Cc2cccnc2)CCCC1 ZINC000575443565 570314488 /nfs/dbraw/zinc/31/44/88/570314488.db2.gz CZBCFNVJJFFBRY-UHFFFAOYSA-N 1 0 387.491 3.199 50 0 GGAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1nnnn1C12CC3CC(CC(C3)C1)C2 ZINC000575443872 570314787 /nfs/dbraw/zinc/31/47/87/570314787.db2.gz PHRNQUBVHUYLDO-UHFFFAOYSA-N 1 0 376.508 3.412 50 0 GGAARO OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@@H+]1CCc1ccccc1 ZINC000022851257 570330838 /nfs/dbraw/zinc/33/08/38/570330838.db2.gz ZDYGXPUHPZKTTE-QFIPXVFZSA-N 1 0 393.506 3.485 50 0 GGAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000022851612 570331293 /nfs/dbraw/zinc/33/12/93/570331293.db2.gz NMAXAULVVUDLLX-FQEVSTJZSA-N 1 0 381.520 3.187 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cnc(-c3ccccc3C)nc2)C[C@H]1CCO ZINC000022853596 570331521 /nfs/dbraw/zinc/33/15/21/570331521.db2.gz RLMWQLPGOHGWFE-OAQYLSRUSA-N 1 0 380.536 3.287 50 0 GGAARO COc1cc(Cl)cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c1OC ZINC000022913014 570334042 /nfs/dbraw/zinc/33/40/42/570334042.db2.gz WSEGRYUGOUBQDG-KRWDZBQOSA-N 1 0 384.948 3.272 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)CC1 ZINC000022919927 570335683 /nfs/dbraw/zinc/33/56/83/570335683.db2.gz FCQXGZXGMXTCGO-FQEVSTJZSA-N 1 0 379.976 3.081 50 0 GGAARO CN(Cc1cccn1-c1ncccn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000022920166 570335814 /nfs/dbraw/zinc/33/58/14/570335814.db2.gz CMRLMORYEOVGIH-OAQYLSRUSA-N 1 0 375.520 3.406 50 0 GGAARO OCC[C@@H]1CN(Cc2nc3ccccc3s2)CC[N@@H+]1CCc1ccccc1 ZINC000022932653 570337775 /nfs/dbraw/zinc/33/77/75/570337775.db2.gz UYHFVVCXAMAYKW-LJQANCHMSA-N 1 0 381.545 3.408 50 0 GGAARO Cc1cc(C)cc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035349318 570343501 /nfs/dbraw/zinc/34/35/01/570343501.db2.gz YTDQBTTWYOXKGF-QFIPXVFZSA-N 1 0 391.515 3.195 50 0 GGAARO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2cc1C ZINC000023127128 570345201 /nfs/dbraw/zinc/34/52/01/570345201.db2.gz HIMWYTDPPNFTCN-AEFFLSMTSA-N 1 0 376.456 3.191 50 0 biogenic GGAARO Cc1cc(C)c2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000023127130 570345436 /nfs/dbraw/zinc/34/54/36/570345436.db2.gz UXEGYJSAUDZRFM-AEFFLSMTSA-N 1 0 376.456 3.191 50 0 biogenic GGAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023211762 570350046 /nfs/dbraw/zinc/35/00/46/570350046.db2.gz XIYHBMHOAFOIMA-LJQANCHMSA-N 1 0 378.875 3.349 50 0 GGAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCCc1csc(-c2cccnc2)n1 ZINC000219285780 570351197 /nfs/dbraw/zinc/35/11/97/570351197.db2.gz HYXZSJVGJIUPAM-LJQANCHMSA-N 1 0 392.528 3.353 50 0 GGAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+][C@H](C)Cc1cccnc1 ZINC000023338136 570354931 /nfs/dbraw/zinc/35/49/31/570354931.db2.gz CLMCPVOGKDMLQZ-QGZVFWFLSA-N 1 0 379.508 3.322 50 0 GGAARO CSc1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000023360008 570356767 /nfs/dbraw/zinc/35/67/67/570356767.db2.gz AHWZDAZJYKFEJA-NRFANRHFSA-N 1 0 391.625 3.150 50 0 GGAARO Cn1cc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023372878 570357625 /nfs/dbraw/zinc/35/76/25/570357625.db2.gz IXKKLYHPLIYFLU-QFIPXVFZSA-N 1 0 382.552 3.288 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000023373250 570357636 /nfs/dbraw/zinc/35/76/36/570357636.db2.gz DCSOOGQEDLCAMH-DEOSSOPVSA-N 1 0 390.531 3.250 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cc(OC)c1 ZINC000023373559 570357846 /nfs/dbraw/zinc/35/78/46/570357846.db2.gz LMQYPOFINDJNOL-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000023374943 570358310 /nfs/dbraw/zinc/35/83/10/570358310.db2.gz KRDNKEQXJDRMJE-HQMUEHRGSA-N 1 0 375.488 3.077 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)c(C)c1C ZINC000023375293 570358885 /nfs/dbraw/zinc/35/88/85/570358885.db2.gz RJKXEBVMISEJOE-NRFANRHFSA-N 1 0 384.520 3.086 50 0 GGAARO COc1ccccc1N1CCN(C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000004140870 570359310 /nfs/dbraw/zinc/35/93/10/570359310.db2.gz YDPTYMYWKPPRFW-HKBOAZHASA-N 1 0 381.564 3.494 50 0 GGAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000004177176 570361239 /nfs/dbraw/zinc/36/12/39/570361239.db2.gz BXGOTBABQFFIJD-QGZVFWFLSA-N 1 0 390.524 3.327 50 0 GGAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000023478224 570363213 /nfs/dbraw/zinc/36/32/13/570363213.db2.gz RYVJPJWDZBPUJO-IBGZPJMESA-N 1 0 397.544 3.360 50 0 GGAARO O[C@H](C[NH2+]CCNc1ccc(C(F)(F)F)cn1)CSc1ccc(F)cc1 ZINC000004299479 570366216 /nfs/dbraw/zinc/36/62/16/570366216.db2.gz RJXGSUDPEJLDNL-CQSZACIVSA-N 1 0 389.418 3.394 50 0 GGAARO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000004336201 570369266 /nfs/dbraw/zinc/36/92/66/570369266.db2.gz FMKZPYAVQWBLSF-OAQYLSRUSA-N 1 0 389.499 3.347 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000004337835 570369292 /nfs/dbraw/zinc/36/92/92/570369292.db2.gz UNOFGZHORLATQC-LJQANCHMSA-N 1 0 380.419 3.429 50 0 GGAARO Cc1nn(C(F)F)c(C)c1C(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000004396493 570373842 /nfs/dbraw/zinc/37/38/42/570373842.db2.gz ZRDHWIXGPVBTPO-UHFFFAOYSA-N 1 0 392.494 3.478 50 0 GGAARO O=C(NC1CCCCC1)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035485371 570374534 /nfs/dbraw/zinc/37/45/34/570374534.db2.gz LBOJVXYZSLQQDI-IRZJEQJZSA-N 1 0 397.563 3.072 50 0 GGAARO COc1cccc2cc(C(=O)NC[C@H](c3ccc4c(c3)CCO4)[NH+](C)C)oc21 ZINC000090607245 570383190 /nfs/dbraw/zinc/38/31/90/570383190.db2.gz PBJYFUUZOPTXDO-QGZVFWFLSA-N 1 0 380.444 3.409 50 0 GGAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccc(-c2cccc(F)c2)cc1 ZINC000220259441 570383729 /nfs/dbraw/zinc/38/37/29/570383729.db2.gz AUMDBMQDYCTKNY-CIAFKFPVSA-N 1 0 380.463 3.474 50 0 GGAARO COc1cc(C(=O)N2CC[NH+](C3CCCCCC3)CC2)cc(OC)c1OC ZINC000004614748 570387892 /nfs/dbraw/zinc/38/78/92/570387892.db2.gz JNHMGILSWTZJHV-UHFFFAOYSA-N 1 0 376.497 3.193 50 0 GGAARO Cc1nnc(CCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)s1 ZINC000220565668 570388454 /nfs/dbraw/zinc/38/84/54/570388454.db2.gz XLPUTCOVMSUSOP-UHFFFAOYSA-N 1 0 392.528 3.377 50 0 GGAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000004710737 570396886 /nfs/dbraw/zinc/39/68/86/570396886.db2.gz BPKYZOGOXYSDOF-UHFFFAOYSA-N 1 0 393.531 3.051 50 0 GGAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1 ZINC000004725453 570398286 /nfs/dbraw/zinc/39/82/86/570398286.db2.gz HJBJFZFYPDKTFL-UHFFFAOYSA-N 1 0 398.503 3.241 50 0 GGAARO COc1ccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1OC ZINC000004751649 570402816 /nfs/dbraw/zinc/40/28/16/570402816.db2.gz XGUJKDBBNDKHOE-UHFFFAOYSA-N 1 0 384.520 3.430 50 0 GGAARO COc1ccc(CN2C(=O)C[C@@H]([NH+]3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000004784483 570405701 /nfs/dbraw/zinc/40/57/01/570405701.db2.gz WNGWRYDWLJBBCT-OAQYLSRUSA-N 1 0 396.462 3.341 50 0 GGAARO COc1cc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000004840208 570410334 /nfs/dbraw/zinc/41/03/34/570410334.db2.gz LTISVGXSQVGJMR-UHFFFAOYSA-N 1 0 381.542 3.308 50 0 GGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000004856323 570412754 /nfs/dbraw/zinc/41/27/54/570412754.db2.gz IEJSORPRDLXODK-UHFFFAOYSA-N 1 0 387.867 3.131 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1c[nH]c2ccccc12 ZINC000524729331 570420621 /nfs/dbraw/zinc/42/06/21/570420621.db2.gz OQTQCTAIEKWQPB-PGRDOPGGSA-N 1 0 383.536 3.450 50 0 biogenic GGAARO COc1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3C)o2)cc1Cl ZINC000004993857 570422374 /nfs/dbraw/zinc/42/23/74/570422374.db2.gz YSKOORIGNGDTCZ-UHFFFAOYSA-N 1 0 393.900 3.404 50 0 GGAARO C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2[NH2+]CCCN2CCOCC2)[C@H]1C ZINC000239164900 570428229 /nfs/dbraw/zinc/42/82/29/570428229.db2.gz NCWFJKCFMCJXEG-JZZBYWGLSA-N 1 0 389.584 3.162 50 0 GGAARO COc1cc2c(cc1NC(=O)CSc1nc(N)cc(N)[nH+]1)oc1ccccc12 ZINC000005198490 570431285 /nfs/dbraw/zinc/43/12/85/570431285.db2.gz SHLADJFOWVEJBW-UHFFFAOYSA-N 1 0 395.444 3.280 50 0 GGAARO COc1ccc(-c2noc(-c3ccc(N4CC[N@@H+]5CCC[C@H]5C4)nc3)n2)cc1 ZINC000243932662 570433225 /nfs/dbraw/zinc/43/32/25/570433225.db2.gz BXOQRMJUOANRJS-KRWDZBQOSA-N 1 0 377.448 3.092 50 0 GGAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000011842180 570437966 /nfs/dbraw/zinc/43/79/66/570437966.db2.gz NPPSDMSRFVOPFQ-FQEVSTJZSA-N 1 0 376.859 3.122 50 0 GGAARO COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662213 570438391 /nfs/dbraw/zinc/43/83/91/570438391.db2.gz VMICVANSFIPHAF-HXUWFJFHSA-N 1 0 387.911 3.067 50 0 biogenic GGAARO CC[C@@H](Oc1ccccc1F)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027741713 570441159 /nfs/dbraw/zinc/44/11/59/570441159.db2.gz NDEIHZJKANZBMK-LJQANCHMSA-N 1 0 391.531 3.050 50 0 GGAARO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027741731 570441237 /nfs/dbraw/zinc/44/12/37/570441237.db2.gz BYTXMEJOSTZIBR-HXUWFJFHSA-N 1 0 391.531 3.050 50 0 GGAARO Cc1ccc(O[C@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1C ZINC000027741771 570441246 /nfs/dbraw/zinc/44/12/46/570441246.db2.gz NXIOWHCSXDXHDQ-HXUWFJFHSA-N 1 0 387.568 3.137 50 0 GGAARO CCOC(=O)[C@]1(Cc2ccccc2)c2ccccc2N(CCC[NH+](C)C)C1=O ZINC000005473389 570441318 /nfs/dbraw/zinc/44/13/18/570441318.db2.gz FVVDUGXSDYFBAC-HSZRJFAPSA-N 1 0 380.488 3.029 50 0 GGAARO COc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000027793307 570442661 /nfs/dbraw/zinc/44/26/61/570442661.db2.gz QMBQUXZQKMTGHX-IBGZPJMESA-N 1 0 387.911 3.067 50 0 GGAARO O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000011878637 570442844 /nfs/dbraw/zinc/44/28/44/570442844.db2.gz WVJNFWDDVQJHLQ-UHFFFAOYSA-N 1 0 395.551 3.392 50 0 GGAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000005635638 570449329 /nfs/dbraw/zinc/44/93/29/570449329.db2.gz QUSJUQITZUIQOK-UHFFFAOYSA-N 1 0 388.512 3.259 50 0 GGAARO CN(C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000011948050 570450015 /nfs/dbraw/zinc/45/00/15/570450015.db2.gz KTCMKGMPTHNCBW-CYBMUJFWSA-N 1 0 383.370 3.049 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)COc3ccccc3Cl)CCCCC2)CC1 ZINC000028291563 570456518 /nfs/dbraw/zinc/45/65/18/570456518.db2.gz PREQSSFNQFEURJ-UHFFFAOYSA-N 1 0 393.959 3.175 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)CCCCC2)CC1 ZINC000028403179 570459211 /nfs/dbraw/zinc/45/92/11/570459211.db2.gz RJKCWJULSPGJHM-GOSISDBHSA-N 1 0 391.531 3.050 50 0 GGAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000005900252 570461212 /nfs/dbraw/zinc/46/12/12/570461212.db2.gz BQFZMNQESVHALH-UHFFFAOYSA-N 1 0 377.532 3.243 50 0 GGAARO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cc(=O)n5ccsc5n4)C3)nc2c1 ZINC000130795396 570464853 /nfs/dbraw/zinc/46/48/53/570464853.db2.gz KHQITEPSOGELDR-AWEZNQCLSA-N 1 0 379.489 3.320 50 0 GGAARO COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OC1CC[NH+](C)CC1 ZINC000169328545 570483089 /nfs/dbraw/zinc/48/30/89/570483089.db2.gz WBLVOWHFRUAMCP-UHFFFAOYSA-N 1 0 387.480 3.210 50 0 in-vitro GGAARO Cn1c(-c2nc3cc(C(=O)N4CCC[C@H]([NH3+])C4)ccc3n2C)cc2ccccc21 ZINC000221533272 570485961 /nfs/dbraw/zinc/48/59/61/570485961.db2.gz SODALQVEMGOSEC-KRWDZBQOSA-N 1 0 387.487 3.295 50 0 in-vitro GGAARO CCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C)CC2)cc1 ZINC000006700902 570488404 /nfs/dbraw/zinc/48/84/04/570488404.db2.gz UKJZGGSFOPJIKY-UHFFFAOYSA-N 1 0 381.476 3.040 50 0 GGAARO CC(C)[N@@H+]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CC1 ZINC000006717744 570489689 /nfs/dbraw/zinc/48/96/89/570489689.db2.gz AHHPKVQYHXNBQN-UHFFFAOYSA-N 1 0 398.473 3.260 50 0 in-vivo GGAARO CCOC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000380913463 570491336 /nfs/dbraw/zinc/49/13/36/570491336.db2.gz ORNJAGQPVINUCJ-PGRDOPGGSA-N 1 0 388.508 3.451 50 0 GGAARO Cc1cnccc1CN(C)C(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426623227 570502023 /nfs/dbraw/zinc/50/20/23/570502023.db2.gz NEYRYALJYXSAHE-OAQYLSRUSA-N 1 0 380.536 3.486 50 0 GGAARO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCC2)n3C)cc1 ZINC000005207251 570506493 /nfs/dbraw/zinc/50/64/93/570506493.db2.gz XKEIWZJPPFBGCS-UHFFFAOYSA-N 1 0 398.532 3.321 50 0 GGAARO Cc1oc2c(cc3c(C)c(CC(=O)NCCC[NH+](C)C)c(=O)oc3c2C)c1C ZINC000006623679 570507520 /nfs/dbraw/zinc/50/75/20/570507520.db2.gz MRVHRHPYFNVTJJ-UHFFFAOYSA-N 1 0 384.476 3.383 50 0 biogenic GGAARO COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCCC1)n2C ZINC000005205677 570507722 /nfs/dbraw/zinc/50/77/22/570507722.db2.gz USRNBNQEQSIZNO-UHFFFAOYSA-N 1 0 378.476 3.473 50 0 GGAARO CCOc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1OCC ZINC000007540265 570507845 /nfs/dbraw/zinc/50/78/45/570507845.db2.gz IMCUWHCGBVCEFK-UHFFFAOYSA-N 1 0 399.520 3.342 50 0 GGAARO CCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC)c1 ZINC000007616276 570510526 /nfs/dbraw/zinc/51/05/26/570510526.db2.gz UTCRXEXWFCVBGA-UHFFFAOYSA-N 1 0 384.542 3.072 50 0 GGAARO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000032616892 570512177 /nfs/dbraw/zinc/51/21/77/570512177.db2.gz SXUUQGNXNHGNSA-UHFFFAOYSA-N 1 0 395.503 3.497 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F ZINC000005215914 570512431 /nfs/dbraw/zinc/51/24/31/570512431.db2.gz DHCPFRUHUVHAOD-LJQANCHMSA-N 1 0 380.419 3.429 50 0 GGAARO COc1ccccc1N1C[C@](O)(c2ccc3c(c2)OCCO3)[N+]2=C1CCCCC2 ZINC000002974500 570524314 /nfs/dbraw/zinc/52/43/14/570524314.db2.gz DQTRFWDEWJYJOJ-QHCPKHFHSA-N 1 0 395.479 3.117 50 0 GGAARO COc1cc2ncnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c2cc1OC ZINC000005236338 570524372 /nfs/dbraw/zinc/52/43/72/570524372.db2.gz ZVPWRBNAGYUMNW-UHFFFAOYSA-N 1 0 379.464 3.142 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000033318277 570525102 /nfs/dbraw/zinc/52/51/02/570525102.db2.gz DNKJXBMHHNBYIQ-UHFFFAOYSA-N 1 0 379.508 3.046 50 0 GGAARO CCOc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(OC)c(OC)c3)C2)cc1 ZINC000002966400 570525368 /nfs/dbraw/zinc/52/53/68/570525368.db2.gz QCAGFHHZFSOCBQ-HSZRJFAPSA-N 1 0 397.495 3.363 50 0 GGAARO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCCCC2)c(=O)n1Cc1ccco1 ZINC000022698335 570533470 /nfs/dbraw/zinc/53/34/70/570533470.db2.gz KHIHAIDSIQZLLJ-OAQYLSRUSA-N 1 0 379.460 3.474 50 0 GGAARO O=C(C1CC[NH+](C[C@H]2CC=CCC2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015856061 570536388 /nfs/dbraw/zinc/53/63/88/570536388.db2.gz BCODXABMZKKHEF-NRFANRHFSA-N 1 0 381.564 3.399 50 0 GGAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000002978423 570538944 /nfs/dbraw/zinc/53/89/44/570538944.db2.gz OUGYPTCSUCMTAD-FQEVSTJZSA-N 1 0 377.444 3.031 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 ZINC000022765484 570543241 /nfs/dbraw/zinc/54/32/41/570543241.db2.gz HIXDXDJFXNVKGC-QGZVFWFLSA-N 1 0 397.466 3.485 50 0 GGAARO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000008991863 570545471 /nfs/dbraw/zinc/54/54/71/570545471.db2.gz RQFOXGGDQUPRKF-UHFFFAOYSA-N 1 0 383.492 3.353 50 0 GGAARO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022823030 570554004 /nfs/dbraw/zinc/55/40/04/570554004.db2.gz SWMPFFKHNWPFQS-XCBYWJNASA-N 1 0 384.564 3.151 50 0 GGAARO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022823022 570554023 /nfs/dbraw/zinc/55/40/23/570554023.db2.gz SWMPFFKHNWPFQS-NEUFXUDDSA-N 1 0 384.564 3.151 50 0 GGAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022822288 570554146 /nfs/dbraw/zinc/55/41/46/570554146.db2.gz LFNIBTNXWVEVFP-NIRFSVBPSA-N 1 0 398.591 3.398 50 0 GGAARO CC(C)C[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@@]2([NH2+]1)c1ccccc1NC2=O ZINC000062001296 570555358 /nfs/dbraw/zinc/55/53/58/570555358.db2.gz RTDMACZUUAVYIT-LTMIRXACSA-N 1 0 377.488 3.175 50 0 biogenic GGAARO CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855170 570557546 /nfs/dbraw/zinc/55/75/46/570557546.db2.gz NXGGFBFDWLRQRG-OAHLLOKOSA-N 1 0 392.912 3.258 50 0 GGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000009620374 570560219 /nfs/dbraw/zinc/56/02/19/570560219.db2.gz PJAHUJUKKBWTJB-UHFFFAOYSA-N 1 0 393.413 3.198 50 0 GGAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000009620368 570560236 /nfs/dbraw/zinc/56/02/36/570560236.db2.gz LWUJPKIVQLZOBI-UHFFFAOYSA-N 1 0 393.413 3.198 50 0 GGAARO Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CC[NH+](C)C)c(=N)c32)cc1 ZINC000005346084 570561067 /nfs/dbraw/zinc/56/10/67/570561067.db2.gz KLRCATOGKWJOFB-IBGZPJMESA-N 1 0 376.460 3.224 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(F)c2)N(CC[NH+](C)C)C1=O ZINC000005346067 570561136 /nfs/dbraw/zinc/56/11/36/570561136.db2.gz ANROOCJMFILNAG-IBGZPJMESA-N 1 0 396.418 3.048 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccs2)N(CCC[NH+](C)C)C1=O ZINC000005345995 570561277 /nfs/dbraw/zinc/56/12/77/570561277.db2.gz ZTFZSMMTFVSTRE-SFHVURJKSA-N 1 0 398.484 3.360 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(F)cc2)N(CC[NH+](C)C)C1=O ZINC000005350200 570562875 /nfs/dbraw/zinc/56/28/75/570562875.db2.gz CUXAICSAANQJIL-IBGZPJMESA-N 1 0 396.418 3.048 50 0 GGAARO O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000022907465 570564023 /nfs/dbraw/zinc/56/40/23/570564023.db2.gz VJXPMFNFGPKCAO-FQEVSTJZSA-N 1 0 389.455 3.134 50 0 GGAARO Cc1sc2nc(SCC[NH+]3CCCC3)n(N)c(=O)c2c1-c1ccccc1 ZINC000036646123 570567429 /nfs/dbraw/zinc/56/74/29/570567429.db2.gz QXYAZGBOTGZVJD-UHFFFAOYSA-N 1 0 386.546 3.335 50 0 GGAARO COc1ccccc1-c1nc2c3c(C)c(C)n(CCC[NH+](C)C)c3ncn2n1 ZINC000006760052 570574807 /nfs/dbraw/zinc/57/48/07/570574807.db2.gz NFQQCAPYNAYMPD-UHFFFAOYSA-N 1 0 378.480 3.323 50 0 GGAARO COc1ccc(/C=C/C(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000011662519 570577335 /nfs/dbraw/zinc/57/73/35/570577335.db2.gz WDZHMFBFHZMYJK-BGVYSJOJSA-N 1 0 376.500 3.456 50 0 GGAARO CCn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000011663397 570577801 /nfs/dbraw/zinc/57/78/01/570577801.db2.gz FMAUNKWPOZLQNK-NRFANRHFSA-N 1 0 388.462 3.196 50 0 GGAARO CCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000011663841 570577955 /nfs/dbraw/zinc/57/79/55/570577955.db2.gz HMIRDTBJMIVSQO-HSZRJFAPSA-N 1 0 380.536 3.350 50 0 GGAARO O=C(NCc1ccncc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011665021 570579078 /nfs/dbraw/zinc/57/90/78/570579078.db2.gz ZYWFOHLMCZLRPS-JOCHJYFZSA-N 1 0 392.547 3.074 50 0 GGAARO O[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011762035 570581543 /nfs/dbraw/zinc/58/15/43/570581543.db2.gz AWJHXGNVMAWKTK-HXUWFJFHSA-N 1 0 391.471 3.284 50 0 GGAARO CC(C)C[NH+]1CCC(CN(C)C(=O)c2cn(CCCc3ccccc3)nn2)CC1 ZINC000011814237 570583549 /nfs/dbraw/zinc/58/35/49/570583549.db2.gz GFWYFOQTAIWCJU-UHFFFAOYSA-N 1 0 397.567 3.351 50 0 GGAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH+](CCO)CCO)c(C)s1 ZINC000011818552 570585519 /nfs/dbraw/zinc/58/55/19/570585519.db2.gz TUWPKBQPDAXAIF-UHFFFAOYSA-N 1 0 389.496 3.143 50 0 GGAARO Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000011844004 570588205 /nfs/dbraw/zinc/58/82/05/570588205.db2.gz WUFVPCXONKKBPN-UHFFFAOYSA-N 1 0 392.459 3.228 50 0 GGAARO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011870322 570588939 /nfs/dbraw/zinc/58/89/39/570588939.db2.gz RVNDFRBFXRRPLY-QGZVFWFLSA-N 1 0 391.519 3.152 50 0 GGAARO CCOC(C(=O)OC[C@H](O)C[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000002270675 570589762 /nfs/dbraw/zinc/58/97/62/570589762.db2.gz JDIRVIOZYKYKKR-OAQYLSRUSA-N 1 0 385.504 3.213 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3cc(C)ccc3C)C[C@H]2CCO)cc(OC)c1 ZINC000039380040 570590019 /nfs/dbraw/zinc/59/00/19/570590019.db2.gz BWWQRURGYWIFOY-JOCHJYFZSA-N 1 0 398.547 3.389 50 0 GGAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCN(Cc2cccs2)[C@H](CCO)C1 ZINC000039364469 570590189 /nfs/dbraw/zinc/59/01/89/570590189.db2.gz FUTFDOCOXRDNIR-OAQYLSRUSA-N 1 0 396.560 3.311 50 0 GGAARO COc1cccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c1OC ZINC000039406633 570590544 /nfs/dbraw/zinc/59/05/44/570590544.db2.gz VHSNIPHEZBPJJD-HXUWFJFHSA-N 1 0 376.541 3.153 50 0 GGAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039400455 570590611 /nfs/dbraw/zinc/59/06/11/570590611.db2.gz MNRSATCGFNNSKA-HSZRJFAPSA-N 1 0 390.531 3.250 50 0 GGAARO CCC(CC)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011879734 570591008 /nfs/dbraw/zinc/59/10/08/570591008.db2.gz BZYPBIHSVAYDKF-OAQYLSRUSA-N 1 0 399.579 3.442 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000011880012 570591025 /nfs/dbraw/zinc/59/10/25/570591025.db2.gz DUCWFVPPJXEMID-SFHVURJKSA-N 1 0 392.455 3.196 50 0 GGAARO CCC(CC)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011879735 570591320 /nfs/dbraw/zinc/59/13/20/570591320.db2.gz BZYPBIHSVAYDKF-NRFANRHFSA-N 1 0 399.579 3.442 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000011879370 570591328 /nfs/dbraw/zinc/59/13/28/570591328.db2.gz JBLYOORALHCRTA-VUQTYRPGSA-N 1 0 385.527 3.294 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039445368 570591552 /nfs/dbraw/zinc/59/15/52/570591552.db2.gz SOTKKOZVNRZPQT-JOCHJYFZSA-N 1 0 398.547 3.389 50 0 GGAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1OC ZINC000011905392 570591661 /nfs/dbraw/zinc/59/16/61/570591661.db2.gz XBSDLZZTHVLZRS-SFHVURJKSA-N 1 0 395.459 3.392 50 0 GGAARO CC(C)CC[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000011880375 570591745 /nfs/dbraw/zinc/59/17/45/570591745.db2.gz CTWCSEOUSGJPGW-QGZVFWFLSA-N 1 0 387.528 3.293 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)C[C@H]2CCO)cc(OC)c1 ZINC000039455217 570591914 /nfs/dbraw/zinc/59/19/14/570591914.db2.gz YONFSNZFIVMVDK-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO CCOCc1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000039461196 570591990 /nfs/dbraw/zinc/59/19/90/570591990.db2.gz XUJWLKCSGHPFKE-HSZRJFAPSA-N 1 0 398.547 3.301 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1C ZINC000011909119 570592405 /nfs/dbraw/zinc/59/24/05/570592405.db2.gz AWDMLZXOMIWQMV-IBGZPJMESA-N 1 0 397.523 3.058 50 0 GGAARO O=C(COc1ccc(Cl)cc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000006786028 570592477 /nfs/dbraw/zinc/59/24/77/570592477.db2.gz RUJBQCLLVMJCTR-UHFFFAOYSA-N 1 0 387.911 3.047 50 0 GGAARO Cc1nc2sccn2c1CN1CC[N@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000039489701 570592699 /nfs/dbraw/zinc/59/26/99/570592699.db2.gz NJZUTEDHFQSJDH-HXUWFJFHSA-N 1 0 398.576 3.206 50 0 GGAARO Cn1cc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c2ccccc21 ZINC000039518404 570592769 /nfs/dbraw/zinc/59/27/69/570592769.db2.gz OUPUPDXGBVQKHK-JOCHJYFZSA-N 1 0 377.532 3.290 50 0 GGAARO Cn1c2ccccc2nc1CN1CC[N@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000039530926 570593289 /nfs/dbraw/zinc/59/32/89/570593289.db2.gz BRIXOQFJUWVFPN-OAQYLSRUSA-N 1 0 392.547 3.075 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cc(C)c(O)c(C)c3)C[C@H]2CCO)c1 ZINC000039518857 570593524 /nfs/dbraw/zinc/59/35/24/570593524.db2.gz QDDNVBJXENCYSP-OAQYLSRUSA-N 1 0 384.520 3.086 50 0 GGAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1ccc2n[nH]nc2c1 ZINC000011936407 570594176 /nfs/dbraw/zinc/59/41/76/570594176.db2.gz QKFIXCJHHNEIPY-UHFFFAOYSA-N 1 0 395.482 3.124 50 0 GGAARO O=C(C1CCOCC1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011938474 570595299 /nfs/dbraw/zinc/59/52/99/570595299.db2.gz XGEGUNBCZLTOGF-UHFFFAOYSA-N 1 0 385.552 3.491 50 0 GGAARO COc1ccc(C2(C(=O)N[C@H]3CCCN(C4CC[NH+](C)CC4)C3)CCCC2)cc1 ZINC000011956799 570595828 /nfs/dbraw/zinc/59/58/28/570595828.db2.gz XAGKBHDLXGPFAH-FQEVSTJZSA-N 1 0 399.579 3.182 50 0 GGAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2cccs2)cc1 ZINC000011967917 570596363 /nfs/dbraw/zinc/59/63/63/570596363.db2.gz OEDJOYJTYPQWTO-SFHVURJKSA-N 1 0 386.517 3.248 50 0 GGAARO CCC(CC)C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3cccc(OC)c3)n2CC1 ZINC000011973545 570596694 /nfs/dbraw/zinc/59/66/94/570596694.db2.gz NMIRCYTYCPJABQ-MRXNPFEDSA-N 1 0 399.539 3.072 50 0 GGAARO CCCC[C@H]1C[N@H+](CCC(=O)NCc2cc(C)n(C)n2)Cc2ccccc2O1 ZINC000011978694 570596923 /nfs/dbraw/zinc/59/69/23/570596923.db2.gz KAPPKEZCSSMIMC-FQEVSTJZSA-N 1 0 384.524 3.188 50 0 GGAARO CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)CC1 ZINC000011998293 570597382 /nfs/dbraw/zinc/59/73/82/570597382.db2.gz IIZRYZQEVJAWLK-GOSISDBHSA-N 1 0 388.552 3.420 50 0 GGAARO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000011998306 570597415 /nfs/dbraw/zinc/59/74/15/570597415.db2.gz XUCJCDGNZVLRRC-KRWDZBQOSA-N 1 0 382.508 3.035 50 0 GGAARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)c1OC ZINC000012001885 570597656 /nfs/dbraw/zinc/59/76/56/570597656.db2.gz ONKVGONZQODBKY-OAHLLOKOSA-N 1 0 389.521 3.111 50 0 GGAARO O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012004455 570598345 /nfs/dbraw/zinc/59/83/45/570598345.db2.gz NXZYKAAQRZIUOZ-CQSZACIVSA-N 1 0 395.381 3.193 50 0 GGAARO CCN(CC[NH+](CC)CC)C(=O)c1cc(COc2ccc(C)cc2OC)on1 ZINC000012003744 570598441 /nfs/dbraw/zinc/59/84/41/570598441.db2.gz NBLSGECPALNFTG-UHFFFAOYSA-N 1 0 389.496 3.375 50 0 GGAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCc1cc(F)ccc1C)C2 ZINC000012024852 570598945 /nfs/dbraw/zinc/59/89/45/570598945.db2.gz IJDLGUVRAJBYPY-INIZCTEOSA-N 1 0 386.467 3.432 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000012022770 570598998 /nfs/dbraw/zinc/59/89/98/570598998.db2.gz VIZPSYIAIJDPPB-FQEVSTJZSA-N 1 0 382.504 3.411 50 0 GGAARO Cc1nc(CN(C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cs1 ZINC000012027442 570599421 /nfs/dbraw/zinc/59/94/21/570599421.db2.gz GCXHTRVBVPKQRN-HXUWFJFHSA-N 1 0 389.565 3.309 50 0 GGAARO Cc1nc(CN(C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cs1 ZINC000012027436 570599567 /nfs/dbraw/zinc/59/95/67/570599567.db2.gz GCXHTRVBVPKQRN-FQEVSTJZSA-N 1 0 389.565 3.309 50 0 GGAARO Cc1cc(C)cc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 ZINC000012038775 570599985 /nfs/dbraw/zinc/59/99/85/570599985.db2.gz WEPSVKGBCMQJCI-NHCUHLMSSA-N 1 0 386.536 3.112 50 0 GGAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC[C@H](CNC(=O)[C@@H]3CCCO3)O2)CC1 ZINC000012042128 570600394 /nfs/dbraw/zinc/60/03/94/570600394.db2.gz MVRCQGFRGPLNBT-KIAWPDGXSA-N 1 0 398.547 3.399 50 0 GGAARO O=C(c1ccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)cc1)N1CCCCC1 ZINC000012051222 570600944 /nfs/dbraw/zinc/60/09/44/570600944.db2.gz RXFCKYNSQXWJDA-UHFFFAOYSA-N 1 0 398.503 3.441 50 0 GGAARO COC(=O)CCC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012053957 570601616 /nfs/dbraw/zinc/60/16/16/570601616.db2.gz ZNLLZLNKPYHFAN-GOSISDBHSA-N 1 0 392.927 3.354 50 0 GGAARO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012075506 570605134 /nfs/dbraw/zinc/60/51/34/570605134.db2.gz PUSZNJPLZPZLHO-HXUWFJFHSA-N 1 0 387.568 3.106 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000012075437 570605225 /nfs/dbraw/zinc/60/52/25/570605225.db2.gz JKRQXONUGNRMQV-UHFFFAOYSA-N 1 0 381.476 3.026 50 0 GGAARO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012075510 570605237 /nfs/dbraw/zinc/60/52/37/570605237.db2.gz PUSZNJPLZPZLHO-FQEVSTJZSA-N 1 0 387.568 3.106 50 0 GGAARO Cc1cccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)n1 ZINC000012079610 570605896 /nfs/dbraw/zinc/60/58/96/570605896.db2.gz SCMIZEJTIVCFNJ-SFHVURJKSA-N 1 0 387.553 3.169 50 0 GGAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]C1(c2ccccc2)CC1 ZINC000012111800 570608571 /nfs/dbraw/zinc/60/85/71/570608571.db2.gz IAXCVHQOOQEAJB-JOCHJYFZSA-N 1 0 386.442 3.097 50 0 GGAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](CCCn2cccn2)C1 ZINC000012111912 570608838 /nfs/dbraw/zinc/60/88/38/570608838.db2.gz ZHZQBKLXIXTVHS-JOCHJYFZSA-N 1 0 385.508 3.170 50 0 GGAARO COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccccc2)cc1 ZINC000012149784 570618018 /nfs/dbraw/zinc/61/80/18/570618018.db2.gz SJKULAGVEQLCKL-FQEVSTJZSA-N 1 0 382.504 3.287 50 0 GGAARO CCC(CC)C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000012166112 570619307 /nfs/dbraw/zinc/61/93/07/570619307.db2.gz CQXWDCZZNNUBKQ-KRWDZBQOSA-N 1 0 383.540 3.372 50 0 GGAARO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000012193382 570622362 /nfs/dbraw/zinc/62/23/62/570622362.db2.gz SSMKUZQLJQMLAL-INIZCTEOSA-N 1 0 386.927 3.432 50 0 GGAARO Cn1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cn1 ZINC000012194813 570622564 /nfs/dbraw/zinc/62/25/64/570622564.db2.gz CVWKQVJDOGLLCV-UHFFFAOYSA-N 1 0 398.898 3.359 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc(Cl)c(O)c(OC)c2)C1 ZINC000012195630 570623309 /nfs/dbraw/zinc/62/33/09/570623309.db2.gz QFQYHCHEQOYXLX-LJQANCHMSA-N 1 0 385.888 3.236 50 0 GGAARO O=C(c1coc(COc2cccc(F)c2)n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000012200759 570624418 /nfs/dbraw/zinc/62/44/18/570624418.db2.gz TUJCMEFVTVADGB-UHFFFAOYSA-N 1 0 387.455 3.483 50 0 GGAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+]1CCCn1cccn1 ZINC000012207994 570626515 /nfs/dbraw/zinc/62/65/15/570626515.db2.gz YDYLMIUHTCOCRZ-LJQANCHMSA-N 1 0 381.505 3.500 50 0 GGAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCc2cn(C)nc2C)Cc2ccccc2O1 ZINC000012212975 570627134 /nfs/dbraw/zinc/62/71/34/570627134.db2.gz OFFHJZGGZJJGRT-HXUWFJFHSA-N 1 0 384.524 3.188 50 0 GGAARO CC(=O)c1ccc(OCC(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000012297642 570634195 /nfs/dbraw/zinc/63/41/95/570634195.db2.gz XJZSZEYSZPJITQ-JOCHJYFZSA-N 1 0 394.515 3.481 50 0 GGAARO O=C(NCCCC1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012298888 570634614 /nfs/dbraw/zinc/63/46/14/570634614.db2.gz YTIRJQFYAGGRHP-HXUWFJFHSA-N 1 0 389.584 3.186 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C)n(C)n1 ZINC000012298293 570634931 /nfs/dbraw/zinc/63/49/31/570634931.db2.gz XTMIDALJWWNUJM-IBGZPJMESA-N 1 0 386.515 3.284 50 0 GGAARO CCn1ccnc1CN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000012300030 570635866 /nfs/dbraw/zinc/63/58/66/570635866.db2.gz TYNOJWZDJUOUNI-HSZRJFAPSA-N 1 0 398.551 3.408 50 0 GGAARO O=C1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CN1Cc1ccccc1C(F)(F)F ZINC000012301590 570636684 /nfs/dbraw/zinc/63/66/84/570636684.db2.gz QWCYGMWGISNKOV-OAHLLOKOSA-N 1 0 392.377 3.325 50 0 GGAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012303274 570636991 /nfs/dbraw/zinc/63/69/91/570636991.db2.gz PULPJOVQDKGOEM-KRWDZBQOSA-N 1 0 387.451 3.300 50 0 GGAARO CCc1[nH]nc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)c1C ZINC000012305462 570638826 /nfs/dbraw/zinc/63/88/26/570638826.db2.gz OEYVUAXSGYHWDM-UHFFFAOYSA-N 1 0 386.515 3.446 50 0 GGAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012306472 570639449 /nfs/dbraw/zinc/63/94/49/570639449.db2.gz PXIKQYIZHUHIEQ-JOCHJYFZSA-N 1 0 392.547 3.074 50 0 GGAARO O=C(NCc1ccon1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012307939 570639810 /nfs/dbraw/zinc/63/98/10/570639810.db2.gz RFCOUANIHOAPAU-UHFFFAOYSA-N 1 0 392.459 3.043 50 0 GGAARO CN(C(=O)C(=O)CCc1ccccc1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012314957 570640798 /nfs/dbraw/zinc/64/07/98/570640798.db2.gz SGMMMKRPAUFMPN-QFIPXVFZSA-N 1 0 390.527 3.279 50 0 GGAARO COc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000044917551 570643367 /nfs/dbraw/zinc/64/33/67/570643367.db2.gz VCKQWDPRCASUMV-UHFFFAOYSA-N 1 0 398.503 3.241 50 0 GGAARO CC(C)c1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1nccc(-c2ccco2)n1 ZINC000012330009 570644084 /nfs/dbraw/zinc/64/40/84/570644084.db2.gz GYLVDLFSEQHRFV-UHFFFAOYSA-N 1 0 396.495 3.069 50 0 GGAARO CC1(C)C[C@H](N2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)CCO1 ZINC000012338064 570645209 /nfs/dbraw/zinc/64/52/09/570645209.db2.gz CGVJSBJYFNZSMH-ZWKOTPCHSA-N 1 0 378.488 3.133 50 0 GGAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CCNC(C)=O)cc1F ZINC000012373458 570648793 /nfs/dbraw/zinc/64/87/93/570648793.db2.gz SELXRRQDDKMOGP-UHFFFAOYSA-N 1 0 396.466 3.221 50 0 GGAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012385318 570650363 /nfs/dbraw/zinc/65/03/63/570650363.db2.gz UVAYMARMCQCKBV-IBGZPJMESA-N 1 0 380.488 3.442 50 0 GGAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)n2)cc1 ZINC000012385848 570650827 /nfs/dbraw/zinc/65/08/27/570650827.db2.gz UUOXBXBCNQFVLT-GOSISDBHSA-N 1 0 395.463 3.165 50 0 GGAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000012385863 570650995 /nfs/dbraw/zinc/65/09/95/570650995.db2.gz ZQVGJFOVMALIPU-JOCHJYFZSA-N 1 0 387.476 3.386 50 0 GGAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000012391529 570652306 /nfs/dbraw/zinc/65/23/06/570652306.db2.gz QFJDLVDBNFHYKY-UHFFFAOYSA-N 1 0 383.492 3.210 50 0 GGAARO CC1CC[NH+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1 ZINC000048187606 570656218 /nfs/dbraw/zinc/65/62/18/570656218.db2.gz VZBCGNDYHYQBQX-UHFFFAOYSA-N 1 0 377.492 3.108 50 0 GGAARO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3coc(COc4ccc(F)cc4)n3)C2)C1 ZINC000012429555 570658045 /nfs/dbraw/zinc/65/80/45/570658045.db2.gz QMEGKZYHYYNHSI-NRFANRHFSA-N 1 0 387.455 3.341 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccncc1 ZINC000012430552 570659123 /nfs/dbraw/zinc/65/91/23/570659123.db2.gz SPDOCJWNDTZURX-LJQANCHMSA-N 1 0 393.531 3.050 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000012446770 570666535 /nfs/dbraw/zinc/66/65/35/570666535.db2.gz VQLARRVKVCYAGC-UHFFFAOYSA-N 1 0 384.499 3.453 50 0 GGAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH2+][C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000012455851 570669065 /nfs/dbraw/zinc/66/90/65/570669065.db2.gz BIGDDXAMHDANCC-LJQANCHMSA-N 1 0 380.471 3.177 50 0 GGAARO O=C(CN1CCCCC1=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012464486 570671119 /nfs/dbraw/zinc/67/11/19/570671119.db2.gz CKIFCRKLSYDUOZ-HSZRJFAPSA-N 1 0 389.584 3.284 50 0 GGAARO C[C@H](CO)NC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012465848 570671720 /nfs/dbraw/zinc/67/17/20/570671720.db2.gz XERPJXASVLOOML-CQSZACIVSA-N 1 0 380.916 3.236 50 0 GGAARO C[C@@H]1CN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)CC[N@@H+]1C ZINC000012468429 570672199 /nfs/dbraw/zinc/67/21/99/570672199.db2.gz FUCXSGSHIKWXBB-QGZVFWFLSA-N 1 0 377.492 3.447 50 0 GGAARO COc1cc(C(=O)N(C)CCC2CCOCC2)ccc1OC1CC[NH+](C)CC1 ZINC000012471529 570672802 /nfs/dbraw/zinc/67/28/02/570672802.db2.gz QUROGRCZDILBMG-UHFFFAOYSA-N 1 0 390.524 3.057 50 0 GGAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+]([C@H](C)CC(C)(C)O)CC1 ZINC000012473327 570673295 /nfs/dbraw/zinc/67/32/95/570673295.db2.gz YKGSXOYZEVXYFG-QGZVFWFLSA-N 1 0 377.525 3.433 50 0 GGAARO COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000004337826 570674758 /nfs/dbraw/zinc/67/47/58/570674758.db2.gz OGNNVWOMYLOWRO-HXUWFJFHSA-N 1 0 392.455 3.217 50 0 GGAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000012507592 570675248 /nfs/dbraw/zinc/67/52/48/570675248.db2.gz GQCKJYVJVFPYRJ-UHFFFAOYSA-N 1 0 382.504 3.415 50 0 GGAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nn1 ZINC000012512998 570675292 /nfs/dbraw/zinc/67/52/92/570675292.db2.gz IINOYKUCLFQGND-SFHVURJKSA-N 1 0 392.507 3.145 50 0 GGAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1ccc(F)c(F)c1)CCO2 ZINC000055036349 570679751 /nfs/dbraw/zinc/67/97/51/570679751.db2.gz WQJTYYWMSZFEFH-OAQYLSRUSA-N 1 0 376.447 3.129 50 0 GGAARO CC[N@H+](CCO)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012571355 570681044 /nfs/dbraw/zinc/68/10/44/570681044.db2.gz GYRFABDJLFMXTK-UHFFFAOYSA-N 1 0 379.460 3.141 50 0 GGAARO O=C(c1ccnnc1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012572200 570681425 /nfs/dbraw/zinc/68/14/25/570681425.db2.gz WTSIBFIKYZFPKD-QGZVFWFLSA-N 1 0 386.446 3.129 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccc[n+]([O-])c1 ZINC000012571835 570681466 /nfs/dbraw/zinc/68/14/66/570681466.db2.gz JWQKZIKTPQAXNE-UHFFFAOYSA-N 1 0 381.520 3.045 50 0 GGAARO COc1ccc(NC(=O)CCC2CC[NH+](C[C@H]3CCOC3)CC2)c(OC)c1 ZINC000012575244 570682289 /nfs/dbraw/zinc/68/22/89/570682289.db2.gz APPMSAZRKRFUDP-QGZVFWFLSA-N 1 0 376.497 3.171 50 0 GGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CN1CCCCC1=O ZINC000012575372 570682475 /nfs/dbraw/zinc/68/24/75/570682475.db2.gz YJVQMJPTMYFVIV-UHFFFAOYSA-N 1 0 399.579 3.111 50 0 GGAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1C=Cc1ccc2cccc(O)c2n1 ZINC000055100393 570682965 /nfs/dbraw/zinc/68/29/65/570682965.db2.gz BHRPSPLILKUKAO-RQMBKDMJSA-N 1 0 399.454 3.342 50 0 GGAARO CCn1ncc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000012581634 570683939 /nfs/dbraw/zinc/68/39/39/570683939.db2.gz NXOKBCCFBSEUEZ-HARLFGEKSA-N 1 0 394.519 3.158 50 0 GGAARO Cc1nn(C)c(C)c1C[N@@H+](Cc1cn(CCC(N)=O)c2ccccc12)C(C)C ZINC000055166816 570685418 /nfs/dbraw/zinc/68/54/18/570685418.db2.gz OLSYTTVAFSQKTG-UHFFFAOYSA-N 1 0 381.524 3.278 50 0 GGAARO CSc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000012587900 570686093 /nfs/dbraw/zinc/68/60/93/570686093.db2.gz ZFFPVENEISACNP-GOSISDBHSA-N 1 0 387.593 3.364 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000012591329 570687106 /nfs/dbraw/zinc/68/71/06/570687106.db2.gz PDAIZIJHIVEAFJ-JOCHJYFZSA-N 1 0 385.508 3.269 50 0 GGAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccoc1 ZINC000012591191 570687159 /nfs/dbraw/zinc/68/71/59/570687159.db2.gz OZMJUNDODDFMRA-SFHVURJKSA-N 1 0 382.504 3.248 50 0 GGAARO CC[C@@H](C)c1ccccc1OCC(=O)N(C)CC1CC[NH+](CCOC)CC1 ZINC000055211868 570687460 /nfs/dbraw/zinc/68/74/60/570687460.db2.gz CQYXEIRJTMYYMM-GOSISDBHSA-N 1 0 376.541 3.396 50 0 GGAARO COCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012593831 570688339 /nfs/dbraw/zinc/68/83/39/570688339.db2.gz RUUIWDQWQRQSAO-QFIPXVFZSA-N 1 0 388.552 3.251 50 0 GGAARO CC(C)C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055228387 570688397 /nfs/dbraw/zinc/68/83/97/570688397.db2.gz WZHYUNOZEVULAD-SFHVURJKSA-N 1 0 383.458 3.474 50 0 GGAARO CCc1oc(C(=O)N[C@H](C)c2cn3ncsc3n2)cc1C[NH+](CC)CC ZINC000055255230 570689182 /nfs/dbraw/zinc/68/91/82/570689182.db2.gz QGTHPOSBFYQSDG-GFCCVEGCSA-N 1 0 375.498 3.279 50 0 GGAARO CCCCc1ncc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)[nH]1 ZINC000055254361 570689389 /nfs/dbraw/zinc/68/93/89/570689389.db2.gz HHUUGSKPZUWMHX-LJQANCHMSA-N 1 0 376.545 3.040 50 0 GGAARO O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012612372 570690581 /nfs/dbraw/zinc/69/05/81/570690581.db2.gz VEGLKPNQOQTJNI-QGZVFWFLSA-N 1 0 379.435 3.478 50 0 GGAARO O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012612376 570690663 /nfs/dbraw/zinc/69/06/63/570690663.db2.gz VEGLKPNQOQTJNI-KRWDZBQOSA-N 1 0 379.435 3.478 50 0 GGAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(c3ccccc3OC)CC2)n1 ZINC000243932321 570692166 /nfs/dbraw/zinc/69/21/66/570692166.db2.gz BUXADAVLRKPVFI-QAQDUYKDSA-N 1 0 382.508 3.220 50 0 GGAARO O=C(CC[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1)Nc1ccc(F)c(Cl)c1 ZINC000244574822 570693537 /nfs/dbraw/zinc/69/35/37/570693537.db2.gz CSAFRQSDCIMYEL-CQSZACIVSA-N 1 0 381.879 3.142 50 0 GGAARO COCC[N@H+](C/C=C/c1ccccc1)Cc1cn(CC(N)=O)c2ccccc12 ZINC000055385907 570693960 /nfs/dbraw/zinc/69/39/60/570693960.db2.gz JBEVLHCLUJXLSJ-JXMROGBWSA-N 1 0 377.488 3.288 50 0 GGAARO NC(=O)c1ccc(NC(=O)CC[NH+]2CCC3(CCc4ccccc43)CC2)cc1 ZINC000244652020 570694253 /nfs/dbraw/zinc/69/42/53/570694253.db2.gz GYHSJPCMHVXWDM-UHFFFAOYSA-N 1 0 377.488 3.094 50 0 GGAARO CN(Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)Cc1ccccc1C(F)(F)F ZINC000244734679 570695760 /nfs/dbraw/zinc/69/57/60/570695760.db2.gz NJVBELPZLCXQJB-OKILXGFUSA-N 1 0 379.430 3.469 50 0 GGAARO COCc1nc(NCc2nc3ccccc3n2C(C)C)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244741926 570695866 /nfs/dbraw/zinc/69/58/66/570695866.db2.gz NZFRDCSDCWGDNO-SHTZXODSSA-N 1 0 380.496 3.370 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)Cc2c(C)noc2C)CC1 ZINC000012701708 570698919 /nfs/dbraw/zinc/69/89/19/570698919.db2.gz FQEKHFADHDDPLR-UHFFFAOYSA-N 1 0 399.535 3.256 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCC(=O)c1ccccc1 ZINC000012701841 570698954 /nfs/dbraw/zinc/69/89/54/570698954.db2.gz KZFHHZLZDDXBNE-UHFFFAOYSA-N 1 0 399.579 3.304 50 0 GGAARO COc1ccccc1OCC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012705336 570700181 /nfs/dbraw/zinc/70/01/81/570700181.db2.gz ZSOVWHDZMVBVPM-HXUWFJFHSA-N 1 0 382.504 3.287 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCOCC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012706526 570700598 /nfs/dbraw/zinc/70/05/98/570700598.db2.gz CXUSVXSYOGRZGR-INIZCTEOSA-N 1 0 376.928 3.379 50 0 GGAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)COc3ccccc3)nc21 ZINC000004359260 570701008 /nfs/dbraw/zinc/70/10/08/570701008.db2.gz MUEMDYDKAUJPLO-UHFFFAOYSA-N 1 0 385.489 3.279 50 0 GGAARO CCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1CC[NH+](CC)CC ZINC000004623954 570701341 /nfs/dbraw/zinc/70/13/41/570701341.db2.gz SPJNSLJDHDMCBH-UHFFFAOYSA-N 1 0 388.537 3.365 50 0 GGAARO C[NH+](C)CCN(C(=O)C1CCCCC1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359340 570701730 /nfs/dbraw/zinc/70/17/30/570701730.db2.gz YSQYZUUQAGHGFJ-UHFFFAOYSA-N 1 0 375.494 3.500 50 0 GGAARO CC(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012710210 570702136 /nfs/dbraw/zinc/70/21/36/570702136.db2.gz ACZWFTBTACYTTE-HXUWFJFHSA-N 1 0 385.552 3.052 50 0 GGAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000012711914 570702469 /nfs/dbraw/zinc/70/24/69/570702469.db2.gz PZHWDEVSDOJTRL-UHFFFAOYSA-N 1 0 385.508 3.450 50 0 GGAARO COc1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc(OC)c1OC ZINC000057530805 570702781 /nfs/dbraw/zinc/70/27/81/570702781.db2.gz JTICZRQQMMRMOL-UHFFFAOYSA-N 1 0 399.491 3.499 50 0 GGAARO COc1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cn1 ZINC000012710942 570702777 /nfs/dbraw/zinc/70/27/77/570702777.db2.gz UPPUSNIFWOUXSH-QHCPKHFHSA-N 1 0 394.519 3.046 50 0 GGAARO COc1cccc(CC2(CO)CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000012714619 570703945 /nfs/dbraw/zinc/70/39/45/570703945.db2.gz ZNCIRYZHNIMPNE-UHFFFAOYSA-N 1 0 383.488 3.284 50 0 GGAARO Cc1ccc(-c2cnnc(N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)o1 ZINC000012716433 570704888 /nfs/dbraw/zinc/70/48/88/570704888.db2.gz BISYGWWJPUUNQI-LJQANCHMSA-N 1 0 375.476 3.120 50 0 GGAARO CCOc1cccc(C[NH+]2CCC(CCC(=O)N3CCN(CC)CC3)CC2)c1 ZINC000012718573 570705241 /nfs/dbraw/zinc/70/52/41/570705241.db2.gz GTGJXZAOHHENTJ-UHFFFAOYSA-N 1 0 387.568 3.242 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2)CC1 ZINC000012717991 570705299 /nfs/dbraw/zinc/70/52/99/570705299.db2.gz PEVAUKMFZYVLCB-HXUWFJFHSA-N 1 0 394.943 3.320 50 0 GGAARO CCOC(=O)C1(CCOC)CC[NH+](C[C@H](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000012725572 570706757 /nfs/dbraw/zinc/70/67/57/570706757.db2.gz SJJSQKIULBTVIE-QGZVFWFLSA-N 1 0 391.508 3.276 50 0 GGAARO O=C(CCN1CCCCO1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012747874 570709017 /nfs/dbraw/zinc/70/90/17/570709017.db2.gz NGMFTUSCZYHMMN-QFIPXVFZSA-N 1 0 389.515 3.058 50 0 GGAARO COc1cccc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000252486395 570728316 /nfs/dbraw/zinc/72/83/16/570728316.db2.gz HKYODNAQKHOOPQ-HXUWFJFHSA-N 1 0 381.476 3.350 50 0 GGAARO Cc1cc(-c2ccccc2)nc(CN2CCC([C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC000252509111 570729243 /nfs/dbraw/zinc/72/92/43/570729243.db2.gz YCQBZANWTHHAGA-LJQANCHMSA-N 1 0 380.536 3.385 50 0 GGAARO CCOc1cc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1F ZINC000004632353 570742409 /nfs/dbraw/zinc/74/24/09/570742409.db2.gz QVEBXJTZIXTYEU-CQSZACIVSA-N 1 0 389.452 3.450 50 0 GGAARO Cc1c(C)c(=O)oc2cc(OCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000036585283 570744084 /nfs/dbraw/zinc/74/40/84/570744084.db2.gz HCVVNZPIPGXUFG-YLJYHZDGSA-N 1 0 398.503 3.169 50 0 GGAARO CCn1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@@H]3C)c3ccccc3n2)cn1 ZINC000063832376 570750145 /nfs/dbraw/zinc/75/01/45/570750145.db2.gz CIFCFQPTSPPKCS-INIZCTEOSA-N 1 0 377.492 3.284 50 0 GGAARO Cc1ccc2c(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc(-c3cnn(C)c3)nc2c1C ZINC000063844982 570750858 /nfs/dbraw/zinc/75/08/58/570750858.db2.gz VJRRXJZCNMZBER-GOSISDBHSA-N 1 0 391.519 3.418 50 0 GGAARO CC[C@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)CC[N@@H+]1C ZINC000063846272 570751232 /nfs/dbraw/zinc/75/12/32/570751232.db2.gz LJJGYFRURFKACJ-SFHVURJKSA-N 1 0 391.519 3.418 50 0 GGAARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000063846628 570751308 /nfs/dbraw/zinc/75/13/08/570751308.db2.gz MPVRVTUIZZQHAM-INIZCTEOSA-N 1 0 377.492 3.049 50 0 GGAARO Cc1noc(C)c1C[N@H+]1CC=C(c2cnn(-c3ccc4c(c3)OCO4)c2)CC1 ZINC000065370690 570761450 /nfs/dbraw/zinc/76/14/50/570761450.db2.gz TXBUJNFSBBEXSV-UHFFFAOYSA-N 1 0 378.432 3.495 50 0 GGAARO CCOc1ccccc1NC(=O)CC(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000065371954 570761961 /nfs/dbraw/zinc/76/19/61/570761961.db2.gz BSFXEYYEHFZNCW-SFHVURJKSA-N 1 0 383.492 3.223 50 0 GGAARO O=C(CC[NH+]1CCC(O)(c2ccccn2)CC1)Nc1nc2ccccc2s1 ZINC000065374671 570762672 /nfs/dbraw/zinc/76/26/72/570762672.db2.gz OLOZSAJAPFBEIT-UHFFFAOYSA-N 1 0 382.489 3.004 50 0 GGAARO CCOc1ccccc1NC(=O)CC(=O)N(CC)CC[NH+]1CCCCCC1 ZINC000065384178 570763642 /nfs/dbraw/zinc/76/36/42/570763642.db2.gz WTXVESVUAQHNLM-UHFFFAOYSA-N 1 0 375.513 3.138 50 0 GGAARO O=C(c1ccccc1)N1CCC([N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC1 ZINC000065385661 570763928 /nfs/dbraw/zinc/76/39/28/570763928.db2.gz BTRQRBHEDAUUPT-FCHUYYIVSA-N 1 0 382.479 3.281 50 0 GGAARO Cc1ccsc1CNc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000065394063 570765117 /nfs/dbraw/zinc/76/51/17/570765117.db2.gz LCTIHNKNOGWTBX-PMACEKPBSA-N 1 0 399.560 3.340 50 0 GGAARO CCn1ncnc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000065408557 570767125 /nfs/dbraw/zinc/76/71/25/570767125.db2.gz KODJCQOXTIGOLN-IBGZPJMESA-N 1 0 376.464 3.282 50 0 GGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cnc(-c3ccccn3)nc2)s1 ZINC000065433719 570768437 /nfs/dbraw/zinc/76/84/37/570768437.db2.gz VHBIUUIDCVKOPJ-UHFFFAOYSA-N 1 0 381.505 3.113 50 0 GGAARO Cc1ccccc1-c1c(-c2ccccc2)ncn1CCC[NH+](CCO)CCO ZINC000065466202 570770038 /nfs/dbraw/zinc/77/00/38/570770038.db2.gz MHLWDIAGWSVOEE-UHFFFAOYSA-N 1 0 379.504 3.202 50 0 GGAARO COc1ccc(NC(=O)CC[NH+]2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000065505050 570771174 /nfs/dbraw/zinc/77/11/74/570771174.db2.gz PAYKLWTUOARFLL-UHFFFAOYSA-N 1 0 384.476 3.016 50 0 GGAARO Cc1ccc(-c2nc(NCC[N@@H+]3CCC[C@H](O)C3)ncc2-c2cccnc2)cc1 ZINC000065526200 570771833 /nfs/dbraw/zinc/77/18/33/570771833.db2.gz PFBDEUZXIMQFID-FQEVSTJZSA-N 1 0 389.503 3.383 50 0 GGAARO C[C@@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027288 570777725 /nfs/dbraw/zinc/77/77/25/570777725.db2.gz UQHFWNXHGMDRFL-UZLBHIALSA-N 1 0 386.540 3.489 50 0 GGAARO C[C@@H](NC(=S)Nc1cccc(F)c1)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022027292 570778270 /nfs/dbraw/zinc/77/82/70/570778270.db2.gz UQHFWNXHGMDRFL-OXQOHEQNSA-N 1 0 386.540 3.489 50 0 GGAARO COc1ccccc1NC(=S)N[C@@H](C)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031507 570778555 /nfs/dbraw/zinc/77/85/55/570778555.db2.gz DAHNHJCGFXWVRJ-LAUBAEHRSA-N 1 0 398.576 3.359 50 0 GGAARO Cc1[nH+]c(N(C)C)nc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1C ZINC000067563292 570782006 /nfs/dbraw/zinc/78/20/06/570782006.db2.gz YTTYQVWWDJLJMA-UHFFFAOYSA-N 1 0 391.475 3.326 50 0 GGAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(=O)NC1CCCCC1 ZINC000004458517 570785471 /nfs/dbraw/zinc/78/54/71/570785471.db2.gz FDPFHRVMNMGKHU-UHFFFAOYSA-N 1 0 383.492 3.208 50 0 GGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)Nc2ccc(F)c(Cl)c2)[nH+]1 ZINC000036708091 570793274 /nfs/dbraw/zinc/79/32/74/570793274.db2.gz OTMPUCPSZVUBHC-UHFFFAOYSA-N 1 0 392.866 3.411 50 0 GGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000036708054 570793358 /nfs/dbraw/zinc/79/33/58/570793358.db2.gz CMRPXWHIFRYTFW-UHFFFAOYSA-N 1 0 393.413 3.246 50 0 GGAARO Cc1cc(N(C)C)nc(NCCNC(=O)Nc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000036708126 570793921 /nfs/dbraw/zinc/79/39/21/570793921.db2.gz KKCODTBTMXNXAH-UHFFFAOYSA-N 1 0 382.390 3.103 50 0 GGAARO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000025607608 570794315 /nfs/dbraw/zinc/79/43/15/570794315.db2.gz JPLUJYJGAFJULW-OAHLLOKOSA-N 1 0 397.922 3.431 50 0 GGAARO COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000005676839 570800097 /nfs/dbraw/zinc/80/00/97/570800097.db2.gz RDFFFRISCHHVNZ-MRXNPFEDSA-N 1 0 390.524 3.183 50 0 GGAARO CCOC(=O)CCC(=O)NCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000043991081 570852338 /nfs/dbraw/zinc/85/23/38/570852338.db2.gz MUCQVEOGQAZFQK-UHFFFAOYSA-N 1 0 378.538 3.080 50 0 GGAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)/C=C/c2ccco2)c1 ZINC000004711735 570857966 /nfs/dbraw/zinc/85/79/66/570857966.db2.gz OPGPOSZLBKXVBC-CSKARUKUSA-N 1 0 397.475 3.250 50 0 GGAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000004725455 570866044 /nfs/dbraw/zinc/86/60/44/570866044.db2.gz LIFXDLBLBJFAFB-UHFFFAOYSA-N 1 0 398.503 3.241 50 0 GGAARO CCc1c(C(=O)NCC[C@H]2CCC[N@@H+]2C)c(=O)cc(C)n1Cc1cccs1 ZINC000014973142 570867976 /nfs/dbraw/zinc/86/79/76/570867976.db2.gz HFDQQUIPUHWEDD-MRXNPFEDSA-N 1 0 387.549 3.043 50 0 GGAARO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000170613638 570871811 /nfs/dbraw/zinc/87/18/11/570871811.db2.gz MATIZKUBXGKERV-NQIIRXRSSA-N 1 0 396.535 3.317 50 0 GGAARO COCCc1nc2ccc(C(=O)N(C)CC3CC[NH+](CC(C)C)CC3)cc2o1 ZINC000012584325 570880497 /nfs/dbraw/zinc/88/04/97/570880497.db2.gz QCNURCNSXWXVFG-UHFFFAOYSA-N 1 0 387.524 3.457 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH+]3CCCCCC3)cc21 ZINC000003655841 570881697 /nfs/dbraw/zinc/88/16/97/570881697.db2.gz IIKRUGSPCFKOHE-QGZVFWFLSA-N 1 0 388.508 3.279 50 0 GGAARO Cc1nccn1C[C@H](C)[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072476883 570882408 /nfs/dbraw/zinc/88/24/08/570882408.db2.gz DSWUZADQTQMWMA-SFHVURJKSA-N 1 0 382.508 3.110 50 0 GGAARO CC(=O)N1CCCc2cc(-c3ccc(C(=O)NC[C@@H]4CCC[NH2+]4)cc3)ccc21 ZINC000534579025 570902484 /nfs/dbraw/zinc/90/24/84/570902484.db2.gz UOONSWDQPJSEOO-NRFANRHFSA-N 1 0 377.488 3.135 50 0 GGAARO CC[N@H+](C)C1(CNC(=O)N(CCO)Cc2ccccc2Cl)CCCCC1 ZINC000534581134 570903072 /nfs/dbraw/zinc/90/30/72/570903072.db2.gz MJOZTZJPTXUZEA-UHFFFAOYSA-N 1 0 381.948 3.499 50 0 GGAARO Cc1c[nH]c(CN(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000534586386 570904775 /nfs/dbraw/zinc/90/47/75/570904775.db2.gz CDRCLXOSQVSFSH-QGZVFWFLSA-N 1 0 375.904 3.350 50 0 GGAARO CNc1ccc(-c2cccc(C(=O)N(C)Cc3ccc4c(c3)C[N@@H+](C)C4)c2)cn1 ZINC000534590870 570906464 /nfs/dbraw/zinc/90/64/64/570906464.db2.gz OPFMRJMKSGRKJP-UHFFFAOYSA-N 1 0 386.499 3.430 50 0 GGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(Cc2cccnc2)CC1 ZINC000534591816 570906480 /nfs/dbraw/zinc/90/64/80/570906480.db2.gz ITBBXZDFIHRMIT-QFIPXVFZSA-N 1 0 378.520 3.320 50 0 GGAARO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023114562 570908088 /nfs/dbraw/zinc/90/80/88/570908088.db2.gz BFYNSHLIXOBNKL-ZKTHROLGSA-N 1 0 388.527 3.294 50 0 GGAARO Cc1nc2ccc(-c3ccc(C(=O)N(C)C[C@]4(C)CC[N@H+](C)C4)cc3)cn2n1 ZINC000534629724 570908810 /nfs/dbraw/zinc/90/88/10/570908810.db2.gz GMTXVWNAJXOWCG-JOCHJYFZSA-N 1 0 377.492 3.119 50 0 GGAARO CCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3nc4c(s3)CCCC4)[C@H]2C1 ZINC000534641748 570908886 /nfs/dbraw/zinc/90/88/86/570908886.db2.gz RDQOGJVIFACNMZ-CFLQYTFWSA-N 1 0 377.554 3.060 50 0 GGAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)c1ccc(-c2cncc(=O)[nH]2)cc1 ZINC000534645343 570909514 /nfs/dbraw/zinc/90/95/14/570909514.db2.gz AWYZAHOEIYZGNZ-UHFFFAOYSA-N 1 0 380.492 3.378 50 0 GGAARO O=S(=O)(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000023127633 570912745 /nfs/dbraw/zinc/91/27/45/570912745.db2.gz KWNWJICIYFUNAM-UHFFFAOYSA-N 1 0 380.460 3.155 50 0 GGAARO COc1ccc(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127717 570912880 /nfs/dbraw/zinc/91/28/80/570912880.db2.gz UCNYWSJUTWOEKL-UHFFFAOYSA-N 1 0 394.562 3.256 50 0 GGAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1C ZINC000023127617 570912965 /nfs/dbraw/zinc/91/29/65/570912965.db2.gz TVJJQQKEZGPHHO-UHFFFAOYSA-N 1 0 380.554 3.327 50 0 GGAARO Cc1cc(C)c(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1C ZINC000023127678 570912985 /nfs/dbraw/zinc/91/29/85/570912985.db2.gz VSJXJNLIJZOGDN-UHFFFAOYSA-N 1 0 376.522 3.395 50 0 GGAARO CCOc1ccc(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127688 570913000 /nfs/dbraw/zinc/91/30/00/570913000.db2.gz XRIZPSUKOSVZPS-UHFFFAOYSA-N 1 0 392.521 3.177 50 0 GGAARO CC(=O)c1sccc1-c1cccc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000534654484 570915164 /nfs/dbraw/zinc/91/51/64/570915164.db2.gz GZWISLGBNMAVBG-SFHVURJKSA-N 1 0 386.517 3.194 50 0 GGAARO CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2cccnc2)Cc2ccccc2OC)C1 ZINC000534667742 570920013 /nfs/dbraw/zinc/92/00/13/570920013.db2.gz NWWFBBMPRQDUBO-HXUWFJFHSA-N 1 0 382.508 3.286 50 0 GGAARO CCCOc1c(CNC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cccc1OC ZINC000534673705 570921529 /nfs/dbraw/zinc/92/15/29/570921529.db2.gz GASJTUDEWWDMAJ-INIZCTEOSA-N 1 0 375.513 3.252 50 0 GGAARO CCCOc1c(CNC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)cccc1OC ZINC000534673706 570921722 /nfs/dbraw/zinc/92/17/22/570921722.db2.gz GASJTUDEWWDMAJ-MRXNPFEDSA-N 1 0 375.513 3.252 50 0 GGAARO COC(=O)c1cc2ccc(-c3cccc(C(=O)NC[C@@H]4CCC[NH2+]4)c3)cc2[nH]1 ZINC000534674603 570922220 /nfs/dbraw/zinc/92/22/20/570922220.db2.gz QPENKERDNYYJKL-SFHVURJKSA-N 1 0 377.444 3.103 50 0 GGAARO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cccc(-n3cnnc3)c2)c1 ZINC000534674583 570922295 /nfs/dbraw/zinc/92/22/95/570922295.db2.gz CHEBVEIISNUEHH-KRWDZBQOSA-N 1 0 375.476 3.148 50 0 GGAARO CC(C)n1ccc(=NC(=O)N(C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH]1 ZINC000585138550 570950774 /nfs/dbraw/zinc/95/07/74/570950774.db2.gz AEXUBYIRKXIHJI-HDICACEKSA-N 1 0 399.539 3.159 50 0 GGAARO OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CC[N@@H+]1CCCc1ccccc1 ZINC000019219135 570962752 /nfs/dbraw/zinc/96/27/52/570962752.db2.gz NSBPRMHSUAOLOW-HXUWFJFHSA-N 1 0 396.560 3.193 50 0 GGAARO OCCn1nccc1C1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000195509367 570965456 /nfs/dbraw/zinc/96/54/56/570965456.db2.gz WRLIDUJVCBWTHN-UHFFFAOYSA-N 1 0 383.414 3.153 50 0 GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)nn1C ZINC000012229228 570972170 /nfs/dbraw/zinc/97/21/70/570972170.db2.gz RGQBHAPLNQIKRW-UHFFFAOYSA-N 1 0 375.473 3.076 50 0 GGAARO O=S(=O)(c1cccc(F)c1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000252507549 570978389 /nfs/dbraw/zinc/97/83/89/570978389.db2.gz WOHIZHFGGJWXIC-UHFFFAOYSA-N 1 0 378.513 3.101 50 0 GGAARO COc1ccc(CN2C(=O)C[C@@H]([NH+]3CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000004785290 570988981 /nfs/dbraw/zinc/98/89/81/570988981.db2.gz GYSVKBPUPRJWFJ-OAQYLSRUSA-N 1 0 378.472 3.202 50 0 GGAARO COc1ccccc1-c1noc(CCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000252538979 570992457 /nfs/dbraw/zinc/99/24/57/570992457.db2.gz NOYZZEFZYSALOA-AEFFLSMTSA-N 1 0 398.507 3.059 50 0 GGAARO COc1ccccc1-c1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n(C)n1 ZINC000252539689 570992753 /nfs/dbraw/zinc/99/27/53/570992753.db2.gz OJCSZXRGAQMWEK-APWZRJJASA-N 1 0 382.508 3.090 50 0 GGAARO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000007686991 571016090 /nfs/dbraw/zinc/01/60/90/571016090.db2.gz UVJISYHBNXUNMV-HNNXBMFYSA-N 1 0 390.505 3.341 50 0 GGAARO CCCCSc1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C)cn1 ZINC000095515376 571083541 /nfs/dbraw/zinc/08/35/41/571083541.db2.gz ZDIDUPFKOMENPD-UHFFFAOYSA-N 1 0 386.569 3.071 50 0 GGAARO CNc1cc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3OC)CC2)ccn1 ZINC000095516309 571083798 /nfs/dbraw/zinc/08/37/98/571083798.db2.gz BVRKHQYWIDPDGD-UHFFFAOYSA-N 1 0 396.535 3.159 50 0 GGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1OC ZINC000055099841 1406885129 /nfs/dbraw/zinc/88/51/29/1406885129.db2.gz ZRBRKQCUIBAZNT-INIZCTEOSA-N 1 0 381.432 3.335 50 0 GGAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC000055244045 1406910527 /nfs/dbraw/zinc/91/05/27/1406910527.db2.gz NGRXJRWJKHOGHZ-JOCHJYFZSA-N 1 0 382.508 3.203 50 0 GGAARO O=C(Nc1nc(-c2ccccc2)ns1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000055360799 1406939494 /nfs/dbraw/zinc/93/94/94/1406939494.db2.gz LFNDYBQSYMCFFN-UHFFFAOYSA-N 1 0 394.504 3.386 50 0 GGAARO CCOC(=O)N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000000756982 1398301029 /nfs/dbraw/zinc/30/10/29/1398301029.db2.gz HUDXRARXXRFSFJ-UHFFFAOYSA-N 1 0 385.430 3.448 50 0 GGAARO CCNc1ccc2c(cc1=O)[C@@H]([NH2+]C)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000002944421 1398321612 /nfs/dbraw/zinc/32/16/12/1398321612.db2.gz BSKKTUATLKRYJW-INIZCTEOSA-N 1 0 384.476 3.378 50 0 biogenic GGAARO NC(=O)CCn1cc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c2ccccc21 ZINC000055393388 1406946997 /nfs/dbraw/zinc/94/69/97/1406946997.db2.gz JTTWJTMKJRSNSH-OAQYLSRUSA-N 1 0 387.487 3.244 50 0 GGAARO COc1ccccc1[C@@]1(CC(=O)NCCC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000004085215 1398379513 /nfs/dbraw/zinc/37/95/13/1398379513.db2.gz HKVSQADDPABDML-IRLDBZIGSA-N 1 0 376.541 3.226 50 0 biogenic GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccccn1 ZINC000004271580 1398387896 /nfs/dbraw/zinc/38/78/96/1398387896.db2.gz ZUKMCTQKEIAETL-FQEVSTJZSA-N 1 0 391.471 3.383 50 0 GGAARO COc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000008613301 1398841805 /nfs/dbraw/zinc/84/18/05/1398841805.db2.gz VHSJQDWULROBTI-QFIPXVFZSA-N 1 0 398.503 3.426 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000008764870 1398846246 /nfs/dbraw/zinc/84/62/46/1398846246.db2.gz TXNKKGHFIPXTLT-HNNXBMFYSA-N 1 0 382.460 3.299 50 0 biogenic GGAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1F ZINC000008864268 1398847816 /nfs/dbraw/zinc/84/78/16/1398847816.db2.gz WPOYHDLYOKDFLL-KRWDZBQOSA-N 1 0 375.469 3.087 50 0 GGAARO O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893617 1398848914 /nfs/dbraw/zinc/84/89/14/1398848914.db2.gz QIQHGLHZKOPEAD-HXUWFJFHSA-N 1 0 399.560 3.140 50 0 GGAARO Cc1nc(-c2ccccc2)nc2sc3c(ncn(CCC[NH+](C)C)c3=O)c21 ZINC000008991423 1398851699 /nfs/dbraw/zinc/85/16/99/1398851699.db2.gz CBSIZRGEUWQQHN-UHFFFAOYSA-N 1 0 379.489 3.328 50 0 GGAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000009340370 1398856968 /nfs/dbraw/zinc/85/69/68/1398856968.db2.gz BKWMTIKYNRTBNH-UHFFFAOYSA-N 1 0 378.476 3.231 50 0 GGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2=O)c1OC ZINC000011667676 1399003091 /nfs/dbraw/zinc/00/30/91/1399003091.db2.gz MADQXKGMGMYUPA-HSZRJFAPSA-N 1 0 395.503 3.114 50 0 GGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2=O)c1OC ZINC000011667677 1399003147 /nfs/dbraw/zinc/00/31/47/1399003147.db2.gz MADQXKGMGMYUPA-QHCPKHFHSA-N 1 0 395.503 3.114 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc(=O)[nH]c4)C3)C2)c1 ZINC000011704168 1399005877 /nfs/dbraw/zinc/00/58/77/1399005877.db2.gz KLMHWEJNBNZZKA-QFIPXVFZSA-N 1 0 399.466 3.063 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000011766888 1399011173 /nfs/dbraw/zinc/01/11/73/1399011173.db2.gz YCVWQGIOVBYNSH-GOSISDBHSA-N 1 0 387.911 3.000 50 0 GGAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000011773334 1399011524 /nfs/dbraw/zinc/01/15/24/1399011524.db2.gz JXCHXEJFUSOPMG-FQEVSTJZSA-N 1 0 389.503 3.082 50 0 GGAARO Cc1cccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cccc(F)c4)O3)CC2)n1 ZINC000011785351 1399012289 /nfs/dbraw/zinc/01/22/89/1399012289.db2.gz JFMIOIFTVRSIOW-NRFANRHFSA-N 1 0 397.494 3.473 50 0 GGAARO O=C(c1cn([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)nn1)N1CCCCC1 ZINC000011787663 1399012440 /nfs/dbraw/zinc/01/24/40/1399012440.db2.gz AGGISFLXLXIIQN-OEMHODTASA-N 1 0 379.508 3.255 50 0 GGAARO O=C(NCc1cccnc1)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000011785631 1399012498 /nfs/dbraw/zinc/01/24/98/1399012498.db2.gz YBNYUBJAGLVVMF-KRWDZBQOSA-N 1 0 385.895 3.359 50 0 GGAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000011817577 1399014609 /nfs/dbraw/zinc/01/46/09/1399014609.db2.gz NCLQGXVLFJJSLM-INIZCTEOSA-N 1 0 380.448 3.013 50 0 GGAARO Cc1cc(C)n(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)n1 ZINC000011818167 1399014673 /nfs/dbraw/zinc/01/46/73/1399014673.db2.gz STAPQILYPHTHJP-LJQANCHMSA-N 1 0 386.515 3.052 50 0 GGAARO CN1CCC[C@H](C[N@H+](C)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)C1 ZINC000011910631 1399017427 /nfs/dbraw/zinc/01/74/27/1399017427.db2.gz HAWACBYPMPHUHC-ICSRJNTNSA-N 1 0 377.960 3.495 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2sccc2C)CC1 ZINC000011934976 1399018071 /nfs/dbraw/zinc/01/80/71/1399018071.db2.gz QNRCEKIFQFNTBC-GOSISDBHSA-N 1 0 380.554 3.036 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2sccc2C)CC1 ZINC000011934975 1399018142 /nfs/dbraw/zinc/01/81/42/1399018142.db2.gz QNRCEKIFQFNTBC-SFHVURJKSA-N 1 0 380.554 3.036 50 0 GGAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3c[nH]nc3C3CCCCC3)C2)no1 ZINC000011936695 1399018348 /nfs/dbraw/zinc/01/83/48/1399018348.db2.gz RPIVTBIEGYTXTK-INIZCTEOSA-N 1 0 385.512 3.396 50 0 GGAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCCOc2cccnc2)Cc2ccccc2O1 ZINC000011974145 1399021687 /nfs/dbraw/zinc/02/16/87/1399021687.db2.gz DARRJMCTZROTMP-OAQYLSRUSA-N 1 0 397.519 3.420 50 0 GGAARO CCOc1cccc(CN2CCOc3ccc(C4(O)CC[NH+](C)CC4)cc3C2)c1 ZINC000011971893 1399021743 /nfs/dbraw/zinc/02/17/43/1399021743.db2.gz NTWWJLVSZJBSHL-UHFFFAOYSA-N 1 0 396.531 3.393 50 0 GGAARO COCc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000011997329 1399023118 /nfs/dbraw/zinc/02/31/18/1399023118.db2.gz MNSSHYJQQWCXHU-NYDSKATKSA-N 1 0 396.487 3.373 50 0 GGAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000011996335 1399023175 /nfs/dbraw/zinc/02/31/75/1399023175.db2.gz PUHVFUGVIDQESO-FQEVSTJZSA-N 1 0 381.545 3.371 50 0 GGAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000011996336 1399023302 /nfs/dbraw/zinc/02/33/02/1399023302.db2.gz PUHVFUGVIDQESO-HXUWFJFHSA-N 1 0 381.545 3.371 50 0 GGAARO C[C@]1(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)NC(=O)NC1=O ZINC000012051050 1399025163 /nfs/dbraw/zinc/02/51/63/1399025163.db2.gz MBIKGUYMFIBXGO-HSZRJFAPSA-N 1 0 393.487 3.076 50 0 GGAARO CCC[NH+]1CCC([C@@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000012053143 1399026057 /nfs/dbraw/zinc/02/60/57/1399026057.db2.gz CTLCKIWHSDTOOV-JOCHJYFZSA-N 1 0 387.524 3.060 50 0 GGAARO COc1cc(C[C@H](C)[N@H+]2CCc3nnc(Cc4ccccc4)n3CC2)ccc1O ZINC000012080173 1399028091 /nfs/dbraw/zinc/02/80/91/1399028091.db2.gz HXJAXOABPLEJCM-KRWDZBQOSA-N 1 0 392.503 3.072 50 0 GGAARO C[N@H+](C1CCCCC1)[C@@H]1CCC(=O)N(CCS(=O)(=O)c2ccccc2)CC1 ZINC000012126504 1399030026 /nfs/dbraw/zinc/03/00/26/1399030026.db2.gz OIOWYINVFHHVPX-LJQANCHMSA-N 1 0 392.565 3.106 50 0 GGAARO C[N@H+](C1CCCCC1)[C@H]1CCC(=O)N(CCS(=O)(=O)c2ccccc2)CC1 ZINC000012126495 1399030225 /nfs/dbraw/zinc/03/02/25/1399030225.db2.gz OIOWYINVFHHVPX-IBGZPJMESA-N 1 0 392.565 3.106 50 0 GGAARO COC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)C[N@@H+](CCc1ccccc1)CCO2 ZINC000012166090 1399031501 /nfs/dbraw/zinc/03/15/01/1399031501.db2.gz NOGWTHACJIQFTB-QFIPXVFZSA-N 1 0 394.515 3.261 50 0 GGAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000012185056 1399032859 /nfs/dbraw/zinc/03/28/59/1399032859.db2.gz VBPXSQVFEPHGCF-INIZCTEOSA-N 1 0 390.487 3.228 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000012209566 1399033417 /nfs/dbraw/zinc/03/34/17/1399033417.db2.gz LKOPMOAIRRQLKQ-AWEZNQCLSA-N 1 0 381.973 3.357 50 0 GGAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cnc(N(C)C)s3)[N@H+]3CCC[C@@]23C1=O ZINC000012205579 1399033432 /nfs/dbraw/zinc/03/34/32/1399033432.db2.gz XWUBRHPPTLGECL-SPEDKVCISA-N 1 0 396.560 3.456 50 0 GGAARO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccc(OCCO)cc3)[N@H+]3CCC[C@@]123 ZINC000012209840 1399033657 /nfs/dbraw/zinc/03/36/57/1399033657.db2.gz ULARXORLKBFCOU-HARLFGEKSA-N 1 0 378.472 3.000 50 0 GGAARO Cc1ccn(CC(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)n1 ZINC000012299098 1399036600 /nfs/dbraw/zinc/03/66/00/1399036600.db2.gz JPSRVKGIOKRXFQ-UHFFFAOYSA-N 1 0 388.943 3.258 50 0 GGAARO CN(Cc1ccon1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012298230 1399036712 /nfs/dbraw/zinc/03/67/12/1399036712.db2.gz ATLNKWQLKNHBBZ-NRFANRHFSA-N 1 0 387.524 3.311 50 0 GGAARO Cn1cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012305963 1399037272 /nfs/dbraw/zinc/03/72/72/1399037272.db2.gz XLENOVQUSQBMCE-FQEVSTJZSA-N 1 0 399.926 3.420 50 0 GGAARO O=C(NC[C@H]1CCCO1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012304113 1399037377 /nfs/dbraw/zinc/03/73/77/1399037377.db2.gz FVAOYQPTIIHYRX-HXUWFJFHSA-N 1 0 395.503 3.034 50 0 GGAARO COc1ccc(C(=O)NCCc2ccncc2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012304939 1399037574 /nfs/dbraw/zinc/03/75/74/1399037574.db2.gz XLVPFPKWKZWMNS-UHFFFAOYSA-N 1 0 397.519 3.314 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C)nc3)C2)cc1OC ZINC000012314532 1399038299 /nfs/dbraw/zinc/03/82/99/1399038299.db2.gz PFJIEJZXLWOWCB-FQEVSTJZSA-N 1 0 397.519 3.186 50 0 GGAARO CN(C(=O)c1cc2c([nH]c1=O)CCCC2)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012373092 1399040167 /nfs/dbraw/zinc/04/01/67/1399040167.db2.gz MRCUMFAWBIVXES-GOSISDBHSA-N 1 0 397.494 3.129 50 0 GGAARO COCc1ccc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000012387665 1399040857 /nfs/dbraw/zinc/04/08/57/1399040857.db2.gz MVAVIRXFBSATGC-OHEPNIRZSA-N 1 0 382.460 3.377 50 0 GGAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cc1 ZINC000012432561 1399041973 /nfs/dbraw/zinc/04/19/73/1399041973.db2.gz RVHVIXGZLRRSON-LJQANCHMSA-N 1 0 382.508 3.125 50 0 GGAARO CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)cc1 ZINC000012431095 1399042145 /nfs/dbraw/zinc/04/21/45/1399042145.db2.gz RLSZECFMUPEUIX-HSZRJFAPSA-N 1 0 379.504 3.495 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)c1[nH]nc2ccccc21 ZINC000012433302 1399042161 /nfs/dbraw/zinc/04/21/61/1399042161.db2.gz RYLVSQSVZNENJU-KRWDZBQOSA-N 1 0 390.487 3.140 50 0 GGAARO O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC([NH+]2CCCC2)CC1 ZINC000012439309 1399043044 /nfs/dbraw/zinc/04/30/44/1399043044.db2.gz KHNMIQYVBRKTIA-UHFFFAOYSA-N 1 0 389.503 3.180 50 0 GGAARO Cc1ccc2nc(C(=O)N3CCC[C@@H]([N@H+](C)CCc4ccccc4)C3)cn2c1 ZINC000012444904 1399043136 /nfs/dbraw/zinc/04/31/36/1399043136.db2.gz QFKMJAWNYHLVPZ-HXUWFJFHSA-N 1 0 376.504 3.422 50 0 GGAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cnc2ccccc2c1 ZINC000012437768 1399043234 /nfs/dbraw/zinc/04/32/34/1399043234.db2.gz YCLOYMPNDPEAFP-QHCPKHFHSA-N 1 0 381.520 3.258 50 0 GGAARO COCC[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(C)=O)CC1 ZINC000012455411 1399044068 /nfs/dbraw/zinc/04/40/68/1399044068.db2.gz WMTUWGZUCKERET-XMMPIXPASA-N 1 0 395.547 3.400 50 0 GGAARO COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)no2)c(Cl)c1 ZINC000012583237 1399048733 /nfs/dbraw/zinc/04/87/33/1399048733.db2.gz IUNWVVWYXAURBQ-CYBMUJFWSA-N 1 0 393.871 3.082 50 0 GGAARO O[C@@H](COc1ccc(Cl)cc1CN1CCCCO1)C[NH+]1CCCCCC1 ZINC000012588239 1399049109 /nfs/dbraw/zinc/04/91/09/1399049109.db2.gz CTBHWBRDGVCEAU-LJQANCHMSA-N 1 0 382.932 3.483 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000012612629 1399050410 /nfs/dbraw/zinc/05/04/10/1399050410.db2.gz WGOKHRFWPRJGHI-NRFANRHFSA-N 1 0 389.584 3.496 50 0 GGAARO CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OCC[NH+](C)C)cc1 ZINC000012653477 1399051737 /nfs/dbraw/zinc/05/17/37/1399051737.db2.gz TZFWWIRHRRIGBZ-LTGZKZEYSA-N 1 0 396.487 3.350 50 0 biogenic GGAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702020 1399054124 /nfs/dbraw/zinc/05/41/24/1399054124.db2.gz HGLOUMBKNWBSJR-OAQYLSRUSA-N 1 0 388.943 3.460 50 0 GGAARO CN(C(=O)CCN1CCCCCC1=O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012708661 1399054865 /nfs/dbraw/zinc/05/48/65/1399054865.db2.gz ZGOFCEVGRMRDSY-JOCHJYFZSA-N 1 0 399.579 3.335 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000012717738 1399055437 /nfs/dbraw/zinc/05/54/37/1399055437.db2.gz HBGMRJSFHWVKAE-AWEZNQCLSA-N 1 0 397.397 3.487 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCn1cccn1 ZINC000012712433 1399055819 /nfs/dbraw/zinc/05/58/19/1399055819.db2.gz JVOTXPRWECIPTL-HXUWFJFHSA-N 1 0 386.515 3.216 50 0 GGAARO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc(OC)c1 ZINC000012748482 1399057711 /nfs/dbraw/zinc/05/77/11/1399057711.db2.gz NIXFADDAGXXKOW-INIZCTEOSA-N 1 0 376.497 3.314 50 0 GGAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC)cc1)C2 ZINC000014539943 1399109684 /nfs/dbraw/zinc/10/96/84/1399109684.db2.gz PYWBDHYLUOFADV-GOSISDBHSA-N 1 0 396.535 3.185 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(C)c1)C2 ZINC000014742456 1399117802 /nfs/dbraw/zinc/11/78/02/1399117802.db2.gz NFBRSMKQXNQENE-LJQANCHMSA-N 1 0 380.536 3.485 50 0 GGAARO CCCCNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)C[N@H+](Cc2ccncc2)C1 ZINC000014741976 1399117810 /nfs/dbraw/zinc/11/78/10/1399117810.db2.gz XOHUYQXNGMPWKK-LEWJYISDSA-N 1 0 396.535 3.218 50 0 GGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccn1)C2 ZINC000014742358 1399117819 /nfs/dbraw/zinc/11/78/19/1399117819.db2.gz ADNHAJKXXNVKEY-LJQANCHMSA-N 1 0 395.551 3.004 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccc4ccccc4c3)C2)CC1 ZINC000014950296 1399128888 /nfs/dbraw/zinc/12/88/88/1399128888.db2.gz YAOUKAZRTNCMNE-JOCHJYFZSA-N 1 0 379.548 3.305 50 0 GGAARO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000014978342 1399129389 /nfs/dbraw/zinc/12/93/89/1399129389.db2.gz KVJWTIWUPZVNKI-NRFANRHFSA-N 1 0 397.563 3.066 50 0 GGAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000014979443 1399129408 /nfs/dbraw/zinc/12/94/08/1399129408.db2.gz QPGLYEZPOUPLHH-FQEVSTJZSA-N 1 0 384.568 3.161 50 0 GGAARO Cc1noc(C)c1CC(=O)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014977281 1399129415 /nfs/dbraw/zinc/12/94/15/1399129415.db2.gz GQWOSHMVJXCCIV-IRLDBZIGSA-N 1 0 381.520 3.390 50 0 GGAARO CCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1ccc(C)c(C)c1)CC2)C(C)C ZINC000014991070 1399130213 /nfs/dbraw/zinc/13/02/13/1399130213.db2.gz GUQQNEQIRAKYRT-NRFANRHFSA-N 1 0 383.540 3.177 50 0 GGAARO CCCCNC(=O)c1sc2ncnc(NCC[NH+]3CCCCC3)c2c1C ZINC000015006610 1399131547 /nfs/dbraw/zinc/13/15/47/1399131547.db2.gz OXFLVGPNKALWKN-UHFFFAOYSA-N 1 0 375.542 3.427 50 0 GGAARO O=C(NCCc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000015074181 1399136543 /nfs/dbraw/zinc/13/65/43/1399136543.db2.gz XDGGBJNLIDCYNI-HSZRJFAPSA-N 1 0 392.547 3.225 50 0 GGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cnn(C)c4C)C3)C2)c1OC ZINC000015074419 1399136645 /nfs/dbraw/zinc/13/66/45/1399136645.db2.gz AWBSNXLYHWCNNK-HSZRJFAPSA-N 1 0 398.551 3.234 50 0 GGAARO CC[C@@H]1CN(C(=O)c2ccc(NCc3ncccc3C)nc2)CC[N@@H+]1C(C)C ZINC000019222480 1399328506 /nfs/dbraw/zinc/32/85/06/1399328506.db2.gz UGTWPOXRFTWUJI-LJQANCHMSA-N 1 0 381.524 3.342 50 0 GGAARO Cc1nnsc1C(=O)N1CCC[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]21 ZINC000019336167 1399329879 /nfs/dbraw/zinc/32/98/79/1399329879.db2.gz BCRJGMMFNAGEDM-MOPGFXCFSA-N 1 0 384.549 3.406 50 0 GGAARO [NH3+]CC(=O)N1CCC[C@@H]1c1ccc(C(=O)Nc2cccc3cnccc32)s1 ZINC000019607910 1399332845 /nfs/dbraw/zinc/33/28/45/1399332845.db2.gz JNCCYODFGWRRDS-MRXNPFEDSA-N 1 0 380.473 3.171 50 0 GGAARO CSc1cccc(NC(=O)c2ccc([C@@H]3CCCN3C(=O)C[NH3+])s2)c1 ZINC000019721087 1399337172 /nfs/dbraw/zinc/33/71/72/1399337172.db2.gz UNRYOAROXKDVCX-AWEZNQCLSA-N 1 0 375.519 3.345 50 0 GGAARO COCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000019788794 1399338806 /nfs/dbraw/zinc/33/88/06/1399338806.db2.gz OMCICJKBZYGSAR-HXUWFJFHSA-N 1 0 376.460 3.315 50 0 GGAARO CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CC1CC1)C3 ZINC000019839094 1399338919 /nfs/dbraw/zinc/33/89/19/1399338919.db2.gz IYCLDQGGXIQLQH-OAHLLOKOSA-N 1 0 375.538 3.130 50 0 GGAARO COc1ccccc1-n1cc(-c2ccnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2)cn1 ZINC000019866190 1399339406 /nfs/dbraw/zinc/33/94/06/1399339406.db2.gz JBPPVIMHRPDAHV-GOSISDBHSA-N 1 0 390.491 3.012 50 0 GGAARO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000019925775 1399339649 /nfs/dbraw/zinc/33/96/49/1399339649.db2.gz WJERNBPESZSBEU-NRFANRHFSA-N 1 0 381.476 3.041 50 0 GGAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207473 1399343398 /nfs/dbraw/zinc/34/33/98/1399343398.db2.gz STTYNTMUXOKOMU-INIZCTEOSA-N 1 0 386.927 3.177 50 0 GGAARO Fc1ccc(-n2cc(C[N@H+]3CCc4nnc(-c5ccccc5)n4CC3)cn2)cc1 ZINC000020601027 1399350085 /nfs/dbraw/zinc/35/00/85/1399350085.db2.gz OCOLPNNYYNSPPU-UHFFFAOYSA-N 1 0 388.450 3.328 50 0 GGAARO CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762426 1399353097 /nfs/dbraw/zinc/35/30/97/1399353097.db2.gz RKBQDLCMQFHCOX-XLIONFOSSA-N 1 0 381.524 3.075 50 0 biogenic GGAARO Cc1cc(-c2nnc(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)o2)c(C)o1 ZINC000020780614 1399353253 /nfs/dbraw/zinc/35/32/53/1399353253.db2.gz IPAKMZIFLNFQTQ-UHFFFAOYSA-N 1 0 386.496 3.356 50 0 GGAARO Cc1ncc2c(c1-c1noc(Cn3c4ccccc4nc3C3CC3)n1)CC[NH2+]C2 ZINC000020861065 1399354943 /nfs/dbraw/zinc/35/49/43/1399354943.db2.gz UBPHPUZBZZEXLK-UHFFFAOYSA-N 1 0 386.459 3.361 50 0 GGAARO OCC[C@@H]1CN(Cc2cccc3cnccc32)CC[N@@H+]1CCc1ccccc1 ZINC000020908841 1399356907 /nfs/dbraw/zinc/35/69/07/1399356907.db2.gz MHJXOBWEFUDAKV-HSZRJFAPSA-N 1 0 375.516 3.346 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020999287 1399360256 /nfs/dbraw/zinc/36/02/56/1399360256.db2.gz PBRUSZXSWUKZRV-JOCHJYFZSA-N 1 0 378.520 3.313 50 0 GGAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3c(C)n(C)c4ccccc34)C2)CC1 ZINC000020998425 1399360502 /nfs/dbraw/zinc/36/05/02/1399360502.db2.gz KKWPMDGHRSNFMS-IBGZPJMESA-N 1 0 398.551 3.225 50 0 GGAARO Cn1cc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000021698260 1399401708 /nfs/dbraw/zinc/40/17/08/1399401708.db2.gz MZUNWOUMMVIIEP-LJQANCHMSA-N 1 0 398.894 3.189 50 0 GGAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3cccn3-c3ncccn3)C2)c1 ZINC000022851384 1399511240 /nfs/dbraw/zinc/51/12/40/1399511240.db2.gz KJTPGCRLRNKJKS-IBGZPJMESA-N 1 0 377.492 3.030 50 0 GGAARO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nc(C3CCCC3)cc(=O)[nH]2)c1 ZINC000023250391 1399544262 /nfs/dbraw/zinc/54/42/62/1399544262.db2.gz TTYWLXKVVMCQKJ-FQEVSTJZSA-N 1 0 394.519 3.195 50 0 GGAARO Cc1c(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281275 1399547085 /nfs/dbraw/zinc/54/70/85/1399547085.db2.gz BRHJFLOMKWLQOC-UHFFFAOYSA-N 1 0 390.531 3.423 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1 ZINC000023358551 1399552876 /nfs/dbraw/zinc/55/28/76/1399552876.db2.gz QKHVEIDKQCAJLZ-HKUYNNGSSA-N 1 0 393.865 3.097 50 0 GGAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)CN1C(C)C ZINC000023361379 1399553118 /nfs/dbraw/zinc/55/31/18/1399553118.db2.gz QGWUXEXQCMLENT-PKTZIBPZSA-N 1 0 395.547 3.057 50 0 GGAARO C[C@@H]1C[N@H+](C)CCCN1Cc1ccccc1-c1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000023398866 1399556849 /nfs/dbraw/zinc/55/68/49/1399556849.db2.gz LBLNETMRONAJIA-QGZVFWFLSA-N 1 0 389.503 3.025 50 0 GGAARO CCCC[N@@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccc(C)[nH]c3=O)n2)C1 ZINC000023478481 1399563331 /nfs/dbraw/zinc/56/33/31/1399563331.db2.gz NNLUSWOSGJKWCT-UHFFFAOYSA-N 1 0 379.464 3.262 50 0 GGAARO Cc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)C[C@@H]2COc3ccccc3O2)n1 ZINC000023505922 1399566569 /nfs/dbraw/zinc/56/65/69/1399566569.db2.gz AYVVDDIIGLACQC-QGZVFWFLSA-N 1 0 377.444 3.017 50 0 GGAARO Cc1cccnc1NCC[NH2+]C1CCN(c2ccc(N3CCCC3=O)cc2)CC1 ZINC000023581943 1399572328 /nfs/dbraw/zinc/57/23/28/1399572328.db2.gz IONAEERSOYBPHK-UHFFFAOYSA-N 1 0 393.535 3.187 50 0 GGAARO Cc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCC[C@H](Oc4ccccn4)C3)c2)n1 ZINC000023581601 1399572354 /nfs/dbraw/zinc/57/23/54/1399572354.db2.gz DNSWYHDUTKYCMX-IBGZPJMESA-N 1 0 376.460 3.184 50 0 GGAARO COC(=O)[C@@]1(c2ccc(C)cc2)C[C@H]1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000028635561 1400178989 /nfs/dbraw/zinc/17/89/89/1400178989.db2.gz BDSYECBSUUOPCT-XUZZJYLKSA-N 1 0 379.500 3.409 50 0 in-vitro GGAARO COc1ccccc1-c1n[nH]c2c1CN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC000048170817 1405083977 /nfs/dbraw/zinc/08/39/77/1405083977.db2.gz GBZGZBZDGGKXSH-UHFFFAOYSA-N 1 0 390.487 3.345 50 0 GGAARO O=c1cc(CCn2cccn2)nc(-c2ccc(C[NH+]3CCCCCC3)cc2)[nH]1 ZINC000048436041 1405189998 /nfs/dbraw/zinc/18/99/98/1405189998.db2.gz BFRUUBQOEPGLMV-UHFFFAOYSA-N 1 0 377.492 3.252 50 0 GGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)cc1 ZINC000048488482 1405205221 /nfs/dbraw/zinc/20/52/21/1405205221.db2.gz VUKTZCMIGIBVRH-QGZVFWFLSA-N 1 0 377.492 3.251 50 0 GGAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc(O)cc1O2 ZINC000057129047 1407531077 /nfs/dbraw/zinc/53/10/77/1407531077.db2.gz AJRKBXAKPJZCGJ-GOSISDBHSA-N 1 0 380.448 3.289 50 0 GGAARO Cc1ccc2nc(CNC(=O)N3CCC[N@H+](Cc4cccs4)CC3)cn2c1 ZINC000057223670 1407560451 /nfs/dbraw/zinc/56/04/51/1407560451.db2.gz ZOXCNZUKDDZCAI-UHFFFAOYSA-N 1 0 383.521 3.122 50 0 GGAARO Cc1ccc2c(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063833282 1408423086 /nfs/dbraw/zinc/42/30/86/1408423086.db2.gz KXWNZXOUDKGXNK-GOSISDBHSA-N 1 0 391.519 3.418 50 0 GGAARO Cc1ncc(CO)c(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1O ZINC000065410105 1408665550 /nfs/dbraw/zinc/66/55/50/1408665550.db2.gz DRUPNKCCEDKPBT-RBBKRZOGSA-N 1 0 378.472 3.092 50 0 GGAARO OC[C@@H]1CCCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072470620 1409849757 /nfs/dbraw/zinc/84/97/57/1409849757.db2.gz KHRLYUGSMLXUPQ-MRXNPFEDSA-N 1 0 386.927 3.008 50 0 GGAARO Cn1cc([C@H](CNC(=O)/C=C/c2ccc3c(c2)OCO3)[NH+](C)C)c2ccccc21 ZINC000077171662 1409893792 /nfs/dbraw/zinc/89/37/92/1409893792.db2.gz PFEWYKODEMJTFZ-BQYDLMEBSA-N 1 0 391.471 3.339 50 0 GGAARO Cc1cc(C(=O)N(Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)[nH]c1C ZINC000102418435 1410625275 /nfs/dbraw/zinc/62/52/75/1410625275.db2.gz KMGJPPNQGAPERU-PMOLBWCYSA-N 1 0 379.504 3.259 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@H]2CCO)c1 ZINC000104420902 1410895673 /nfs/dbraw/zinc/89/56/73/1410895673.db2.gz JMXRZGJLGSRJEV-JOCHJYFZSA-N 1 0 391.515 3.312 50 0 GGAARO COc1ccccc1CCNC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000111233754 1411896941 /nfs/dbraw/zinc/89/69/41/1411896941.db2.gz GDOGJCRQGNYTRM-UHFFFAOYSA-N 1 0 392.503 3.110 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 ZINC000207621403 1433354962 /nfs/dbraw/zinc/35/49/62/1433354962.db2.gz XZXVXMKHDPZYJU-APWZRJJASA-N 1 0 393.865 3.097 50 0 GGAARO COc1ccc(-n2ncc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2C)cc1 ZINC000230203929 1433372718 /nfs/dbraw/zinc/37/27/18/1433372718.db2.gz VFDCJOLMWUQVJV-UTKZUKDTSA-N 1 0 382.508 3.184 50 0 biogenic GGAARO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)N[C@H](C)c1ccccc1 ZINC000253487705 1433867967 /nfs/dbraw/zinc/86/79/67/1433867967.db2.gz OILOJSRFFAWWFA-DVRVPYBTSA-N 1 0 393.531 3.109 50 0 GGAARO CCOC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000253487653 1433867985 /nfs/dbraw/zinc/86/79/85/1433867985.db2.gz NGNDKPBQSHRIRV-RNXXAXEJSA-N 1 0 390.524 3.075 50 0 GGAARO COc1cccc2c1OC[C@H](C(=O)NCc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000091694028 230967449 /nfs/dbraw/zinc/96/74/49/230967449.db2.gz KJVAFUMRGNZDBW-HXUWFJFHSA-N 1 0 380.488 3.159 50 0 GGAARO Cc1cc(C)c2c(ncnc2NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)n1 ZINC000095365955 230978194 /nfs/dbraw/zinc/97/81/94/230978194.db2.gz GLDSHRPMIZLZPX-UHFFFAOYSA-N 1 0 379.512 3.312 50 0 GGAARO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426395153 231213878 /nfs/dbraw/zinc/21/38/78/231213878.db2.gz IXDOFXJWDOVNQR-XZOQPEGZSA-N 1 0 375.516 3.427 50 0 GGAARO C[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000426398068 231215166 /nfs/dbraw/zinc/21/51/66/231215166.db2.gz PLIOVWJKUCLIFX-NRFANRHFSA-N 1 0 382.508 3.034 50 0 GGAARO CN(Cc1cc[nH]n1)C(=O)c1ccc(-c2ccccc2OCC[NH+](C)C)cc1 ZINC000426434476 231221263 /nfs/dbraw/zinc/22/12/63/231221263.db2.gz NYWMJYRDTIOULQ-UHFFFAOYSA-N 1 0 378.476 3.289 50 0 GGAARO Cc1cc(C)n(CCCN(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000426443059 231221706 /nfs/dbraw/zinc/22/17/06/231221706.db2.gz UDPYQCSAUOKMRH-NRFANRHFSA-N 1 0 383.540 3.196 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000409414776 231204038 /nfs/dbraw/zinc/20/40/38/231204038.db2.gz WRVCFCAGGBWLAG-QFBILLFUSA-N 1 0 386.496 3.023 50 0 biogenic GGAARO COc1cc2cc(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)n(C)c2cc1OC ZINC000409414323 231204228 /nfs/dbraw/zinc/20/42/28/231204228.db2.gz KLVBMDWGNYAGME-UHFFFAOYSA-N 1 0 397.475 3.388 50 0 GGAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426370512 231208460 /nfs/dbraw/zinc/20/84/60/231208460.db2.gz MMQSHSWKKKZIJG-NRFANRHFSA-N 1 0 377.488 3.412 50 0 GGAARO Cc1cnc(CSc2nnc(C[NH3+])n2-c2cccc(C(F)(F)F)c2)cn1 ZINC000426372546 231210415 /nfs/dbraw/zinc/21/04/15/231210415.db2.gz YZKHBYUHLUIZHQ-UHFFFAOYSA-N 1 0 380.399 3.136 50 0 GGAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C1 ZINC000426379671 231211527 /nfs/dbraw/zinc/21/15/27/231211527.db2.gz KBJCHGXBFZPQMM-HXUWFJFHSA-N 1 0 376.859 3.285 50 0 GGAARO CO[C@]12CC[N@H+](CCn3c4ccccc4oc3=O)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426387176 231212867 /nfs/dbraw/zinc/21/28/67/231212867.db2.gz XYPVQHMXWGWUJS-RBDMOPTHSA-N 1 0 386.492 3.033 50 0 GGAARO Cc1cc(-c2ccc(C(=O)NC[C@H]3C[NH2+]CCO3)cc2)nc2cc(F)ccc12 ZINC000426394452 231213053 /nfs/dbraw/zinc/21/30/53/231213053.db2.gz AVOYHCXEZFXYHI-GOSISDBHSA-N 1 0 379.435 3.068 50 0 GGAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000426471323 231224988 /nfs/dbraw/zinc/22/49/88/231224988.db2.gz HQJQAHRBSFTTKT-LJQANCHMSA-N 1 0 382.508 3.126 50 0 GGAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000426508158 231231087 /nfs/dbraw/zinc/23/10/87/231231087.db2.gz XGDCMLLPQJULMT-QGZVFWFLSA-N 1 0 378.904 3.074 50 0 GGAARO O=C(c1onc2c1CCCC2)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000426517539 231233703 /nfs/dbraw/zinc/23/37/03/231233703.db2.gz GCNZZGGTIBJKSA-CEWLAPEOSA-N 1 0 377.488 3.256 50 0 GGAARO Cc1cnc(C)c(-c2ccc(C(=O)N3CCN(c4cc[nH+]cc4C)CC3)cc2)n1 ZINC000426545078 231238223 /nfs/dbraw/zinc/23/82/23/231238223.db2.gz NIUKQHYCXKTMAN-UHFFFAOYSA-N 1 0 387.487 3.426 50 0 GGAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551956 231241567 /nfs/dbraw/zinc/24/15/67/231241567.db2.gz IYNUTPAIPYOTDB-FHHGHWCOSA-N 1 0 383.515 3.443 50 0 GGAARO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc2sc(N)nc21 ZINC000426465546 231223094 /nfs/dbraw/zinc/22/30/94/231223094.db2.gz ZYADOBBLDJBOAT-NRFANRHFSA-N 1 0 384.549 3.355 50 0 GGAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3ccc4ncccc4c3)cc2)C1 ZINC000426465403 231223388 /nfs/dbraw/zinc/22/33/88/231223388.db2.gz CDDXTNIQPXHVKZ-QHCPKHFHSA-N 1 0 375.472 3.040 50 0 GGAARO Cc1nnc(-c2ccccc2-c2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)c2)o1 ZINC000426470475 231223847 /nfs/dbraw/zinc/22/38/47/231223847.db2.gz BFADXCAESDXDJE-SFHVURJKSA-N 1 0 376.460 3.488 50 0 GGAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426674054 231252030 /nfs/dbraw/zinc/25/20/30/231252030.db2.gz KUJYATXYSIQCQV-INIZCTEOSA-N 1 0 380.492 3.234 50 0 GGAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000426691116 231253278 /nfs/dbraw/zinc/25/32/78/231253278.db2.gz BILLFZDPJZCMDY-QGZVFWFLSA-N 1 0 384.499 3.117 50 0 GGAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426715896 231255429 /nfs/dbraw/zinc/25/54/29/231255429.db2.gz KYNBMEFOVDKJHM-QGZVFWFLSA-N 1 0 377.488 3.269 50 0 GGAARO CN(C)C(=O)CNC(=O)c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000426740410 231256362 /nfs/dbraw/zinc/25/63/62/231256362.db2.gz IHTMKSQOWCBNSW-UHFFFAOYSA-N 1 0 379.504 3.158 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426386982 529642938 /nfs/dbraw/zinc/64/29/38/529642938.db2.gz AOSXXXJPWQUPGB-QGZVFWFLSA-N 1 0 398.576 3.075 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[NH2+][C@@H](CC)C4)csc3C2)nc1 ZINC000426403529 529643087 /nfs/dbraw/zinc/64/30/87/529643087.db2.gz PLIGNULGQZMIQK-KRWDZBQOSA-N 1 0 398.576 3.088 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CC[NH2+][C@H](CC)C4)csc3C2)nc1 ZINC000426403531 529643150 /nfs/dbraw/zinc/64/31/50/529643150.db2.gz PLIGNULGQZMIQK-QGZVFWFLSA-N 1 0 398.576 3.088 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)NC4CC[NH+](C)CC4)csc3C2)nc1 ZINC000426435259 529643360 /nfs/dbraw/zinc/64/33/60/529643360.db2.gz CCJIHANUPOIIPO-UHFFFAOYSA-N 1 0 398.576 3.088 50 0 GGAARO CCc1ccc(CN2CCc3c(C(=O)N4CCC(C[NH3+])CC4)csc3C2)nc1 ZINC000426597323 529643634 /nfs/dbraw/zinc/64/36/34/529643634.db2.gz ZONKHOOOJUALKP-UHFFFAOYSA-N 1 0 398.576 3.075 50 0 GGAARO Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000225415599 222677100 /nfs/dbraw/zinc/67/71/00/222677100.db2.gz TWUMQFHYDVBGEA-YLJYHZDGSA-N 1 0 398.555 3.465 50 0 biogenic GGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCc1cn2ccsc2n1 ZINC000426387913 530001506 /nfs/dbraw/zinc/00/15/06/530001506.db2.gz ZBKJGIGUBSHJDK-UHFFFAOYSA-N 1 0 383.521 3.333 50 0 GGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCc1ccc2nonc2c1 ZINC000426574696 530001605 /nfs/dbraw/zinc/00/16/05/530001605.db2.gz IZZKEFQCRDHUPM-UHFFFAOYSA-N 1 0 379.464 3.160 50 0 GGAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)NCCCn1ncc2ccccc21 ZINC000426389522 529991199 /nfs/dbraw/zinc/99/11/99/529991199.db2.gz WKFKVKUMGFRUSJ-UHFFFAOYSA-N 1 0 377.492 3.213 50 0 GGAARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cccc3nonc31)CC2 ZINC000426515545 530046281 /nfs/dbraw/zinc/04/62/81/530046281.db2.gz OWNUDTGJXLXDIB-GOSISDBHSA-N 1 0 376.460 3.203 50 0 GGAARO O=C(CC[NH+]1CCC(Cc2noc(C3CC3)n2)CC1)NCc1ccccc1F ZINC000244795024 222726068 /nfs/dbraw/zinc/72/60/68/222726068.db2.gz QYFCNDCWLIGLFD-UHFFFAOYSA-N 1 0 386.471 3.047 50 0 GGAARO Cc1ccc(NC(=O)CC[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)cc1F ZINC000252483506 222732551 /nfs/dbraw/zinc/73/25/51/222732551.db2.gz FCUTVPMQYAWMGL-UHFFFAOYSA-N 1 0 375.488 3.187 50 0 GGAARO O=C(c1cccc(-c2ccc(O)c(CO)c2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000299763957 222785586 /nfs/dbraw/zinc/78/55/86/222785586.db2.gz HXAHXUVREPDTKZ-UHFFFAOYSA-N 1 0 380.488 3.252 50 0 GGAARO O=C(c1ccc(N2CCC([NH2+]C3CCCCC3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000299771615 222787335 /nfs/dbraw/zinc/78/73/35/222787335.db2.gz UYJJAFBIDFLALE-JOCHJYFZSA-N 1 0 385.552 3.175 50 0 GGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2nc3ccccc3n2C)c1 ZINC000299793658 222791406 /nfs/dbraw/zinc/79/14/06/222791406.db2.gz IFBFGIYZOIACJW-GOSISDBHSA-N 1 0 392.503 3.253 50 0 GGAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+](C(C)C)[C@H](CC)C3)nc2)on1 ZINC000039518765 535396802 /nfs/dbraw/zinc/39/68/02/535396802.db2.gz VVQKBNWKVJMFNK-LJQANCHMSA-N 1 0 399.539 3.261 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH2+]Cc3ccccc3)cc21 ZINC000001854239 212259040 /nfs/dbraw/zinc/25/90/40/212259040.db2.gz XFOFRJHLQZXTAG-SFHVURJKSA-N 1 0 396.487 3.193 50 0 GGAARO COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010333696 212247905 /nfs/dbraw/zinc/24/79/05/212247905.db2.gz ZKRHKYUIQAXZCH-NRFANRHFSA-N 1 0 391.471 3.206 50 0 GGAARO Cc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000001473029 212247875 /nfs/dbraw/zinc/24/78/75/212247875.db2.gz YGHFZWJEXOQQJM-UHFFFAOYSA-N 1 0 376.508 3.248 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1)c1cccc2ccccc21 ZINC000010333631 212247521 /nfs/dbraw/zinc/24/75/21/212247521.db2.gz QVGXBVDVIXDHHC-FQEVSTJZSA-N 1 0 379.435 3.337 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C)cc2)N(CC[NH+](C)C)C1=O ZINC000010233187 212239164 /nfs/dbraw/zinc/23/91/64/212239164.db2.gz ZGEWRXOJGJRNGO-HXUWFJFHSA-N 1 0 392.455 3.217 50 0 GGAARO CCOC(=O)[C@@]1(Cc2ccccc2)c2ccccc2N(CCC[NH+](C)C)C1=O ZINC000000984165 212200620 /nfs/dbraw/zinc/20/06/20/212200620.db2.gz FVVDUGXSDYFBAC-QHCPKHFHSA-N 1 0 380.488 3.029 50 0 GGAARO Cc1ccccc1S(=O)(=O)N(C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000000864144 212190890 /nfs/dbraw/zinc/19/08/90/212190890.db2.gz MKBRMWNQVUSPSU-FQEVSTJZSA-N 1 0 388.533 3.037 50 0 GGAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccnc1)N(CCC[NH+](C)C)C3=O ZINC000009328306 212181557 /nfs/dbraw/zinc/18/15/57/212181557.db2.gz SVKSVTMBLRAQAU-FQEVSTJZSA-N 1 0 391.471 3.302 50 0 GGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(OC)c1OC ZINC000000819242 212185126 /nfs/dbraw/zinc/18/51/26/212185126.db2.gz YPRUHHVZZFEGKF-INIZCTEOSA-N 1 0 390.524 3.183 50 0 GGAARO COc1cc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)cc(OC)c1O ZINC000000819119 212185194 /nfs/dbraw/zinc/18/51/94/212185194.db2.gz JCTJWRGYUWZOKE-UHFFFAOYSA-N 1 0 383.404 3.151 50 0 GGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000000755560 212178837 /nfs/dbraw/zinc/17/88/37/212178837.db2.gz JQZBGYVMVQSLAJ-CQSZACIVSA-N 1 0 399.329 3.244 50 0 GGAARO O[C@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2 ZINC000000623174 212165818 /nfs/dbraw/zinc/16/58/18/212165818.db2.gz IHLILNZOBCUZJY-QFIPXVFZSA-N 1 0 383.443 3.247 50 0 GGAARO CC[NH+]1CCN(CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000020573477 212150703 /nfs/dbraw/zinc/15/07/03/212150703.db2.gz SAVJIWVFLHBGOT-UHFFFAOYSA-N 1 0 378.472 3.476 50 0 biogenic GGAARO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(Cc3cccs3)CC2)CC1 ZINC000011754063 212078540 /nfs/dbraw/zinc/07/85/40/212078540.db2.gz JNMFNFGDBLUXLR-UHFFFAOYSA-N 1 0 398.576 3.136 50 0 GGAARO CSc1ccc(CNC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000426596473 532954010 /nfs/dbraw/zinc/95/40/10/532954010.db2.gz JIOGGGOPRBOIGC-UHFFFAOYSA-N 1 0 381.545 3.403 50 0 GGAARO COc1ccc([C@@]2(O)C[N+](c3cc(OC)ccc3OC)=C3CCCCCN32)cc1 ZINC000002974533 220590135 /nfs/dbraw/zinc/59/01/35/220590135.db2.gz CLEJTIJEXYEFDG-QHCPKHFHSA-N 1 0 397.495 3.363 50 0 GGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C=C12 ZINC000004028550 220671742 /nfs/dbraw/zinc/67/17/42/220671742.db2.gz BDWBILALDYSMLA-YAOJWGSESA-N 1 0 375.509 3.140 50 0 biogenic GGAARO Nc1ccccc1S[C@@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000004284764 220701426 /nfs/dbraw/zinc/70/14/26/220701426.db2.gz DPACMSRHVADMBO-HXUWFJFHSA-N 1 0 395.528 3.153 50 0 GGAARO O[C@@H](C[NH2+]CCNc1ccc(C(F)(F)F)cn1)Cn1ccc2ccccc21 ZINC000004299478 220701897 /nfs/dbraw/zinc/70/18/97/220701897.db2.gz GXXCOUPBMNPJNI-INIZCTEOSA-N 1 0 378.398 3.118 50 0 GGAARO Cc1c(C)c(=O)oc2cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006660156 220948570 /nfs/dbraw/zinc/94/85/70/220948570.db2.gz FJRJQRRZMXPNNO-UHFFFAOYSA-N 1 0 386.492 3.214 50 0 GGAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 ZINC000007540401 221000936 /nfs/dbraw/zinc/00/09/36/221000936.db2.gz IVYRBRLOOMHICA-INIZCTEOSA-N 1 0 381.480 3.446 50 0 GGAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008864254 221060897 /nfs/dbraw/zinc/06/08/97/221060897.db2.gz LKTGCJUBTAILJK-INIZCTEOSA-N 1 0 395.887 3.432 50 0 GGAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000008864255 221061002 /nfs/dbraw/zinc/06/10/02/221061002.db2.gz LKTGCJUBTAILJK-MRXNPFEDSA-N 1 0 395.887 3.432 50 0 GGAARO O=C(NCc1cccs1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893204 221062322 /nfs/dbraw/zinc/06/23/22/221062322.db2.gz YUEVBVHIZKXSLM-QGZVFWFLSA-N 1 0 391.562 3.159 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000008764869 221057125 /nfs/dbraw/zinc/05/71/25/221057125.db2.gz TXNKKGHFIPXTLT-OAHLLOKOSA-N 1 0 382.460 3.299 50 0 biogenic GGAARO Nc1cc(N)[nH+]c(SCC(=O)NC(C2CCCCC2)C2CCCCC2)n1 ZINC000009489320 221082590 /nfs/dbraw/zinc/08/25/90/221082590.db2.gz VUYIHLLLSVFEOF-UHFFFAOYSA-N 1 0 377.558 3.379 50 0 GGAARO CCOc1c(Br)cc(C[NH2+][C@H](CC)CO)cc1Br ZINC000010435759 221102983 /nfs/dbraw/zinc/10/29/83/221102983.db2.gz PRAVLNNQEIHYPV-SNVBAGLBSA-N 1 0 381.108 3.471 50 0 GGAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c(Cl)c1Cl ZINC000010540748 221104846 /nfs/dbraw/zinc/10/48/46/221104846.db2.gz WIDBLHAZNGJZOZ-UHFFFAOYSA-N 1 0 395.352 3.402 50 0 GGAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000010544033 221105370 /nfs/dbraw/zinc/10/53/70/221105370.db2.gz RHXPYLXXCXAYRG-KBPBESRZSA-N 1 0 389.359 3.095 50 0 GGAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009669025 221088699 /nfs/dbraw/zinc/08/86/99/221088699.db2.gz KMQNPKROVDBAKV-UHFFFAOYSA-N 1 0 388.431 3.148 50 0 GGAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccccc4Cl)C3=O)c2c1 ZINC000009669340 221089270 /nfs/dbraw/zinc/08/92/70/221089270.db2.gz JUVHBSSBSAGGNW-SFHVURJKSA-N 1 0 397.862 3.294 50 0 GGAARO O=C(C1CC[NH+](CCCc2ccccc2)CC1)N(CCO)Cc1ccccc1 ZINC000009849406 221092838 /nfs/dbraw/zinc/09/28/38/221092838.db2.gz AAYNMIPFRHTAGJ-UHFFFAOYSA-N 1 0 380.532 3.352 50 0 GGAARO COc1ccc(Cl)cc1C(=O)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000011697811 221123740 /nfs/dbraw/zinc/12/37/40/221123740.db2.gz ALXLVIXXAHTUTH-UHFFFAOYSA-N 1 0 398.854 3.119 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000011766878 221124036 /nfs/dbraw/zinc/12/40/36/221124036.db2.gz YCVWQGIOVBYNSH-SFHVURJKSA-N 1 0 387.911 3.000 50 0 GGAARO Cc1ncoc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011764195 221124203 /nfs/dbraw/zinc/12/42/03/221124203.db2.gz KEOSUFVJLINPIY-IBGZPJMESA-N 1 0 375.513 3.259 50 0 GGAARO CN(C)c1ncc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@H+]24)s1 ZINC000011763353 221124301 /nfs/dbraw/zinc/12/43/01/221124301.db2.gz HRCJIHSLBGJSES-SPEDKVCISA-N 1 0 396.560 3.190 50 0 GGAARO Cc1ncoc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011764206 221124973 /nfs/dbraw/zinc/12/49/73/221124973.db2.gz KEOSUFVJLINPIY-LJQANCHMSA-N 1 0 375.513 3.259 50 0 GGAARO O=C(Nc1ccnn1C1CC[NH+](CCCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000011753606 221125358 /nfs/dbraw/zinc/12/53/58/221125358.db2.gz ROTOWPRZWXRQPC-LJQANCHMSA-N 1 0 382.508 3.128 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](C/C=C/c2ccc(O)c(OC)c2)C1 ZINC000011773700 221125362 /nfs/dbraw/zinc/12/53/62/221125362.db2.gz KANRLDTZUXXYFL-GZNAHNRGSA-N 1 0 377.481 3.096 50 0 GGAARO COC(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000011813744 221125889 /nfs/dbraw/zinc/12/58/89/221125889.db2.gz GCTDEHBYKAEDHF-OAQYLSRUSA-N 1 0 392.499 3.177 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCc3cnn(C)c3)C2)cc1 ZINC000011813019 221126037 /nfs/dbraw/zinc/12/60/37/221126037.db2.gz LVWXAXQFTTZARQ-QFIPXVFZSA-N 1 0 382.552 3.332 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)ccc2C)CC1 ZINC000011817252 221127613 /nfs/dbraw/zinc/12/76/13/221127613.db2.gz AOGLNRNYJNUSFE-NRFANRHFSA-N 1 0 388.552 3.283 50 0 GGAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C)ccc2C)CC1 ZINC000011817253 221128355 /nfs/dbraw/zinc/12/83/55/221128355.db2.gz AOGLNRNYJNUSFE-OAQYLSRUSA-N 1 0 388.552 3.283 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ncoc4C)C3)C2)c1OC ZINC000011879381 221135263 /nfs/dbraw/zinc/13/52/63/221135263.db2.gz PZVZZZNHYOBPFB-QFIPXVFZSA-N 1 0 399.491 3.129 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000011880011 221135280 /nfs/dbraw/zinc/13/52/80/221135280.db2.gz DUCWFVPPJXEMID-GOSISDBHSA-N 1 0 392.455 3.196 50 0 GGAARO CSCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011821361 221128952 /nfs/dbraw/zinc/12/89/52/221128952.db2.gz MSRWZGMSMBFGAI-UHFFFAOYSA-N 1 0 385.533 3.218 50 0 GGAARO CN(C(=O)Cc1cn2ccsc2n1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011819557 221128959 /nfs/dbraw/zinc/12/89/59/221128959.db2.gz MJIXFODSTLSATL-IBGZPJMESA-N 1 0 382.533 3.104 50 0 GGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1ccnc1C ZINC000011819294 221129352 /nfs/dbraw/zinc/12/93/52/221129352.db2.gz TVMPRZBNEKVOCN-NRFANRHFSA-N 1 0 398.551 3.003 50 0 GGAARO O=C(COc1ncnc2ccccc21)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011879210 221135323 /nfs/dbraw/zinc/13/53/23/221135323.db2.gz DREPEYFRMRIPJH-GOSISDBHSA-N 1 0 382.508 3.170 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCn4ccc(C)n4)C3)C2)c1 ZINC000011839875 221130693 /nfs/dbraw/zinc/13/06/93/221130693.db2.gz SMJSOEZFRJCKMT-QHCPKHFHSA-N 1 0 396.535 3.105 50 0 GGAARO CCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cn1 ZINC000011840303 221130759 /nfs/dbraw/zinc/13/07/59/221130759.db2.gz DWRJFZSUCCGZPE-QHCPKHFHSA-N 1 0 378.520 3.362 50 0 GGAARO COc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000011838952 221130823 /nfs/dbraw/zinc/13/08/23/221130823.db2.gz LOYJGYOKAXSGPQ-FQEVSTJZSA-N 1 0 382.504 3.483 50 0 GGAARO C[NH+](C)C1(CNC(=O)c2cn(Cc3cccc4ccccc43)nn2)CCCCC1 ZINC000011841458 221131752 /nfs/dbraw/zinc/13/17/52/221131752.db2.gz FWKSMUXGSVLINA-UHFFFAOYSA-N 1 0 391.519 3.474 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@H](c1cccn1C)[NH+]1CCCCCC1 ZINC000011846392 221132566 /nfs/dbraw/zinc/13/25/66/221132566.db2.gz WVYDTWNIZHGYCH-LJQANCHMSA-N 1 0 385.508 3.146 50 0 GGAARO COc1ccccc1OCC(=O)NC[C@@H](c1cccn1C)[NH+]1CCCCCC1 ZINC000011846393 221132899 /nfs/dbraw/zinc/13/28/99/221132899.db2.gz WVYDTWNIZHGYCH-IBGZPJMESA-N 1 0 385.508 3.146 50 0 GGAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011873811 221133093 /nfs/dbraw/zinc/13/30/93/221133093.db2.gz GIVGXPGZKMIKIL-NRFANRHFSA-N 1 0 392.547 3.074 50 0 GGAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011873812 221133349 /nfs/dbraw/zinc/13/33/49/221133349.db2.gz GIVGXPGZKMIKIL-OAQYLSRUSA-N 1 0 392.547 3.074 50 0 GGAARO COC(=O)CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011873646 221133523 /nfs/dbraw/zinc/13/35/23/221133523.db2.gz ALSOUHMOOYKQFA-OAQYLSRUSA-N 1 0 394.462 3.123 50 0 GGAARO COc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cc2c1OCO2 ZINC000011873558 221133917 /nfs/dbraw/zinc/13/39/17/221133917.db2.gz SJDSGJWZJIQKEK-INIZCTEOSA-N 1 0 378.432 3.172 50 0 GGAARO OC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000011873372 221133982 /nfs/dbraw/zinc/13/39/82/221133982.db2.gz HVVHOSBNSJTUIY-UHFFFAOYSA-N 1 0 391.471 3.284 50 0 GGAARO Cn1cccc1[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000011897841 221134670 /nfs/dbraw/zinc/13/46/70/221134670.db2.gz CMXCMVBOFLETBM-HXUWFJFHSA-N 1 0 393.528 3.201 50 0 GGAARO Cc1c(C(=O)NCc2cccs2)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000011881061 221135040 /nfs/dbraw/zinc/13/50/40/221135040.db2.gz RSAABQADMGSTKZ-UHFFFAOYSA-N 1 0 389.550 3.355 50 0 GGAARO COC(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000011661732 221118663 /nfs/dbraw/zinc/11/86/63/221118663.db2.gz MTJIJDFBEAAWGD-NRFANRHFSA-N 1 0 380.488 3.300 50 0 GGAARO COCCN(Cc1ccccn1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011662729 221118889 /nfs/dbraw/zinc/11/88/89/221118889.db2.gz XXEMMYISHJZQBA-HXUWFJFHSA-N 1 0 379.548 3.409 50 0 GGAARO COCCN(Cc1ccccn1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011662728 221118925 /nfs/dbraw/zinc/11/89/25/221118925.db2.gz XXEMMYISHJZQBA-FQEVSTJZSA-N 1 0 379.548 3.409 50 0 GGAARO COCCN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011667790 221119772 /nfs/dbraw/zinc/11/97/72/221119772.db2.gz IFSIYFOYSKGUSJ-NRFANRHFSA-N 1 0 379.548 3.409 50 0 GGAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccncc4)CC3)on2)c1 ZINC000011668250 221120294 /nfs/dbraw/zinc/12/02/94/221120294.db2.gz CNOWLNOTMMCMBK-UHFFFAOYSA-N 1 0 379.460 3.315 50 0 GGAARO CCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000011663396 221120306 /nfs/dbraw/zinc/12/03/06/221120306.db2.gz FMAUNKWPOZLQNK-OAQYLSRUSA-N 1 0 388.462 3.196 50 0 GGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)CCc2cccnc2)cc1 ZINC000011665317 221120421 /nfs/dbraw/zinc/12/04/21/221120421.db2.gz NCKDMYBHYFLQEA-UHFFFAOYSA-N 1 0 395.547 3.436 50 0 GGAARO Cc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCN(Cc1cccnc1)C3=O)OCO2 ZINC000011665506 221120796 /nfs/dbraw/zinc/12/07/96/221120796.db2.gz KGOMSMMPIAWXJV-HSZRJFAPSA-N 1 0 393.487 3.133 50 0 GGAARO COC(=O)c1c2c(sc1NC(=O)c1cc(C)no1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000011694231 221121154 /nfs/dbraw/zinc/12/11/54/221121154.db2.gz RGZNJUVMQCOEOI-UHFFFAOYSA-N 1 0 377.466 3.243 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000011694010 221121600 /nfs/dbraw/zinc/12/16/00/221121600.db2.gz OHFFLELKXRBULA-UHFFFAOYSA-N 1 0 381.451 3.221 50 0 GGAARO O=C1NC2(CC[NH+](Cc3ccccc3F)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000011694012 221121935 /nfs/dbraw/zinc/12/19/35/221121935.db2.gz GOZPPPMLUOZJFF-UHFFFAOYSA-N 1 0 385.414 3.051 50 0 GGAARO O=C(c1cnccn1)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011933116 221137155 /nfs/dbraw/zinc/13/71/55/221137155.db2.gz PIGXJSFFHAEJHI-UHFFFAOYSA-N 1 0 379.508 3.169 50 0 GGAARO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000011933295 221137319 /nfs/dbraw/zinc/13/73/19/221137319.db2.gz PJFFPNNIGIAHDL-GOSISDBHSA-N 1 0 378.480 3.014 50 0 GGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)CC2)n1 ZINC000011937999 221139806 /nfs/dbraw/zinc/13/98/06/221139806.db2.gz IHZRQQLBDCXBCC-UHFFFAOYSA-N 1 0 398.595 3.325 50 0 GGAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCCc2ccccc2)C3=O)cn1 ZINC000011935023 221139831 /nfs/dbraw/zinc/13/98/31/221139831.db2.gz SARXBCGCXCQINU-HSZRJFAPSA-N 1 0 378.520 3.232 50 0 GGAARO O=C(Cc1ccccn1)N1CC[C@@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000011938538 221141261 /nfs/dbraw/zinc/14/12/61/221141261.db2.gz ABFZHJNBLBPCCM-JOCHJYFZSA-N 1 0 377.532 3.427 50 0 GGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCN3CCCCC3=O)C2)cc1 ZINC000012000012 221141518 /nfs/dbraw/zinc/14/15/18/221141518.db2.gz XURYBHLZXVQQPK-QFIPXVFZSA-N 1 0 399.579 3.368 50 0 GGAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Cc3ccc(OC)cc3)C2)o1 ZINC000012003053 221141777 /nfs/dbraw/zinc/14/17/77/221141777.db2.gz RRSLYMLBIHTGJL-SFHVURJKSA-N 1 0 386.492 3.006 50 0 GGAARO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000011998305 221142260 /nfs/dbraw/zinc/14/22/60/221142260.db2.gz XUCJCDGNZVLRRC-QGZVFWFLSA-N 1 0 382.508 3.035 50 0 GGAARO COc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccoc3)O2)CC1 ZINC000011996476 221142356 /nfs/dbraw/zinc/14/23/56/221142356.db2.gz FZARBNWQENJUAP-LJQANCHMSA-N 1 0 384.476 3.232 50 0 GGAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn(C2CCCCC2)nn1 ZINC000012000325 221142637 /nfs/dbraw/zinc/14/26/37/221142637.db2.gz XWTVGHMAFOHASQ-HXUWFJFHSA-N 1 0 385.487 3.489 50 0 GGAARO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cccc3ccccc31)CC2 ZINC000012023420 221143277 /nfs/dbraw/zinc/14/32/77/221143277.db2.gz XVJZBHQPZDKNRE-KRWDZBQOSA-N 1 0 391.519 3.323 50 0 GGAARO CCN1CCN(C(=O)CCC2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000012026621 221143301 /nfs/dbraw/zinc/14/33/01/221143301.db2.gz QRWDNTRDTUPMOD-ONEGZZNKSA-N 1 0 387.543 3.495 50 0 GGAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3OC)C2)cc1 ZINC000012022308 221143451 /nfs/dbraw/zinc/14/34/51/221143451.db2.gz KZZLWLRZDFNVNN-IBGZPJMESA-N 1 0 382.504 3.275 50 0 GGAARO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012027024 221144086 /nfs/dbraw/zinc/14/40/86/221144086.db2.gz BPTGDSGZWWSPJF-LJQANCHMSA-N 1 0 389.584 3.329 50 0 GGAARO CCC[NH+]1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CC(C)C)C2=O)CC1 ZINC000012041606 221144452 /nfs/dbraw/zinc/14/44/52/221144452.db2.gz HMWJCDLXUMAFLN-QFIPXVFZSA-N 1 0 389.515 3.437 50 0 GGAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012041595 221144562 /nfs/dbraw/zinc/14/45/62/221144562.db2.gz NUMYXCXSAKVRAH-QGZVFWFLSA-N 1 0 398.478 3.468 50 0 GGAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012041599 221144796 /nfs/dbraw/zinc/14/47/96/221144796.db2.gz NUMYXCXSAKVRAH-KRWDZBQOSA-N 1 0 398.478 3.468 50 0 GGAARO Cn1c(CNC(=O)c2ccc(-c3ccccc3)cc2)nnc1SCC[NH+](C)C ZINC000012038297 221145424 /nfs/dbraw/zinc/14/54/24/221145424.db2.gz JHDMMUVNXKQGIR-UHFFFAOYSA-N 1 0 395.532 3.066 50 0 GGAARO COCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012054435 221145841 /nfs/dbraw/zinc/14/58/41/221145841.db2.gz JNFMQEKYGMCLQQ-QGZVFWFLSA-N 1 0 386.458 3.455 50 0 GGAARO COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)o1 ZINC000012072462 221146497 /nfs/dbraw/zinc/14/64/97/221146497.db2.gz ZLLHPRMHLFUITQ-QHCPKHFHSA-N 1 0 398.503 3.449 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cnc(C)cn4)C3)C2)c1 ZINC000012073118 221146786 /nfs/dbraw/zinc/14/67/86/221146786.db2.gz CNQGRSRCFOJCPK-JOCHJYFZSA-N 1 0 398.482 3.061 50 0 GGAARO O[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CC[C@H]1[NH+]1CCCCCC1 ZINC000012072435 221147360 /nfs/dbraw/zinc/14/73/60/221147360.db2.gz QPOSSGDWQCZDCI-NHCUHLMSSA-N 1 0 388.943 3.337 50 0 GGAARO Cc1cccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC2)n1 ZINC000012079611 221148238 /nfs/dbraw/zinc/14/82/38/221148238.db2.gz SCMIZEJTIVCFNJ-GOSISDBHSA-N 1 0 387.553 3.169 50 0 GGAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012111853 221150753 /nfs/dbraw/zinc/15/07/53/221150753.db2.gz LRTAZQBIDYVYEI-UHFFFAOYSA-N 1 0 384.480 3.434 50 0 GGAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](CCCn2cccn2)C1 ZINC000012111913 221151063 /nfs/dbraw/zinc/15/10/63/221151063.db2.gz ZHZQBKLXIXTVHS-QFIPXVFZSA-N 1 0 385.508 3.170 50 0 GGAARO Cc1cc(=O)c(C(=O)NC2CCCC2)c(CCc2ccccc2)n1CC[NH+](C)C ZINC000012097968 221151318 /nfs/dbraw/zinc/15/13/18/221151318.db2.gz LAXBDHRLIILZBC-UHFFFAOYSA-N 1 0 395.547 3.176 50 0 GGAARO O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C[NH+]2CCCCCC2)[nH]c1=O ZINC000012129829 221156275 /nfs/dbraw/zinc/15/62/75/221156275.db2.gz PULIIYDZRBDWAN-UHFFFAOYSA-N 1 0 383.536 3.450 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1C ZINC000011909118 221136564 /nfs/dbraw/zinc/13/65/64/221136564.db2.gz AWDMLZXOMIWQMV-LJQANCHMSA-N 1 0 397.523 3.058 50 0 GGAARO CC(C)NC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000012280042 221174942 /nfs/dbraw/zinc/17/49/42/221174942.db2.gz PWDFHYZQJGEOAR-INIZCTEOSA-N 1 0 383.521 3.468 50 0 GGAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1C1Cc2ccccc2C1 ZINC000012279006 221175073 /nfs/dbraw/zinc/17/50/73/221175073.db2.gz PFZNSEKRZNVZST-FQEVSTJZSA-N 1 0 382.479 3.343 50 0 GGAARO c1csc(CNc2nc3nonc3nc2N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000012298035 221175277 /nfs/dbraw/zinc/17/52/77/221175277.db2.gz ZSWDNGAHPFSMOA-UHFFFAOYSA-N 1 0 399.524 3.141 50 0 GGAARO CCn1ccnc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000012300031 221175856 /nfs/dbraw/zinc/17/58/56/221175856.db2.gz TYNOJWZDJUOUNI-QHCPKHFHSA-N 1 0 398.551 3.408 50 0 GGAARO Cc1c(C)c(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000012296544 221176091 /nfs/dbraw/zinc/17/60/91/221176091.db2.gz HCVVNZPIPGXUFG-FXAWDEMLSA-N 1 0 398.503 3.169 50 0 biogenic GGAARO CCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000012296492 221176191 /nfs/dbraw/zinc/17/61/91/221176191.db2.gz CBDGLJTVHPMABF-FXAWDEMLSA-N 1 0 398.503 3.115 50 0 biogenic GGAARO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3ncccn3)[N@@H+]3CCC[C@@]123 ZINC000012298717 221176378 /nfs/dbraw/zinc/17/63/78/221176378.db2.gz XCIQETAIZGHJJE-NYDSKATKSA-N 1 0 385.471 3.210 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCc2ccncc2)Cc2ccccc2C1 ZINC000012299257 221176468 /nfs/dbraw/zinc/17/64/68/221176468.db2.gz REBGVYADXNPCCF-UHFFFAOYSA-N 1 0 385.511 3.410 50 0 GGAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc1OC ZINC000012299544 221176685 /nfs/dbraw/zinc/17/66/85/221176685.db2.gz FPINOUVWFQSKHB-IBGZPJMESA-N 1 0 386.492 3.151 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 ZINC000012302435 221177296 /nfs/dbraw/zinc/17/72/96/221177296.db2.gz WRNMSDTTXCZLFI-INIZCTEOSA-N 1 0 382.508 3.356 50 0 GGAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000012305028 221177357 /nfs/dbraw/zinc/17/73/57/221177357.db2.gz RSMCHOBBAXBHDN-LJQANCHMSA-N 1 0 375.476 3.426 50 0 GGAARO Cc1c(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cnn1C ZINC000012300976 221177459 /nfs/dbraw/zinc/17/74/59/221177459.db2.gz HSZSHTJCHUSHPJ-UHFFFAOYSA-N 1 0 382.508 3.008 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 ZINC000012302437 221178306 /nfs/dbraw/zinc/17/83/06/221178306.db2.gz WRNMSDTTXCZLFI-MRXNPFEDSA-N 1 0 382.508 3.356 50 0 GGAARO CC[NH+](CC)CC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000012306131 221179041 /nfs/dbraw/zinc/17/90/41/221179041.db2.gz GHOOYRNXWKCIBY-UHFFFAOYSA-N 1 0 380.414 3.322 50 0 GGAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)Cc3cccnc3)CC2)cc1 ZINC000012309061 221179304 /nfs/dbraw/zinc/17/93/04/221179304.db2.gz MCIYXQUHNNLAQQ-UHFFFAOYSA-N 1 0 381.520 3.046 50 0 GGAARO Cc1cc(NCc2cccnc2N2CCN(c3ccccc3C)CC2)nc(N)[nH+]1 ZINC000012306825 221179844 /nfs/dbraw/zinc/17/98/44/221179844.db2.gz PHSMWAAHPNIMLA-UHFFFAOYSA-N 1 0 389.507 3.009 50 0 GGAARO Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000012314710 221179873 /nfs/dbraw/zinc/17/98/73/221179873.db2.gz SZWQSEAMZSKWHA-UHFFFAOYSA-N 1 0 397.519 3.304 50 0 GGAARO COCc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000012313821 221179892 /nfs/dbraw/zinc/17/98/92/221179892.db2.gz HURDHYKHAPBZQX-LTMIRXACSA-N 1 0 396.487 3.373 50 0 GGAARO COc1cc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cc(Cl)c1OC ZINC000012315629 221180970 /nfs/dbraw/zinc/18/09/70/221180970.db2.gz OMMPMYGOIDCTJJ-QZTJIDSGSA-N 1 0 382.932 3.168 50 0 GGAARO C[NH+](C)CCCNc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CCC3 ZINC000012322434 221181104 /nfs/dbraw/zinc/18/11/04/221181104.db2.gz NYSDXIDZFLGORW-UHFFFAOYSA-N 1 0 382.493 3.451 50 0 GGAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N2CCCO2)c1 ZINC000012318953 221181137 /nfs/dbraw/zinc/18/11/37/221181137.db2.gz DQTXXMNXRUSSMP-UHFFFAOYSA-N 1 0 381.476 3.211 50 0 GGAARO O=C(CCn1cnc2ccccc21)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012319278 221181690 /nfs/dbraw/zinc/18/16/90/221181690.db2.gz JXYUNFGAPRHFTC-HXUWFJFHSA-N 1 0 388.515 3.174 50 0 GGAARO CC1(C)C[C@@H](N2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)CCO1 ZINC000012338063 221183999 /nfs/dbraw/zinc/18/39/99/221183999.db2.gz CGVJSBJYFNZSMH-ROUUACIJSA-N 1 0 378.488 3.133 50 0 GGAARO CCC(CC)C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000012166106 221161211 /nfs/dbraw/zinc/16/12/11/221161211.db2.gz CQXWDCZZNNUBKQ-QGZVFWFLSA-N 1 0 383.540 3.372 50 0 GGAARO CCN(CC[NH+](C)C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C(C)C ZINC000012190935 221164877 /nfs/dbraw/zinc/16/48/77/221164877.db2.gz WBDZDZIXRFKYMT-UHFFFAOYSA-N 1 0 396.495 3.069 50 0 GGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc[n+]([O-])c1 ZINC000012194785 221165411 /nfs/dbraw/zinc/16/54/11/221165411.db2.gz UNFPHVNGSGKJEU-SFHVURJKSA-N 1 0 387.911 3.000 50 0 GGAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](C2CSCCSC2)CC1 ZINC000012196331 221166447 /nfs/dbraw/zinc/16/64/47/221166447.db2.gz RWVIQSZBWZVWEP-UHFFFAOYSA-N 1 0 382.599 3.353 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000012196466 221167042 /nfs/dbraw/zinc/16/70/42/221167042.db2.gz VEKYUJDIOXRSTQ-HNNXBMFYSA-N 1 0 380.366 3.467 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)c1 ZINC000012210481 221167507 /nfs/dbraw/zinc/16/75/07/221167507.db2.gz JJSLVTAAANUVOR-QFIPXVFZSA-N 1 0 383.467 3.358 50 0 GGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)c1 ZINC000012210478 221168268 /nfs/dbraw/zinc/16/82/68/221168268.db2.gz JJSLVTAAANUVOR-JOCHJYFZSA-N 1 0 383.467 3.358 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000012209807 221168340 /nfs/dbraw/zinc/16/83/40/221168340.db2.gz COMGSOKZCDAEFV-HXUWFJFHSA-N 1 0 380.488 3.471 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)n[nH]1 ZINC000012206205 221168454 /nfs/dbraw/zinc/16/84/54/221168454.db2.gz ARRCMEOLHKTMPJ-LJQANCHMSA-N 1 0 384.524 3.144 50 0 GGAARO COc1ccc(CN(Cc2cccnc2)C(=O)C2CC2)cc1OCCC[NH+](C)C ZINC000012217867 221169344 /nfs/dbraw/zinc/16/93/44/221169344.db2.gz YBZBBJBOXIERHO-UHFFFAOYSA-N 1 0 397.519 3.360 50 0 GGAARO Cc1nnc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)[nH]1 ZINC000012225266 221170512 /nfs/dbraw/zinc/17/05/12/221170512.db2.gz PZNDTMWYRXGQSJ-JOCHJYFZSA-N 1 0 387.572 3.331 50 0 GGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)n(C)n1 ZINC000012229402 221170804 /nfs/dbraw/zinc/17/08/04/221170804.db2.gz NYGSQMTWZJTNBZ-UHFFFAOYSA-N 1 0 393.463 3.215 50 0 GGAARO CCCc1nc2cccnc2n1C1CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000012240325 221171553 /nfs/dbraw/zinc/17/15/53/221171553.db2.gz IHKBCKISZXLWTJ-IBGZPJMESA-N 1 0 383.540 3.422 50 0 GGAARO CCCc1nc2cccnc2n1C1CCN(C(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000012240337 221172339 /nfs/dbraw/zinc/17/23/39/221172339.db2.gz IHKBCKISZXLWTJ-LJQANCHMSA-N 1 0 383.540 3.422 50 0 GGAARO COC(=O)c1c2c(sc1NC(=O)c1cc(C)on1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012286849 221174151 /nfs/dbraw/zinc/17/41/51/221174151.db2.gz LXVSBHQHCVAOHG-UHFFFAOYSA-N 1 0 377.466 3.243 50 0 GGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOc2ccccc2Br)C1 ZINC000012276927 221174163 /nfs/dbraw/zinc/17/41/63/221174163.db2.gz VMUMPMNLXWFPPX-BZUAXINKSA-N 1 0 386.330 3.183 50 0 GGAARO O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000012430285 221191130 /nfs/dbraw/zinc/19/11/30/221191130.db2.gz GFKOLNSWUVORLP-HXUWFJFHSA-N 1 0 396.579 3.231 50 0 GGAARO O=C(CCC1CC[NH+](Cc2cccn2-c2ccccn2)CC1)NC[C@H]1CCCO1 ZINC000012435480 221193191 /nfs/dbraw/zinc/19/31/91/221193191.db2.gz QJKQDYGICOGLOW-OAQYLSRUSA-N 1 0 396.535 3.160 50 0 GGAARO CN(C(=O)CSc1ccccn1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012435784 221193209 /nfs/dbraw/zinc/19/32/09/221193209.db2.gz MUCONLCTWLWYOC-LJQANCHMSA-N 1 0 381.545 3.264 50 0 GGAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000012436276 221194150 /nfs/dbraw/zinc/19/41/50/221194150.db2.gz MLLXLBOBEOLTOJ-FQEVSTJZSA-N 1 0 384.568 3.161 50 0 GGAARO CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)C[NH+]2CCCCC2)C1 ZINC000012438151 221194201 /nfs/dbraw/zinc/19/42/01/221194201.db2.gz VTCBVJOVQBHXFX-QFIPXVFZSA-N 1 0 390.499 3.026 50 0 GGAARO CCn1ncc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000012438844 221196112 /nfs/dbraw/zinc/19/61/12/221196112.db2.gz GEQQGMZBKWWBPS-RRPUWOKSSA-N 1 0 378.520 3.458 50 0 GGAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000012447882 221197308 /nfs/dbraw/zinc/19/73/08/221197308.db2.gz YDRXOGQNTPZBIH-GOSISDBHSA-N 1 0 383.492 3.226 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCC3(c4ccccc4)CCCC3)C2)CC1 ZINC000012466637 221197737 /nfs/dbraw/zinc/19/77/37/221197737.db2.gz SSWKATBVDDORCW-FQEVSTJZSA-N 1 0 383.580 3.421 50 0 GGAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cccc(N2CCNC2=O)c1 ZINC000012455134 221198005 /nfs/dbraw/zinc/19/80/05/221198005.db2.gz HTOSMPJFVICXJG-SFHVURJKSA-N 1 0 384.524 3.133 50 0 GGAARO CCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000012460244 221198163 /nfs/dbraw/zinc/19/81/63/221198163.db2.gz WQLZJPVPIBPETG-HSZRJFAPSA-N 1 0 379.504 3.495 50 0 GGAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000012454834 221198904 /nfs/dbraw/zinc/19/89/04/221198904.db2.gz GBVCQJSIVYIBRR-QFIPXVFZSA-N 1 0 385.508 3.125 50 0 GGAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cnc(CN2CCCC2)s1 ZINC000012570617 221207956 /nfs/dbraw/zinc/20/79/56/221207956.db2.gz LLQARNXIKDNWRV-IBGZPJMESA-N 1 0 398.576 3.176 50 0 GGAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012572901 221208195 /nfs/dbraw/zinc/20/81/95/221208195.db2.gz LCYGEVLFJRWONG-QGZVFWFLSA-N 1 0 384.524 3.377 50 0 GGAARO O=C(NCCc1cn[nH]c1)c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012573430 221208253 /nfs/dbraw/zinc/20/82/53/221208253.db2.gz CHTLXOJUDFHZMH-UHFFFAOYSA-N 1 0 382.508 3.168 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000012575133 221208676 /nfs/dbraw/zinc/20/86/76/221208676.db2.gz KUPCPVUFVADQLU-KRWDZBQOSA-N 1 0 388.475 3.318 50 0 GGAARO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)nn1C ZINC000012579236 221209484 /nfs/dbraw/zinc/20/94/84/221209484.db2.gz WOFOOAMCDHEYIU-OAQYLSRUSA-N 1 0 380.536 3.145 50 0 GGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012581091 221209909 /nfs/dbraw/zinc/20/99/09/221209909.db2.gz XSKGTGXNGUTXME-UHFFFAOYSA-N 1 0 394.515 3.485 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3c[nH]c4ccccc34)CC2)C1 ZINC000012578742 221210097 /nfs/dbraw/zinc/21/00/97/221210097.db2.gz NWRUQNSWDPQWGW-KRWDZBQOSA-N 1 0 380.536 3.123 50 0 GGAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)cc1O ZINC000012581002 221210428 /nfs/dbraw/zinc/21/04/28/221210428.db2.gz ZUYSRWVGKIQFFG-OAQYLSRUSA-N 1 0 377.431 3.496 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnc(C)cn1 ZINC000012385831 221187595 /nfs/dbraw/zinc/18/75/95/221187595.db2.gz YALTVQUNKQUKCW-HXUWFJFHSA-N 1 0 396.535 3.210 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)COc3ccc(C(C)=O)cc3)C2)c1 ZINC000012386844 221187638 /nfs/dbraw/zinc/18/76/38/221187638.db2.gz PLPXXWZLIKIRTN-FQEVSTJZSA-N 1 0 396.487 3.057 50 0 GGAARO O=C(CCc1cnccn1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012385231 221187732 /nfs/dbraw/zinc/18/77/32/221187732.db2.gz OOHPFBCEXZYRKA-DEOSSOPVSA-N 1 0 392.547 3.357 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)cc1 ZINC000012387546 221188055 /nfs/dbraw/zinc/18/80/55/221188055.db2.gz MIENLOUKRRFJEJ-XMMPIXPASA-N 1 0 397.563 3.247 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)cc1OC ZINC000012596729 221212870 /nfs/dbraw/zinc/21/28/70/221212870.db2.gz PIIJJABQOUCRKI-SINXNMPMSA-N 1 0 398.503 3.476 50 0 GGAARO O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2-n2cccn2)CN1Cc1cccc(F)c1 ZINC000012595842 221213005 /nfs/dbraw/zinc/21/30/05/221213005.db2.gz WBAKFLDNGUJGFN-LJQANCHMSA-N 1 0 382.414 3.041 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000012593819 221213635 /nfs/dbraw/zinc/21/36/35/221213635.db2.gz QXFYKQMELSTRRB-SFHVURJKSA-N 1 0 390.487 3.245 50 0 GGAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc3ncccn3n2)C1 ZINC000012710852 221219340 /nfs/dbraw/zinc/21/93/40/221219340.db2.gz LXKQJJIFYAUYQP-IBGZPJMESA-N 1 0 391.519 3.064 50 0 GGAARO c1csc(CNc2nc3nonc3nc2N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000012705796 221219475 /nfs/dbraw/zinc/21/94/75/221219475.db2.gz IUVUSASHMBZQBL-UHFFFAOYSA-N 1 0 399.524 3.141 50 0 GGAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](C2CCOCC2)CC1 ZINC000012707138 221219655 /nfs/dbraw/zinc/21/96/55/221219655.db2.gz UZGUXQYIVCJVRO-UHFFFAOYSA-N 1 0 398.507 3.107 50 0 GGAARO O=C(NC[C@H]1CCC[N@@H+](C2CCOCC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012706532 221219758 /nfs/dbraw/zinc/21/97/58/221219758.db2.gz CXUSVXSYOGRZGR-MRXNPFEDSA-N 1 0 376.928 3.379 50 0 GGAARO O=C(c1ccc(=O)[nH]c1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012703520 221219847 /nfs/dbraw/zinc/21/98/47/221219847.db2.gz CFCIKCGDFLVETB-QHCPKHFHSA-N 1 0 379.504 3.348 50 0 GGAARO Nc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1 ZINC000012711684 221219865 /nfs/dbraw/zinc/21/98/65/221219865.db2.gz SHVGVEUOWYNGHN-QGZVFWFLSA-N 1 0 377.448 3.170 50 0 GGAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012711225 221219985 /nfs/dbraw/zinc/21/99/85/221219985.db2.gz MSXMIUHYXIRBFY-QFIPXVFZSA-N 1 0 399.579 3.002 50 0 GGAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3ccc(C)nc3)C2)cc1 ZINC000012707311 221220132 /nfs/dbraw/zinc/22/01/32/221220132.db2.gz XSQADZNWZXWAPY-FQEVSTJZSA-N 1 0 381.520 3.425 50 0 GGAARO CC(C)[N@@H+]1CC[C@H](CN(C)C(=O)c2coc(COc3cccc(F)c3)n2)C1 ZINC000012715374 221220411 /nfs/dbraw/zinc/22/04/11/221220411.db2.gz OEZAWAMBYRJMMD-OAHLLOKOSA-N 1 0 375.444 3.195 50 0 GGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000012714828 221220449 /nfs/dbraw/zinc/22/04/49/221220449.db2.gz WBQCJMKUSLQEEF-OAHLLOKOSA-N 1 0 392.471 3.350 50 0 GGAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)c2coc(COc3cccc(F)c3)n2)C1 ZINC000012715367 221220771 /nfs/dbraw/zinc/22/07/71/221220771.db2.gz OEZAWAMBYRJMMD-HNNXBMFYSA-N 1 0 375.444 3.195 50 0 GGAARO CCOc1ccc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000012713853 221220970 /nfs/dbraw/zinc/22/09/70/221220970.db2.gz RLUGGIHDPPVYNF-UHFFFAOYSA-N 1 0 399.579 3.384 50 0 GGAARO CCOc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000012713598 221221554 /nfs/dbraw/zinc/22/15/54/221221554.db2.gz MDRPNYUAZOXWIS-LJQANCHMSA-N 1 0 385.552 3.040 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)c3cc(C4CC4)nc4ccccc43)C2)CC1 ZINC000012713819 221221809 /nfs/dbraw/zinc/22/18/09/221221809.db2.gz PRYHZMPRUSUPFC-SFHVURJKSA-N 1 0 392.547 3.401 50 0 GGAARO COCCOC1CC[NH+](Cc2nc(-c3ccc(C(=O)OC)cc3)oc2C)CC1 ZINC000012592959 221211308 /nfs/dbraw/zinc/21/13/08/221211308.db2.gz SZCINEIQEZLJHD-UHFFFAOYSA-N 1 0 388.464 3.064 50 0 GGAARO CCn1cc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012587735 221211431 /nfs/dbraw/zinc/21/14/31/221211431.db2.gz XGNYPVFXCFWLNI-BUKVSMQUSA-N 1 0 380.492 3.162 50 0 GGAARO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3ccco3)cc2)CC1 ZINC000012590235 221211535 /nfs/dbraw/zinc/21/15/35/221211535.db2.gz MGPLXPJSXJHYND-UHFFFAOYSA-N 1 0 390.487 3.300 50 0 GGAARO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012587639 221211676 /nfs/dbraw/zinc/21/16/76/221211676.db2.gz VVRFJWDBDBBQAN-LJQANCHMSA-N 1 0 379.460 3.024 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCOC4=O)C3)C2)cc1 ZINC000012593363 221211691 /nfs/dbraw/zinc/21/16/91/221211691.db2.gz BUXZSNWWGPEPIE-QHCPKHFHSA-N 1 0 399.535 3.077 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC000012586938 221211852 /nfs/dbraw/zinc/21/18/52/221211852.db2.gz KMDNKJWTPPHQGR-IBGZPJMESA-N 1 0 396.535 3.129 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1cn[nH]c1 ZINC000012746298 221223821 /nfs/dbraw/zinc/22/38/21/221223821.db2.gz GQTLOGNNMYRAAJ-LJQANCHMSA-N 1 0 388.943 3.409 50 0 GGAARO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2cccnc21 ZINC000012750860 221224712 /nfs/dbraw/zinc/22/47/12/221224712.db2.gz TTXJABAHISIDOO-IBGZPJMESA-N 1 0 395.528 3.425 50 0 GGAARO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012758458 221227318 /nfs/dbraw/zinc/22/73/18/221227318.db2.gz BTQJHNSOHCEKQO-UHFFFAOYSA-N 1 0 387.915 3.070 50 0 GGAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(Cc3ccco3)CC2)CC1 ZINC000012761249 221228477 /nfs/dbraw/zinc/22/84/77/221228477.db2.gz DJQCMKCJTAEDDF-UHFFFAOYSA-N 1 0 395.547 3.315 50 0 GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cccc(F)c1F ZINC000012835824 221237641 /nfs/dbraw/zinc/23/76/41/221237641.db2.gz UJKSSZSKWRNPHP-UHFFFAOYSA-N 1 0 379.495 3.233 50 0 GGAARO CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000013326021 221264900 /nfs/dbraw/zinc/26/49/00/221264900.db2.gz FAAAISOHIVZSTM-UHFFFAOYSA-N 1 0 375.694 3.082 50 0 GGAARO O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000013644353 221277657 /nfs/dbraw/zinc/27/76/57/221277657.db2.gz ZNNBPFITFINRKC-HXUWFJFHSA-N 1 0 397.482 3.470 50 0 GGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOc2ccc(Br)cc2)C1 ZINC000013571697 221274661 /nfs/dbraw/zinc/27/46/61/221274661.db2.gz CYYQCICIVGWIRA-BFYDXBDKSA-N 1 0 386.330 3.183 50 0 GGAARO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013727050 221285093 /nfs/dbraw/zinc/28/50/93/221285093.db2.gz ZAPSNMDTUWKAAF-UHFFFAOYSA-N 1 0 386.492 3.165 50 0 GGAARO CCc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000013844943 221291585 /nfs/dbraw/zinc/29/15/85/221291585.db2.gz CCUVUASJBSCGCY-FQEVSTJZSA-N 1 0 391.471 3.203 50 0 GGAARO CCOC(=O)N1CCC([NH2+][C@@H]2C(C)=C(C)C(=O)N2Cc2ccc(F)cc2)CC1 ZINC000013944088 221293093 /nfs/dbraw/zinc/29/30/93/221293093.db2.gz INKXNNDCBMGPFZ-IBGZPJMESA-N 1 0 389.471 3.041 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccccc1F)CC2 ZINC000014541879 221312046 /nfs/dbraw/zinc/31/20/46/221312046.db2.gz JHCBETLAKZTRTB-MRXNPFEDSA-N 1 0 396.466 3.072 50 0 GGAARO O=C(CCc1cn[nH]c1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000014968893 221321287 /nfs/dbraw/zinc/32/12/87/221321287.db2.gz HLVLBKKYMHFRSC-HSZRJFAPSA-N 1 0 380.536 3.290 50 0 GGAARO O=C(NC1CCC1)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000014965092 221321317 /nfs/dbraw/zinc/32/13/17/221321317.db2.gz ZWZGTDMIIOLAKH-MRXNPFEDSA-N 1 0 382.508 3.177 50 0 GGAARO CCN(CC[NH+]1CCCC1)C(=O)c1cc(COc2ccc(C(C)=O)cc2)on1 ZINC000014965044 221321639 /nfs/dbraw/zinc/32/16/39/221321639.db2.gz XAJHJPJEQTXVKC-UHFFFAOYSA-N 1 0 385.464 3.014 50 0 GGAARO C[NH+]1CCC(CC(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000014967190 221322233 /nfs/dbraw/zinc/32/22/33/221322233.db2.gz KLMDLKJNVFMJCC-LJQANCHMSA-N 1 0 388.462 3.376 50 0 GGAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000014966777 221322300 /nfs/dbraw/zinc/32/23/00/221322300.db2.gz NIESACUPTXHWGC-UHFFFAOYSA-N 1 0 390.443 3.447 50 0 GGAARO O=C1N(Cc2ccccc2F)CCC[C@@]12CC[N@H+](Cc1ccc3nonc3c1)C2 ZINC000014961917 221322318 /nfs/dbraw/zinc/32/23/18/221322318.db2.gz MJQBBIYWHAMSOY-QFIPXVFZSA-N 1 0 394.450 3.377 50 0 GGAARO COc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000014968616 221322491 /nfs/dbraw/zinc/32/24/91/221322491.db2.gz QBQLIAKPTHYZKO-OAQYLSRUSA-N 1 0 388.462 3.252 50 0 GGAARO C[NH+](C)[C@H]1CCN(C(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)C1 ZINC000014975805 221323524 /nfs/dbraw/zinc/32/35/24/221323524.db2.gz GMKBZRKOSINYOT-ZDUSSCGKSA-N 1 0 383.370 3.049 50 0 GGAARO COC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000014973913 221323132 /nfs/dbraw/zinc/32/31/32/221323132.db2.gz CWQKUYMZUTUXQQ-CQSZACIVSA-N 1 0 376.888 3.461 50 0 GGAARO Cc1nn(C)c(C)c1CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000014976704 221323251 /nfs/dbraw/zinc/32/32/51/221323251.db2.gz WHOZKCLGPGYZLO-UHFFFAOYSA-N 1 0 396.579 3.383 50 0 GGAARO CCCn1ncc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000014978807 221323324 /nfs/dbraw/zinc/32/33/24/221323324.db2.gz UGEAFOQYSUSJFF-XJABCFGWSA-N 1 0 382.508 3.441 50 0 GGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000014542049 221312578 /nfs/dbraw/zinc/31/25/78/221312578.db2.gz WAEZWGLILFVCHT-KRWDZBQOSA-N 1 0 384.524 3.468 50 0 GGAARO CCn1nc(C(=O)NC)c2c1CC[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000014747790 221315270 /nfs/dbraw/zinc/31/52/70/221315270.db2.gz PNLMGZXVEUUBAX-HNNXBMFYSA-N 1 0 395.532 3.033 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)cc1 ZINC000014746597 221315871 /nfs/dbraw/zinc/31/58/71/221315871.db2.gz PCFHZWQKUUEVBB-UHFFFAOYSA-N 1 0 393.487 3.124 50 0 GGAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccco1)CC2 ZINC000014748513 221315942 /nfs/dbraw/zinc/31/59/42/221315942.db2.gz KRAYZKMGTWRBTN-UHFFFAOYSA-N 1 0 397.475 3.107 50 0 GGAARO Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)cc1 ZINC000014742964 221316028 /nfs/dbraw/zinc/31/60/28/221316028.db2.gz QVGKVHWENJCDMD-SFHVURJKSA-N 1 0 392.503 3.241 50 0 GGAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000014747200 221316071 /nfs/dbraw/zinc/31/60/71/221316071.db2.gz QMOGXDAXYJTGGL-LJQANCHMSA-N 1 0 378.520 3.008 50 0 GGAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1cccc(F)c1)CC2 ZINC000014753153 221316261 /nfs/dbraw/zinc/31/62/61/221316261.db2.gz ZSPLYLVCKMSKAF-KRWDZBQOSA-N 1 0 396.466 3.072 50 0 GGAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC000014746588 221316267 /nfs/dbraw/zinc/31/62/67/221316267.db2.gz ZQEURTOIGNNRGM-FQEVSTJZSA-N 1 0 392.547 3.393 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014746891 221316391 /nfs/dbraw/zinc/31/63/91/221316391.db2.gz YOHQNNOUEJOUAG-SFHVURJKSA-N 1 0 396.535 3.185 50 0 GGAARO CC1CC[NH+]([C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)CC1 ZINC000014749627 221316424 /nfs/dbraw/zinc/31/64/24/221316424.db2.gz GEUKUGDMAJOWNT-LJQANCHMSA-N 1 0 380.536 3.222 50 0 GGAARO Cc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)cc1 ZINC000014742963 221316496 /nfs/dbraw/zinc/31/64/96/221316496.db2.gz QVGKVHWENJCDMD-GOSISDBHSA-N 1 0 392.503 3.241 50 0 GGAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCC(c3ccccc3)CC1)C2 ZINC000014746589 221316543 /nfs/dbraw/zinc/31/65/43/221316543.db2.gz ZQEURTOIGNNRGM-HXUWFJFHSA-N 1 0 392.547 3.393 50 0 GGAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3cccc(OC)c3)CC2)C1=O ZINC000014755923 221318210 /nfs/dbraw/zinc/31/82/10/221318210.db2.gz JAMXMZWJMMHXEL-UHFFFAOYSA-N 1 0 387.524 3.360 50 0 GGAARO Nc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cn1 ZINC000014949737 221319069 /nfs/dbraw/zinc/31/90/69/221319069.db2.gz MJYCEWQMCUWVGN-INIZCTEOSA-N 1 0 394.504 3.033 50 0 GGAARO COc1ncc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cn1 ZINC000014960398 221320082 /nfs/dbraw/zinc/32/00/82/221320082.db2.gz DFURSLHWGKEYNU-JOCHJYFZSA-N 1 0 386.540 3.384 50 0 GGAARO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)cc2c1OCO2 ZINC000014959081 221320522 /nfs/dbraw/zinc/32/05/22/221320522.db2.gz JGILILHNLHRVCH-AWEZNQCLSA-N 1 0 388.489 3.127 50 0 GGAARO CCOc1ccc(C[NH2+]CCn2cc(C(=O)Nc3ccccc3C)nn2)cc1 ZINC000014953407 221320622 /nfs/dbraw/zinc/32/06/22/221320622.db2.gz FKUOCFIYAVXHAO-UHFFFAOYSA-N 1 0 379.464 3.027 50 0 GGAARO C[NH+](C)[C@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1 ZINC000014953940 221321032 /nfs/dbraw/zinc/32/10/32/221321032.db2.gz ARLJYSXRWHUOFZ-IBGZPJMESA-N 1 0 377.492 3.447 50 0 GGAARO O=C(CCN1CCCO1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000014960187 221321079 /nfs/dbraw/zinc/32/10/79/221321079.db2.gz ZXWDXIBGVASTCN-JOCHJYFZSA-N 1 0 377.573 3.299 50 0 GGAARO COCCN(Cc1c[nH]c(C)n1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000015079098 221333224 /nfs/dbraw/zinc/33/32/24/221333224.db2.gz VVZHKHWEHGYEFP-LJQANCHMSA-N 1 0 382.552 3.046 50 0 GGAARO CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000015319065 221334671 /nfs/dbraw/zinc/33/46/71/221334671.db2.gz UISKASFIXQBFMN-WHSLLNHNSA-N 1 0 399.535 3.452 50 0 GGAARO CCOc1cc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)ccc1OC ZINC000014989068 221324563 /nfs/dbraw/zinc/32/45/63/221324563.db2.gz YZULKCDQZLFAQI-UHFFFAOYSA-N 1 0 378.476 3.411 50 0 GGAARO C[C@H](CNC(=O)c1ccco1)Oc1cccc(C[N@H+](C)C2CCN(C)CC2)c1 ZINC000014994581 221324646 /nfs/dbraw/zinc/32/46/46/221324646.db2.gz GQBIPCKZJKVBMV-QGZVFWFLSA-N 1 0 385.508 3.003 50 0 GGAARO Cc1c(C[NH2+][C@@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)cnn1C ZINC000014996105 221324843 /nfs/dbraw/zinc/32/48/43/221324843.db2.gz FIYBKWZOGOAAGS-MRXNPFEDSA-N 1 0 399.564 3.193 50 0 GGAARO O=C(NC1CC1)c1cn(C2CC[NH+](Cc3cccc4ccccc43)CC2)nn1 ZINC000014989994 221324941 /nfs/dbraw/zinc/32/49/41/221324941.db2.gz WHPUOOFPWIXDOL-UHFFFAOYSA-N 1 0 375.476 3.161 50 0 GGAARO Cc1cc(CNC(=O)COc2ccc(-c3ccccc3)cc2C[NH+](C)C)on1 ZINC000015003580 221326348 /nfs/dbraw/zinc/32/63/48/221326348.db2.gz XZCMXOOFWGINJI-UHFFFAOYSA-N 1 0 379.460 3.407 50 0 GGAARO COc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)cn1 ZINC000015063710 221327681 /nfs/dbraw/zinc/32/76/81/221327681.db2.gz PRFDQYLCYOQDER-OAQYLSRUSA-N 1 0 388.462 3.252 50 0 GGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2ccccn2)C1 ZINC000015066488 221328894 /nfs/dbraw/zinc/32/88/94/221328894.db2.gz OEYPIELGGNJCTN-HXUWFJFHSA-N 1 0 395.547 3.436 50 0 GGAARO COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000015065760 221329079 /nfs/dbraw/zinc/32/90/79/221329079.db2.gz QTDRPTJEGMNKJO-NRFANRHFSA-N 1 0 394.515 3.481 50 0 GGAARO Cc1ccc(-n2cc(C[NH2+]C[C@@H]3COCCO3)c(-c3ccc(F)cc3)n2)cc1 ZINC000015065711 221329119 /nfs/dbraw/zinc/32/91/19/221329119.db2.gz IZHNKFASLLPPIT-OAQYLSRUSA-N 1 0 381.451 3.492 50 0 GGAARO O=C(C1CCOCC1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000015067588 221329297 /nfs/dbraw/zinc/32/92/97/221329297.db2.gz PYEYMFVKYSHOIS-SFHVURJKSA-N 1 0 392.490 3.452 50 0 GGAARO O=C(Cn1cccn1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015069959 221329815 /nfs/dbraw/zinc/32/98/15/221329815.db2.gz AUUNCMRDEASPFY-NRFANRHFSA-N 1 0 395.551 3.352 50 0 GGAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000015068293 221329935 /nfs/dbraw/zinc/32/99/35/221329935.db2.gz BNCCUJBHNDMYIP-HNNXBMFYSA-N 1 0 382.439 3.277 50 0 GGAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc43)C2)o1 ZINC000015065982 221329949 /nfs/dbraw/zinc/32/99/49/221329949.db2.gz NKRLOUMIVXPOIS-QGZVFWFLSA-N 1 0 399.516 3.327 50 0 GGAARO Cc1cccn2c(C[NH2+][C@@H](C)Cc3cccnc3)c(C(=O)N3CCCCC3)nc12 ZINC000015072592 221330509 /nfs/dbraw/zinc/33/05/09/221330509.db2.gz QRXSSLYWWXUFSE-SFHVURJKSA-N 1 0 391.519 3.385 50 0 GGAARO O=C(CCc1cn2ccccc2n1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015074506 221331352 /nfs/dbraw/zinc/33/13/52/221331352.db2.gz HIJOCHLWBVIFJW-FQEVSTJZSA-N 1 0 376.504 3.090 50 0 GGAARO O=C(CCc1cn2ccccc2n1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015074505 221331428 /nfs/dbraw/zinc/33/14/28/221331428.db2.gz HIJOCHLWBVIFJW-HXUWFJFHSA-N 1 0 376.504 3.090 50 0 GGAARO Clc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCN3CCOCC3)n2)cc1 ZINC000015074283 221331892 /nfs/dbraw/zinc/33/18/92/221331892.db2.gz UIHFJZUPGWBBLY-SFHVURJKSA-N 1 0 390.915 3.467 50 0 GGAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000015798993 221345479 /nfs/dbraw/zinc/34/54/79/221345479.db2.gz XIPZSAOLIQXKFT-HSALFYBXSA-N 1 0 390.568 3.410 50 0 GGAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000015798995 221345559 /nfs/dbraw/zinc/34/55/59/221345559.db2.gz XIPZSAOLIQXKFT-AABGKKOBSA-N 1 0 390.568 3.410 50 0 GGAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(OC)c(OC)c2)cc1 ZINC000017147091 221380108 /nfs/dbraw/zinc/38/01/08/221380108.db2.gz ZKJZSTCOHKJOLM-HSZRJFAPSA-N 1 0 397.495 3.363 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000017012580 221375424 /nfs/dbraw/zinc/37/54/24/221375424.db2.gz HZYYLIJUQNWSNC-UHFFFAOYSA-N 1 0 399.926 3.391 50 0 GGAARO O=C(c1ccoc1)N1CCC2(CC1)c1ccccc1[C@@H]([N@H+]1CC=CCC1)[C@@H]2O ZINC000019149020 221399405 /nfs/dbraw/zinc/39/94/05/221399405.db2.gz XYLSIACJXARZFX-RTWAWAEBSA-N 1 0 378.472 3.131 50 0 GGAARO O=c1[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1CCC2 ZINC000018191025 221388615 /nfs/dbraw/zinc/38/86/15/221388615.db2.gz BSYZDYQILDWLIY-UHFFFAOYSA-N 1 0 386.499 3.170 50 0 GGAARO COc1ccc(N2C(=O)C[C@H](N3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018220161 221389872 /nfs/dbraw/zinc/38/98/72/221389872.db2.gz YZFQOPUZIAAIPI-FQEVSTJZSA-N 1 0 382.435 3.346 50 0 GGAARO CCn1cc(-c2cc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)c3ccc(F)cc3n2)cn1 ZINC000019113335 221395804 /nfs/dbraw/zinc/39/58/04/221395804.db2.gz ODQRXUWVIGWCIZ-QGZVFWFLSA-N 1 0 395.482 3.424 50 0 GGAARO CC(=O)Nc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1 ZINC000019113993 221396392 /nfs/dbraw/zinc/39/63/92/221396392.db2.gz FPZWSXFYOJJPRW-UHFFFAOYSA-N 1 0 381.480 3.027 50 0 GGAARO O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000019596481 221437677 /nfs/dbraw/zinc/43/76/77/221437677.db2.gz YCYALAHMMRPDOU-OAHLLOKOSA-N 1 0 377.213 3.010 50 0 GGAARO CS(=O)(=O)c1ccc(-c2cccc(-c3ccn(C[C@@H]4CC[NH2+]C4)n3)c2)cc1 ZINC000019885330 221461030 /nfs/dbraw/zinc/46/10/30/221461030.db2.gz KREVXRXKNRPZTN-MRXNPFEDSA-N 1 0 381.501 3.230 50 0 GGAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4cccs4)ccc3n2C)CC1 ZINC000020706820 221508679 /nfs/dbraw/zinc/50/86/79/221508679.db2.gz HLCCAWMQFVPUMJ-UHFFFAOYSA-N 1 0 383.521 3.025 50 0 GGAARO Cn1c2ccccc2nc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020776099 221512813 /nfs/dbraw/zinc/51/28/13/221512813.db2.gz MHAMWIPNYAOJKI-NRFANRHFSA-N 1 0 389.547 3.360 50 0 GGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)[C@H]2C1 ZINC000426479766 533432222 /nfs/dbraw/zinc/43/22/22/533432222.db2.gz PVINSAKAUMWJNF-BAGYTPMASA-N 1 0 383.492 3.352 50 0 GGAARO COc1cccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1OC ZINC000426584941 533478388 /nfs/dbraw/zinc/47/83/88/533478388.db2.gz WPLCTAMOUMNIFK-IBGZPJMESA-N 1 0 380.488 3.342 50 0 GGAARO COc1ccc(CN(C(=O)NC[C@H]2CC[N@H+](C)C2)C2CCCCC2)c(OC)c1 ZINC000426422020 533515565 /nfs/dbraw/zinc/51/55/65/533515565.db2.gz QWISPDNHVLHHBX-QGZVFWFLSA-N 1 0 389.540 3.500 50 0 GGAARO COc1ccc(CN(Cc2ccncc2)C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000426412471 533549750 /nfs/dbraw/zinc/54/97/50/533549750.db2.gz UUPVERZFLZKMJC-UHFFFAOYSA-N 1 0 382.508 3.144 50 0 GGAARO COc1cccc(OC)c1CNC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000426661276 533629015 /nfs/dbraw/zinc/62/90/15/533629015.db2.gz OLTSUPZTFRCERS-UHFFFAOYSA-N 1 0 375.513 3.254 50 0 GGAARO Cc1ccc(C(N)=O)c(N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)n1 ZINC000426518819 533644316 /nfs/dbraw/zinc/64/43/16/533644316.db2.gz QIBJLQNBQNJPAL-XMMPIXPASA-N 1 0 392.547 3.414 50 0 GGAARO C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@@H+]3CC[C@H](n4ccnc4)C3)CC2)cc1 ZINC000039454732 132391470 /nfs/dbraw/zinc/39/14/70/132391470.db2.gz KWCSLOJBJUSRCR-GCJKJVERSA-N 1 0 393.535 3.314 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000055168373 132444096 /nfs/dbraw/zinc/44/40/96/132444096.db2.gz BNFCQJMSLSIWFE-QGZVFWFLSA-N 1 0 383.458 3.451 50 0 GGAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCN(c2ncccn2)CC1 ZINC000061999389 136156228 /nfs/dbraw/zinc/15/62/28/136156228.db2.gz MHZZOJLQEQTWPH-IVKZONNUSA-N 1 0 396.535 3.057 50 0 biogenic GGAARO Cc1ccc(C)c(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000064799801 136157680 /nfs/dbraw/zinc/15/76/80/136157680.db2.gz DBFPSLQPAVEZGF-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO Cc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000064800096 136157700 /nfs/dbraw/zinc/15/77/00/136157700.db2.gz IKQVQBDOHAIWJW-UHFFFAOYSA-N 1 0 380.496 3.048 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799718 136157702 /nfs/dbraw/zinc/15/77/02/136157702.db2.gz WCDCNLWPXUMDRB-UHFFFAOYSA-N 1 0 385.899 3.001 50 0 GGAARO CCc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000064800069 136157753 /nfs/dbraw/zinc/15/77/53/136157753.db2.gz WQKOPOOYPSDUAN-UHFFFAOYSA-N 1 0 394.523 3.302 50 0 GGAARO Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000065363693 136163488 /nfs/dbraw/zinc/16/34/88/136163488.db2.gz CRFGRPIVUBVKQZ-UHFFFAOYSA-N 1 0 379.508 3.492 50 0 GGAARO CCNc1nc(N2CCN(C(=O)Nc3cccc(SC)c3)CC2)cc(C)[nH+]1 ZINC000065364954 136163775 /nfs/dbraw/zinc/16/37/75/136163775.db2.gz NOYPTNWXLAYCPE-UHFFFAOYSA-N 1 0 386.525 3.293 50 0 GGAARO CCn1ccnc1C[N@@H+]1CCCC12CCN(c1cnc3ccccc3n1)CC2 ZINC000072409582 136169612 /nfs/dbraw/zinc/16/96/12/136169612.db2.gz FZHMYRAVRRNKAO-UHFFFAOYSA-N 1 0 376.508 3.481 50 0 GGAARO OCC[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CC[N@@H+]1Cc1cccs1 ZINC000072409343 136169616 /nfs/dbraw/zinc/16/96/16/136169616.db2.gz UBLFZVNLHFTTBC-GOSISDBHSA-N 1 0 380.517 3.278 50 0 GGAARO C[C@@H]1CN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C[C@H](C)O1 ZINC000072411607 136169650 /nfs/dbraw/zinc/16/96/50/136169650.db2.gz DUDQETZXCLEIIB-IYBDPMFKSA-N 1 0 386.927 3.413 50 0 GGAARO COCC1CC[NH+](Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 ZINC000072428976 136170153 /nfs/dbraw/zinc/17/01/53/136170153.db2.gz YCPWLTMEYJKUAS-OAQYLSRUSA-N 1 0 383.536 3.363 50 0 GGAARO Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3ccc(OCCO)cc3)CC2)n1 ZINC000072447799 136170868 /nfs/dbraw/zinc/17/08/68/136170868.db2.gz BJZPBKQEDVPTMH-UHFFFAOYSA-N 1 0 381.520 3.396 50 0 GGAARO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN3CC[NH+](C(C)C)CC3)cc2c1 ZINC000072480865 136171309 /nfs/dbraw/zinc/17/13/09/136171309.db2.gz RFHBMPWBRQYFPG-OAQYLSRUSA-N 1 0 382.552 3.030 50 0 GGAARO c1cc([C@H]2CCC[N@@H+](Cc3cc4ccccc4nc3N3CCOCC3)C2)n[nH]1 ZINC000077453090 136172224 /nfs/dbraw/zinc/17/22/24/136172224.db2.gz XYDAJKBBFIZGTK-SFHVURJKSA-N 1 0 377.492 3.174 50 0 GGAARO CNC(=O)c1ccnc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)c1 ZINC000091562720 136176717 /nfs/dbraw/zinc/17/67/17/136176717.db2.gz QULQZSQVCPSCHZ-HXUWFJFHSA-N 1 0 378.520 3.147 50 0 GGAARO CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CC[NH3+] ZINC000091663723 136176909 /nfs/dbraw/zinc/17/69/09/136176909.db2.gz WBXCVNRPGREHOE-OAQYLSRUSA-N 1 0 379.504 3.436 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000091907380 136177258 /nfs/dbraw/zinc/17/72/58/136177258.db2.gz GQIGBRNJLIAEKW-IBGZPJMESA-N 1 0 378.520 3.277 50 0 GGAARO Cc1cccc(N2CC[NH+](CCC(=O)NCCOc3ccc(C)c(C)c3)CC2)c1 ZINC000095390328 136178904 /nfs/dbraw/zinc/17/89/04/136178904.db2.gz KVLJERRHRCVWTB-UHFFFAOYSA-N 1 0 395.547 3.319 50 0 GGAARO Cc1nnc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c2ccccc12 ZINC000095497830 136179633 /nfs/dbraw/zinc/17/96/33/136179633.db2.gz PDKZGABFNKWQOL-SFHVURJKSA-N 1 0 378.524 3.470 50 0 GGAARO c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cc(N4CCCC4)cn[nH+]3)C2)n1 ZINC000095504246 136180098 /nfs/dbraw/zinc/18/00/98/136180098.db2.gz ZBLIWSANNIBFFJ-LJQANCHMSA-N 1 0 389.507 3.101 50 0 GGAARO Cc1cc(N2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)nc(N)[nH+]1 ZINC000095511750 136180732 /nfs/dbraw/zinc/18/07/32/136180732.db2.gz TUHOLLHSQYYEQS-OAHLLOKOSA-N 1 0 399.926 3.085 50 0 GGAARO Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)nc(N)[nH+]1 ZINC000096137411 136184060 /nfs/dbraw/zinc/18/40/60/136184060.db2.gz JPBTZKZWCRQCEK-LJQANCHMSA-N 1 0 391.519 3.132 50 0 GGAARO Cc1cc(N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c2ccccc2[nH+]1 ZINC000096139504 136184271 /nfs/dbraw/zinc/18/42/71/136184271.db2.gz BTQNBIVBHQIJRD-IBGZPJMESA-N 1 0 380.536 3.314 50 0 GGAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1F ZINC000105901185 136191479 /nfs/dbraw/zinc/19/14/79/136191479.db2.gz YKZYITYJODBZAE-QHCPKHFHSA-N 1 0 397.538 3.363 50 0 GGAARO O=C(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697935 136199761 /nfs/dbraw/zinc/19/97/61/136199761.db2.gz MQVSCJBJDQYHKO-UHFFFAOYSA-N 1 0 394.866 3.231 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1 ZINC000011697976 136199765 /nfs/dbraw/zinc/19/97/65/136199765.db2.gz LCZPMGMCBBVDEL-UHFFFAOYSA-N 1 0 389.463 3.278 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1C ZINC000011697920 136199806 /nfs/dbraw/zinc/19/98/06/136199806.db2.gz ZNLQYZGZXJVKKA-UHFFFAOYSA-N 1 0 388.475 3.194 50 0 GGAARO CCCOc1ccc(CN2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc1Cl ZINC000215583490 136203023 /nfs/dbraw/zinc/20/30/23/136203023.db2.gz TUVQCFUBZHNDLA-UHFFFAOYSA-N 1 0 375.904 3.132 50 0 GGAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NC1CCN(c2ccccc2F)CC1 ZINC000219936271 136204579 /nfs/dbraw/zinc/20/45/79/136204579.db2.gz RRWYBQOAKYGGIT-IBGZPJMESA-N 1 0 381.495 3.400 50 0 GGAARO CC(C)n1cnnc1CC[NH2+]C1CCN(c2cccc(-c3cnco3)c2)CC1 ZINC000023214314 221587688 /nfs/dbraw/zinc/58/76/88/221587688.db2.gz XHDOAXSFMLJDEL-UHFFFAOYSA-N 1 0 380.496 3.315 50 0 GGAARO CC(C)(C[NH2+][C@H]1CCCN(Cc2ccc(Cl)cc2)C1)CN1CCOCC1 ZINC000023358434 221593867 /nfs/dbraw/zinc/59/38/67/221593867.db2.gz XNINVBYWUOIZMY-FQEVSTJZSA-N 1 0 379.976 3.252 50 0 GGAARO C[N@@H+]1CCCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427860 222032401 /nfs/dbraw/zinc/03/24/01/222032401.db2.gz WGIUWJCLSHHNSE-UHFFFAOYSA-N 1 0 378.476 3.453 50 0 GGAARO COCC[NH+]1CCC(CN(Cc2nc3ccccc3[nH]2)Cc2ccncc2)CC1 ZINC000053537270 222011322 /nfs/dbraw/zinc/01/13/22/222011322.db2.gz PXNNMVMLTXLKCR-UHFFFAOYSA-N 1 0 393.535 3.319 50 0 GGAARO CCOC(=O)C1C(C[NH+]2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979048 222014654 /nfs/dbraw/zinc/01/46/54/222014654.db2.gz UISKASFIXQBFMN-CKJXQJPGSA-N 1 0 399.535 3.452 50 0 GGAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000054979066 222014911 /nfs/dbraw/zinc/01/49/11/222014911.db2.gz TYZIQZHTJJSKCH-FQEVSTJZSA-N 1 0 385.508 3.351 50 0 GGAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1c(F)cccc1F)CCO2 ZINC000055107614 222015556 /nfs/dbraw/zinc/01/55/56/222015556.db2.gz UJXUOSOBRQAPIU-OAQYLSRUSA-N 1 0 376.447 3.129 50 0 GGAARO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000055167078 222016229 /nfs/dbraw/zinc/01/62/29/222016229.db2.gz CZLWZKIPLFSFRF-FQEVSTJZSA-N 1 0 388.899 3.100 50 0 GGAARO CCSc1nc(CC(=O)NC[C@H](c2cccnc2)[NH+]2CCCC2)cs1 ZINC000055254505 222017642 /nfs/dbraw/zinc/01/76/42/222017642.db2.gz DQKIPULUHDINGG-MRXNPFEDSA-N 1 0 376.551 3.146 50 0 GGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000055228123 222017678 /nfs/dbraw/zinc/01/76/78/222017678.db2.gz AEWHZRREPXTPTI-KRWDZBQOSA-N 1 0 384.476 3.186 50 0 GGAARO Cc1ccc(NC(=O)C(C)C)c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000055254558 222018575 /nfs/dbraw/zinc/01/85/75/222018575.db2.gz ZHXPPDMPCHRENC-UHFFFAOYSA-N 1 0 394.519 3.379 50 0 GGAARO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000055228171 222018891 /nfs/dbraw/zinc/01/88/91/222018891.db2.gz VTUWTOOBXAFERQ-FQEVSTJZSA-N 1 0 398.551 3.165 50 0 GGAARO C[N@@H+](Cc1ccc(Sc2ncccn2)o1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000055402423 222021966 /nfs/dbraw/zinc/02/19/66/222021966.db2.gz QXJKBFJJDOPQJK-HNNXBMFYSA-N 1 0 386.521 3.444 50 0 GGAARO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000058979762 222056497 /nfs/dbraw/zinc/05/64/97/222056497.db2.gz HRMQEOCUSMGTOV-SJORKVTESA-N 1 0 375.472 3.248 50 0 biogenic GGAARO CCn1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@H]3C)c3ccccc3n2)cn1 ZINC000063832377 222067211 /nfs/dbraw/zinc/06/72/11/222067211.db2.gz CIFCFQPTSPPKCS-MRXNPFEDSA-N 1 0 377.492 3.284 50 0 GGAARO CCCCc1nc(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc(=O)[nH]1 ZINC000063832678 222067928 /nfs/dbraw/zinc/06/79/28/222067928.db2.gz BMRJLCDZCVNKMR-UHFFFAOYSA-N 1 0 383.492 3.263 50 0 GGAARO Cc1cccc2c(C(=O)N(C)C3CC[NH+](C)CC3)cc(-c3cnn(C)c3)nc12 ZINC000063883891 222068598 /nfs/dbraw/zinc/06/85/98/222068598.db2.gz QKRFRSZUFXNYKZ-UHFFFAOYSA-N 1 0 377.492 3.110 50 0 GGAARO Cc1ccc2c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063871623 222069226 /nfs/dbraw/zinc/06/92/26/222069226.db2.gz PVBAWSFRLZKDEZ-SFHVURJKSA-N 1 0 389.503 3.172 50 0 GGAARO Cc1ccc2c(C(=O)N(C)[C@H]3CC[N@H+](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063882738 222069640 /nfs/dbraw/zinc/06/96/40/222069640.db2.gz VUJXSXXLFMQGOA-KRWDZBQOSA-N 1 0 377.492 3.028 50 0 GGAARO Cc1ccc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)cc(-c3cnc(C)nc3)nc2c1C ZINC000063856396 222069844 /nfs/dbraw/zinc/06/98/44/222069844.db2.gz DJRGOESOPFEURF-SFHVURJKSA-N 1 0 389.503 3.393 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cc(F)cc(F)c3)CC2)C1)N1CCCC1 ZINC000071747468 222189311 /nfs/dbraw/zinc/18/93/11/222189311.db2.gz GZGFLZWHNVTPLL-SFHVURJKSA-N 1 0 391.506 3.264 50 0 GGAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2ccc3ccccc3c2)[nH+]1 ZINC000065362915 222124489 /nfs/dbraw/zinc/12/44/89/222124489.db2.gz HDXOLCLBTLKQNR-UHFFFAOYSA-N 1 0 375.476 3.380 50 0 GGAARO CC[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)CCC(=O)N1Cc1ccccc1 ZINC000071747515 222189425 /nfs/dbraw/zinc/18/94/25/222189425.db2.gz OHAJFDDRICDAEO-OAQYLSRUSA-N 1 0 382.504 3.071 50 0 GGAARO Cc1ccc(C(=O)N2CCC([NH2+]CC(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000065374297 222125988 /nfs/dbraw/zinc/12/59/88/222125988.db2.gz JZKCQNOAYGAZPA-UHFFFAOYSA-N 1 0 383.467 3.275 50 0 GGAARO CSc1ccccc1NC(=O)CCC(=O)N(C)CC[N@@H+]1CCCC[C@H]1C ZINC000065395998 222126101 /nfs/dbraw/zinc/12/61/01/222126101.db2.gz NZUDIHIPLRESOZ-MRXNPFEDSA-N 1 0 377.554 3.460 50 0 GGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1CCCn1cnc2ccccc2c1=O ZINC000065381640 222126676 /nfs/dbraw/zinc/12/66/76/222126676.db2.gz HPSDVCSPIATXNH-UHFFFAOYSA-N 1 0 386.459 3.191 50 0 GGAARO Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2)nn1 ZINC000065372452 222126735 /nfs/dbraw/zinc/12/67/35/222126735.db2.gz PYRRQXXJBJUYLW-FQEVSTJZSA-N 1 0 379.508 3.098 50 0 GGAARO CCOc1ccccc1NC(=O)CC(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000065371955 222126921 /nfs/dbraw/zinc/12/69/21/222126921.db2.gz BSFXEYYEHFZNCW-GOSISDBHSA-N 1 0 383.492 3.223 50 0 GGAARO CSc1ccccc1NC(=O)CCC(=O)N(C)CC[N@@H+]1CCCC[C@@H]1C ZINC000065395999 222127048 /nfs/dbraw/zinc/12/70/48/222127048.db2.gz NZUDIHIPLRESOZ-INIZCTEOSA-N 1 0 377.554 3.460 50 0 GGAARO CCn1cc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCCC[C@@H]2CO)cn1 ZINC000065404181 222127947 /nfs/dbraw/zinc/12/79/47/222127947.db2.gz LBRMENPTRBKTSY-HXUWFJFHSA-N 1 0 379.508 3.280 50 0 GGAARO Cc1ncc(CO)c(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O ZINC000065419437 222128391 /nfs/dbraw/zinc/12/83/91/222128391.db2.gz ZQJCJBDNBCGVRJ-SFHVURJKSA-N 1 0 391.471 3.345 50 0 GGAARO CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747611 222189549 /nfs/dbraw/zinc/18/95/49/222189549.db2.gz RYAFKIMXOBDIPM-OAQYLSRUSA-N 1 0 396.535 3.010 50 0 GGAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1Cc1ccc(N2CCNC2=O)cc1 ZINC000065526895 222133967 /nfs/dbraw/zinc/13/39/67/222133967.db2.gz LMYSQPWELPSUEU-UHFFFAOYSA-N 1 0 376.464 3.215 50 0 GGAARO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065912616 222135385 /nfs/dbraw/zinc/13/53/85/222135385.db2.gz KXQYCYLVNUOYQJ-UHFFFAOYSA-N 1 0 382.489 3.327 50 0 GGAARO CCC1(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071748310 222189876 /nfs/dbraw/zinc/18/98/76/222189876.db2.gz LBSXLBVJCDEBQM-HXUWFJFHSA-N 1 0 384.568 3.064 50 0 GGAARO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1C ZINC000071749350 222189910 /nfs/dbraw/zinc/18/99/10/222189910.db2.gz SIJIKAOIBOPGJO-OAQYLSRUSA-N 1 0 397.563 3.033 50 0 GGAARO COc1ccc(CSc2nc3ccccc3c(=O)n2CC[NH+](C)C)cc1F ZINC000067258714 222141908 /nfs/dbraw/zinc/14/19/08/222141908.db2.gz YQGXVOFVGRFFOL-UHFFFAOYSA-N 1 0 387.480 3.398 50 0 GGAARO Cc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)nnn1-c1cccc(F)c1C ZINC000067283411 222143112 /nfs/dbraw/zinc/14/31/12/222143112.db2.gz XDQKEJVFUFSUNW-UHFFFAOYSA-N 1 0 385.487 3.114 50 0 GGAARO CCc1ccc(Nc2nn[nH]c2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000067284179 222144421 /nfs/dbraw/zinc/14/44/21/222144421.db2.gz CFQAQXLBQHOGOW-UHFFFAOYSA-N 1 0 382.512 3.201 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC000071750590 222190113 /nfs/dbraw/zinc/19/01/13/222190113.db2.gz PSAGNROUPNMGST-SFHVURJKSA-N 1 0 378.520 3.194 50 0 GGAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1cc2cc(F)ccc2[nH]1 ZINC000067458868 222146474 /nfs/dbraw/zinc/14/64/74/222146474.db2.gz NEJMGBVAWQUMMF-JOCHJYFZSA-N 1 0 387.499 3.330 50 0 GGAARO Cc1ncsc1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067542270 222147796 /nfs/dbraw/zinc/14/77/96/222147796.db2.gz CKYRFMXCKPEPMN-FQEVSTJZSA-N 1 0 398.576 3.197 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000067601935 222148702 /nfs/dbraw/zinc/14/87/02/222148702.db2.gz VNALPOOLTWTQLA-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO COc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1F ZINC000067602048 222148855 /nfs/dbraw/zinc/14/88/55/222148855.db2.gz XYPWXDQFFOQNRJ-UHFFFAOYSA-N 1 0 394.468 3.108 50 0 GGAARO COc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000067601741 222148903 /nfs/dbraw/zinc/14/89/03/222148903.db2.gz BOHQPUPCPCPQDQ-UHFFFAOYSA-N 1 0 390.505 3.277 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c(C)c1 ZINC000067602160 222149409 /nfs/dbraw/zinc/14/94/09/222149409.db2.gz QRLUBACRDZQBPL-UHFFFAOYSA-N 1 0 393.535 3.355 50 0 GGAARO CCNc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(C)[nH+]1 ZINC000067603973 222150321 /nfs/dbraw/zinc/15/03/21/222150321.db2.gz WJWFCYTXEUDERT-UHFFFAOYSA-N 1 0 393.413 3.198 50 0 GGAARO CCNc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC000067620732 222151609 /nfs/dbraw/zinc/15/16/09/222151609.db2.gz SFAHNYRXKCWXOW-UHFFFAOYSA-N 1 0 393.413 3.198 50 0 GGAARO C[NH+]1CCC(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000067622228 222152473 /nfs/dbraw/zinc/15/24/73/222152473.db2.gz MVCGDHRSZZSNFP-UHFFFAOYSA-N 1 0 384.351 3.416 50 0 GGAARO CCCn1nc(C)c(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)c1C ZINC000067679083 222153472 /nfs/dbraw/zinc/15/34/72/222153472.db2.gz PVCIZKWHUYQNDU-UHFFFAOYSA-N 1 0 377.496 3.020 50 0 GGAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1C1CCCCCC1 ZINC000067690396 222155459 /nfs/dbraw/zinc/15/54/59/222155459.db2.gz QSBBHIVTUJMSTK-QFIPXVFZSA-N 1 0 387.499 3.381 50 0 GGAARO CN(Cc1ccoc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747612 222190415 /nfs/dbraw/zinc/19/04/15/222190415.db2.gz RYAFKIMXOBDIPM-NRFANRHFSA-N 1 0 396.535 3.010 50 0 GGAARO COc1ccc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000067740515 222157899 /nfs/dbraw/zinc/15/78/99/222157899.db2.gz PIAPBSKHDZTFAW-XMMPIXPASA-N 1 0 396.531 3.462 50 0 GGAARO O=C1N[C@](Cc2ccccc2Cl)(C2CC[NH2+]CC2)C(=O)N1C1CCCC1 ZINC000067739628 222158398 /nfs/dbraw/zinc/15/83/98/222158398.db2.gz HFGYNMYXBABGAJ-HXUWFJFHSA-N 1 0 375.900 3.115 50 0 GGAARO Cc1ncc(CO)c(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1O ZINC000067790143 222158937 /nfs/dbraw/zinc/15/89/37/222158937.db2.gz AQMQNUNLQCAQIA-QNWVGRARSA-N 1 0 382.504 3.240 50 0 GGAARO COc1ccccc1C[NH2+]C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067788822 222159053 /nfs/dbraw/zinc/15/90/53/222159053.db2.gz ZRJYWYKRMCBZSY-XMMPIXPASA-N 1 0 396.531 3.462 50 0 GGAARO C[N@@H+]1CC[C@H](C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)C1 ZINC000067774981 222159595 /nfs/dbraw/zinc/15/95/95/222159595.db2.gz ZCKONMIRIWFIHH-HNNXBMFYSA-N 1 0 386.879 3.385 50 0 GGAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 ZINC000067787725 222160057 /nfs/dbraw/zinc/16/00/57/222160057.db2.gz GHAQKDWUVXPWEJ-JOCHJYFZSA-N 1 0 377.492 3.159 50 0 GGAARO CC(C)Cc1nc(CN(C)c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)no1 ZINC000067817533 222160500 /nfs/dbraw/zinc/16/05/00/222160500.db2.gz QNTQQGPLWLEFML-UHFFFAOYSA-N 1 0 378.480 3.007 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3ccccn3)C2=O)cc1 ZINC000067817650 222160765 /nfs/dbraw/zinc/16/07/65/222160765.db2.gz AXEWCNXUBKAWMP-HSZRJFAPSA-N 1 0 381.520 3.191 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1cccc(F)c1F ZINC000067817059 222161654 /nfs/dbraw/zinc/16/16/54/222161654.db2.gz PGQYBSIDRAQLLS-QFIPXVFZSA-N 1 0 388.458 3.041 50 0 GGAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCCCCCCC3)C2=O)c1 ZINC000067821800 222161997 /nfs/dbraw/zinc/16/19/97/222161997.db2.gz PDPWILVLTPYWBW-JOCHJYFZSA-N 1 0 392.515 3.344 50 0 GGAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000067804520 222162283 /nfs/dbraw/zinc/16/22/83/222162283.db2.gz BBZKUTMDLGWMAV-QFIPXVFZSA-N 1 0 388.458 3.041 50 0 GGAARO C[C@H]([NH3+])CC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067850243 222162841 /nfs/dbraw/zinc/16/28/41/222162841.db2.gz AHAXUVLSBCKVGB-LBPRGKRZSA-N 1 0 383.473 3.127 50 0 GGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+](C)CCc3ccccn3)C2=O)cc1 ZINC000067847115 222163134 /nfs/dbraw/zinc/16/31/34/222163134.db2.gz MELJZOMKAQWIKV-XMMPIXPASA-N 1 0 395.547 3.233 50 0 GGAARO CC[C@H]1CN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CC[NH2+]1 ZINC000067847182 222163425 /nfs/dbraw/zinc/16/34/25/222163425.db2.gz QFEPNJXRXYUGRX-KRWDZBQOSA-N 1 0 395.459 3.239 50 0 GGAARO CC[N@H+](C)CC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067846862 222163576 /nfs/dbraw/zinc/16/35/76/222163576.db2.gz HNGMKOCNCUDQLM-UHFFFAOYSA-N 1 0 397.500 3.342 50 0 GGAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000067842720 222163717 /nfs/dbraw/zinc/16/37/17/222163717.db2.gz GKSUJHCFSMMKDO-CYBMUJFWSA-N 1 0 379.407 3.088 50 0 GGAARO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)s1 ZINC000067883683 222164816 /nfs/dbraw/zinc/16/48/16/222164816.db2.gz XRTBBVIYDDGRAL-GOSISDBHSA-N 1 0 382.493 3.025 50 0 GGAARO O=C(CCCN1CCCC1=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000067872840 222164994 /nfs/dbraw/zinc/16/49/94/222164994.db2.gz TWBABAXMUPTBIZ-HSZRJFAPSA-N 1 0 389.584 3.284 50 0 GGAARO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)COc2ccccc2)C3)n1 ZINC000067885295 222165140 /nfs/dbraw/zinc/16/51/40/222165140.db2.gz OZRZRPSAFWPEQR-HSZRJFAPSA-N 1 0 379.504 3.284 50 0 GGAARO CC(C)[C@H](C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C)c1ccc(Cl)cc1 ZINC000067883995 222165217 /nfs/dbraw/zinc/16/52/17/222165217.db2.gz OLOYTTFDOHQRBY-IBGZPJMESA-N 1 0 377.960 3.318 50 0 GGAARO CCn1nc(C)c(C[N@H+](CCOC)Cc2cc3ccc(F)cc3[nH]c2=O)c1C ZINC000067908400 222167905 /nfs/dbraw/zinc/16/79/05/222167905.db2.gz FRFCQEIEYSZLTA-UHFFFAOYSA-N 1 0 386.471 3.149 50 0 GGAARO C[N@@H+]1CCN(CCC(F)(F)F)CC12CCN(C(=O)CC1CCCC1)CC2 ZINC000067909862 222167978 /nfs/dbraw/zinc/16/79/78/222167978.db2.gz ODWAJPKMYADEDP-UHFFFAOYSA-N 1 0 375.479 3.128 50 0 GGAARO Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(CC[NH+]2CCCCC2)CCO3)n1 ZINC000067934684 222169393 /nfs/dbraw/zinc/16/93/93/222169393.db2.gz MIRWEMBPZCIGNT-UHFFFAOYSA-N 1 0 382.508 3.146 50 0 GGAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(Cl)c1 ZINC000070922192 222177463 /nfs/dbraw/zinc/17/74/63/222177463.db2.gz SZZHQOLTPZLINU-UHFFFAOYSA-N 1 0 383.876 3.069 50 0 GGAARO NC(=O)c1ccc(NC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000071279541 222178186 /nfs/dbraw/zinc/17/81/86/222178186.db2.gz JFPMPRJOUVDCFP-UHFFFAOYSA-N 1 0 385.467 3.445 50 0 GGAARO COCc1ncc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071405560 222183110 /nfs/dbraw/zinc/18/31/10/222183110.db2.gz JGIAOMVLEDRIBL-NRFANRHFSA-N 1 0 386.515 3.495 50 0 GGAARO CC(C)C1(NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071498575 222184927 /nfs/dbraw/zinc/18/49/27/222184927.db2.gz XBRNTHMSTIITEV-FQEVSTJZSA-N 1 0 384.568 3.063 50 0 GGAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CCN4CCCC4=O)C3)ccc2c1 ZINC000071498101 222185112 /nfs/dbraw/zinc/18/51/12/222185112.db2.gz YSDYSTMJSBLBFN-FQEVSTJZSA-N 1 0 380.488 3.366 50 0 GGAARO CC(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071498336 222185143 /nfs/dbraw/zinc/18/51/43/222185143.db2.gz ANIDMULLVBCXNW-NRFANRHFSA-N 1 0 386.584 3.263 50 0 GGAARO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071523659 222185247 /nfs/dbraw/zinc/18/52/47/222185247.db2.gz JNZKZXDYKDIVJU-OAQYLSRUSA-N 1 0 395.547 3.315 50 0 GGAARO O=C(NC(C1CC1)C1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071524341 222186162 /nfs/dbraw/zinc/18/61/62/222186162.db2.gz YKPHELCHQMBIKA-NRFANRHFSA-N 1 0 396.579 3.063 50 0 GGAARO CN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071422441 222186268 /nfs/dbraw/zinc/18/62/68/222186268.db2.gz UMFJHWSYPIZEII-FQEVSTJZSA-N 1 0 396.535 3.010 50 0 GGAARO CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071422440 222186287 /nfs/dbraw/zinc/18/62/87/222186287.db2.gz UMFJHWSYPIZEII-HXUWFJFHSA-N 1 0 396.535 3.010 50 0 GGAARO CC(C)[C@@H]1CN(CC(=O)N2CCCCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071551841 222186349 /nfs/dbraw/zinc/18/63/49/222186349.db2.gz YCGQAEJPSYCTSN-NRFANRHFSA-N 1 0 375.532 3.371 50 0 GGAARO Cc1ccccc1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071735799 222187138 /nfs/dbraw/zinc/18/71/38/222187138.db2.gz BBCCEMHDDIOUGV-NRFANRHFSA-N 1 0 397.563 3.066 50 0 GGAARO CC(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071746648 222187216 /nfs/dbraw/zinc/18/72/16/222187216.db2.gz IPGAFOLOWFWJLK-NRFANRHFSA-N 1 0 386.584 3.263 50 0 GGAARO CCC(CC)N(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071746378 222187335 /nfs/dbraw/zinc/18/73/35/222187335.db2.gz LKJBBFMWXRIRMR-FQEVSTJZSA-N 1 0 386.584 3.405 50 0 GGAARO CCCNc1ncc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000071707758 222187386 /nfs/dbraw/zinc/18/73/86/222187386.db2.gz DPFMUQAYEICKPP-BHDDXSALSA-N 1 0 377.536 3.361 50 0 GGAARO Cc1nnsc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071735555 222187767 /nfs/dbraw/zinc/18/77/67/222187767.db2.gz MSODPBULEBAMGA-QGZVFWFLSA-N 1 0 376.501 3.245 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3coc4ccccc34)CC2)C1 ZINC000071738845 222188299 /nfs/dbraw/zinc/18/82/99/222188299.db2.gz OPNSTCGQCPURFM-MRXNPFEDSA-N 1 0 395.503 3.028 50 0 GGAARO O=C(c1cncc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1)N1CCCC1 ZINC000071745916 222188494 /nfs/dbraw/zinc/18/84/94/222188494.db2.gz JPSNQCPVYPKTCB-SFHVURJKSA-N 1 0 380.492 3.160 50 0 GGAARO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1C ZINC000071749351 222189037 /nfs/dbraw/zinc/18/90/37/222189037.db2.gz SIJIKAOIBOPGJO-NRFANRHFSA-N 1 0 397.563 3.033 50 0 GGAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)nc2)C1 ZINC000071757225 222193178 /nfs/dbraw/zinc/19/31/78/222193178.db2.gz WYTLQIPTZYMEPA-QGZVFWFLSA-N 1 0 395.503 3.228 50 0 GGAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)sc1C ZINC000071762808 222193557 /nfs/dbraw/zinc/19/35/57/222193557.db2.gz FOYSGOKMVHUVAU-GOSISDBHSA-N 1 0 390.597 3.059 50 0 GGAARO Cc1nccn1CCC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071763447 222195211 /nfs/dbraw/zinc/19/52/11/222195211.db2.gz OALYPIGUPHTFKI-OAQYLSRUSA-N 1 0 386.515 3.480 50 0 GGAARO CCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)C1CC1 ZINC000071763846 222195394 /nfs/dbraw/zinc/19/53/94/222195394.db2.gz FWDITPCXKTUQPH-NRFANRHFSA-N 1 0 383.580 3.416 50 0 GGAARO CCOc1ncccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071764677 222195879 /nfs/dbraw/zinc/19/58/79/222195879.db2.gz KKXQAFOKRTYXCF-NJDAHSKKSA-N 1 0 377.488 3.183 50 0 GGAARO CC(C)c1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)co1 ZINC000071763560 222196235 /nfs/dbraw/zinc/19/62/35/222196235.db2.gz KCIOYLJIZVEXGP-SFHVURJKSA-N 1 0 388.556 3.097 50 0 GGAARO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1)c1ccccc1 ZINC000071776042 222197543 /nfs/dbraw/zinc/19/75/43/222197543.db2.gz FHOGKQZVBFHUSO-LJQANCHMSA-N 1 0 397.563 3.151 50 0 GGAARO Cn1ncc(C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)c1C1CC1 ZINC000072479762 222266044 /nfs/dbraw/zinc/26/60/44/222266044.db2.gz YSBFQHKJECSBDJ-UHFFFAOYSA-N 1 0 378.520 3.312 50 0 GGAARO O=C(c1ccccc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072119487 222207213 /nfs/dbraw/zinc/20/72/13/222207213.db2.gz OHUBTLWUVMRGBX-VLCRHTCISA-N 1 0 376.456 3.118 50 0 GGAARO CCOC(=O)CCC[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072120967 222207262 /nfs/dbraw/zinc/20/72/62/222207262.db2.gz JEXWARAOMLRGMR-ZLGUVYLKSA-N 1 0 378.463 3.170 50 0 GGAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)[nH+]1 ZINC000072115638 222207295 /nfs/dbraw/zinc/20/72/95/222207295.db2.gz OXLQCMNPILBIJZ-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO C[N@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CCSC2)Cc2ccccc2C1 ZINC000072126416 222208203 /nfs/dbraw/zinc/20/82/03/222208203.db2.gz NCXJUGKQQIELKH-NRFANRHFSA-N 1 0 380.557 3.320 50 0 GGAARO COc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000072130917 222208953 /nfs/dbraw/zinc/20/89/53/222208953.db2.gz AMOMMJJYXBCMAN-BHDDXSALSA-N 1 0 378.472 3.103 50 0 GGAARO Cc1cc(N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)nc(-c2ccccc2)n1 ZINC000072131911 222209494 /nfs/dbraw/zinc/20/94/94/222209494.db2.gz VQFLZWYEEWLVDU-YADHBBJMSA-N 1 0 386.499 3.365 50 0 GGAARO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)sc2[nH]cnc(=O)c12 ZINC000072135621 222210707 /nfs/dbraw/zinc/21/07/07/222210707.db2.gz ZKMGYBLQOVPPMP-CQSZACIVSA-N 1 0 388.537 3.210 50 0 GGAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3cc(C4CC4)ncn3)C2)CC1 ZINC000072137182 222210841 /nfs/dbraw/zinc/21/08/41/222210841.db2.gz JTVMLIKEEYQPJC-HXUWFJFHSA-N 1 0 377.536 3.453 50 0 GGAARO COCCO[C@H]1[C@H]([NH3+])c2ccccc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000072138712 222210861 /nfs/dbraw/zinc/21/08/61/222210861.db2.gz SSKOTVGLGAWVHW-MSOLQXFVSA-N 1 0 376.497 3.000 50 0 GGAARO CCOc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)cc1CO ZINC000072133927 222211109 /nfs/dbraw/zinc/21/11/09/222211109.db2.gz CFRZRTSWNJIUMR-UHFFFAOYSA-N 1 0 380.488 3.088 50 0 GGAARO COC(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072133235 222211295 /nfs/dbraw/zinc/21/12/95/222211295.db2.gz YOMQNJWYQIWPCG-LJQANCHMSA-N 1 0 378.488 3.228 50 0 GGAARO Cc1[nH]c2ccc(C(=O)N[C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)cc2c1C ZINC000072154404 222212324 /nfs/dbraw/zinc/21/23/24/222212324.db2.gz UJXSUYXJHMNNQY-YADHBBJMSA-N 1 0 389.499 3.252 50 0 GGAARO Cc1c[nH]c(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)c1=O ZINC000072153623 222212417 /nfs/dbraw/zinc/21/24/17/222212417.db2.gz DKHKGCYJWJZJQS-KSEOMHKRSA-N 1 0 381.495 3.193 50 0 GGAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3noc(C(C)C)n3)C2)cc1OC ZINC000072154050 222212463 /nfs/dbraw/zinc/21/24/63/222212463.db2.gz OZSMVKAXXLYSTA-QGZVFWFLSA-N 1 0 388.512 3.354 50 0 GGAARO NC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000072153320 222213503 /nfs/dbraw/zinc/21/35/03/222213503.db2.gz PYGZVBXCVHSKFE-QHCPKHFHSA-N 1 0 378.520 3.106 50 0 GGAARO c1coc(-c2nnc(CN3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CC[NH+]4CC3)o2)c1 ZINC000072167719 222214486 /nfs/dbraw/zinc/21/44/86/222214486.db2.gz COLIGWPZHCOMDU-IOMROCGXSA-N 1 0 376.460 3.392 50 0 GGAARO CN(Cc1ncc[nH]1)C(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072161811 222214759 /nfs/dbraw/zinc/21/47/59/222214759.db2.gz IPOZPXUOBUKOSU-UHFFFAOYSA-N 1 0 388.515 3.080 50 0 GGAARO CN(C(=O)c1ccc2n[nH]nc2c1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072161579 222215084 /nfs/dbraw/zinc/21/50/84/222215084.db2.gz IWSNBVBQIMDWQF-IBGZPJMESA-N 1 0 377.492 3.127 50 0 GGAARO Cc1ccc([C@H]2CN(C(=O)CCCn3ccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072168550 222215265 /nfs/dbraw/zinc/21/52/65/222215265.db2.gz PICCDUJGFQMYFU-YMPZKCBVSA-N 1 0 378.520 3.061 50 0 GGAARO COC(=O)CCCC[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072165861 222215548 /nfs/dbraw/zinc/21/55/48/222215548.db2.gz UQGCKDHWVPQJOA-ZLGUVYLKSA-N 1 0 378.463 3.170 50 0 GGAARO Cn1ncc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1C1CC1 ZINC000072174114 222216553 /nfs/dbraw/zinc/21/65/53/222216553.db2.gz LTHSLUMMGQBBLY-MDNUFGMLSA-N 1 0 380.511 3.499 50 0 GGAARO O=C(c1ccnc(N[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1)N1CCCC1 ZINC000072409144 222255306 /nfs/dbraw/zinc/25/53/06/222255306.db2.gz WHGRFSQWNOQDKJ-NRFANRHFSA-N 1 0 378.520 3.437 50 0 GGAARO Cc1nn(C)c2nc(C)nc(N3CCC[N@H+](CCCc4ccccc4)CC3)c12 ZINC000072410104 222255454 /nfs/dbraw/zinc/25/54/54/222255454.db2.gz FYBNNOURUUXHNH-UHFFFAOYSA-N 1 0 378.524 3.125 50 0 GGAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1ccccc1CCc1ccccn1 ZINC000072423519 222256477 /nfs/dbraw/zinc/25/64/77/222256477.db2.gz AQNNQFLXBGPQSL-UHFFFAOYSA-N 1 0 389.503 3.128 50 0 GGAARO C[C@H](CN1CC2(CC[NH+](Cc3cccnc3N)CC2)OC1=O)c1ccccc1 ZINC000072418629 222256597 /nfs/dbraw/zinc/25/65/97/222256597.db2.gz ULVQAHOXNZDQPN-QGZVFWFLSA-N 1 0 380.492 3.254 50 0 GGAARO O[C@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)c1cc2ccccc2s1 ZINC000072419413 222256789 /nfs/dbraw/zinc/25/67/89/222256789.db2.gz NWXURFDEULNYQF-QGZVFWFLSA-N 1 0 379.489 3.188 50 0 GGAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)c(C)cc1C ZINC000072414636 222257409 /nfs/dbraw/zinc/25/74/09/222257409.db2.gz NFFPGOFCNQVPAY-UHFFFAOYSA-N 1 0 377.348 3.076 50 0 GGAARO CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072422325 222258011 /nfs/dbraw/zinc/25/80/11/222258011.db2.gz IVNYYEWEPGCGDN-OAQYLSRUSA-N 1 0 388.552 3.107 50 0 GGAARO CO[C@H]1[C@H](NC(=O)c2cc3ccccc3[nH]2)c2ccccc2C12CC[NH2+]CC2 ZINC000072430217 222258880 /nfs/dbraw/zinc/25/88/80/222258880.db2.gz NARYAWBQSDFOQL-RTWAWAEBSA-N 1 0 375.472 3.289 50 0 GGAARO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000072429519 222259062 /nfs/dbraw/zinc/25/90/62/222259062.db2.gz KCYLDQGOGZTSPW-HNNXBMFYSA-N 1 0 381.480 3.391 50 0 GGAARO Cn1ncc2c1nc(-c1ccncc1)nc2NC[C@H](c1cccs1)[NH+](C)C ZINC000072434802 222260368 /nfs/dbraw/zinc/26/03/68/222260368.db2.gz VCQVEYLGBZSMIM-OAHLLOKOSA-N 1 0 379.493 3.202 50 0 GGAARO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000072432028 222260900 /nfs/dbraw/zinc/26/09/00/222260900.db2.gz XMPOLJJTPBDDQM-QGZVFWFLSA-N 1 0 380.448 3.200 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4nccnc4C)C3)C2)c1OC ZINC000072453988 222262844 /nfs/dbraw/zinc/26/28/44/222262844.db2.gz FEHBRMXKDLOSQL-JOCHJYFZSA-N 1 0 382.508 3.295 50 0 GGAARO Clc1ccccc1C1(c2ccnc(NCCc3c[nH]cn3)n2)CC[NH2+]CC1 ZINC000072463398 222263298 /nfs/dbraw/zinc/26/32/98/222263298.db2.gz GNNKQTGJTKJQNZ-UHFFFAOYSA-N 1 0 382.899 3.177 50 0 GGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](NC(C)=O)C2)c1 ZINC000072473594 222264317 /nfs/dbraw/zinc/26/43/17/222264317.db2.gz PGQIDNGUYWUUHU-FQEVSTJZSA-N 1 0 390.487 3.258 50 0 GGAARO Clc1ccccc1C1(c2ccnc(NCCn3cccn3)n2)CC[NH2+]CC1 ZINC000072477272 222265516 /nfs/dbraw/zinc/26/55/16/222265516.db2.gz RRUPMKKFDGOMQL-UHFFFAOYSA-N 1 0 382.899 3.108 50 0 GGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)c1C ZINC000071756798 222191582 /nfs/dbraw/zinc/19/15/82/222191582.db2.gz LSRWUHZVESYKHU-QGZVFWFLSA-N 1 0 384.568 3.379 50 0 GGAARO COC(=O)[C@H](CCCC[NH3+])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095093259 222330084 /nfs/dbraw/zinc/33/00/84/222330084.db2.gz GVPOEEOUPWFEMT-FQEVSTJZSA-N 1 0 382.460 3.196 50 0 GGAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccnc2-c2ccccc2)C1 ZINC000095498277 222332118 /nfs/dbraw/zinc/33/21/18/222332118.db2.gz DJUUFFPHOHMBIE-FQEVSTJZSA-N 1 0 388.515 3.497 50 0 GGAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cc[nH]c1C ZINC000095498872 222332149 /nfs/dbraw/zinc/33/21/49/222332149.db2.gz FMUACMKGQDGKAB-UHFFFAOYSA-N 1 0 387.499 3.463 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 ZINC000095496948 222332340 /nfs/dbraw/zinc/33/23/40/222332340.db2.gz UTHBGPYLMFXJLI-INIZCTEOSA-N 1 0 390.478 3.062 50 0 GGAARO Cc1cc(C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)on1 ZINC000095498229 222332597 /nfs/dbraw/zinc/33/25/97/222332597.db2.gz YLNZUSXFLABLGC-UHFFFAOYSA-N 1 0 385.464 3.385 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c(C)c1 ZINC000095497295 222332864 /nfs/dbraw/zinc/33/28/64/222332864.db2.gz VLPLRMVRZZZUHM-GOSISDBHSA-N 1 0 384.524 3.172 50 0 GGAARO Cc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccc(C)cc4)[C@H]([NH+](C)C)C3)[nH]n2)o1 ZINC000095499926 222333693 /nfs/dbraw/zinc/33/36/93/222333693.db2.gz AGPWLNHZMHWVKW-FXAWDEMLSA-N 1 0 378.476 3.456 50 0 GGAARO Cc1ccc(C(N)=O)cc1NC(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000095502024 222334163 /nfs/dbraw/zinc/33/41/63/222334163.db2.gz RGZFPDLBWVSHGB-GOSISDBHSA-N 1 0 380.492 3.013 50 0 GGAARO Cc1ccc(C2(C(=O)N3CCC[C@H](c4nccn4CC[NH+](C)C)C3)CC2)cc1 ZINC000095500889 222334426 /nfs/dbraw/zinc/33/44/26/222334426.db2.gz LZGYMFWKFBIYKQ-IBGZPJMESA-N 1 0 380.536 3.191 50 0 GGAARO Cc1ccc(C(N)=O)cc1NC(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000095502025 222334576 /nfs/dbraw/zinc/33/45/76/222334576.db2.gz RGZFPDLBWVSHGB-SFHVURJKSA-N 1 0 380.492 3.013 50 0 GGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+]1CCCc1cccnc1 ZINC000095500575 222334592 /nfs/dbraw/zinc/33/45/92/222334592.db2.gz RUQFRIXKRQZIPP-NRFANRHFSA-N 1 0 375.476 3.303 50 0 GGAARO CCOc1ccccc1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095500776 222334602 /nfs/dbraw/zinc/33/46/02/222334602.db2.gz GVIATNBZRDJNCV-SFHVURJKSA-N 1 0 384.524 3.253 50 0 GGAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)no1 ZINC000095500946 222334804 /nfs/dbraw/zinc/33/48/04/222334804.db2.gz KASJSDXYFNCFPW-HNNXBMFYSA-N 1 0 397.454 3.154 50 0 GGAARO COc1ccc([C@@H]2CN(Cc3cnn(-c4ccccc4)c3)C[C@H]2[NH+](C)C)cc1 ZINC000095504187 222335758 /nfs/dbraw/zinc/33/57/58/222335758.db2.gz RZUWYDUESPWFRH-XZOQPEGZSA-N 1 0 376.504 3.411 50 0 GGAARO O=C(c1ccc2c(c1)CCO2)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095503616 222335855 /nfs/dbraw/zinc/33/58/55/222335855.db2.gz UPTZLAHANTZDOR-MDNUFGMLSA-N 1 0 392.474 3.463 50 0 GGAARO C[C@@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095506449 222337563 /nfs/dbraw/zinc/33/75/63/222337563.db2.gz GKYPMLMPFUKUCP-CQSZACIVSA-N 1 0 385.439 3.142 50 0 GGAARO Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(C)n1 ZINC000095507503 222337938 /nfs/dbraw/zinc/33/79/38/222337938.db2.gz ZMKKRVMOUAWDCI-IBGZPJMESA-N 1 0 384.499 3.259 50 0 GGAARO Cc1ccc(C)c(CC(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1 ZINC000095505668 222337950 /nfs/dbraw/zinc/33/79/50/222337950.db2.gz PCWUDHCWZMQWGI-HXUWFJFHSA-N 1 0 382.552 3.400 50 0 GGAARO CCn1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c(C)n1 ZINC000095507429 222338317 /nfs/dbraw/zinc/33/83/17/222338317.db2.gz IDPLBBUSCIEUKA-PWRODBHTSA-N 1 0 382.483 3.053 50 0 GGAARO C[NH+](C)Cc1ccc(CSCCNC(=O)[C@H]2CCOc3ccccc3C2)o1 ZINC000095506257 222338714 /nfs/dbraw/zinc/33/87/14/222338714.db2.gz BORQBYNJFWJSJH-KRWDZBQOSA-N 1 0 388.533 3.332 50 0 GGAARO CC(C)=CCN1CC2(CC1=O)CC[NH+](C[C@@H]1CC(c3ccccc3)=NO1)CC2 ZINC000095506978 222338856 /nfs/dbraw/zinc/33/88/56/222338856.db2.gz RJLKQZOVGWLMNC-FQEVSTJZSA-N 1 0 381.520 3.460 50 0 GGAARO C[C@@H]([NH3+])C(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000095506500 222338873 /nfs/dbraw/zinc/33/88/73/222338873.db2.gz VTMIZJPPUKFVFQ-GFCCVEGCSA-N 1 0 391.393 3.190 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000095506753 222338990 /nfs/dbraw/zinc/33/89/90/222338990.db2.gz OGBNNWBGGPXVBX-OAHLLOKOSA-N 1 0 385.537 3.397 50 0 GGAARO C[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000095506583 222339205 /nfs/dbraw/zinc/33/92/05/222339205.db2.gz GKYPMLMPFUKUCP-AWEZNQCLSA-N 1 0 385.439 3.142 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(Cl)ccc1F)CC2 ZINC000095507676 222340058 /nfs/dbraw/zinc/34/00/58/222340058.db2.gz UYBNNQCCCOSYJU-UHFFFAOYSA-N 1 0 376.863 3.212 50 0 GGAARO CCC1=NO[C@H](C[NH+]2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)C1 ZINC000095508942 222340392 /nfs/dbraw/zinc/34/03/92/222340392.db2.gz WUQRFGSOEVXYTJ-FQEVSTJZSA-N 1 0 381.480 3.078 50 0 GGAARO CSc1ccccc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095508248 222340807 /nfs/dbraw/zinc/34/08/07/222340807.db2.gz SXCHCMHIRIJLEB-UHFFFAOYSA-N 1 0 396.560 3.418 50 0 GGAARO CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)ccn1 ZINC000095508144 222341151 /nfs/dbraw/zinc/34/11/51/222341151.db2.gz FCMWHQVTBJXPQJ-UHFFFAOYSA-N 1 0 381.524 3.013 50 0 GGAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ncc[nH]1 ZINC000095512781 222341551 /nfs/dbraw/zinc/34/15/51/222341551.db2.gz FVQMXHOZSOVNQQ-UHFFFAOYSA-N 1 0 394.441 3.455 50 0 GGAARO COCCN(Cc1ccncc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000095511137 222341751 /nfs/dbraw/zinc/34/17/51/222341751.db2.gz CLSYYERTPHMHPG-OAQYLSRUSA-N 1 0 379.548 3.409 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3ncsc3c1)CC2 ZINC000095510834 222342192 /nfs/dbraw/zinc/34/21/92/222342192.db2.gz QKCGEPUAIYEXEM-UHFFFAOYSA-N 1 0 381.505 3.029 50 0 GGAARO O=C(c1ccc2c(c1)OCO2)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095511470 222342276 /nfs/dbraw/zinc/34/22/76/222342276.db2.gz JEDAVTHQYUPKKV-VLCRHTCISA-N 1 0 394.446 3.257 50 0 GGAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](Cc1ccccc1OCCO)CC2 ZINC000095510571 222342687 /nfs/dbraw/zinc/34/26/87/222342687.db2.gz ZZIYHTUAJPOWAT-UHFFFAOYSA-N 1 0 394.515 3.072 50 0 GGAARO C[C@@H](NC(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1)c1nncn1C ZINC000095511215 222343098 /nfs/dbraw/zinc/34/30/98/222343098.db2.gz GPULFVLPJQCYAE-MRXNPFEDSA-N 1 0 399.539 3.195 50 0 GGAARO COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)cc1C ZINC000095511072 222343117 /nfs/dbraw/zinc/34/31/17/222343117.db2.gz KENGRWNLFNSEFS-IBGZPJMESA-N 1 0 384.524 3.172 50 0 GGAARO COc1cccc2ccc(CN3CC[N@@H+](C4CCCCC4)[C@H](CCO)C3)nc21 ZINC000077011146 222272004 /nfs/dbraw/zinc/27/20/04/222272004.db2.gz SUOLQVDVRQVORO-OAQYLSRUSA-N 1 0 383.536 3.445 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1F ZINC000077104271 222273813 /nfs/dbraw/zinc/27/38/13/222273813.db2.gz ZUJQAMTXBDSYOF-UHFFFAOYSA-N 1 0 389.496 3.130 50 0 GGAARO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1C ZINC000077104264 222274803 /nfs/dbraw/zinc/27/48/03/222274803.db2.gz APALXSAPWYTEMT-UHFFFAOYSA-N 1 0 385.533 3.299 50 0 GGAARO O=C(C[NH+]1CCC(COCc2ccc(F)cc2)CC1)NCCc1ccccc1 ZINC000077191537 222275420 /nfs/dbraw/zinc/27/54/20/222275420.db2.gz JCHQNKOBNNNTBI-UHFFFAOYSA-N 1 0 384.495 3.413 50 0 GGAARO COCCCN1C[C@]2(CCC[N@H+](Cc3cccc4ncccc34)C2)CCC1=O ZINC000077323187 222277816 /nfs/dbraw/zinc/27/78/16/222277816.db2.gz FUQTYYNAHKVZBE-HSZRJFAPSA-N 1 0 381.520 3.476 50 0 GGAARO CSCC[C@H]([NH3+])C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000077355238 222278780 /nfs/dbraw/zinc/27/87/80/222278780.db2.gz DWSRODFVSRYRRM-KRWDZBQOSA-N 1 0 376.501 3.002 50 0 GGAARO Cc1nn(CCO)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000077387030 222279399 /nfs/dbraw/zinc/27/93/99/222279399.db2.gz FYXDONNLGQZXDD-IBGZPJMESA-N 1 0 379.508 3.262 50 0 GGAARO O=C(c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1)N1CCC[NH2+]CC1 ZINC000077439356 222281069 /nfs/dbraw/zinc/28/10/69/222281069.db2.gz IYAAQBMDFSJUJQ-UHFFFAOYSA-N 1 0 396.535 3.154 50 0 GGAARO O=C(c1cccc(-n2cccn2)c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000077438780 222281458 /nfs/dbraw/zinc/28/14/58/222281458.db2.gz KYYIUGHKBQKSFN-JOCHJYFZSA-N 1 0 386.499 3.188 50 0 GGAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)cn1 ZINC000077436969 222281475 /nfs/dbraw/zinc/28/14/75/222281475.db2.gz LVQMIDAPQGOHNJ-KRWDZBQOSA-N 1 0 380.471 3.451 50 0 GGAARO [NH3+]C1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 ZINC000077486468 222282945 /nfs/dbraw/zinc/28/29/45/222282945.db2.gz KKJMFYMWTMMTTC-UHFFFAOYSA-N 1 0 396.535 3.282 50 0 GGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](C[C@H](O)c2ccccc2)CC3)c1 ZINC000077489527 222283015 /nfs/dbraw/zinc/28/30/15/222283015.db2.gz IEMSFQKNFCSGHW-QFIPXVFZSA-N 1 0 394.515 3.243 50 0 GGAARO CCc1ocnc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000095517618 222344400 /nfs/dbraw/zinc/34/44/00/222344400.db2.gz WAEFHQFVBHBLEY-KRWDZBQOSA-N 1 0 385.508 3.272 50 0 GGAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ncc[nH]1 ZINC000095517343 222344437 /nfs/dbraw/zinc/34/44/37/222344437.db2.gz NKNJNPFNRMJKIU-MRXNPFEDSA-N 1 0 394.441 3.455 50 0 GGAARO COc1ccccc1NC(=O)COc1coc(C[NH+]2CCCCCC2)cc1=O ZINC000079464666 222305576 /nfs/dbraw/zinc/30/55/76/222305576.db2.gz OZCJUCFTBDEAFJ-UHFFFAOYSA-N 1 0 386.448 3.042 50 0 GGAARO CCC(C)(CC)NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106741 222307813 /nfs/dbraw/zinc/30/78/13/222307813.db2.gz NZKDWAZCCIJVEV-FQEVSTJZSA-N 1 0 386.584 3.453 50 0 GGAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3nccc4ccccc43)cc2C1 ZINC000082106968 222307838 /nfs/dbraw/zinc/30/78/38/222307838.db2.gz FLUDZKHQTWUWIQ-UHFFFAOYSA-N 1 0 377.492 3.223 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3F)c2)C1)c1cccnc1 ZINC000095516818 222344566 /nfs/dbraw/zinc/34/45/66/222344566.db2.gz WESMDMXUQGUNSV-KRWDZBQOSA-N 1 0 393.466 3.048 50 0 GGAARO CC1(C)CCCN1C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106690 222308902 /nfs/dbraw/zinc/30/89/02/222308902.db2.gz YDJGOTUGNIFRCP-HXUWFJFHSA-N 1 0 384.568 3.159 50 0 GGAARO O=C(NCCC1CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082107768 222308956 /nfs/dbraw/zinc/30/89/56/222308956.db2.gz STFJEKKYUJIBQL-QFIPXVFZSA-N 1 0 398.595 3.455 50 0 GGAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCC12CC2 ZINC000082121543 222309806 /nfs/dbraw/zinc/30/98/06/222309806.db2.gz OVFOIENRDQDUDH-OAQYLSRUSA-N 1 0 396.579 3.303 50 0 GGAARO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1 ZINC000082121110 222310421 /nfs/dbraw/zinc/31/04/21/222310421.db2.gz FLMGAKKNVMITMF-QHCPKHFHSA-N 1 0 380.536 3.419 50 0 GGAARO CC(C)C1(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082128025 222310575 /nfs/dbraw/zinc/31/05/75/222310575.db2.gz JTVORVRRMAEZQW-NRFANRHFSA-N 1 0 398.595 3.310 50 0 GGAARO COc1ccc(C[NH+]2CCC(Cc3nnc(SC)n3C)CC2)c(OC)c1 ZINC000082120368 222310630 /nfs/dbraw/zinc/31/06/30/222310630.db2.gz XULCRSGYJFEYND-UHFFFAOYSA-N 1 0 376.526 3.009 50 0 GGAARO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1 ZINC000082121111 222310638 /nfs/dbraw/zinc/31/06/38/222310638.db2.gz FLMGAKKNVMITMF-HSZRJFAPSA-N 1 0 380.536 3.419 50 0 GGAARO CCCC1(NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082121060 222310758 /nfs/dbraw/zinc/31/07/58/222310758.db2.gz FXXSZYOMBMPFMZ-HXUWFJFHSA-N 1 0 384.568 3.207 50 0 GGAARO COc1cccc(NC(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)c1 ZINC000082148360 222311036 /nfs/dbraw/zinc/31/10/36/222311036.db2.gz GCMKGDVTVOIJIE-UHFFFAOYSA-N 1 0 383.496 3.362 50 0 GGAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCC12CC2 ZINC000082121178 222311394 /nfs/dbraw/zinc/31/13/94/222311394.db2.gz ZWJFPNSPANMJMX-NRFANRHFSA-N 1 0 396.579 3.303 50 0 GGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3cc(C)nc4ccccc43)cc2C1 ZINC000082166946 222313218 /nfs/dbraw/zinc/31/32/18/222313218.db2.gz YOVORBHWUFNUFM-UHFFFAOYSA-N 1 0 377.492 3.285 50 0 GGAARO COc1cccc2c1OC[C@H](C[NH2+]C1CCN(C(=O)c3ccccc3)CC1)C2 ZINC000095519460 222346958 /nfs/dbraw/zinc/34/69/58/222346958.db2.gz BZPNCUQHCKHODU-KRWDZBQOSA-N 1 0 380.488 3.141 50 0 GGAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc[nH]n2)CC1 ZINC000095519545 222347220 /nfs/dbraw/zinc/34/72/20/222347220.db2.gz BXPMGOILPVFOHF-NRFANRHFSA-N 1 0 396.535 3.252 50 0 GGAARO CC[C@H](Cn1ccnc1)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095523600 222347948 /nfs/dbraw/zinc/34/79/48/222347948.db2.gz HDBBODYDWOGZHK-QGZVFWFLSA-N 1 0 382.537 3.439 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(C)cc43)C[C@H]2[NH+](C)C)cc1 ZINC000095522460 222348299 /nfs/dbraw/zinc/34/82/99/222348299.db2.gz UEECYYYIHYGXHG-RBBKRZOGSA-N 1 0 389.499 3.315 50 0 GGAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000095522612 222348706 /nfs/dbraw/zinc/34/87/06/222348706.db2.gz SKKDTJREQKNAIV-UHFFFAOYSA-N 1 0 384.911 3.349 50 0 GGAARO COc1ccc([C@@H]2CN(Cc3nc4ccccc4nc3C)C[C@H]2[NH+](C)C)cc1 ZINC000095524159 222349142 /nfs/dbraw/zinc/34/91/42/222349142.db2.gz DHVYHHMSNYKJBL-WMZHIEFXSA-N 1 0 376.504 3.476 50 0 GGAARO CC[NH+]1CCC(N(CCc2ccccn2)c2nc3c(s2)c(C)nn3C)CC1 ZINC000095525262 222349339 /nfs/dbraw/zinc/34/93/39/222349339.db2.gz GYHHYSLCKQPCDU-UHFFFAOYSA-N 1 0 384.553 3.267 50 0 GGAARO O=C(c1n[nH]c2c1CCCC2)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095526954 222350053 /nfs/dbraw/zinc/35/00/53/222350053.db2.gz HSGQLORFWCGVEZ-VLCRHTCISA-N 1 0 394.494 3.130 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1)c1cccnc1 ZINC000095527250 222351076 /nfs/dbraw/zinc/35/10/76/222351076.db2.gz RDRUYVGYOLWYOF-QGZVFWFLSA-N 1 0 376.460 3.379 50 0 GGAARO CCOc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095526655 222351323 /nfs/dbraw/zinc/35/13/23/222351323.db2.gz UTJQZQQWDYDYQW-UHFFFAOYSA-N 1 0 394.519 3.094 50 0 GGAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1ccsc1)CC2 ZINC000095526139 222351508 /nfs/dbraw/zinc/35/15/08/222351508.db2.gz NENXEVUOKILOEL-UHFFFAOYSA-N 1 0 386.565 3.436 50 0 GGAARO CCn1ccc(C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1=O ZINC000095525860 222351742 /nfs/dbraw/zinc/35/17/42/222351742.db2.gz BMPNJGCKPHKNAQ-UHFFFAOYSA-N 1 0 399.510 3.034 50 0 GGAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(/C=C/c2ccccn2)cc1 ZINC000095530085 222352509 /nfs/dbraw/zinc/35/25/09/222352509.db2.gz QGRRWOHZJLWPMJ-OYIMBBQMSA-N 1 0 380.492 3.481 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccn(C(F)F)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095530395 222352930 /nfs/dbraw/zinc/35/29/30/222352930.db2.gz ARACHTCSXIVQPD-QXAKKESOSA-N 1 0 386.446 3.289 50 0 GGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000095530015 222353354 /nfs/dbraw/zinc/35/33/54/222353354.db2.gz NRXCRZKMIAEOEQ-MEQKGCOVSA-N 1 0 380.492 3.342 50 0 GGAARO COCCCC[NH+]1CCN(C(=O)Nc2ccnn2[C@@H](C)c2ccccc2)CC1 ZINC000095529438 222353410 /nfs/dbraw/zinc/35/34/10/222353410.db2.gz AYZQCNOGBURQNW-SFHVURJKSA-N 1 0 385.512 3.069 50 0 GGAARO COc1ccc2c(c1)OC[C@H](CNC(=O)C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000095529305 222353428 /nfs/dbraw/zinc/35/34/28/222353428.db2.gz AHDSRYQQDDWUQB-KRWDZBQOSA-N 1 0 386.536 3.407 50 0 GGAARO O=C(NCCCCC[NH+]1CCOCC1)Nc1cccc(C(F)(F)F)c1F ZINC000095529151 222353465 /nfs/dbraw/zinc/35/34/65/222353465.db2.gz QDZFDLIJGGODHF-UHFFFAOYSA-N 1 0 377.382 3.469 50 0 GGAARO O=C(CC[C@H]1CCC[N@H+](CCn2cnnc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095531373 222354481 /nfs/dbraw/zinc/35/44/81/222354481.db2.gz APVURTKLZCBXJR-OAHLLOKOSA-N 1 0 395.429 3.428 50 0 GGAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)no1 ZINC000096139159 222385399 /nfs/dbraw/zinc/38/53/99/222385399.db2.gz LCHXCHJCSQRDGA-LJQANCHMSA-N 1 0 385.508 3.408 50 0 GGAARO CN(Cc1cnc(N)nc1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000096133413 222385740 /nfs/dbraw/zinc/38/57/40/222385740.db2.gz AYULDBLYKAZBCD-UHFFFAOYSA-N 1 0 382.512 3.487 50 0 GGAARO Cn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000096137255 222385901 /nfs/dbraw/zinc/38/59/01/222385901.db2.gz RLWZIBHAOJXIEX-UHFFFAOYSA-N 1 0 378.524 3.272 50 0 GGAARO C[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000096133060 222386018 /nfs/dbraw/zinc/38/60/18/222386018.db2.gz BJRAICLKMLLOKN-LJQANCHMSA-N 1 0 380.492 3.333 50 0 GGAARO CN1CC2(CC[NH+](Cc3cccc4nonc43)CC2)C[C@H](c2ccccc2)C1=O ZINC000096136336 222386590 /nfs/dbraw/zinc/38/65/90/222386590.db2.gz MUDINWFROGJQPA-LJQANCHMSA-N 1 0 390.487 3.451 50 0 GGAARO Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)c2cccnc12 ZINC000096137439 222386722 /nfs/dbraw/zinc/38/67/22/222386722.db2.gz SLDXNXJCAVVUSO-AUSIDOKSSA-N 1 0 379.504 3.162 50 0 GGAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000096139227 222387972 /nfs/dbraw/zinc/38/79/72/222387972.db2.gz BAFAMXSIVCMQMA-LBPRGKRZSA-N 1 0 377.382 3.324 50 0 GGAARO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)n(-c2cc(C)c3ccccc3n2)n1 ZINC000096148726 222389385 /nfs/dbraw/zinc/38/93/85/222389385.db2.gz NIQNFTGBNOLCPL-MRXNPFEDSA-N 1 0 378.480 3.205 50 0 GGAARO Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ccccc2OC2CC[NH+](C)CC2)n1 ZINC000096148030 222389554 /nfs/dbraw/zinc/38/95/54/222389554.db2.gz LFNFILHMSIDOBW-MRXNPFEDSA-N 1 0 385.512 3.183 50 0 GGAARO Cc1nccn1Cc1nnc(C2CC[NH+](C/C=C/c3ccccc3)CC2)n1C ZINC000096149237 222389564 /nfs/dbraw/zinc/38/95/64/222389564.db2.gz XOEOGTKGNIRBBL-RMKNXTFCSA-N 1 0 376.508 3.261 50 0 GGAARO COC(=O)c1ccc(NC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)c(C)c1 ZINC000096150686 222391010 /nfs/dbraw/zinc/39/10/10/222391010.db2.gz MHVRRPWCDSNEAF-UHFFFAOYSA-N 1 0 382.464 3.229 50 0 GGAARO C[N@@H+]1C[C@H]2C[NH+](Cc3ccc4ccn(Cc5ccccc5)c4c3)C[C@@]2(C(=O)[O-])C1 ZINC000096153191 222391105 /nfs/dbraw/zinc/39/11/05/222391105.db2.gz SXSKHTYVVKMSRL-URXFXBBRSA-N 1 0 389.499 3.138 50 0 GGAARO CCNc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)cn1 ZINC000096150798 222391487 /nfs/dbraw/zinc/39/14/87/222391487.db2.gz KZLFQUSAPBRSLB-HXUWFJFHSA-N 1 0 393.535 3.137 50 0 GGAARO Cc1cnn(CCC[NH2+]C2CCN(c3nnc(-c4ccccc4)s3)CC2)c1 ZINC000096151599 222391527 /nfs/dbraw/zinc/39/15/27/222391527.db2.gz CZCDDKGRIQQNSU-UHFFFAOYSA-N 1 0 382.537 3.359 50 0 GGAARO Cn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000096153354 222391536 /nfs/dbraw/zinc/39/15/36/222391536.db2.gz ZDHYOWYIVMHTDT-UHFFFAOYSA-N 1 0 390.535 3.339 50 0 GGAARO C[NH+](C)C[C@H]1COCCN(C(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000096162239 222392749 /nfs/dbraw/zinc/39/27/49/222392749.db2.gz CMPNFVJQSXBWEI-MBNRZODZSA-N 1 0 380.492 3.294 50 0 GGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cc(F)cc2c1NC(=O)CC2 ZINC000096162905 222393198 /nfs/dbraw/zinc/39/31/98/222393198.db2.gz UGWIZYHVBLJSOQ-INIZCTEOSA-N 1 0 386.427 3.262 50 0 GGAARO Cc1cccc(C[NH+]2CCC(c3nnc(CN4CCCCCC4)n3C)CC2)n1 ZINC000096165240 222395507 /nfs/dbraw/zinc/39/55/07/222395507.db2.gz COMUJWWSDHRZSZ-UHFFFAOYSA-N 1 0 382.556 3.274 50 0 GGAARO CCc1nc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)n(Cc2ccccc2)n1 ZINC000096163616 222395867 /nfs/dbraw/zinc/39/58/67/222395867.db2.gz WTZBFKLXDZVKBV-UHFFFAOYSA-N 1 0 375.520 3.303 50 0 GGAARO CCCOc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000095519910 222345691 /nfs/dbraw/zinc/34/56/91/222345691.db2.gz PONFSZCNZGEFNB-PZJWPPBQSA-N 1 0 379.504 3.493 50 0 GGAARO Cc1cc(NC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c(Cl)cc1F ZINC000095520978 222345926 /nfs/dbraw/zinc/34/59/26/222345926.db2.gz KUVCFSGFVOOESM-GOSISDBHSA-N 1 0 380.895 3.031 50 0 GGAARO Cc1cc(N2CCCN(C(=O)c3cccc(-c4nccn4C)c3)CC2)cc[nH+]1 ZINC000426425518 533892573 /nfs/dbraw/zinc/89/25/73/533892573.db2.gz WBKBGWXTBHJTLC-UHFFFAOYSA-N 1 0 375.476 3.143 50 0 GGAARO COc1ccccc1CNC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000426487763 534089009 /nfs/dbraw/zinc/08/90/09/534089009.db2.gz ZWXQVYVQWRURRO-UHFFFAOYSA-N 1 0 379.504 3.428 50 0 GGAARO COc1ccccc1OC1CN(C(=O)NCC[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000426478996 534191659 /nfs/dbraw/zinc/19/16/59/534191659.db2.gz QPOJSPVYHSOWRA-QGZVFWFLSA-N 1 0 375.513 3.121 50 0 GGAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)N[C@@H](CO)c1ccc(F)cc1 ZINC000426563136 534323468 /nfs/dbraw/zinc/32/34/68/534323468.db2.gz CTSGTTDNUVBNFI-NRFANRHFSA-N 1 0 385.483 3.038 50 0 GGAARO Cc1noc(CN(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000426472559 534406139 /nfs/dbraw/zinc/40/61/39/534406139.db2.gz AQAUWLCLIWLUFY-MRXNPFEDSA-N 1 0 377.876 3.010 50 0 GGAARO O=C(NCCc1ccc(Cl)cc1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000426376574 534447548 /nfs/dbraw/zinc/44/75/48/534447548.db2.gz UZUGAYSJOQKVRQ-LJQANCHMSA-N 1 0 379.932 3.169 50 0 GGAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)N(CCCO)Cc1cccs1 ZINC000426387259 534810837 /nfs/dbraw/zinc/81/08/37/534810837.db2.gz JXRZQINPBQTFLO-UHFFFAOYSA-N 1 0 379.570 3.441 50 0 GGAARO Nc1[nH]cc(-c2ccc(-c3cccc(C(=O)N[C@H]4CCCC[C@@H]4O)c3)cc2)[nH+]1 ZINC000426547502 534837628 /nfs/dbraw/zinc/83/76/28/534837628.db2.gz BCANDGLKCQVEDI-ICSRJNTNSA-N 1 0 376.460 3.190 50 0 GGAARO Nc1[nH]cc(-c2ccc(-c3ccc(C(=O)NCC4CCOCC4)cc3)cc2)[nH+]1 ZINC000426615056 534838022 /nfs/dbraw/zinc/83/80/22/534838022.db2.gz FCLOCADZKZQMQN-UHFFFAOYSA-N 1 0 376.460 3.313 50 0 GGAARO O=C1N(Cc2ccccc2F)CCC[C@]1(O)C[NH2+]Cc1cccc(Cl)c1 ZINC000012612840 527039340 /nfs/dbraw/zinc/03/93/40/527039340.db2.gz BFAAURURNDLRLC-FQEVSTJZSA-N 1 0 376.859 3.122 50 0 GGAARO CC(=O)c1c(C)nn([C@H](C)CC(=O)N(C)Cc2ccc3c(c2)C[N@@H+](C)C3)c1C ZINC000426574801 527173382 /nfs/dbraw/zinc/17/33/82/527173382.db2.gz FAYXXAWCSLBDHO-CQSZACIVSA-N 1 0 382.508 3.258 50 0 GGAARO CC1(C)C[C@H](C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)CCO1 ZINC000091350622 527726333 /nfs/dbraw/zinc/72/63/33/527726333.db2.gz MYAOIGVHOQXFRJ-LJQANCHMSA-N 1 0 385.552 3.491 50 0 GGAARO CC(C)C[NH+]1CCC(CNC(=O)N(C)Cc2cc(-c3cccnc3)no2)CC1 ZINC000426534991 527958805 /nfs/dbraw/zinc/95/88/05/527958805.db2.gz ABFMBMYCLQOIBR-UHFFFAOYSA-N 1 0 385.512 3.246 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3noc(COC)n3)CC2)C1 ZINC000096132374 527993320 /nfs/dbraw/zinc/99/33/20/527993320.db2.gz UEHATTVUEHKHCK-LJQANCHMSA-N 1 0 384.524 3.308 50 0 GGAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cc(=O)[nH]c(=O)[nH]4)C3)C2)cc1 ZINC000426529310 528093355 /nfs/dbraw/zinc/09/33/55/528093355.db2.gz NAEYQJBIZPXVOI-QHCPKHFHSA-N 1 0 396.535 3.499 50 0 GGAARO CCC[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000426471048 528228113 /nfs/dbraw/zinc/22/81/13/528228113.db2.gz STTWSPALPAESGN-CQSZACIVSA-N 1 0 377.920 3.480 50 0 GGAARO CCCNC(=O)c1ccc(-c2cccc(C(=O)NCC[C@H]3CCC[NH2+]3)c2)s1 ZINC000426395438 528444437 /nfs/dbraw/zinc/44/44/37/528444437.db2.gz UXMZCYPUEKRQJW-QGZVFWFLSA-N 1 0 385.533 3.427 50 0 GGAARO CCN(Cc1noc(C2CC2)n1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000426388363 528892357 /nfs/dbraw/zinc/89/23/57/528892357.db2.gz FFLHJQGMHXUGJT-UHFFFAOYSA-N 1 0 375.517 3.133 50 0 GGAARO CC(C)[NH+]1CCC(N2CCN(C/C=C/c3ccc(F)cc3)C[C@H]2CCO)CC1 ZINC000105266857 528992996 /nfs/dbraw/zinc/99/29/96/528992996.db2.gz SEUOSQLNDFAJHS-OSFWOZTASA-N 1 0 389.559 3.080 50 0 GGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000426606780 528999226 /nfs/dbraw/zinc/99/92/26/528999226.db2.gz RHOOIXXLKOIFAW-LJQANCHMSA-N 1 0 378.948 3.042 50 0 GGAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccc(OC)c(CO)c3)cc2)C1 ZINC000426701579 529048466 /nfs/dbraw/zinc/04/84/66/529048466.db2.gz ITDCHUJARWPFIY-KRWDZBQOSA-N 1 0 382.504 3.316 50 0 GGAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000426376351 529072814 /nfs/dbraw/zinc/07/28/14/529072814.db2.gz MOUVYDOLFWCOQW-CQSZACIVSA-N 1 0 377.920 3.131 50 0 GGAARO CCN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426395461 529121279 /nfs/dbraw/zinc/12/12/79/529121279.db2.gz XSFUZVDFEOGNJD-QHCPKHFHSA-N 1 0 385.552 3.103 50 0 GGAARO CCCc1cnc(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000095518169 535436508 /nfs/dbraw/zinc/43/65/08/535436508.db2.gz QFHGCZDMPOQGCR-UHFFFAOYSA-N 1 0 382.556 3.470 50 0 GGAARO CC[NH+]1CCC(CC(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)CC1 ZINC000082087683 535443279 /nfs/dbraw/zinc/44/32/79/535443279.db2.gz FUFHDJLZHKXGOK-HNNXBMFYSA-N 1 0 377.916 3.026 50 0 GGAARO CCCn1ncnc1[C@@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095389316 535651220 /nfs/dbraw/zinc/65/12/20/535651220.db2.gz BPFFJLTWCUUZNS-CYBMUJFWSA-N 1 0 382.434 3.422 50 0 GGAARO C[NH+](C)Cc1ccc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)nc1 ZINC000095500996 536011275 /nfs/dbraw/zinc/01/12/75/536011275.db2.gz LIKHLKYRJJFLOX-LJQANCHMSA-N 1 0 376.508 3.167 50 0 GGAARO CCn1cc(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)cn1 ZINC000072479511 536051992 /nfs/dbraw/zinc/05/19/92/536051992.db2.gz KHPFCOJWSMNFLI-UHFFFAOYSA-N 1 0 376.508 3.481 50 0 GGAARO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1(C)CC1(Br)Br ZINC000006849585 564229287 /nfs/dbraw/zinc/22/92/87/564229287.db2.gz LXDUPBWILSTEEG-AAEUAGOBSA-N 1 0 396.167 3.119 50 0 GGAARO O=C(CC[N@@H+](CCO)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000002266156 564186850 /nfs/dbraw/zinc/18/68/50/564186850.db2.gz JSOZTTOQNKCKCG-UHFFFAOYSA-N 1 0 377.282 3.272 50 0 GGAARO C[C@@H](CNC(=O)COc1ccc2ccccc2c1Br)C[NH+](C)C ZINC000002862559 564191553 /nfs/dbraw/zinc/19/15/53/564191553.db2.gz PUEINPOLZLXAKG-ZDUSSCGKSA-N 1 0 379.298 3.295 50 0 GGAARO COCCC[NH2+]CCOCCOc1c(Cl)cc(C)cc1Br ZINC000003001786 564192787 /nfs/dbraw/zinc/19/27/87/564192787.db2.gz STFFLNNJDPIXOO-UHFFFAOYSA-N 1 0 380.710 3.432 50 0 GGAARO C[NH+](C)CCC(=O)O[C@@H]1CCCC[C@@H]1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000004474710 564203051 /nfs/dbraw/zinc/20/30/51/564203051.db2.gz DEJVZAYUUCJCJY-SJORKVTESA-N 1 0 387.929 3.061 50 0 GGAARO O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000006432197 564224352 /nfs/dbraw/zinc/22/43/52/564224352.db2.gz HGEGUYDXDMRMCB-INIZCTEOSA-N 1 0 393.281 3.374 50 0 GGAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CC[NH2+]CC1 ZINC000019345970 564302864 /nfs/dbraw/zinc/30/28/64/564302864.db2.gz GYQMDAQDWPSPEP-OAHLLOKOSA-N 1 0 378.303 3.367 50 0 GGAARO COc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1cccnc1 ZINC000019872461 564304415 /nfs/dbraw/zinc/30/44/15/564304415.db2.gz GZCDBCAALOVSPQ-UHFFFAOYSA-N 1 0 394.313 3.083 50 0 GGAARO O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019789937 564304455 /nfs/dbraw/zinc/30/44/55/564304455.db2.gz SRUDKLSOVSAKHI-INIZCTEOSA-N 1 0 393.325 3.328 50 0 GGAARO O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019789938 564304463 /nfs/dbraw/zinc/30/44/63/564304463.db2.gz SRUDKLSOVSAKHI-MRXNPFEDSA-N 1 0 393.325 3.328 50 0 GGAARO C[NH+]1CCN(CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000020265965 564305159 /nfs/dbraw/zinc/30/51/59/564305159.db2.gz VMFPHXLJQMTQFN-RIYZIHGNSA-N 1 0 386.304 3.235 50 0 GGAARO CCOc1ccc(C(=O)N[C@@H](NCCC[NH+](C)C)C(Cl)(Cl)Cl)cc1 ZINC000020149979 564305361 /nfs/dbraw/zinc/30/53/61/564305361.db2.gz BRZXVVREFZWPHD-OAHLLOKOSA-N 1 0 396.746 3.053 50 0 GGAARO C[C@@H]1C[NH+](CCCOc2ccc(I)cc2)C[C@@H](C)O1 ZINC000020168176 564305419 /nfs/dbraw/zinc/30/54/19/564305419.db2.gz BCTLSFAOJRATAK-CHWSQXEVSA-N 1 0 375.250 3.169 50 0 GGAARO c1cc(-c2n[nH]c3c2C[N@@H+](C2CSCCSC2)CC3)cc2c1OCO2 ZINC000020543409 564306693 /nfs/dbraw/zinc/30/66/93/564306693.db2.gz XSVBRRQNELVPDK-UHFFFAOYSA-N 1 0 375.519 3.012 50 0 GGAARO O=S(=O)(CCc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127723 564322379 /nfs/dbraw/zinc/32/23/79/564322379.db2.gz PJCXWXDEDFFBKA-UHFFFAOYSA-N 1 0 378.563 3.122 50 0 GGAARO CN1CC[NH+](C2(CNC(=O)c3ccccc3Br)CCCCC2)CC1 ZINC000027741754 564355939 /nfs/dbraw/zinc/35/59/39/564355939.db2.gz ITDRVDNMJXFDLA-UHFFFAOYSA-N 1 0 394.357 3.129 50 0 GGAARO CCCSc1nn(CC[NH+](C)C)c2nc3sc(C)c(CC)c3c(=O)n12 ZINC000040287698 564427274 /nfs/dbraw/zinc/42/72/74/564427274.db2.gz AJGHNCFASYJYLP-UHFFFAOYSA-N 1 0 379.555 3.040 50 0 GGAARO OC[C@H]1CN(c2ncc(Cl)cc2C(F)(F)F)C[C@H]1C[NH+]1CCCCC1 ZINC000091626306 564871359 /nfs/dbraw/zinc/87/13/59/564871359.db2.gz WCUBDDQOOWWRIU-CHWSQXEVSA-N 1 0 377.838 3.284 50 0 GGAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]c1=O ZINC000091452391 564871525 /nfs/dbraw/zinc/87/15/25/564871525.db2.gz RUDKVQAYTMLOMQ-CYBMUJFWSA-N 1 0 381.263 3.109 50 0 GGAARO CCOC(=O)N(CC[NH+](C)C)c1ncc(C(F)(F)F)cc1Br ZINC000091695756 564871536 /nfs/dbraw/zinc/87/15/36/564871536.db2.gz GUMWLKYKGSEACP-UHFFFAOYSA-N 1 0 384.196 3.387 50 0 GGAARO CCc1nc(C)sc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000092001765 564874105 /nfs/dbraw/zinc/87/41/05/564874105.db2.gz DNDQJLRLZVYCKP-DZGCQCFKSA-N 1 0 376.551 3.093 50 0 GGAARO CS(=O)(=O)c1ccc(-c2cnc(Cl)cc2NCC2CC[NH2+]CC2)cc1 ZINC000575399445 566270537 /nfs/dbraw/zinc/27/05/37/566270537.db2.gz KMAOVRANQUUKIB-UHFFFAOYSA-N 1 0 379.913 3.217 50 0 GGAARO O=C(c1cccs1)N1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000670453423 566363385 /nfs/dbraw/zinc/36/33/85/566363385.db2.gz ZHPYEPFNVCTBCO-UHFFFAOYSA-N 1 0 375.563 3.363 50 0 GGAARO O=C(NCc1cc(Cl)ccc1Cl)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000534655079 567815762 /nfs/dbraw/zinc/81/57/62/567815762.db2.gz ALCNFZLABLDTRN-UHFFFAOYSA-N 1 0 386.323 3.126 50 0 GGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000096130327 570210294 /nfs/dbraw/zinc/21/02/94/570210294.db2.gz SOMUBQJXVXWYIR-UHFFFAOYSA-N 1 0 386.450 3.201 50 0 GGAARO Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000096130843 570210646 /nfs/dbraw/zinc/21/06/46/570210646.db2.gz PDZIYYYRQDKNHS-UHFFFAOYSA-N 1 0 385.512 3.254 50 0 GGAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000096131964 570211573 /nfs/dbraw/zinc/21/15/73/570211573.db2.gz PSBHUFOMNJFIGB-UHFFFAOYSA-N 1 0 382.487 3.370 50 0 GGAARO OCC[C@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CC[N@@H+]1C1CCCC1 ZINC000019732651 570211806 /nfs/dbraw/zinc/21/18/06/570211806.db2.gz DUDYKAJLAPNPQZ-FQEVSTJZSA-N 1 0 388.943 3.337 50 0 GGAARO CCOc1cc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000019758588 570216330 /nfs/dbraw/zinc/21/63/30/570216330.db2.gz XNNWOOLMOFRIHI-QFIPXVFZSA-N 1 0 398.547 3.205 50 0 GGAARO c1csc(-c2noc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000019771311 570218277 /nfs/dbraw/zinc/21/82/77/570218277.db2.gz UZUSLPQFKWPGMU-GOSISDBHSA-N 1 0 380.517 3.473 50 0 GGAARO CCOC(=O)c1c2c(sc1NC(=S)N1CCC[N@H+](C)CC1)C[C@@H](C)CC2 ZINC000019797091 570219985 /nfs/dbraw/zinc/21/99/85/570219985.db2.gz CBBQZNNNYLHVMW-ZDUSSCGKSA-N 1 0 395.594 3.384 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1Cc1cccs1 ZINC000019794550 570220010 /nfs/dbraw/zinc/22/00/10/570220010.db2.gz IAXLMQHSGGUOHK-GOSISDBHSA-N 1 0 382.533 3.003 50 0 GGAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000019798977 570220306 /nfs/dbraw/zinc/22/03/06/570220306.db2.gz JVAHVMOPFZEJFV-IBGZPJMESA-N 1 0 375.582 3.177 50 0 GGAARO c1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc5nonc5c4)C3)CC2)cc1 ZINC000019798629 570220333 /nfs/dbraw/zinc/22/03/33/570220333.db2.gz DRRUUJGUECSOQE-HXUWFJFHSA-N 1 0 377.492 3.009 50 0 GGAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3cc4c(cc3OC)OCO4)C2)c1 ZINC000019839890 570224184 /nfs/dbraw/zinc/22/41/84/570224184.db2.gz MMCWZPAHYBDYQO-SFHVURJKSA-N 1 0 384.476 3.187 50 0 GGAARO CCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC)cc3)C2=O)cc1 ZINC000019855175 570225811 /nfs/dbraw/zinc/22/58/11/570225811.db2.gz JOOCGJUUIRNBLQ-HXUWFJFHSA-N 1 0 382.460 3.296 50 0 GGAARO O=C(c1cccc(F)c1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019877260 570227079 /nfs/dbraw/zinc/22/70/79/570227079.db2.gz BEHNFMRJLZTPKB-UHFFFAOYSA-N 1 0 381.495 3.248 50 0 GGAARO COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCN(C)CC2)cc1 ZINC000019879858 570227088 /nfs/dbraw/zinc/22/70/88/570227088.db2.gz XSGNTNVJFZVUKV-UHFFFAOYSA-N 1 0 389.503 3.212 50 0 GGAARO CC[C@@H]1CN(C(=O)c2ccc(NCCc3cccc(C)n3)nc2)CC[N@@H+]1C(C)C ZINC000096836387 570232207 /nfs/dbraw/zinc/23/22/07/570232207.db2.gz BVJRFDKYCDMPMX-OAQYLSRUSA-N 1 0 395.551 3.384 50 0 GGAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCN(c3ccccc3)CC1)c(C)n2C ZINC000019939949 570232720 /nfs/dbraw/zinc/23/27/20/570232720.db2.gz UGGCMRAZWWDCOS-QFIPXVFZSA-N 1 0 379.504 3.351 50 0 GGAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)c1 ZINC000019939550 570232732 /nfs/dbraw/zinc/23/27/32/570232732.db2.gz FWANRMCHZIGYIW-HXUWFJFHSA-N 1 0 397.485 3.471 50 0 GGAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)c1 ZINC000019939552 570232951 /nfs/dbraw/zinc/23/29/51/570232951.db2.gz FWANRMCHZIGYIW-FQEVSTJZSA-N 1 0 397.485 3.471 50 0 GGAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccc(C)cc2)c1=N ZINC000020064471 570238428 /nfs/dbraw/zinc/23/84/28/570238428.db2.gz CHJWOVMZNMBIBB-LJQANCHMSA-N 1 0 396.535 3.012 50 0 GGAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000020100399 570239331 /nfs/dbraw/zinc/23/93/31/570239331.db2.gz ZKUZDGJIYNSZQH-UHFFFAOYSA-N 1 0 392.927 3.354 50 0 GGAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000020109524 570240142 /nfs/dbraw/zinc/24/01/42/570240142.db2.gz XTJWENQAHNVXAQ-QGZVFWFLSA-N 1 0 395.613 3.261 50 0 GGAARO Cc1cc(N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)nc(N(C)C)[nH+]1 ZINC000020136797 570241821 /nfs/dbraw/zinc/24/18/21/570241821.db2.gz HMAQTPLDQGGPOF-QGZVFWFLSA-N 1 0 399.514 3.303 50 0 GGAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1CCc1ccccc1 ZINC000020138288 570241902 /nfs/dbraw/zinc/24/19/02/570241902.db2.gz OOFBCAXWPYCHTR-QHCPKHFHSA-N 1 0 390.531 3.188 50 0 GGAARO Cc1cc(C)c(NC(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c(Cl)c1 ZINC000097394496 570242836 /nfs/dbraw/zinc/24/28/36/570242836.db2.gz PWYXAEYQDXJRFR-KRWDZBQOSA-N 1 0 378.948 3.448 50 0 GGAARO O=C(CCc1[nH]nc2c1CCCC2)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000097402588 570243422 /nfs/dbraw/zinc/24/34/22/570243422.db2.gz HIIDOJHTWJQKBE-NRFANRHFSA-N 1 0 384.499 3.314 50 0 GGAARO C[C@H](O)c1cn(C2CC[NH+](Cc3cccn3-c3ccc(Cl)cn3)CC2)nn1 ZINC000020149424 570244277 /nfs/dbraw/zinc/24/42/77/570244277.db2.gz MJDYVLJPRQRMCU-AWEZNQCLSA-N 1 0 386.887 3.008 50 0 GGAARO OCC[C@H]1CN(Cc2ccc3ncccc3c2)CC[N@@H+]1CCc1ccccc1 ZINC000020166350 570245515 /nfs/dbraw/zinc/24/55/15/570245515.db2.gz QUBSMJIQRVJNPZ-QHCPKHFHSA-N 1 0 375.516 3.346 50 0 GGAARO O=C(N1CCn2nc(Cc3ccccc3)cc2C1)C1([NH+]2CCCC2)CCCC1 ZINC000097529003 570245784 /nfs/dbraw/zinc/24/57/84/570245784.db2.gz NDGIYMUBZOUZOP-UHFFFAOYSA-N 1 0 378.520 3.225 50 0 GGAARO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)c1ccccc1-c1nc[nH]n1 ZINC000097568839 570246738 /nfs/dbraw/zinc/24/67/38/570246738.db2.gz QSIDBWWSGMIIMA-IBGZPJMESA-N 1 0 379.439 3.178 50 0 GGAARO C[C@H](c1ccc(-c2cncc(C(=O)N3CCOCC3)n2)cc1)[NH+]1CCCCC1 ZINC000097575142 570247081 /nfs/dbraw/zinc/24/70/81/570247081.db2.gz RTCYTPZKDZBZIC-QGZVFWFLSA-N 1 0 380.492 3.163 50 0 GGAARO CC(=O)Nc1cc(NC(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)ccc1F ZINC000097635087 570248097 /nfs/dbraw/zinc/24/80/97/570248097.db2.gz KUPDIHPJQCJUHZ-KRWDZBQOSA-N 1 0 384.455 3.395 50 0 GGAARO OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@@H+]1C1CCCCC1 ZINC000020236237 570249415 /nfs/dbraw/zinc/24/94/15/570249415.db2.gz VVXVXPPXCQDTJB-QGZVFWFLSA-N 1 0 380.916 3.270 50 0 GGAARO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020233080 570249451 /nfs/dbraw/zinc/24/94/51/570249451.db2.gz MIPDTBLYRUMMQK-OAQYLSRUSA-N 1 0 395.547 3.490 50 0 GGAARO CC(C)Cc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)[nH]n1 ZINC000020294700 570251747 /nfs/dbraw/zinc/25/17/47/570251747.db2.gz SEVAYINDHVRXBE-QHCPKHFHSA-N 1 0 384.568 3.110 50 0 GGAARO Cc1nc(-c2cccnc2)ncc1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000097730206 570252276 /nfs/dbraw/zinc/25/22/76/570252276.db2.gz YOXDTLMTZSQWMG-FQEVSTJZSA-N 1 0 387.487 3.066 50 0 GGAARO Cc1cccc(-n2nc(COc3ccccc3)nc2[C@H]2CC23CC[NH2+]CC3)n1 ZINC000097743514 570252619 /nfs/dbraw/zinc/25/26/19/570252619.db2.gz WJXKQOBXANWCIJ-GOSISDBHSA-N 1 0 375.476 3.407 50 0 GGAARO O=c1c2ccccc2[n-]c(=S)n1CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020154000 570254591 /nfs/dbraw/zinc/25/45/91/570254591.db2.gz FSJDBADOLCCYIX-UHFFFAOYSA-N 1 0 386.565 3.399 50 0 GGAARO COc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000001179459 570254797 /nfs/dbraw/zinc/25/47/97/570254797.db2.gz HLZGVCAWOJADBF-UHFFFAOYSA-N 1 0 393.531 3.256 50 0 GGAARO O=c1c2ccccc2[n-]c(=S)n1CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020153995 570254799 /nfs/dbraw/zinc/25/47/99/570254799.db2.gz FSDOALAIWUQISQ-UHFFFAOYSA-N 1 0 394.544 3.267 50 0 GGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000097772965 570254945 /nfs/dbraw/zinc/25/49/45/570254945.db2.gz AOOUDYSHKXFDKZ-QGZVFWFLSA-N 1 0 390.487 3.310 50 0 GGAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000020449762 570256278 /nfs/dbraw/zinc/25/62/78/570256278.db2.gz XRSBENWZTQCRQV-IBGZPJMESA-N 1 0 380.536 3.001 50 0 GGAARO OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CC[N@@H+]1CC1CCCCC1 ZINC000020449873 570256425 /nfs/dbraw/zinc/25/64/25/570256425.db2.gz ISZVBDCKFDBOKP-LJQANCHMSA-N 1 0 388.581 3.383 50 0 GGAARO COc1ccccc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000020451630 570257384 /nfs/dbraw/zinc/25/73/84/570257384.db2.gz KYXLEYHUGWTMRG-NRFANRHFSA-N 1 0 395.547 3.490 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)c(OC)c1 ZINC000020453317 570257604 /nfs/dbraw/zinc/25/76/04/570257604.db2.gz GPLXNYNGGAROEV-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](Cc2ccccc2C)[C@H](CCO)C1 ZINC000104392822 570257922 /nfs/dbraw/zinc/25/79/22/570257922.db2.gz ZRSDKKNFNDQHFM-JOCHJYFZSA-N 1 0 384.568 3.458 50 0 GGAARO CCOc1ccccc1CN1CCN(Cc2cccc(C(C)=O)c2)C[C@H]1CCO ZINC000104438867 570258760 /nfs/dbraw/zinc/25/87/60/570258760.db2.gz SIPZTGCMVYJFSR-HSZRJFAPSA-N 1 0 396.531 3.357 50 0 GGAARO OCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@@H+]1C1CCCCC1 ZINC000020455303 570258807 /nfs/dbraw/zinc/25/88/07/570258807.db2.gz SFQFEAOEZWLWDJ-JOCHJYFZSA-N 1 0 386.515 3.213 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO ZINC000104513530 570259877 /nfs/dbraw/zinc/25/98/77/570259877.db2.gz UUXHVCWRNRBPRJ-LJQANCHMSA-N 1 0 382.533 3.069 50 0 GGAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263937662 570261781 /nfs/dbraw/zinc/26/17/81/570261781.db2.gz FOKRPZGDGUPEMI-FQEVSTJZSA-N 1 0 381.524 3.211 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O ZINC000020533309 570265358 /nfs/dbraw/zinc/26/53/58/570265358.db2.gz JZAHLXOLUUBHNR-SAGAUJLNSA-N 1 0 375.472 3.288 50 0 GGAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1CCc1ccccc1 ZINC000020536007 570266114 /nfs/dbraw/zinc/26/61/14/570266114.db2.gz YIFFMFYODFRCCI-VWLOTQADSA-N 1 0 393.575 3.267 50 0 GGAARO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000020540247 570266642 /nfs/dbraw/zinc/26/66/42/570266642.db2.gz SIIQZFJLLXWCKO-FQEVSTJZSA-N 1 0 384.568 3.207 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000020540632 570266713 /nfs/dbraw/zinc/26/67/13/570266713.db2.gz ITIUJPSSMOQLQY-LJQANCHMSA-N 1 0 386.565 3.076 50 0 GGAARO CCc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccc(OC)cc23)C1=O ZINC000100129622 570266858 /nfs/dbraw/zinc/26/68/58/570266858.db2.gz CCUVUASJBSCGCY-HXUWFJFHSA-N 1 0 391.471 3.203 50 0 GGAARO CCn1cc(-c2cc(C(=O)N[C@H]3CCC[N@H+](C)C3)c3ccc(C)cc3n2)cn1 ZINC000020543350 570266999 /nfs/dbraw/zinc/26/69/99/570266999.db2.gz XPNMDLBJRLECRD-KRWDZBQOSA-N 1 0 377.492 3.251 50 0 GGAARO CC(C)(C[NH2+][C@H]1CCCN(c2nc3ccccc3s2)C1)CN1CCOCC1 ZINC000020542571 570267038 /nfs/dbraw/zinc/26/70/38/570267038.db2.gz SLOLBYUIQPSPHX-KRWDZBQOSA-N 1 0 388.581 3.213 50 0 GGAARO O=C(Nc1ccccc1)c1ccc(N2CC[C@@H]([NH2+]Cc3cccc(O)c3)C2)nc1 ZINC000049421018 570267197 /nfs/dbraw/zinc/26/71/97/570267197.db2.gz XNRSCRCGZLXASO-HXUWFJFHSA-N 1 0 388.471 3.408 50 0 GGAARO CN1CCN(C(=S)SCC(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC000043214992 570271355 /nfs/dbraw/zinc/27/13/55/570271355.db2.gz XVWHHHXMNWGJHX-UHFFFAOYSA-N 1 0 397.569 3.138 50 0 GGAARO CN(Cc1cc(-c2ccncc2)no1)C(=O)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000584901937 570271500 /nfs/dbraw/zinc/27/15/00/570271500.db2.gz CVAKOYZRNSEZJZ-QGZVFWFLSA-N 1 0 383.496 3.285 50 0 GGAARO Cn1ncc2c3nc([C@@H]4CCC[N@H+](Cc5cccc(Cl)c5)C4)nn3cnc21 ZINC000020608532 570271629 /nfs/dbraw/zinc/27/16/29/570271629.db2.gz KLRCABKSXIAVPR-CQSZACIVSA-N 1 0 381.871 3.044 50 0 GGAARO CC[NH+]1CCN(Cc2nn(-c3ccc(F)cc3)c(N)c2-c2ccccc2)CC1 ZINC000020638667 570273730 /nfs/dbraw/zinc/27/37/30/570273730.db2.gz HVJJHIPMTXASCC-UHFFFAOYSA-N 1 0 379.483 3.398 50 0 GGAARO C[N@@H+]1CC[C@H](NC(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)C1 ZINC000584903674 570274534 /nfs/dbraw/zinc/27/45/34/570274534.db2.gz ZOCVQUXBLJYKTN-IBGZPJMESA-N 1 0 377.492 3.021 50 0 GGAARO CCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000020707291 570275606 /nfs/dbraw/zinc/27/56/06/570275606.db2.gz WFDPDPNGERXGPN-UHFFFAOYSA-N 1 0 391.519 3.240 50 0 GGAARO COc1cc(/C=C/CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)ccc1O ZINC000020779673 570280088 /nfs/dbraw/zinc/28/00/88/570280088.db2.gz JTDKMMPDKUDJDG-BWDYHRDRSA-N 1 0 388.533 3.044 50 0 GGAARO O=C(CCc1nc(-c2ccccc2)no1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020903618 570283770 /nfs/dbraw/zinc/28/37/70/570283770.db2.gz YPLNDIXOZMBDCA-UHFFFAOYSA-N 1 0 390.487 3.450 50 0 GGAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020910181 570284193 /nfs/dbraw/zinc/28/41/93/570284193.db2.gz TYVPJOSFWBKBBE-DEOSSOPVSA-N 1 0 392.547 3.432 50 0 GGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CCN(CC)CC)C3 ZINC000020911144 570284563 /nfs/dbraw/zinc/28/45/63/570284563.db2.gz SNUVCRFRJLONES-OAHLLOKOSA-N 1 0 376.570 3.047 50 0 GGAARO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)[nH]n1 ZINC000020914988 570284607 /nfs/dbraw/zinc/28/46/07/570284607.db2.gz VBWURORYIZUEGK-UHFFFAOYSA-N 1 0 392.507 3.371 50 0 GGAARO Cc1cccc(-n2cc(CN3CC[NH+](CCO)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000020916726 570284635 /nfs/dbraw/zinc/28/46/35/570284635.db2.gz GEVJCAPGIMVQHB-UHFFFAOYSA-N 1 0 394.494 3.097 50 0 GGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020992911 570286274 /nfs/dbraw/zinc/28/62/74/570286274.db2.gz CIROZQBCSQEPNE-INIZCTEOSA-N 1 0 380.448 3.016 50 0 GGAARO O=C(NCc1ccco1)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000020993429 570286377 /nfs/dbraw/zinc/28/63/77/570286377.db2.gz JJFWKVSRECQXSM-RTWAWAEBSA-N 1 0 395.503 3.034 50 0 GGAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCCCCC4)CC3)CC2)n1 ZINC000020992492 570286412 /nfs/dbraw/zinc/28/64/12/570286412.db2.gz UTYXPXGGDIPVMD-UHFFFAOYSA-N 1 0 398.595 3.469 50 0 GGAARO CN1CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 ZINC000020999042 570286614 /nfs/dbraw/zinc/28/66/14/570286614.db2.gz IGVBLHMELZSXOZ-LJQANCHMSA-N 1 0 376.460 3.294 50 0 GGAARO COc1cc(Cl)c(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1OC ZINC000020996610 570286658 /nfs/dbraw/zinc/28/66/58/570286658.db2.gz NYQLPCMOYKCYHJ-KRWDZBQOSA-N 1 0 382.932 3.168 50 0 GGAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000020997403 570286715 /nfs/dbraw/zinc/28/67/15/570286715.db2.gz QGSRJMHPCJCUMT-KRWDZBQOSA-N 1 0 397.466 3.027 50 0 GGAARO COc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c(OC)c1 ZINC000020999079 570286727 /nfs/dbraw/zinc/28/67/27/570286727.db2.gz CLIJTXHZFVXHDS-FQEVSTJZSA-N 1 0 376.541 3.153 50 0 GGAARO O=C(c1nc2ccccn2c1C[N@@H+]1CC[C@H](C2CCCCC2)C1)N1CCOCC1 ZINC000020996680 570286871 /nfs/dbraw/zinc/28/68/71/570286871.db2.gz ZBHWJKNLZRAJHZ-IBGZPJMESA-N 1 0 396.535 3.209 50 0 GGAARO O=C(NC[C@H]1CCC[N@@H+](C2CSCCSC2)C1)c1cc2ccccc2[nH]1 ZINC000020999562 570287311 /nfs/dbraw/zinc/28/73/11/570287311.db2.gz RSAXLXPHFYLKMA-OAHLLOKOSA-N 1 0 389.590 3.458 50 0 GGAARO COc1ccc([C@@H](CNC(=O)[C@H]2COc3ccccc3O2)[NH+]2CCCCC2)cc1 ZINC000021170303 570288500 /nfs/dbraw/zinc/28/85/00/570288500.db2.gz PIKCSHWKYXCKAA-DENIHFKCSA-N 1 0 396.487 3.178 50 0 GGAARO COc1ccc([C@@H](CNC(=O)[C@@H]2COc3ccccc3O2)[NH+]2CCCCC2)cc1 ZINC000021170288 570288700 /nfs/dbraw/zinc/28/87/00/570288700.db2.gz PIKCSHWKYXCKAA-KNQAVFIVSA-N 1 0 396.487 3.178 50 0 GGAARO CCC1C(C)=NN(c2cccc(C(=O)N3C[C@@H](C(C)C)[C@H]([NH+](C)C)C3)c2)C1=O ZINC000102578291 570290213 /nfs/dbraw/zinc/29/02/13/570290213.db2.gz MCTMSUGZWLIHHM-VQTJNVASSA-N 1 0 384.524 3.107 50 0 GGAARO COCCCC[NH+]1CCN(C(=O)c2cc(C)nc3c(Cl)cccc23)CC1 ZINC000215754471 570291445 /nfs/dbraw/zinc/29/14/45/570291445.db2.gz RCQFAKFYQOZEPG-UHFFFAOYSA-N 1 0 375.900 3.381 50 0 GGAARO CC(C)Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)nc(N)n1 ZINC000215857348 570292942 /nfs/dbraw/zinc/29/29/42/570292942.db2.gz ATKVCDVTSYBFKS-HXUWFJFHSA-N 1 0 381.524 3.214 50 0 GGAARO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cn1 ZINC000216113995 570295827 /nfs/dbraw/zinc/29/58/27/570295827.db2.gz ZIINEGZTEPOCGD-GOSISDBHSA-N 1 0 375.476 3.223 50 0 GGAARO Fc1ccc(NC(=S)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000002727577 570295908 /nfs/dbraw/zinc/29/59/08/570295908.db2.gz AWWKCJORGXNYRS-UHFFFAOYSA-N 1 0 390.503 3.464 50 0 GGAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795084 570296192 /nfs/dbraw/zinc/29/61/92/570296192.db2.gz RFNMCCJWFWYRGH-UHFFFAOYSA-N 1 0 380.496 3.048 50 0 GGAARO C[NH+]1CCN(CCCNC(=O)C[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000216137280 570296300 /nfs/dbraw/zinc/29/63/00/570296300.db2.gz MAGKEMUJUZTEFP-QFIPXVFZSA-N 1 0 383.511 3.101 50 0 GGAARO Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021795173 570296417 /nfs/dbraw/zinc/29/64/17/570296417.db2.gz WQFBNHKYHKQMPZ-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1cccs1 ZINC000021805465 570296792 /nfs/dbraw/zinc/29/67/92/570296792.db2.gz OKKROOUOSHEGEJ-HNNXBMFYSA-N 1 0 399.472 3.207 50 0 GGAARO CC[N@@H+]1CCCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 ZINC000216564772 570302929 /nfs/dbraw/zinc/30/29/29/570302929.db2.gz ZKDRXIRRXBNOBY-OAQYLSRUSA-N 1 0 382.552 3.032 50 0 GGAARO CN1c2ccccc2N(C2CCN(Cc3ccc(F)c(F)c3)CC2)S1(=O)=O ZINC000575414196 570303708 /nfs/dbraw/zinc/30/37/08/570303708.db2.gz NMPNMVSILGBJGR-UHFFFAOYSA-N 1 0 393.459 3.130 50 0 GGAARO Cn1cc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000021698258 570306008 /nfs/dbraw/zinc/30/60/08/570306008.db2.gz MZUNWOUMMVIIEP-IBGZPJMESA-N 1 0 398.894 3.189 50 0 GGAARO COc1cccc2ccc(CN3CC[N@@H+](C4CCCCC4)[C@@H](CCO)C3)nc21 ZINC000107100523 570308478 /nfs/dbraw/zinc/30/84/78/570308478.db2.gz SUOLQVDVRQVORO-NRFANRHFSA-N 1 0 383.536 3.445 50 0 GGAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)C[C@@H]2CCO)c(C)c1C ZINC000107100599 570308725 /nfs/dbraw/zinc/30/87/25/570308725.db2.gz NJZABGNKNMIMQF-QFIPXVFZSA-N 1 0 383.536 3.084 50 0 GGAARO OCC[C@H]1C[N@H+](Cc2cccc3cnccc32)CCN1Cc1ccccc1F ZINC000022851260 570330942 /nfs/dbraw/zinc/33/09/42/570330942.db2.gz DDBWWHGSQPRSAI-NRFANRHFSA-N 1 0 379.479 3.443 50 0 GGAARO CC(C)CC[N@@H+]1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@@H]1CCO ZINC000022913632 570334053 /nfs/dbraw/zinc/33/40/53/570334053.db2.gz AIHWBIUCQSYWNC-IBGZPJMESA-N 1 0 390.959 3.440 50 0 GGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914473 570334776 /nfs/dbraw/zinc/33/47/76/570334776.db2.gz QPXLVBXDQLNQKL-HSZRJFAPSA-N 1 0 393.531 3.260 50 0 GGAARO COc1cccc2c1OCC(CN1CC[N@@H+](C3CCCCC3)[C@@H](CCO)C1)=C2 ZINC000022932535 570337053 /nfs/dbraw/zinc/33/70/53/570337053.db2.gz FYWODYZHEGZQKW-NRFANRHFSA-N 1 0 386.536 3.172 50 0 GGAARO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1C1CCCC1 ZINC000022932792 570337728 /nfs/dbraw/zinc/33/77/28/570337728.db2.gz ZWOWGDHQOBVHRU-FQEVSTJZSA-N 1 0 382.508 3.080 50 0 GGAARO C[NH+](C)CCN1COc2ccc3cc(-c4cc(F)cc(F)c4)c(=O)oc3c2C1 ZINC000022935570 570338205 /nfs/dbraw/zinc/33/82/05/570338205.db2.gz VFBLAVMAXQRDDV-UHFFFAOYSA-N 1 0 386.398 3.452 50 0 GGAARO O=c1cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)nc2sccn21 ZINC000023095803 570343718 /nfs/dbraw/zinc/34/37/18/570343718.db2.gz VAVUTNSVHHJLMS-UHFFFAOYSA-N 1 0 390.512 3.227 50 0 GGAARO CCc1nnc(NC(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000023095792 570343810 /nfs/dbraw/zinc/34/38/10/570343810.db2.gz GLMFAXYEIQKVCR-UHFFFAOYSA-N 1 0 395.532 3.010 50 0 GGAARO COc1ccc(-c2nn3c(nc(C)cc3NCCC[NH+](C)C)c2C)cc1OC ZINC000023118872 570345033 /nfs/dbraw/zinc/34/50/33/570345033.db2.gz GQLHJIMFPCCXIE-UHFFFAOYSA-N 1 0 383.496 3.394 50 0 GGAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023211760 570349866 /nfs/dbraw/zinc/34/98/66/570349866.db2.gz XIYHBMHOAFOIMA-IBGZPJMESA-N 1 0 378.875 3.349 50 0 GGAARO C[NH+]1CCC(OCCCNC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000584903920 570350337 /nfs/dbraw/zinc/35/03/37/570350337.db2.gz PGKLKZMCZAMJAE-KRWDZBQOSA-N 1 0 379.932 3.340 50 0 GGAARO COc1cc2c(cc1OC)[C@H](COc1ccc3c(C)cc(=O)oc3c1)[NH2+]CC2 ZINC000023230364 570351215 /nfs/dbraw/zinc/35/12/15/570351215.db2.gz QIYSCXNZGINAAJ-SFHVURJKSA-N 1 0 381.428 3.384 50 0 biogenic GGAARO c1cnn(-c2ccc(N3CCC([NH2+]Cc4cn5ccsc5n4)CC3)cc2)c1 ZINC000023311698 570354469 /nfs/dbraw/zinc/35/44/69/570354469.db2.gz BYJUTMDKMMXBRM-UHFFFAOYSA-N 1 0 378.505 3.340 50 0 GGAARO C[N@H+](Cc1ccco1)Cc1cccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)c1 ZINC000023312267 570354569 /nfs/dbraw/zinc/35/45/69/570354569.db2.gz IFAPILZFEBEPOI-UHFFFAOYSA-N 1 0 389.459 3.101 50 0 GGAARO COc1cccc(-c2cccc(N3CCC([NH2+]CCc4nncn4C)CC3)c2)c1 ZINC000023368261 570357441 /nfs/dbraw/zinc/35/74/41/570357441.db2.gz MRHCIEKUBDKCKT-UHFFFAOYSA-N 1 0 391.519 3.292 50 0 GGAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1OC ZINC000023373587 570357614 /nfs/dbraw/zinc/35/76/14/570357614.db2.gz VHCXWULZPZTRCO-NRFANRHFSA-N 1 0 384.520 3.081 50 0 GGAARO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2ccnc2)cc1 ZINC000004892269 570357928 /nfs/dbraw/zinc/35/79/28/570357928.db2.gz ONNGMJFWRKIKGK-RGEXLXHISA-N 1 0 394.500 3.230 50 0 GGAARO OCCOc1ccc(C[NH2+]CC2(N3CCCCC3)Cc3ccccc3C2)cc1 ZINC000023375134 570358206 /nfs/dbraw/zinc/35/82/06/570358206.db2.gz XTVWPBCIJCSFRU-UHFFFAOYSA-N 1 0 380.532 3.171 50 0 GGAARO COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CC[NH+](C)CC2)cc1 ZINC000023374406 570358334 /nfs/dbraw/zinc/35/83/34/570358334.db2.gz NPYSWGHMDJBKSL-UHFFFAOYSA-N 1 0 380.467 3.434 50 0 GGAARO CC(=O)c1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)cs1 ZINC000023374178 570358540 /nfs/dbraw/zinc/35/85/40/570358540.db2.gz MZSMYRRXQWNXRF-NRFANRHFSA-N 1 0 386.561 3.452 50 0 GGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000023375532 570358960 /nfs/dbraw/zinc/35/89/60/570358960.db2.gz ASOIDWPEIWRAAU-QHCPKHFHSA-N 1 0 390.531 3.454 50 0 GGAARO Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)C1 ZINC000575616964 570359604 /nfs/dbraw/zinc/35/96/04/570359604.db2.gz LPTJIMUUSFKERF-GOEBONIOSA-N 1 0 393.443 3.314 50 0 GGAARO Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)C1 ZINC000575616961 570359676 /nfs/dbraw/zinc/35/96/76/570359676.db2.gz LPTJIMUUSFKERF-GDBMZVCRSA-N 1 0 393.443 3.314 50 0 GGAARO c1cnn(-c2ccc(N3CCC([NH2+]CCc4[nH]nc5c4CCCC5)CC3)cc2)c1 ZINC000023429939 570362584 /nfs/dbraw/zinc/36/25/84/570362584.db2.gz KEUBJKLXTVTSBN-UHFFFAOYSA-N 1 0 390.535 3.275 50 0 GGAARO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000004336200 570369067 /nfs/dbraw/zinc/36/90/67/570369067.db2.gz FMKZPYAVQWBLSF-NRFANRHFSA-N 1 0 389.499 3.347 50 0 GGAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000004337837 570369270 /nfs/dbraw/zinc/36/92/70/570369270.db2.gz UNOFGZHORLATQC-IBGZPJMESA-N 1 0 380.419 3.429 50 0 GGAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000004412473 570374010 /nfs/dbraw/zinc/37/40/10/570374010.db2.gz ZWRKGBYBETUEKJ-UHFFFAOYSA-N 1 0 387.867 3.131 50 0 GGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000004940385 570376490 /nfs/dbraw/zinc/37/64/90/570376490.db2.gz JAVSMYKUOWDAHD-SFHVURJKSA-N 1 0 377.444 3.381 50 0 GGAARO C[NH+](C)Cc1csc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)c1 ZINC000221264558 570392409 /nfs/dbraw/zinc/39/24/09/570392409.db2.gz AUEZETGUBWLEBH-OAQYLSRUSA-N 1 0 382.533 3.104 50 0 GGAARO COc1ccc(C(=O)N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703480 570395213 /nfs/dbraw/zinc/39/52/13/570395213.db2.gz SBOSQEBRKSWBQS-UHFFFAOYSA-N 1 0 379.504 3.122 50 0 GGAARO COc1ccccc1CN1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000004703448 570395306 /nfs/dbraw/zinc/39/53/06/570395306.db2.gz JCGOGTNWZOGNLW-UHFFFAOYSA-N 1 0 395.547 3.490 50 0 GGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000004711697 570396732 /nfs/dbraw/zinc/39/67/32/570396732.db2.gz MTCKRUZMGHBQKM-UHFFFAOYSA-N 1 0 385.439 3.007 50 0 GGAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)cc2)CC1 ZINC000004711674 570396807 /nfs/dbraw/zinc/39/68/07/570396807.db2.gz XKVMEUJFQYLNJH-UHFFFAOYSA-N 1 0 381.476 3.176 50 0 GGAARO COc1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000005045788 570405515 /nfs/dbraw/zinc/40/55/15/570405515.db2.gz QUVCKWIMIVCANP-UHFFFAOYSA-N 1 0 390.524 3.183 50 0 GGAARO COc1ccc([C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000004793844 570405944 /nfs/dbraw/zinc/40/59/44/570405944.db2.gz REWRNKZOHJNJGC-QFIPXVFZSA-N 1 0 394.519 3.150 50 0 GGAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000004952000 570419575 /nfs/dbraw/zinc/41/95/75/570419575.db2.gz AAKOECZCPNIPMP-NRFANRHFSA-N 1 0 383.488 3.368 50 0 GGAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000004952005 570419582 /nfs/dbraw/zinc/41/95/82/570419582.db2.gz AAKOECZCPNIPMP-OAQYLSRUSA-N 1 0 383.488 3.368 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2ccccc21 ZINC000524729167 570420356 /nfs/dbraw/zinc/42/03/56/570420356.db2.gz GUYLXCWVQZMZEJ-RBBKRZOGSA-N 1 0 383.536 3.381 50 0 biogenic GGAARO O=C(CCSCc1ccccc1)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000222708107 570421495 /nfs/dbraw/zinc/42/14/95/570421495.db2.gz FMJHCDLIPYDPPV-UHFFFAOYSA-N 1 0 376.566 3.007 50 0 GGAARO Cn1nnnc1SCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000004993864 570422299 /nfs/dbraw/zinc/42/22/99/570422299.db2.gz WZNIAVXJRSHVOD-UHFFFAOYSA-N 1 0 387.484 3.200 50 0 GGAARO O=C1c2ccccc2C(=O)N1C/C=C\COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000026892340 570429683 /nfs/dbraw/zinc/42/96/83/570429683.db2.gz XFHKPHXNYPOQDJ-SREVYHEPSA-N 1 0 391.471 3.299 50 0 in-vitro GGAARO COc1ccc(N2C(=O)c3cccc4c(N5CC[NH2+]CC5)ccc(c43)C2=O)cc1 ZINC000005249231 570432303 /nfs/dbraw/zinc/43/23/03/570432303.db2.gz YQTHKVJWZHZIFH-UHFFFAOYSA-N 1 0 387.439 3.059 50 0 GGAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[N@@H+]3CCCC[C@H]3C)cc21 ZINC000245238022 570434532 /nfs/dbraw/zinc/43/45/32/570434532.db2.gz CWLFZNJWZKXXNH-NVXWUHKLSA-N 1 0 388.508 3.278 50 0 GGAARO CCc1ccc(O[C@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000027741702 570441086 /nfs/dbraw/zinc/44/10/86/570441086.db2.gz NQRNGJZGJODUMA-LJQANCHMSA-N 1 0 387.568 3.083 50 0 GGAARO Cc1cc(C)cc(O[C@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)c1 ZINC000027741603 570441315 /nfs/dbraw/zinc/44/13/15/570441315.db2.gz RHKHXJZPZOHDMB-HXUWFJFHSA-N 1 0 387.568 3.137 50 0 GGAARO O=C(Cc1ccccc1C(F)(F)F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1 ZINC000223241252 570452294 /nfs/dbraw/zinc/45/22/94/570452294.db2.gz PYHIZWVJXRKBOD-ZWQIFLOQSA-N 1 0 382.426 3.006 50 0 GGAARO COc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287454 570454539 /nfs/dbraw/zinc/45/45/39/570454539.db2.gz AWSDNBAXCIHVEO-HXUWFJFHSA-N 1 0 387.911 3.067 50 0 biogenic GGAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035828110 570458950 /nfs/dbraw/zinc/45/89/50/570458950.db2.gz IDUXNWJPOZVGBU-SZELWCTASA-N 1 0 385.851 3.133 50 0 GGAARO CCN1CC[NH+](C2(CNC(=O)[C@H](C)Oc3ccccc3F)CCCCC2)CC1 ZINC000028403408 570459121 /nfs/dbraw/zinc/45/91/21/570459121.db2.gz HDQZZVMAPHRNII-SFHVURJKSA-N 1 0 391.531 3.050 50 0 GGAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000028693836 570463073 /nfs/dbraw/zinc/46/30/73/570463073.db2.gz IYFGAWCSFIXRPI-UHFFFAOYSA-N 1 0 378.520 3.026 50 0 GGAARO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cc(=O)n5ccsc5n4)C3)nc2c1 ZINC000130795213 570464551 /nfs/dbraw/zinc/46/45/51/570464551.db2.gz KHQITEPSOGELDR-CQSZACIVSA-N 1 0 379.489 3.320 50 0 GGAARO CC(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3CN2)cc1 ZINC000035855947 570465293 /nfs/dbraw/zinc/46/52/93/570465293.db2.gz NCESDYLKAONMPK-YADHBBJMSA-N 1 0 391.515 3.454 50 0 GGAARO COC(=O)c1c(NC(=O)CN2CCc3ccccc3C2)c2cc(C)ccc2n1C ZINC000035851878 570465389 /nfs/dbraw/zinc/46/53/89/570465389.db2.gz HALLZDLEDMSEHS-UHFFFAOYSA-N 1 0 391.471 3.270 50 0 GGAARO CCOC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000380913465 570491291 /nfs/dbraw/zinc/49/12/91/570491291.db2.gz ORNJAGQPVINUCJ-XMSQKQJNSA-N 1 0 388.508 3.451 50 0 GGAARO O=C(Cc1csc(-n2cccc2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032089596 570508070 /nfs/dbraw/zinc/50/80/70/570508070.db2.gz FSXOEJHMWYEZNP-UHFFFAOYSA-N 1 0 380.517 3.257 50 0 GGAARO C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000079169387 570510628 /nfs/dbraw/zinc/51/06/28/570510628.db2.gz OGBBTISOBNPJSF-GOSISDBHSA-N 1 0 378.520 3.095 50 0 GGAARO Cc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006658621 570522575 /nfs/dbraw/zinc/52/25/75/570522575.db2.gz GWZXWMVTVHZUSE-UHFFFAOYSA-N 1 0 386.492 3.214 50 0 GGAARO CCc1cc(=O)oc2cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006660012 570523726 /nfs/dbraw/zinc/52/37/26/570523726.db2.gz XJATZWXGLODJAZ-UHFFFAOYSA-N 1 0 386.492 3.160 50 0 GGAARO Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006660148 570523768 /nfs/dbraw/zinc/52/37/68/570523768.db2.gz UFFNQIUMTFKHKW-CQSZACIVSA-N 1 0 386.492 3.294 50 0 biogenic GGAARO Cc1cccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)c1 ZINC000002974656 570524380 /nfs/dbraw/zinc/52/43/80/570524380.db2.gz MKKKACARUCANKT-QHCPKHFHSA-N 1 0 379.480 3.417 50 0 GGAARO Cc1ccccc1C(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000033318273 570524640 /nfs/dbraw/zinc/52/46/40/570524640.db2.gz TYIGTMDIEBFQCT-UHFFFAOYSA-N 1 0 379.508 3.046 50 0 GGAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000033318540 570524965 /nfs/dbraw/zinc/52/49/65/570524965.db2.gz YSYPVMYAKHLVGL-UHFFFAOYSA-N 1 0 398.486 3.269 50 0 GGAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@](O)(c3ccc4c(c3)OCCO4)C2)c1 ZINC000002966293 570525172 /nfs/dbraw/zinc/52/51/72/570525172.db2.gz SDPARQPRPPKYTD-HSZRJFAPSA-N 1 0 379.480 3.335 50 0 GGAARO COc1cccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000022135412 570538323 /nfs/dbraw/zinc/53/83/23/570538323.db2.gz SMTVXAWCXUWOBE-UHFFFAOYSA-N 1 0 379.548 3.477 50 0 GGAARO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000263972782 570545413 /nfs/dbraw/zinc/54/54/13/570545413.db2.gz XNRUDWSFTQMMMK-IBGZPJMESA-N 1 0 381.524 3.006 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccc(F)cc2)CC1 ZINC000022794576 570548057 /nfs/dbraw/zinc/54/80/57/570548057.db2.gz WIPYRPIPLVPFFX-HXUWFJFHSA-N 1 0 389.902 3.127 50 0 GGAARO COc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022794130 570548129 /nfs/dbraw/zinc/54/81/29/570548129.db2.gz PJJBGGDJPBNIFM-FQEVSTJZSA-N 1 0 387.911 3.067 50 0 GGAARO C[NH+]1CCN([C@H](CNC(=O)c2c(F)cccc2Cl)c2ccc(F)cc2)CC1 ZINC000022794782 570548334 /nfs/dbraw/zinc/54/83/34/570548334.db2.gz WSFZBWQYBKCZKG-GOSISDBHSA-N 1 0 393.865 3.337 50 0 GGAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(COc4ccc(Cl)cc4)nc3c12 ZINC000009184160 570550874 /nfs/dbraw/zinc/55/08/74/570550874.db2.gz KDFDXLWIHCFECS-UHFFFAOYSA-N 1 0 398.898 3.490 50 0 GGAARO C[NH+](C)CCCn1cnc2c(c1=N)[C@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000005352206 570559479 /nfs/dbraw/zinc/55/94/79/570559479.db2.gz FHIFNRCJPFVSFF-LJQANCHMSA-N 1 0 376.460 3.306 50 0 GGAARO C[NH+](C)CCCn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000005352210 570559501 /nfs/dbraw/zinc/55/95/01/570559501.db2.gz FHIFNRCJPFVSFF-IBGZPJMESA-N 1 0 376.460 3.306 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccs2)N(CCC[NH+](C)C)C1=O ZINC000005345994 570561094 /nfs/dbraw/zinc/56/10/94/570561094.db2.gz ZTFZSMMTFVSTRE-GOSISDBHSA-N 1 0 398.484 3.360 50 0 GGAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccc2F)N(CC[NH+](C)C)C1=O ZINC000005349100 570562813 /nfs/dbraw/zinc/56/28/13/570562813.db2.gz UPMLPUSYWOKUDQ-LJQANCHMSA-N 1 0 396.418 3.048 50 0 GGAARO O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000022907462 570564007 /nfs/dbraw/zinc/56/40/07/570564007.db2.gz VJXPMFNFGPKCAO-HXUWFJFHSA-N 1 0 389.455 3.134 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c(OC)c1 ZINC000036384464 570564635 /nfs/dbraw/zinc/56/46/35/570564635.db2.gz DFUKNEPNGFVJDY-JOCHJYFZSA-N 1 0 398.547 3.205 50 0 GGAARO COc1ccc(/C=C/CN2CC[N@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)cc1 ZINC000036385593 570564750 /nfs/dbraw/zinc/56/47/50/570564750.db2.gz OQELFHNJNSQVFS-UKKYDJSUSA-N 1 0 396.531 3.286 50 0 GGAARO Cc1ccc(-c2csc3nc(SCC[NH+]4CCCC4)n(N)c(=O)c23)cc1 ZINC000036646117 570567526 /nfs/dbraw/zinc/56/75/26/570567526.db2.gz JMTQEEHIRHGTQY-UHFFFAOYSA-N 1 0 386.546 3.335 50 0 GGAARO COc1ccccc1[C@]1(CC[NH2+]CCCN2CCOCC2)CCOC(C)(C)C1 ZINC000006759943 570574827 /nfs/dbraw/zinc/57/48/27/570574827.db2.gz TZDRHJALEZOIMF-HSZRJFAPSA-N 1 0 390.568 3.224 50 0 GGAARO C[N@H+](Cc1ccccc1)C1(C(=O)NCCc2cccnc2)Cc2ccccc2C1 ZINC000039359914 570590098 /nfs/dbraw/zinc/59/00/98/570590098.db2.gz DHSLYXZRLUELTN-UHFFFAOYSA-N 1 0 385.511 3.410 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c(Cl)cc1O ZINC000039363266 570590168 /nfs/dbraw/zinc/59/01/68/570590168.db2.gz BXZUPKGOFRCREO-GOSISDBHSA-N 1 0 390.911 3.123 50 0 GGAARO CCOc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)ccc1O ZINC000039388192 570590584 /nfs/dbraw/zinc/59/05/84/570590584.db2.gz DATHGOZEUOUFEF-JOCHJYFZSA-N 1 0 398.547 3.292 50 0 GGAARO Cc1c(CNC(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)cnn1C ZINC000039395005 570590786 /nfs/dbraw/zinc/59/07/86/570590786.db2.gz KIAYJUWVYNMGCH-UHFFFAOYSA-N 1 0 388.515 3.014 50 0 GGAARO COc1cccc(CN2CC[N@H+](Cc3cccc4ncccc34)C[C@@H]2CCO)c1 ZINC000039437448 570591338 /nfs/dbraw/zinc/59/13/38/570591338.db2.gz IJOIIDVGCWBTMP-NRFANRHFSA-N 1 0 391.515 3.312 50 0 GGAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccc(C)cc3)CC2)C1 ZINC000039430701 570591586 /nfs/dbraw/zinc/59/15/86/570591586.db2.gz CCGVSFCIBAFANS-FCHUYYIVSA-N 1 0 399.579 3.457 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2cccc(-n3nc(C)cc3C)c2)C[C@H]1CCO ZINC000039466432 570591898 /nfs/dbraw/zinc/59/18/98/570591898.db2.gz GBQOWJQINDRMKP-HSZRJFAPSA-N 1 0 382.552 3.324 50 0 GGAARO CCn1c2ccccc2nc1CN1CC[N@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000039460861 570591909 /nfs/dbraw/zinc/59/19/09/570591909.db2.gz JWKHWBIEFYDYLG-OAQYLSRUSA-N 1 0 392.547 3.168 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccc(C)cc3)C[C@H]2CCO)cc(OC)c1 ZINC000039466259 570591936 /nfs/dbraw/zinc/59/19/36/570591936.db2.gz QLPNTVZUUJOJPQ-OAQYLSRUSA-N 1 0 384.520 3.081 50 0 GGAARO Cc1cc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc(C)c1O ZINC000039510557 570592692 /nfs/dbraw/zinc/59/26/92/570592692.db2.gz WVYKJFXJFVUENG-LJQANCHMSA-N 1 0 390.474 3.356 50 0 GGAARO Cn1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000039537224 570593186 /nfs/dbraw/zinc/59/31/86/570593186.db2.gz IXKKLYHPLIYFLU-JOCHJYFZSA-N 1 0 382.552 3.288 50 0 GGAARO CC(=O)Nc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039542587 570593296 /nfs/dbraw/zinc/59/32/96/570593296.db2.gz SWWRZVGCCSCBDU-XMMPIXPASA-N 1 0 395.547 3.146 50 0 GGAARO COc1cc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@H]2CCO)cc(OC)c1 ZINC000039552506 570593304 /nfs/dbraw/zinc/59/33/04/570593304.db2.gz QPHQMUBAXZYPCJ-GOSISDBHSA-N 1 0 390.549 3.143 50 0 GGAARO CCOc1cc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)ccc1O ZINC000039536951 570593315 /nfs/dbraw/zinc/59/33/15/570593315.db2.gz NDHALMXUCURNMQ-OAQYLSRUSA-N 1 0 384.520 3.168 50 0 GGAARO CC(C)c1csc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)n1 ZINC000039537129 570593388 /nfs/dbraw/zinc/59/33/88/570593388.db2.gz HVHWVSYULVLTNU-LJQANCHMSA-N 1 0 394.629 3.008 50 0 GGAARO Cc1cccc(-n2ccnc2CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039518824 570593663 /nfs/dbraw/zinc/59/36/63/570593663.db2.gz RNPKVVQQPQJIEA-HSZRJFAPSA-N 1 0 390.531 3.250 50 0 GGAARO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019372208 570596886 /nfs/dbraw/zinc/59/68/86/570596886.db2.gz SUIBWZOUIVAPGQ-FQEVSTJZSA-N 1 0 393.487 3.056 50 0 GGAARO C[NH+](C)CCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397242 570601217 /nfs/dbraw/zinc/60/12/17/570601217.db2.gz XUWPYJBBVRPCLI-UHFFFAOYSA-N 1 0 381.867 3.316 50 0 GGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000012057164 570602940 /nfs/dbraw/zinc/60/29/40/570602940.db2.gz MXEZAXLVGKHDJJ-LJQANCHMSA-N 1 0 383.872 3.251 50 0 GGAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012058672 570603429 /nfs/dbraw/zinc/60/34/29/570603429.db2.gz HEZODWZMXZPZDA-XMMPIXPASA-N 1 0 397.515 3.446 50 0 GGAARO CC(C)CCC(=O)N1CCC(Cn2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000048072007 570655109 /nfs/dbraw/zinc/65/51/09/570655109.db2.gz WTNXHXRHINCONR-UHFFFAOYSA-N 1 0 375.561 3.329 50 0 GGAARO Cc1sc2ncnc(N3CCC[C@@H](Cn4cc(C(C)(C)[NH3+])nn4)C3)c2c1C ZINC000048135001 570655599 /nfs/dbraw/zinc/65/55/99/570655599.db2.gz AYRULAMHGVKFTB-CQSZACIVSA-N 1 0 385.541 3.010 50 0 GGAARO COc1ccc2c(C)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1 ZINC000229716552 570666290 /nfs/dbraw/zinc/66/62/90/570666290.db2.gz HUVRKZCEPVFQRB-UZLBHIALSA-N 1 0 398.503 3.033 50 0 GGAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCc1cccs1 ZINC000012452516 570668250 /nfs/dbraw/zinc/66/82/50/570668250.db2.gz QKXRCYFTDWJRTP-KRWDZBQOSA-N 1 0 376.497 3.479 50 0 GGAARO CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@@H+]2[C@]12c1ccccc1NC2=O ZINC000230168405 570668338 /nfs/dbraw/zinc/66/83/38/570668338.db2.gz ULFMCIGWGKGASG-FAKFISEUSA-N 1 0 376.456 3.275 50 0 GGAARO CC(C)c1noc(-c2ccc(OCC(=O)NCCC[NH+]3CCCCC3)cc2)n1 ZINC000032579031 570678196 /nfs/dbraw/zinc/67/81/96/570678196.db2.gz BRETXXAICVQVMY-UHFFFAOYSA-N 1 0 386.496 3.231 50 0 GGAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1ccc(F)c(F)c1)CCO2 ZINC000055036351 570679594 /nfs/dbraw/zinc/67/95/94/570679594.db2.gz WQJTYYWMSZFEFH-NRFANRHFSA-N 1 0 376.447 3.129 50 0 GGAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC000055182718 570686125 /nfs/dbraw/zinc/68/61/25/570686125.db2.gz UWUDAGGDPIEOAH-FQEVSTJZSA-N 1 0 385.552 3.389 50 0 GGAARO O=C(C1CC1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055242627 570688426 /nfs/dbraw/zinc/68/84/26/570688426.db2.gz WEGQSZARWOTCBH-GOSISDBHSA-N 1 0 381.442 3.228 50 0 GGAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N(C)Cc2cc(Cl)ccc2OC)n1 ZINC000244735002 570695835 /nfs/dbraw/zinc/69/58/35/570695835.db2.gz NRITZJGRXQOSHU-JNSHFYNHSA-N 1 0 376.888 3.126 50 0 GGAARO CN1c2ccccc2C2(CC[NH+](C[C@H]3CC(c4ccccc4)=NO3)CC2)C1=O ZINC000244787668 570696227 /nfs/dbraw/zinc/69/62/27/570696227.db2.gz QBGAASWFQXGICA-GOSISDBHSA-N 1 0 375.472 3.190 50 0 GGAARO CN1c2ccccc2C2(CC[NH+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)C1=O ZINC000244787669 570696361 /nfs/dbraw/zinc/69/63/61/570696361.db2.gz QBGAASWFQXGICA-SFHVURJKSA-N 1 0 375.472 3.190 50 0 GGAARO O=C(CC[N@@H+]1CCCN(C(=O)c2ccoc2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000244900088 570698786 /nfs/dbraw/zinc/69/87/86/570698786.db2.gz ZVUKLTKUDNSWCU-UHFFFAOYSA-N 1 0 393.846 3.249 50 0 GGAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3ccco3)nc21 ZINC000004359416 570701717 /nfs/dbraw/zinc/70/17/17/570701717.db2.gz XTERIVPSMGCJFF-UHFFFAOYSA-N 1 0 375.450 3.115 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(Cl)cc2)NC3=O)cc1 ZINC000063847149 570751378 /nfs/dbraw/zinc/75/13/78/570751378.db2.gz SXORNJUBJRZZFC-UHFFFAOYSA-N 1 0 383.879 3.260 50 0 GGAARO CC[C@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)cccc23)CC[N@@H+]1C ZINC000063846508 570751384 /nfs/dbraw/zinc/75/13/84/570751384.db2.gz WJMDLRIKBPEIDG-KRWDZBQOSA-N 1 0 377.492 3.110 50 0 GGAARO COc1ccc(-c2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c3c(C)noc3n2)cc1 ZINC000036613859 570757669 /nfs/dbraw/zinc/75/76/69/570757669.db2.gz QHVAZSRHWPSRTA-MRXNPFEDSA-N 1 0 392.459 3.127 50 0 GGAARO COC(=O)C[C@@H](c1oc(CN2CCc3ccccc3C2)cc(=O)c1O)C(C)C ZINC000524731139 570766035 /nfs/dbraw/zinc/76/60/35/570766035.db2.gz LHNDFWMSRQVIIJ-GOSISDBHSA-N 1 0 385.460 3.206 50 0 biogenic GGAARO COc1ccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022031429 570778390 /nfs/dbraw/zinc/77/83/90/570778390.db2.gz VWIWSZAQESTXKI-LAUBAEHRSA-N 1 0 398.576 3.359 50 0 GGAARO COc1ccc(NC(=S)N[C@H](C)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022031425 570778452 /nfs/dbraw/zinc/77/84/52/570778452.db2.gz VWIWSZAQESTXKI-UTKZUKDTSA-N 1 0 398.576 3.359 50 0 GGAARO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000022031366 570778469 /nfs/dbraw/zinc/77/84/69/570778469.db2.gz FPRPXNFJLALCJU-UZLBHIALSA-N 1 0 386.540 3.489 50 0 GGAARO Cc1nc(-c2ccccc2)sc1C(=O)NCCNc1nc(N(C)C)cc(C)[nH+]1 ZINC000036708117 570794052 /nfs/dbraw/zinc/79/40/52/570794052.db2.gz JOCOIWRYCRERPS-UHFFFAOYSA-N 1 0 396.520 3.125 50 0 GGAARO O=C(c1nn2cccnc2c1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004653264 570806775 /nfs/dbraw/zinc/80/67/75/570806775.db2.gz QEXHFOAJCUFFQT-UHFFFAOYSA-N 1 0 399.926 3.109 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccn1 ZINC000005967771 570810240 /nfs/dbraw/zinc/81/02/40/570810240.db2.gz CUJHFOUDIWIZGF-IBGZPJMESA-N 1 0 377.444 3.075 50 0 GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccncc1 ZINC000005967769 570810246 /nfs/dbraw/zinc/81/02/46/570810246.db2.gz DZDZIGMZMMGQPN-IBGZPJMESA-N 1 0 377.444 3.075 50 0 GGAARO CCOc1ccc(/C=C(\C(=O)NCCC[NH+](CC)CC)n2ccccc2=O)cc1 ZINC000004680510 570828600 /nfs/dbraw/zinc/82/86/00/570828600.db2.gz CMNANLVYPYSHPY-DYTRJAOYSA-N 1 0 397.519 3.093 50 0 GGAARO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000004689460 570834874 /nfs/dbraw/zinc/83/48/74/570834874.db2.gz ZYVLGZXPMFGDFX-SFHVURJKSA-N 1 0 391.899 3.433 50 0 GGAARO COc1ccccc1S(=O)(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000043954156 570844037 /nfs/dbraw/zinc/84/40/37/570844037.db2.gz DBYIBQQVASHTLI-UHFFFAOYSA-N 1 0 392.521 3.096 50 0 GGAARO CC(=O)c1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000043953874 570844044 /nfs/dbraw/zinc/84/40/44/570844044.db2.gz WWZOIBINNNRYIL-UHFFFAOYSA-N 1 0 392.546 3.141 50 0 GGAARO Cc1cc(C[NH+]2CCC(CNS(=O)(=O)c3ccccc3F)CC2)c(C)o1 ZINC000043954114 570844074 /nfs/dbraw/zinc/84/40/74/570844074.db2.gz QBKQWQUCGODDTB-UHFFFAOYSA-N 1 0 380.485 3.226 50 0 GGAARO COc1ccc(CC(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000043971905 570846935 /nfs/dbraw/zinc/84/69/35/570846935.db2.gz HXIOIBWAEPWMNK-UHFFFAOYSA-N 1 0 388.533 3.336 50 0 GGAARO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1cccc(F)c1F)C2 ZINC000014531368 570847743 /nfs/dbraw/zinc/84/77/43/570847743.db2.gz GRKKIOFFRWPIOV-OAHLLOKOSA-N 1 0 390.478 3.166 50 0 GGAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)c1 ZINC000014535400 570848035 /nfs/dbraw/zinc/84/80/35/570848035.db2.gz GXPJWZQBWDNCTM-UHFFFAOYSA-N 1 0 393.487 3.124 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(F)cc1)C2 ZINC000014535532 570848186 /nfs/dbraw/zinc/84/81/86/570848186.db2.gz AABGBVFQEBRBMB-LJQANCHMSA-N 1 0 398.526 3.358 50 0 GGAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC)o1 ZINC000014539412 570848980 /nfs/dbraw/zinc/84/89/80/570848980.db2.gz YKVJCNDMYQRCGC-UHFFFAOYSA-N 1 0 396.491 3.056 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cc1 ZINC000014539296 570849112 /nfs/dbraw/zinc/84/91/12/570849112.db2.gz GQFWAQAGKUCJNK-UHFFFAOYSA-N 1 0 393.487 3.124 50 0 GGAARO Cc1cc(CNC(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)on1 ZINC000072145532 570870978 /nfs/dbraw/zinc/87/09/78/570870978.db2.gz HHYRJMUBLUHDBN-UHFFFAOYSA-N 1 0 389.499 3.311 50 0 GGAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072146629 570872308 /nfs/dbraw/zinc/87/23/08/570872308.db2.gz ZKLUYMFHZULSMI-JLXBBBJOSA-N 1 0 375.516 3.235 50 0 GGAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1cnc(-c2cccnc2)nc1 ZINC000072148635 570872840 /nfs/dbraw/zinc/87/28/40/570872840.db2.gz JJCBNSIAJQVFCJ-FQEVSTJZSA-N 1 0 379.508 3.313 50 0 GGAARO c1ccc([C@@H]2C[C@H](c3noc(CCCN4CCOCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299756762 570891855 /nfs/dbraw/zinc/89/18/55/570891855.db2.gz FKAOFLMUYYXLJD-ZCNNSNEGSA-N 1 0 382.508 3.027 50 0 GGAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000299766415 570893349 /nfs/dbraw/zinc/89/33/49/570893349.db2.gz IVWZDVGKUQTDAW-OAQYLSRUSA-N 1 0 394.515 3.362 50 0 GGAARO Cc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC2)o1 ZINC000299768714 570893434 /nfs/dbraw/zinc/89/34/34/570893434.db2.gz OUACVYDXFHAJHQ-KRWDZBQOSA-N 1 0 376.526 3.367 50 0 GGAARO COCCCNC(=O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+](C)C ZINC000299767135 570893561 /nfs/dbraw/zinc/89/35/61/570893561.db2.gz FOQYLBFOGRQFOP-AZUAARDMSA-N 1 0 395.975 3.025 50 0 GGAARO O=C(Nc1ccnn1C1CCCC1)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000299771771 570893931 /nfs/dbraw/zinc/89/39/31/570893931.db2.gz XHCGNPQGXNFIQL-UHFFFAOYSA-N 1 0 383.496 3.490 50 0 GGAARO COc1ccc(NC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000299774141 570894438 /nfs/dbraw/zinc/89/44/38/570894438.db2.gz BAUXWBSSTLQOLN-MRXNPFEDSA-N 1 0 381.904 3.457 50 0 GGAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000299775822 570894780 /nfs/dbraw/zinc/89/47/80/570894780.db2.gz KSRXBPKQCJCNLC-QGZVFWFLSA-N 1 0 384.455 3.129 50 0 GGAARO COc1cc(COc2ccc(C[NH2+][C@H]3CCCCNC3=O)cc2)cc(OC)c1 ZINC000299794203 570897001 /nfs/dbraw/zinc/89/70/01/570897001.db2.gz JJRXGTROUFMNMD-NRFANRHFSA-N 1 0 384.476 3.041 50 0 GGAARO Cc1nnc(SCCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)s1 ZINC000299795771 570897050 /nfs/dbraw/zinc/89/70/50/570897050.db2.gz LCJKKJANTRMEMU-BBWFWOEESA-N 1 0 388.562 3.280 50 0 GGAARO O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CC[NH+](C2CCSCC2)CC1 ZINC000299796299 570897172 /nfs/dbraw/zinc/89/71/72/570897172.db2.gz PEEKJFPPCQGGEN-UHFFFAOYSA-N 1 0 385.436 3.053 50 0 GGAARO Cc1c(C(=O)NCC[C@@H]2CCC[N@H+]2C)sc2ncnc(NCc3ccco3)c12 ZINC000299797470 570897484 /nfs/dbraw/zinc/89/74/84/570897484.db2.gz ATZMISHDFAKMEG-AWEZNQCLSA-N 1 0 399.520 3.419 50 0 GGAARO COc1ccccc1CN(CCO)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299798637 570897512 /nfs/dbraw/zinc/89/75/12/570897512.db2.gz UZQLNBJPIFVCRP-BDTNDASRSA-N 1 0 394.515 3.242 50 0 GGAARO COCc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000182377535 570905490 /nfs/dbraw/zinc/90/54/90/570905490.db2.gz PSMWZLPJCKNDHO-UHFFFAOYSA-N 1 0 378.476 3.123 50 0 GGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H](C(C)C)n1cccc1 ZINC000263585535 570907929 /nfs/dbraw/zinc/90/79/29/570907929.db2.gz JTNWNFZKDCSZLZ-HBMCJLEFSA-N 1 0 375.557 3.425 50 0 biogenic GGAARO Cc1nc2ccc(-c3ccc(C(=O)N(C)C[C@@]4(C)CC[N@H+](C)C4)cc3)cn2n1 ZINC000534629726 570908750 /nfs/dbraw/zinc/90/87/50/570908750.db2.gz GMTXVWNAJXOWCG-QFIPXVFZSA-N 1 0 377.492 3.119 50 0 GGAARO C[C@@H](CCNC(=O)N(Cc1ccccc1Cl)C1CC1)[NH+]1CCN(C)CC1 ZINC000534646041 570911282 /nfs/dbraw/zinc/91/12/82/570911282.db2.gz GXTHFLFUISLQQY-INIZCTEOSA-N 1 0 378.948 3.040 50 0 GGAARO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000534636371 570911738 /nfs/dbraw/zinc/91/17/38/570911738.db2.gz SMKWKXCFDPJMOB-HNNXBMFYSA-N 1 0 375.492 3.150 50 0 GGAARO CCN1CCC(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)([NH+](C)C)CC1 ZINC000534637690 570912457 /nfs/dbraw/zinc/91/24/57/570912457.db2.gz YCOADRYECWSLAR-UHFFFAOYSA-N 1 0 397.567 3.258 50 0 GGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000023127413 570912474 /nfs/dbraw/zinc/91/24/74/570912474.db2.gz YOKQESKUEDWZKY-UHFFFAOYSA-N 1 0 397.441 3.415 50 0 GGAARO O=C(NCCC1=CCCCC1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127435 570912491 /nfs/dbraw/zinc/91/24/91/570912491.db2.gz QZJPUJDIMOJPAP-UHFFFAOYSA-N 1 0 383.536 3.022 50 0 GGAARO CCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127534 570912499 /nfs/dbraw/zinc/91/24/99/570912499.db2.gz GVVOPKDPRIIELR-UHFFFAOYSA-N 1 0 385.533 3.277 50 0 GGAARO COc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127694 570912833 /nfs/dbraw/zinc/91/28/33/570912833.db2.gz QKPNHYGDWJVRKB-UHFFFAOYSA-N 1 0 398.912 3.132 50 0 GGAARO CCCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127695 570913006 /nfs/dbraw/zinc/91/30/06/570913006.db2.gz LLWHEKMPRQVLRM-UHFFFAOYSA-N 1 0 392.521 3.259 50 0 GGAARO CCOc1cc(CNC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)ccc1OC ZINC000534640916 570913096 /nfs/dbraw/zinc/91/30/96/570913096.db2.gz HLRHZCXHFKFLLE-UHFFFAOYSA-N 1 0 398.507 3.219 50 0 GGAARO COc1ccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000023128073 570913520 /nfs/dbraw/zinc/91/35/20/570913520.db2.gz COISXSQGEUXIMD-UHFFFAOYSA-N 1 0 388.533 3.336 50 0 GGAARO Cc1nnc(CN(C)C(=O)NC[C@H](c2ccccc2C)[NH+]2CCC(C)CC2)o1 ZINC000534651824 570914082 /nfs/dbraw/zinc/91/40/82/570914082.db2.gz JGOPMGOPOUHAFA-LJQANCHMSA-N 1 0 385.512 3.301 50 0 GGAARO CO[C@]12CC[N@H+](CC3=CCCCC3)[C@H]1C[C@H](NC(=O)c1cscn1)CC2 ZINC000534647219 570916729 /nfs/dbraw/zinc/91/67/29/570916729.db2.gz OJNAAHZPNUEPGW-IMFGXOCKSA-N 1 0 375.538 3.385 50 0 GGAARO Cc1ccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017040892 570938127 /nfs/dbraw/zinc/93/81/27/570938127.db2.gz OWVBMAKXYMYNQB-UHFFFAOYSA-N 1 0 379.508 3.046 50 0 GGAARO CC(C)(C)OC(=O)N1CCC2(C[C@H](N3CCC([NH+]4CCCC4)CC3)CO2)CC1 ZINC000006747707 570939235 /nfs/dbraw/zinc/93/92/35/570939235.db2.gz HDNITZDLRASXTN-IBGZPJMESA-N 1 0 393.572 3.105 50 0 GGAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCOCC1 ZINC000002100917 570942387 /nfs/dbraw/zinc/94/23/87/570942387.db2.gz ATYLIZXFQMGDRD-JOCHJYFZSA-N 1 0 377.488 3.244 50 0 biogenic GGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)CC1 ZINC000019217708 570962290 /nfs/dbraw/zinc/96/22/90/570962290.db2.gz LDNJGZQYQAWEDA-OAQYLSRUSA-N 1 0 380.536 3.185 50 0 GGAARO COc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c(OC)c1 ZINC000019223678 570964190 /nfs/dbraw/zinc/96/41/90/570964190.db2.gz DFUKNEPNGFVJDY-QFIPXVFZSA-N 1 0 398.547 3.205 50 0 GGAARO Cc1nn(C)c(Cl)c1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000019228058 570964674 /nfs/dbraw/zinc/96/46/74/570964674.db2.gz VJNRKQNUXACLNN-IBGZPJMESA-N 1 0 387.959 3.169 50 0 GGAARO O=S(=O)(c1ccccc1F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000252490268 570971222 /nfs/dbraw/zinc/97/12/22/570971222.db2.gz KNMWDAITMOWQFA-UHFFFAOYSA-N 1 0 378.513 3.101 50 0 GGAARO Cc1cccc(-c2ncc(CN3CCC[C@@H]([NH+]4CCC(CO)CC4)C3)cn2)c1 ZINC000019301134 570973928 /nfs/dbraw/zinc/97/39/28/570973928.db2.gz YINPDDCGTFYWBP-JOCHJYFZSA-N 1 0 380.536 3.121 50 0 GGAARO Cc1cccc(-c2ncc(CN3CCC[C@H]([NH+]4CCC(CO)CC4)C3)cn2)c1 ZINC000019301135 570974180 /nfs/dbraw/zinc/97/41/80/570974180.db2.gz YINPDDCGTFYWBP-QFIPXVFZSA-N 1 0 380.536 3.121 50 0 GGAARO CCCCC12CN3CC(C)(CN(C1)C31CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000019332234 570975478 /nfs/dbraw/zinc/97/54/78/570975478.db2.gz PJCDIXOHHJXPKV-UHFFFAOYSA-N 1 0 381.564 3.376 50 0 GGAARO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1Cl ZINC000023211748 570980016 /nfs/dbraw/zinc/98/00/16/570980016.db2.gz DVFXUSXIEGGWJK-SFHVURJKSA-N 1 0 378.875 3.349 50 0 GGAARO COc1ccc(-c2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)[nH]n2)c(OC)c1 ZINC000252536647 570991161 /nfs/dbraw/zinc/99/11/61/570991161.db2.gz JBAUCMXNUUTCRS-QRWLVFNGSA-N 1 0 398.507 3.088 50 0 GGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004811750 570998499 /nfs/dbraw/zinc/99/84/99/570998499.db2.gz CTXUHOOUQNQRMK-IBGZPJMESA-N 1 0 391.471 3.423 50 0 GGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000004811751 570998713 /nfs/dbraw/zinc/99/87/13/570998713.db2.gz CTXUHOOUQNQRMK-LJQANCHMSA-N 1 0 391.471 3.423 50 0 GGAARO Cc1cnc(CN2C[C@@]3(CCC[N@H+](CCCC(F)(F)F)C3)CCC2=O)cn1 ZINC000091270441 571001512 /nfs/dbraw/zinc/00/15/12/571001512.db2.gz JHFZNKPGSCPBNS-SFHVURJKSA-N 1 0 384.446 3.332 50 0 GGAARO O=C1CCC2(CC[NH+](CCOc3ccc(F)cc3)CC2)CN1C[C@H]1CCCO1 ZINC000091255129 571001707 /nfs/dbraw/zinc/00/17/07/571001707.db2.gz HFZPLHSOSIQQMC-HXUWFJFHSA-N 1 0 390.499 3.088 50 0 GGAARO C[NH+]1CCC(Cc2noc([C@H]3CCC(=O)N(CCCc4ccccc4)C3)n2)CC1 ZINC000091255596 571001768 /nfs/dbraw/zinc/00/17/68/571001768.db2.gz LGCAWBGMADTUKG-FQEVSTJZSA-N 1 0 396.535 3.293 50 0 GGAARO COc1ccc(Cl)cc1NC(=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019559665 571004909 /nfs/dbraw/zinc/00/49/09/571004909.db2.gz PJAICSVJNAZOSE-UHFFFAOYSA-N 1 0 387.911 3.495 50 0 GGAARO C[NH+]1CCC(CNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)(c2ccccc2)CC1 ZINC000091351210 571004913 /nfs/dbraw/zinc/00/49/13/571004913.db2.gz NWNOGRKLQBPKDT-UHFFFAOYSA-N 1 0 390.487 3.176 50 0 GGAARO Cc1oc(-c2cccs2)nc1CN1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000091390690 571005873 /nfs/dbraw/zinc/00/58/73/571005873.db2.gz ICHMZYMQSPYISV-UHFFFAOYSA-N 1 0 383.521 3.414 50 0 GGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(Cn4cccn4)c3)CC2)o1 ZINC000091410448 571006618 /nfs/dbraw/zinc/00/66/18/571006618.db2.gz POJKVKOGYNVRTL-UHFFFAOYSA-N 1 0 392.503 3.475 50 0 GGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(N)nc3)CC2)C1 ZINC000091425869 571006959 /nfs/dbraw/zinc/00/69/59/571006959.db2.gz WGAPFOJLBHCLJY-HXUWFJFHSA-N 1 0 378.520 3.396 50 0 GGAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](CCCn1ccnc1)CC2 ZINC000091440148 571008224 /nfs/dbraw/zinc/00/82/24/571008224.db2.gz SEXZXQZOCWWTAQ-XBXARRHUSA-N 1 0 378.520 3.301 50 0 GGAARO COCCN1CCC[C@]2(CC[N@H+](Cc3cc(C4CCCCC4)no3)C2)C1=O ZINC000091444941 571008471 /nfs/dbraw/zinc/00/84/71/571008471.db2.gz QBFRKGSOPKZKFC-OAQYLSRUSA-N 1 0 375.513 3.183 50 0 GGAARO C[NH+]1CCN(CCCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)CC1 ZINC000091445031 571008574 /nfs/dbraw/zinc/00/85/74/571008574.db2.gz WASAJLADJAAXCE-UHFFFAOYSA-N 1 0 391.559 3.233 50 0 GGAARO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)[nH]c2ccc(C)cc12 ZINC000091444933 571008670 /nfs/dbraw/zinc/00/86/70/571008670.db2.gz RNTNDVVJLOYMDO-QZTJIDSGSA-N 1 0 389.503 3.311 50 0 GGAARO O=C1CC[C@@]2(CCC[N@H+](CCCc3cccnc3)C2)CN1Cc1ccccn1 ZINC000091468328 571009872 /nfs/dbraw/zinc/00/98/72/571009872.db2.gz INGFLHVAGPLHOY-HSZRJFAPSA-N 1 0 378.520 3.314 50 0 GGAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](CCc1ccccc1)CC2 ZINC000091493103 571011090 /nfs/dbraw/zinc/01/10/90/571011090.db2.gz LDYYEEQJGRNAMY-UHFFFAOYSA-N 1 0 378.520 3.128 50 0 GGAARO Cc1cnc(CN2C[C@]3(CCC[N@@H+](C4Cc5ccccc5C4)C3)CCC2=O)cn1 ZINC000091562940 571014494 /nfs/dbraw/zinc/01/44/94/571014494.db2.gz ZNMGEBRLTJAWRL-XMMPIXPASA-N 1 0 390.531 3.157 50 0 GGAARO Cn1cc(Cl)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)n1 ZINC000091563109 571014855 /nfs/dbraw/zinc/01/48/55/571014855.db2.gz ZXVLVFYENPJLKS-ZWKOTPCHSA-N 1 0 386.927 3.243 50 0 GGAARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000091563468 571014870 /nfs/dbraw/zinc/01/48/70/571014870.db2.gz LFHMMBUJRCXMFT-UHFFFAOYSA-N 1 0 382.508 3.288 50 0 GGAARO CCN1CC2(CC[NH+](Cc3cnn(C)c3C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091586450 571015336 /nfs/dbraw/zinc/01/53/36/571015336.db2.gz WWCSVPZPTUNISF-NRFANRHFSA-N 1 0 380.536 3.347 50 0 GGAARO Cc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)cc1 ZINC000091602340 571016964 /nfs/dbraw/zinc/01/69/64/571016964.db2.gz FIDCWIVPHBXOED-UHFFFAOYSA-N 1 0 378.520 3.394 50 0 GGAARO Cc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091603286 571017991 /nfs/dbraw/zinc/01/79/91/571017991.db2.gz IBZLVIXVVDQEMI-HZPDHXFCSA-N 1 0 384.442 3.180 50 0 GGAARO Cn1ncc(Cl)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091626115 571020226 /nfs/dbraw/zinc/02/02/26/571020226.db2.gz AUROJSWGENSCGK-ZWKOTPCHSA-N 1 0 386.927 3.243 50 0 GGAARO CN(c1ccc(-c2nc(CCCc3ccccc3)no2)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000019595385 571020924 /nfs/dbraw/zinc/02/09/24/571020924.db2.gz SXBKBIFLBKRQCF-LJQANCHMSA-N 1 0 377.492 3.447 50 0 GGAARO CN(c1ccc(-c2nc(CCCc3ccccc3)no2)cn1)[C@H]1CC[N@H+](C)C1 ZINC000019595386 571021134 /nfs/dbraw/zinc/02/11/34/571021134.db2.gz SXBKBIFLBKRQCF-IBGZPJMESA-N 1 0 377.492 3.447 50 0 GGAARO COCC[NH+]1CCC(CN(C)C(=O)Cc2c(C)[nH]c3c2c(C)ccc3C)CC1 ZINC000091644532 571021453 /nfs/dbraw/zinc/02/14/53/571021453.db2.gz JMOOXENPFBEOJJ-UHFFFAOYSA-N 1 0 385.552 3.452 50 0 GGAARO CC(C)Nc1ncc(-c2cn(C3CC[NH+](Cc4ccccc4)CC3)nn2)cn1 ZINC000091645563 571021956 /nfs/dbraw/zinc/02/19/56/571021956.db2.gz MGXKUHCWXGJXKF-UHFFFAOYSA-N 1 0 377.496 3.393 50 0 GGAARO OCC[C@@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)CCN1Cc1ccsc1 ZINC000019641353 571022874 /nfs/dbraw/zinc/02/28/74/571022874.db2.gz SFMCGLYURHAMJB-OAQYLSRUSA-N 1 0 382.533 3.003 50 0 GGAARO O=C(c1ccccc1)N1CCC([N@@H+]2CC[C@H](Cc3cccc(CO)c3)C2)CC1 ZINC000091664256 571024804 /nfs/dbraw/zinc/02/48/04/571024804.db2.gz NTVACUVPWZLXIM-HXUWFJFHSA-N 1 0 378.516 3.348 50 0 GGAARO COc1cccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)[nH]n2)c1 ZINC000091665646 571025420 /nfs/dbraw/zinc/02/54/20/571025420.db2.gz YFRGTYOQVOKEJA-OAQYLSRUSA-N 1 0 378.476 3.426 50 0 GGAARO COc1ccc([C@H]2CN(c3nccc(-c4ccc(C)nc4C)n3)C[C@@H]2[NH3+])cc1 ZINC000091678757 571025560 /nfs/dbraw/zinc/02/55/60/571025560.db2.gz UTIWBQQVCVOSHI-UXHICEINSA-N 1 0 375.476 3.095 50 0 GGAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc3cc(C)oc31)CC2 ZINC000091679360 571025615 /nfs/dbraw/zinc/02/56/15/571025615.db2.gz ZTQKVMYZFOQKJN-UHFFFAOYSA-N 1 0 378.476 3.474 50 0 GGAARO CC(C)n1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cn1 ZINC000091706412 571026819 /nfs/dbraw/zinc/02/68/19/571026819.db2.gz YKIQIXHQICAZHH-UHFFFAOYSA-N 1 0 381.524 3.264 50 0 GGAARO CN1CC[NH+](CCC(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000091746627 571029409 /nfs/dbraw/zinc/02/94/09/571029409.db2.gz VWCGVTONRZFRNH-UHFFFAOYSA-N 1 0 391.559 3.233 50 0 GGAARO [NH3+][C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000091781000 571030659 /nfs/dbraw/zinc/03/06/59/571030659.db2.gz ZKPWBYKNCKZBNP-QFIPXVFZSA-N 1 0 391.515 3.118 50 0 GGAARO CCc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)cn1 ZINC000091782385 571030851 /nfs/dbraw/zinc/03/08/51/571030851.db2.gz IXDJIUXNDIZRCA-HXUWFJFHSA-N 1 0 378.520 3.267 50 0 GGAARO Cc1ccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)cc1O ZINC000091829236 571032118 /nfs/dbraw/zinc/03/21/18/571032118.db2.gz UXJFSIHUSFJBFA-UHFFFAOYSA-N 1 0 382.508 3.366 50 0 GGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)C1 ZINC000091820166 571032296 /nfs/dbraw/zinc/03/22/96/571032296.db2.gz LBSFZAIKBLSBOX-IBGZPJMESA-N 1 0 379.504 3.107 50 0 GGAARO CC(C)c1cc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)on1 ZINC000091894451 571035180 /nfs/dbraw/zinc/03/51/80/571035180.db2.gz ZJZCSNDJMRWZIX-QGZVFWFLSA-N 1 0 375.513 3.182 50 0 GGAARO COc1c(C)cnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)c1C ZINC000091906850 571035672 /nfs/dbraw/zinc/03/56/72/571035672.db2.gz IIZRPKVZPJSIBH-VQTJNVASSA-N 1 0 379.504 3.330 50 0 GGAARO CCc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cs1 ZINC000091934511 571036389 /nfs/dbraw/zinc/03/63/89/571036389.db2.gz GCBWQXOTWWQQHN-QGZVFWFLSA-N 1 0 390.597 3.004 50 0 GGAARO Cc1ccc([C@H](C[NH2+]Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)N2CCOCC2)o1 ZINC000091931044 571036507 /nfs/dbraw/zinc/03/65/07/571036507.db2.gz GPIXYDZEJYJMIN-IBGZPJMESA-N 1 0 395.503 3.209 50 0 GGAARO CCc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cs1 ZINC000091934504 571036641 /nfs/dbraw/zinc/03/66/41/571036641.db2.gz GCBWQXOTWWQQHN-KRWDZBQOSA-N 1 0 390.597 3.004 50 0 GGAARO C[NH+](C)[C@H]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCCO ZINC000091952257 571037566 /nfs/dbraw/zinc/03/75/66/571037566.db2.gz YMQFLLGLKLDZQJ-QUCCMNQESA-N 1 0 388.943 3.322 50 0 GGAARO COc1ccccc1C[NH+]1CCC2(CC(=O)N(Cc3c(C)noc3C)C2)CC1 ZINC000091965485 571038035 /nfs/dbraw/zinc/03/80/35/571038035.db2.gz ZPLKAXPSIYQYLY-UHFFFAOYSA-N 1 0 383.492 3.315 50 0 GGAARO C[N@@H+]1CCC[C@H](CCC(=O)N(Cc2ccncc2)Cc2ccc3c(c2)OCO3)C1 ZINC000091966701 571038552 /nfs/dbraw/zinc/03/85/52/571038552.db2.gz QGKLTRFBJURUHK-GOSISDBHSA-N 1 0 395.503 3.461 50 0 GGAARO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc3[nH]c4ccccc4c3c2)C[C@H]1CCCO ZINC000092021562 571041111 /nfs/dbraw/zinc/04/11/11/571041111.db2.gz HEJJQAAGCPEONI-JPYJTQIMSA-N 1 0 393.531 3.415 50 0 GGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c(C)c1 ZINC000092028142 571041735 /nfs/dbraw/zinc/04/17/35/571041735.db2.gz BQCDZVOLJIYLKH-NRFANRHFSA-N 1 0 386.536 3.387 50 0 GGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000092036862 571041912 /nfs/dbraw/zinc/04/19/12/571041912.db2.gz DKCAYBXBMXISGJ-KRWDZBQOSA-N 1 0 378.432 3.009 50 0 GGAARO O=c1cc(C[NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)[nH]c2c(F)cccc12 ZINC000092037836 571042155 /nfs/dbraw/zinc/04/21/55/571042155.db2.gz KNJQHVOYGAFIBX-OAQYLSRUSA-N 1 0 378.447 3.118 50 0 GGAARO COc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000092061878 571042927 /nfs/dbraw/zinc/04/29/27/571042927.db2.gz VTBWBARUMVISAS-GHTZIAJQSA-N 1 0 379.504 3.146 50 0 GGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cn3cc(C)ccc3n1)C2 ZINC000092062080 571043022 /nfs/dbraw/zinc/04/30/22/571043022.db2.gz VHFBIBGGWWSMPB-AZUAARDMSA-N 1 0 379.508 3.344 50 0 GGAARO COc1ccnc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)c1 ZINC000092062405 571043433 /nfs/dbraw/zinc/04/34/33/571043433.db2.gz UUPVLIBOAICXIO-UHFFFAOYSA-N 1 0 379.504 3.495 50 0 GGAARO CS[C@@H](C)CC[NH+]1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000092099271 571044910 /nfs/dbraw/zinc/04/49/10/571044910.db2.gz WSZDVHCVAJELHP-SFHVURJKSA-N 1 0 378.586 3.119 50 0 GGAARO O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2)NCc1cccs1 ZINC000095352370 571050154 /nfs/dbraw/zinc/05/01/54/571050154.db2.gz JFBYAXZUCRNPQQ-PKOBYXMFSA-N 1 0 387.524 3.100 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)C[C@H]2[NH+](C)C)cc1 ZINC000095352574 571050433 /nfs/dbraw/zinc/05/04/33/571050433.db2.gz WCFWYWGANHLJRL-RBBKRZOGSA-N 1 0 375.472 3.413 50 0 GGAARO COc1cccc2c1OC[C@H](CNC(=O)CCC[NH+]1Cc3ccccc3C1)C2 ZINC000095356448 571052326 /nfs/dbraw/zinc/05/23/26/571052326.db2.gz MLCSZHZZURIEBE-KRWDZBQOSA-N 1 0 380.488 3.159 50 0 GGAARO O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095356147 571052424 /nfs/dbraw/zinc/05/24/24/571052424.db2.gz LGJKDRVGEYJXSS-QFBILLFUSA-N 1 0 382.435 3.291 50 0 GGAARO Cc1nn(C)cc1C[NH+]1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095357637 571052718 /nfs/dbraw/zinc/05/27/18/571052718.db2.gz DCCAMONFMNIRHL-RMKNXTFCSA-N 1 0 378.520 3.256 50 0 GGAARO O=C(c1c(F)cccc1F)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357594 571052792 /nfs/dbraw/zinc/05/27/92/571052792.db2.gz KXSUUAUHNDUWNY-ZLGUVYLKSA-N 1 0 384.426 3.373 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2[nH]cc(C)c(=O)c2C)C3)cc1 ZINC000095357277 571052967 /nfs/dbraw/zinc/05/29/67/571052967.db2.gz QHEDADDBFKHTEZ-VQTJNVASSA-N 1 0 381.520 3.097 50 0 GGAARO COc1ccccc1NC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000095359234 571054107 /nfs/dbraw/zinc/05/41/07/571054107.db2.gz PGDPJFDTYRZHKT-DLBZAZTESA-N 1 0 384.480 3.428 50 0 GGAARO Cc1ccccc1N1CC[C@H](CNC(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000095359087 571054120 /nfs/dbraw/zinc/05/41/20/571054120.db2.gz IBEACWWKQLAMFD-LJQANCHMSA-N 1 0 381.520 3.443 50 0 GGAARO COc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1F ZINC000095360023 571054517 /nfs/dbraw/zinc/05/45/17/571054517.db2.gz ABDVSABTGSQGKS-VLCRHTCISA-N 1 0 396.462 3.242 50 0 GGAARO Cc1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ccc1O ZINC000095360518 571054973 /nfs/dbraw/zinc/05/49/73/571054973.db2.gz NIUNEAVESVPRJU-KSEOMHKRSA-N 1 0 378.472 3.109 50 0 GGAARO CCc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095361767 571055481 /nfs/dbraw/zinc/05/54/81/571055481.db2.gz KSGDYNZDFFADAG-QFBILLFUSA-N 1 0 379.504 3.249 50 0 GGAARO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000095364476 571057320 /nfs/dbraw/zinc/05/73/20/571057320.db2.gz HJUKZKAPBVDITF-ZWKOTPCHSA-N 1 0 382.508 3.107 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3ccc(O)cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095364427 571057473 /nfs/dbraw/zinc/05/74/73/571057473.db2.gz IRBBBEASIPPLAO-YPAWHYETSA-N 1 0 378.472 3.103 50 0 GGAARO Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000095366982 571058886 /nfs/dbraw/zinc/05/88/86/571058886.db2.gz DCKAONZORLBJAG-GHTZIAJQSA-N 1 0 375.516 3.402 50 0 GGAARO Cc1ccc(F)cc1CC(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095370503 571060869 /nfs/dbraw/zinc/06/08/69/571060869.db2.gz RBJFRGCNOSOZQF-UHFFFAOYSA-N 1 0 386.515 3.231 50 0 GGAARO O=C(C1CCCCC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095370826 571060903 /nfs/dbraw/zinc/06/09/03/571060903.db2.gz PQNBOYYHXADRGD-VLCRHTCISA-N 1 0 382.504 3.384 50 0 GGAARO COc1ccc(CCN(C)C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1OC ZINC000095371466 571061208 /nfs/dbraw/zinc/06/12/08/571061208.db2.gz CKUQSEPFZRNOHV-FQEVSTJZSA-N 1 0 382.504 3.486 50 0 GGAARO Cc1cn2c(nc(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccc3)C4)cc2=O)s1 ZINC000095371368 571061279 /nfs/dbraw/zinc/06/12/79/571061279.db2.gz DRAXHPKSOMCNBO-AZUAARDMSA-N 1 0 394.544 3.161 50 0 GGAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(C3CCCC3)s2)C1 ZINC000095372897 571062198 /nfs/dbraw/zinc/06/21/98/571062198.db2.gz LVLJIFSBNMEIFC-FUHWJXTLSA-N 1 0 375.582 3.390 50 0 GGAARO CSc1ccc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1 ZINC000095372831 571062400 /nfs/dbraw/zinc/06/24/00/571062400.db2.gz RKGXLGIPIWYRIX-AZUAARDMSA-N 1 0 381.545 3.469 50 0 GGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000095373270 571062690 /nfs/dbraw/zinc/06/26/90/571062690.db2.gz HKOJMLHEUJPMDB-UHFFFAOYSA-N 1 0 379.508 3.336 50 0 GGAARO O=C(c1ccsc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095373330 571062759 /nfs/dbraw/zinc/06/27/59/571062759.db2.gz YNGJOWQDFAONDQ-PWIZWCRZSA-N 1 0 382.485 3.179 50 0 GGAARO O=C(c1ccc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc1)N1CCCC1 ZINC000095374035 571062789 /nfs/dbraw/zinc/06/27/89/571062789.db2.gz PWJPYDJELRBZEP-IFMALSPDSA-N 1 0 390.531 3.418 50 0 GGAARO COc1cccc([C@H]2CN(C(=O)c3cccc(O)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095374707 571063656 /nfs/dbraw/zinc/06/36/56/571063656.db2.gz NOTLYBYYZZRYTD-YPAWHYETSA-N 1 0 378.472 3.103 50 0 GGAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)COc2ccccc2)C3)cc1 ZINC000095376085 571064139 /nfs/dbraw/zinc/06/41/39/571064139.db2.gz XMRRMBMWLNVVFI-VQTJNVASSA-N 1 0 380.488 3.197 50 0 GGAARO Cc1ncc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)c(C)n1 ZINC000095376434 571064627 /nfs/dbraw/zinc/06/46/27/571064627.db2.gz VLLFLQFUEMDCLR-FQEVSTJZSA-N 1 0 378.520 3.435 50 0 GGAARO C[C@H](C[NH+]1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1)C(F)(F)F ZINC000095377089 571064999 /nfs/dbraw/zinc/06/49/99/571064999.db2.gz BYAPQSMVHMCSHU-MRXNPFEDSA-N 1 0 386.462 3.176 50 0 GGAARO c1coc(-c2nnc(CN3C[C@H]4CC[C@@H]3C[N@@H+](C3Cc5ccccc5C3)C4)o2)c1 ZINC000095377199 571065292 /nfs/dbraw/zinc/06/52/92/571065292.db2.gz OKLNCCFKGLMSBR-QFBILLFUSA-N 1 0 390.487 3.393 50 0 GGAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]2C1 ZINC000095377801 571065325 /nfs/dbraw/zinc/06/53/25/571065325.db2.gz FFDFRLQZVRDSGD-XMSQKQJNSA-N 1 0 399.560 3.355 50 0 GGAARO CC(=O)c1cc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)cs1 ZINC000095378308 571065759 /nfs/dbraw/zinc/06/57/59/571065759.db2.gz XZWPMWIVTYNMON-UHFFFAOYSA-N 1 0 388.537 3.119 50 0 GGAARO Cc1c2ccccc2oc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000095379928 571066449 /nfs/dbraw/zinc/06/64/49/571066449.db2.gz PYIFPPAYSPENNL-QUCCMNQESA-N 1 0 399.535 3.044 50 0 GGAARO COc1cccc(C)c1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095379325 571066491 /nfs/dbraw/zinc/06/64/91/571066491.db2.gz RVNHJPYVQRGBOK-SFHVURJKSA-N 1 0 384.524 3.172 50 0 GGAARO CCc1nccn1CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095379613 571066667 /nfs/dbraw/zinc/06/66/67/571066667.db2.gz ADAGPMHLPULVEM-HXUWFJFHSA-N 1 0 380.536 3.174 50 0 GGAARO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000095382855 571068772 /nfs/dbraw/zinc/06/87/72/571068772.db2.gz VODFHZCDLDSHMQ-FCHUYYIVSA-N 1 0 378.520 3.320 50 0 GGAARO CCn1cc(C[NH+]2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)c(C)n1 ZINC000095383559 571069114 /nfs/dbraw/zinc/06/91/14/571069114.db2.gz GDGGZXIQJFIOCA-UHFFFAOYSA-N 1 0 395.551 3.054 50 0 GGAARO c1cnn(Cc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cc2)c1 ZINC000095383861 571069135 /nfs/dbraw/zinc/06/91/35/571069135.db2.gz HZZSWFZBOCDWBC-FYYLOGMGSA-N 1 0 380.536 3.007 50 0 GGAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(C4CCCC4)s3)C[C@@H]2C1 ZINC000095383374 571069174 /nfs/dbraw/zinc/06/91/74/571069174.db2.gz WMEPXTZEDWLAGH-DYESRHJHSA-N 1 0 391.581 3.346 50 0 GGAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000095383712 571069180 /nfs/dbraw/zinc/06/91/80/571069180.db2.gz NOQMYOAIXJWPKE-UHFFFAOYSA-N 1 0 388.943 3.437 50 0 GGAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000095383650 571069194 /nfs/dbraw/zinc/06/91/94/571069194.db2.gz QKULUAHJPQNOQI-ROVVAWJSSA-N 1 0 380.471 3.092 50 0 GGAARO COc1ccc([C@@H]2CN(C(=O)c3ccc(O)cc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095383733 571069204 /nfs/dbraw/zinc/06/92/04/571069204.db2.gz ALDQHVPXTXFQDT-BHDDXSALSA-N 1 0 378.472 3.103 50 0 GGAARO Cc1ccc([C@@H]2CN(C(=O)c3cnn4ccccc34)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095383990 571069508 /nfs/dbraw/zinc/06/95/08/571069508.db2.gz DNWODCREIVQTHG-MDNUFGMLSA-N 1 0 386.499 3.345 50 0 GGAARO CCCn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c(C)n1 ZINC000095385072 571069958 /nfs/dbraw/zinc/06/99/58/571069958.db2.gz BMLHNVNONMDPTB-AZUAARDMSA-N 1 0 384.499 3.477 50 0 GGAARO COc1ccc(/C=C/C[N@@H+]2C[C@@H]3c4ccc(OC)cc4OC[C@]3(CO)C2)cc1 ZINC000095387692 571071126 /nfs/dbraw/zinc/07/11/26/571071126.db2.gz UJPBIWQRXWFGJO-YPEZYPCKSA-N 1 0 381.472 3.188 50 0 GGAARO COCCCCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095387813 571071197 /nfs/dbraw/zinc/07/11/97/571071197.db2.gz LAGLMTQPWRQLIQ-MDNUFGMLSA-N 1 0 386.536 3.291 50 0 GGAARO Cc1ccccc1-c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cn1 ZINC000095387685 571071270 /nfs/dbraw/zinc/07/12/70/571071270.db2.gz SLMKFMUNYNEVHD-VQTJNVASSA-N 1 0 376.504 3.285 50 0 GGAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nnc(C(C)C)s1)C2 ZINC000095387972 571071279 /nfs/dbraw/zinc/07/12/79/571071279.db2.gz QVVVVUCXHWIFJT-HLIPFELVSA-N 1 0 394.585 3.005 50 0 GGAARO CC(C)c1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)on1 ZINC000095388581 571071690 /nfs/dbraw/zinc/07/16/90/571071690.db2.gz IRFYWQPKRRLVRR-IOMROCGXSA-N 1 0 381.476 3.206 50 0 GGAARO Cc1ccc(O)c(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000095388770 571071744 /nfs/dbraw/zinc/07/17/44/571071744.db2.gz HSQMZYSBEWAPMO-KSEOMHKRSA-N 1 0 378.472 3.109 50 0 GGAARO CSc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cc1 ZINC000095390262 571071991 /nfs/dbraw/zinc/07/19/91/571071991.db2.gz LKCCQTDSTBXKSW-QGZVFWFLSA-N 1 0 382.537 3.161 50 0 GGAARO CCCn1ccnc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095392213 571073005 /nfs/dbraw/zinc/07/30/05/571073005.db2.gz WITMSXKXMMVEJO-CDNPAEQRSA-N 1 0 394.519 3.084 50 0 GGAARO Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095391496 571073060 /nfs/dbraw/zinc/07/30/60/571073060.db2.gz XWRSRLYHFGPKLD-LJQANCHMSA-N 1 0 378.476 3.302 50 0 GGAARO O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCC(OCc2ccccn2)CC1 ZINC000095391526 571073133 /nfs/dbraw/zinc/07/31/33/571073133.db2.gz SBGWBGZFIZIVAD-FQEVSTJZSA-N 1 0 379.504 3.370 50 0 GGAARO C[NH+](C)CCn1ccnc1C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095509344 571080788 /nfs/dbraw/zinc/08/07/88/571080788.db2.gz BDGJNLOHGPHYSY-UHFFFAOYSA-N 1 0 382.537 3.347 50 0 GGAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](CCc2ncc[nH]2)C1 ZINC000095509957 571081059 /nfs/dbraw/zinc/08/10/59/571081059.db2.gz OKONRWFPGQIYGV-INIZCTEOSA-N 1 0 381.505 3.426 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 ZINC000095510151 571081473 /nfs/dbraw/zinc/08/14/73/571081473.db2.gz KRHKFJZPFHSJHG-IBGZPJMESA-N 1 0 395.551 3.128 50 0 GGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 ZINC000095510150 571081732 /nfs/dbraw/zinc/08/17/32/571081732.db2.gz KRHKFJZPFHSJHG-LJQANCHMSA-N 1 0 395.551 3.128 50 0 GGAARO O=C(/C=C/c1cccnc1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055370545 1406941714 /nfs/dbraw/zinc/94/17/14/1406941714.db2.gz CHWYDIONMMDNFR-YHEXHBFFSA-N 1 0 394.494 3.047 50 0 GGAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000002293348 1398306528 /nfs/dbraw/zinc/30/65/28/1398306528.db2.gz UVLGBEOLPJWMGW-ZIAGYGMSSA-N 1 0 387.480 3.412 50 0 GGAARO C[NH+](C)CCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 ZINC000002363368 1398308577 /nfs/dbraw/zinc/30/85/77/1398308577.db2.gz BOJPUDDOKCNTQH-UHFFFAOYSA-N 1 0 386.521 3.342 50 0 GGAARO [NH3+]CCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000002391284 1398309393 /nfs/dbraw/zinc/30/93/93/1398309393.db2.gz QBLICLBVVLLVCD-UHFFFAOYSA-N 1 0 382.537 3.479 50 0 GGAARO COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002414404 1398310653 /nfs/dbraw/zinc/31/06/53/1398310653.db2.gz LZAFBLOEGPJHRF-FQEVSTJZSA-N 1 0 392.455 3.299 50 0 GGAARO COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002408355 1398310722 /nfs/dbraw/zinc/31/07/22/1398310722.db2.gz ANEKXUGDROWEOJ-HXUWFJFHSA-N 1 0 392.455 3.299 50 0 GGAARO COc1ccccc1[C@@]1(CC(=O)NCCC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000004085213 1398379308 /nfs/dbraw/zinc/37/93/08/1398379308.db2.gz HKVSQADDPABDML-UNMCSNQZSA-N 1 0 376.541 3.226 50 0 biogenic GGAARO COc1ccccc1[C@]1(CC(=O)NCCC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000004085219 1398379314 /nfs/dbraw/zinc/37/93/14/1398379314.db2.gz HKVSQADDPABDML-IFMALSPDSA-N 1 0 376.541 3.226 50 0 biogenic GGAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccn1 ZINC000004271579 1398388112 /nfs/dbraw/zinc/38/81/12/1398388112.db2.gz ZUKMCTQKEIAETL-HXUWFJFHSA-N 1 0 391.471 3.383 50 0 GGAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000007109233 1398599564 /nfs/dbraw/zinc/59/95/64/1398599564.db2.gz OTGZFHRAIJXJOP-UHFFFAOYSA-N 1 0 385.533 3.118 50 0 GGAARO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(CCC[NH+](C)C)C3=O ZINC000008590454 1398841619 /nfs/dbraw/zinc/84/16/19/1398841619.db2.gz OLRYJTMDYGFHOE-HXUWFJFHSA-N 1 0 392.455 3.304 50 0 GGAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4cc(F)ccc4n3)C2)CC1 ZINC000011664897 1399003102 /nfs/dbraw/zinc/00/31/02/1399003102.db2.gz PLYJYEIYSFQMSN-SFHVURJKSA-N 1 0 398.526 3.140 50 0 GGAARO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](CC)Cc3ccncc3)C2)s1 ZINC000011667930 1399003995 /nfs/dbraw/zinc/00/39/95/1399003995.db2.gz XQVQOGPUUHDMGP-QGZVFWFLSA-N 1 0 393.578 3.381 50 0 GGAARO COCCN(Cc1nccs1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011814762 1399013749 /nfs/dbraw/zinc/01/37/49/1399013749.db2.gz UFEYYEVMMFEOHZ-SFHVURJKSA-N 1 0 385.577 3.471 50 0 GGAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1n[nH]c2c1CCCC2 ZINC000011819172 1399014301 /nfs/dbraw/zinc/01/43/01/1399014301.db2.gz UJPAHRCGFGKGPP-UHFFFAOYSA-N 1 0 398.526 3.454 50 0 GGAARO O=C(CC[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1)NC1CC1 ZINC000011840156 1399015285 /nfs/dbraw/zinc/01/52/85/1399015285.db2.gz CPTNKTPVZVXBNI-IBGZPJMESA-N 1 0 397.563 3.163 50 0 GGAARO CCn1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c1C ZINC000011879002 1399016656 /nfs/dbraw/zinc/01/66/56/1399016656.db2.gz WZKJSVDHTWDUEH-HSZRJFAPSA-N 1 0 396.535 3.235 50 0 GGAARO CCn1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c1C ZINC000011879001 1399016727 /nfs/dbraw/zinc/01/67/27/1399016727.db2.gz WZKJSVDHTWDUEH-QHCPKHFHSA-N 1 0 396.535 3.235 50 0 GGAARO COCC[NH2+]Cc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3 ZINC000011913480 1399017407 /nfs/dbraw/zinc/01/74/07/1399017407.db2.gz QGEVGNUZFZJFQA-UHFFFAOYSA-N 1 0 384.407 3.418 50 0 GGAARO O=C(CCC1CC[NH+](C2CSCCSC2)CC1)NCc1cccnc1 ZINC000011938204 1399018188 /nfs/dbraw/zinc/01/81/88/1399018188.db2.gz ZECDKAXTUBHZOG-UHFFFAOYSA-N 1 0 379.595 3.039 50 0 GGAARO O=C(NCc1ccco1)[C@@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000011970306 1399021585 /nfs/dbraw/zinc/02/15/85/1399021585.db2.gz XJLWCKJROLNYFA-INIZCTEOSA-N 1 0 382.489 3.203 50 0 GGAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)s1 ZINC000012021858 1399023928 /nfs/dbraw/zinc/02/39/28/1399023928.db2.gz BFGDHMDDZHJFTE-INIZCTEOSA-N 1 0 381.505 3.488 50 0 GGAARO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](CC(C)(C)C)CC2 ZINC000012030610 1399024638 /nfs/dbraw/zinc/02/46/38/1399024638.db2.gz USVCRLPHZTWKAO-GOSISDBHSA-N 1 0 398.555 3.095 50 0 GGAARO COc1cc(C[C@@H](C)[N@H+]2CCc3nnc(Cc4ccccc4)n3CC2)ccc1O ZINC000012080172 1399027773 /nfs/dbraw/zinc/02/77/73/1399027773.db2.gz HXJAXOABPLEJCM-QGZVFWFLSA-N 1 0 392.503 3.072 50 0 GGAARO COc1ccc2cc(C[N@@H+]3CCC[C@H]3CO)c(=O)n(Cc3ccccc3F)c2c1 ZINC000012079918 1399028044 /nfs/dbraw/zinc/02/80/44/1399028044.db2.gz XNMXFASVSMCURF-IBGZPJMESA-N 1 0 396.462 3.154 50 0 GGAARO COC(=O)c1ccc(C[NH+]2CCC(CO)(Cc3ccc(OC)cc3)CC2)cc1 ZINC000012090055 1399028212 /nfs/dbraw/zinc/02/82/12/1399028212.db2.gz VPGJHRTUKWGRSL-UHFFFAOYSA-N 1 0 383.488 3.299 50 0 GGAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CC2CC2)C4)c1 ZINC000012125981 1399030039 /nfs/dbraw/zinc/03/00/39/1399030039.db2.gz UFLGPXGPYUGUMY-INIZCTEOSA-N 1 0 395.528 3.372 50 0 GGAARO COc1cccc(CCNC(=O)[C@H]2CC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000012151699 1399031076 /nfs/dbraw/zinc/03/10/76/1399031076.db2.gz OVAILYMQTBXKNR-OAQYLSRUSA-N 1 0 379.504 3.051 50 0 GGAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCCN(C(=O)/C=C/c3ccco3)C1)CC2 ZINC000012193201 1399032580 /nfs/dbraw/zinc/03/25/80/1399032580.db2.gz OHEDEUUKZRVNPX-IHHMQQGQSA-N 1 0 396.487 3.359 50 0 GGAARO O=c1c2c3c(sc2ncn1CCCO)C[C@H]([NH2+]C1CCCCCC1)CC3 ZINC000012245738 1399034904 /nfs/dbraw/zinc/03/49/04/1399034904.db2.gz JPSVUCVLTGXWTB-OAHLLOKOSA-N 1 0 375.538 3.010 50 0 GGAARO COC(=O)c1ccc(CN2CC[N@H+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CCC2=O)cc1 ZINC000012279228 1399036412 /nfs/dbraw/zinc/03/64/12/1399036412.db2.gz RVVWOGGARCAWHX-SFTDATJTSA-N 1 0 396.531 3.500 50 0 GGAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCc2ccncc2)CC1 ZINC000012305853 1399037727 /nfs/dbraw/zinc/03/77/27/1399037727.db2.gz QDAOLVDITSOKNU-UHFFFAOYSA-N 1 0 395.547 3.436 50 0 GGAARO O[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012307603 1399038170 /nfs/dbraw/zinc/03/81/70/1399038170.db2.gz UUWIPUCWBIOHTM-VSUNYVQISA-N 1 0 395.522 3.096 50 0 GGAARO COC(=O)c1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)CCC2=O)cc1 ZINC000012326364 1399038934 /nfs/dbraw/zinc/03/89/34/1399038934.db2.gz LSEJCIRTKPTAOA-UHFFFAOYSA-N 1 0 396.487 3.025 50 0 GGAARO O=C1N(Cc2ccccc2F)CCC[C@@]1(O)C[NH2+]Cc1ccccc1Cl ZINC000012373274 1399039860 /nfs/dbraw/zinc/03/98/60/1399039860.db2.gz PJMAZAWTNDMGTE-HXUWFJFHSA-N 1 0 376.859 3.122 50 0 GGAARO O=C1N(Cc2ccccc2F)CCC[C@]1(O)C[NH2+]Cc1ccccc1Cl ZINC000012373275 1399040118 /nfs/dbraw/zinc/04/01/18/1399040118.db2.gz PJMAZAWTNDMGTE-FQEVSTJZSA-N 1 0 376.859 3.122 50 0 GGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(CC2CCCCC2)nn1 ZINC000012478179 1399045146 /nfs/dbraw/zinc/04/51/46/1399045146.db2.gz NXXBMWDHWFBWSA-UHFFFAOYSA-N 1 0 381.524 3.253 50 0 GGAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)CCCc3ccc(Cl)cc3)C2)CC1 ZINC000012573889 1399047294 /nfs/dbraw/zinc/04/72/94/1399047294.db2.gz LXKJDKSXQZQNKW-IBGZPJMESA-N 1 0 377.960 3.338 50 0 GGAARO COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)c(C)c1 ZINC000012570670 1399047500 /nfs/dbraw/zinc/04/75/00/1399047500.db2.gz YIBFIBKZIOOEEJ-INIZCTEOSA-N 1 0 383.496 3.320 50 0 GGAARO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)nc(C)n1 ZINC000012583963 1399048891 /nfs/dbraw/zinc/04/88/91/1399048891.db2.gz KXTDRPZGHRNCHV-SFHVURJKSA-N 1 0 384.499 3.259 50 0 GGAARO COc1cccc(OCc2cc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)no2)c1 ZINC000012595917 1399049541 /nfs/dbraw/zinc/04/95/41/1399049541.db2.gz KXTZKKNSVBLPTO-UHFFFAOYSA-N 1 0 399.491 3.353 50 0 GGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000012612621 1399050380 /nfs/dbraw/zinc/05/03/80/1399050380.db2.gz WGOKHRFWPRJGHI-OAQYLSRUSA-N 1 0 389.584 3.496 50 0 GGAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)C2=CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000012707994 1399054620 /nfs/dbraw/zinc/05/46/20/1399054620.db2.gz HWJFMIBVBCQXLB-SFHVURJKSA-N 1 0 375.557 3.058 50 0 GGAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000012708257 1399054633 /nfs/dbraw/zinc/05/46/33/1399054633.db2.gz LECIBIZMQDWZQD-OAHLLOKOSA-N 1 0 393.934 3.434 50 0 GGAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000012717861 1399055456 /nfs/dbraw/zinc/05/54/56/1399055456.db2.gz PMWAESIMQSLPFM-INIZCTEOSA-N 1 0 381.923 3.245 50 0 GGAARO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)c1 ZINC000012836701 1399060737 /nfs/dbraw/zinc/06/07/37/1399060737.db2.gz GNAVUVWPZXWERZ-QHCPKHFHSA-N 1 0 380.536 3.176 50 0 GGAARO O=C1C[N@@H+](C2CCCC2)C[C@H](OCc2ccncc2)CN1CCc1ccccc1 ZINC000014541910 1399109778 /nfs/dbraw/zinc/10/97/78/1399109778.db2.gz LUMHYGLOMCSTFJ-HSZRJFAPSA-N 1 0 393.531 3.296 50 0 GGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014535169 1399109835 /nfs/dbraw/zinc/10/98/35/1399109835.db2.gz WVOBVBHUIDLGSK-KRWDZBQOSA-N 1 0 384.499 3.315 50 0 GGAARO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H]([NH2+]CCc1ccccc1)C2 ZINC000014534035 1399109864 /nfs/dbraw/zinc/10/98/64/1399109864.db2.gz NKPZCTPNMFDEJS-QGZVFWFLSA-N 1 0 394.544 3.101 50 0 GGAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014881330 1399124578 /nfs/dbraw/zinc/12/45/78/1399124578.db2.gz CWUVMYYNIVTVPD-OAQYLSRUSA-N 1 0 394.515 3.362 50 0 GGAARO Cc1c(C(=O)N(C)C(C)C)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000014974057 1399129475 /nfs/dbraw/zinc/12/94/75/1399129475.db2.gz OWJPAZUYQUKDMN-UHFFFAOYSA-N 1 0 375.542 3.378 50 0 GGAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)CSC)CC2)c1 ZINC000014965862 1399129527 /nfs/dbraw/zinc/12/95/27/1399129527.db2.gz DFIDUAPBLDAHGJ-AWEZNQCLSA-N 1 0 378.538 3.182 50 0 GGAARO Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C(C)C)C4)n1 ZINC000014964995 1399129548 /nfs/dbraw/zinc/12/95/48/1399129548.db2.gz NCNMHHLIZHPWKH-INIZCTEOSA-N 1 0 399.564 3.217 50 0 GGAARO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000014978339 1399129590 /nfs/dbraw/zinc/12/95/90/1399129590.db2.gz KVJWTIWUPZVNKI-OAQYLSRUSA-N 1 0 397.563 3.066 50 0 GGAARO Cc1cc2nc(N3CCC([N@H+](C)CCc4cn[nH]c4)CC3)nc(C)c2cc1C ZINC000014989995 1399130227 /nfs/dbraw/zinc/13/02/27/1399130227.db2.gz LSQGIYCWRTZJHY-UHFFFAOYSA-N 1 0 378.524 3.421 50 0 GGAARO C=CCN1C(=O)C[C@H](C(=O)OC)C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000015006125 1399130955 /nfs/dbraw/zinc/13/09/55/1399130955.db2.gz OIPPUNCSJWACDI-SJLPKXTDSA-N 1 0 388.508 3.124 50 0 GGAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000015004387 1399130957 /nfs/dbraw/zinc/13/09/57/1399130957.db2.gz BYMJTXCJOIIRJC-ROUUACIJSA-N 1 0 392.927 3.496 50 0 GGAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)CC1 ZINC000015003083 1399131030 /nfs/dbraw/zinc/13/10/30/1399131030.db2.gz OJGWEPUWBAFHRK-UHFFFAOYSA-N 1 0 390.487 3.085 50 0 GGAARO O=C1C[C@@H]([NH2+]Cc2cccn2-c2nccs2)CN1CCCc1ccccc1 ZINC000015075340 1399136551 /nfs/dbraw/zinc/13/65/51/1399136551.db2.gz UARLYVAMZSZRPA-GOSISDBHSA-N 1 0 380.517 3.257 50 0 GGAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000015075173 1399136878 /nfs/dbraw/zinc/13/68/78/1399136878.db2.gz BUONXNHBMJYILL-INIZCTEOSA-N 1 0 393.934 3.434 50 0 GGAARO CN(C(=O)C(=O)CCc1ccccc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019112716 1399326072 /nfs/dbraw/zinc/32/60/72/1399326072.db2.gz ZYFJLXQHMKQUNS-JOCHJYFZSA-N 1 0 378.516 3.354 50 0 GGAARO CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000019221693 1399328337 /nfs/dbraw/zinc/32/83/37/1399328337.db2.gz NDRNWPPGSKSCQA-HXUWFJFHSA-N 1 0 389.503 3.042 50 0 GGAARO CCOc1ccc(CN2CCC[C@H]([N@H+](CC)Cc3ccncc3)C2)cc1CO ZINC000019225079 1399328627 /nfs/dbraw/zinc/32/86/27/1399328627.db2.gz YSUKFMMQLFNJKK-QFIPXVFZSA-N 1 0 383.536 3.459 50 0 GGAARO CSCC[NH2+][C@H]1CCc2c(sc3ncn(CCCOC(C)C)c(=O)c23)C1 ZINC000019228362 1399328687 /nfs/dbraw/zinc/32/86/87/1399328687.db2.gz BNKYACJVURRMTM-AWEZNQCLSA-N 1 0 395.594 3.083 50 0 GGAARO Cc1cc(N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)nc(C(C)C)n1 ZINC000019633224 1399333377 /nfs/dbraw/zinc/33/33/77/1399333377.db2.gz FPXAQWHVYCNWGD-RTWAWAEBSA-N 1 0 380.536 3.424 50 0 GGAARO Cc1cc(-c2cc(=O)[nH]c(-c3ccc(CN4CC[NH+](C)CC4)cc3)n2)c(C)o1 ZINC000019762593 1399337837 /nfs/dbraw/zinc/33/78/37/1399337837.db2.gz GCGWZGLEBIMJME-UHFFFAOYSA-N 1 0 378.476 3.061 50 0 GGAARO OCC[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)CC[N@@H+]1C1CCCC1 ZINC000019741038 1399337936 /nfs/dbraw/zinc/33/79/36/1399337936.db2.gz CILXHROYNNXAHR-SFHVURJKSA-N 1 0 390.915 3.201 50 0 GGAARO Cc1cc(NC(=O)Cn2nc(C)c(CCC[NH+](C)C)c2C)n(C2CCCC2)n1 ZINC000019799593 1399338832 /nfs/dbraw/zinc/33/88/32/1399338832.db2.gz BAGBEOAFLWYDSP-UHFFFAOYSA-N 1 0 386.544 3.253 50 0 GGAARO CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC1CC1)C3 ZINC000019839092 1399338836 /nfs/dbraw/zinc/33/88/36/1399338836.db2.gz IYCLDQGGXIQLQH-HNNXBMFYSA-N 1 0 375.538 3.130 50 0 GGAARO CC(C)n1cc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000019794567 1399338875 /nfs/dbraw/zinc/33/88/75/1399338875.db2.gz RKQPXXBAEIRJSP-QFIPXVFZSA-N 1 0 385.531 3.390 50 0 GGAARO COc1ccccc1OC(C)(C)c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019865590 1399339488 /nfs/dbraw/zinc/33/94/88/1399339488.db2.gz QJNPPJOPJYWPKR-UHFFFAOYSA-N 1 0 380.448 3.408 50 0 GGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000020149476 1399343470 /nfs/dbraw/zinc/34/34/70/1399343470.db2.gz USAGQCMCISIMJM-KXBFYZLASA-N 1 0 393.865 3.097 50 0 GGAARO Cc1ncc2c(c1-c1noc(-c3c[nH]nc3-c3ccccc3F)n1)CC[NH2+]C2 ZINC000020256816 1399344509 /nfs/dbraw/zinc/34/45/09/1399344509.db2.gz WNZGHLMTKNENES-UHFFFAOYSA-N 1 0 376.395 3.282 50 0 GGAARO CC(=O)Nc1ccc2nc(CN3CC[N@@H+](CCC(C)C)[C@@H](CCO)C3)ccc2c1 ZINC000020451032 1399346516 /nfs/dbraw/zinc/34/65/16/1399346516.db2.gz SVEUOQJXAIHPRZ-QFIPXVFZSA-N 1 0 398.551 3.108 50 0 GGAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020450665 1399346536 /nfs/dbraw/zinc/34/65/36/1399346536.db2.gz UXKKVIFEJNWJAC-SFHVURJKSA-N 1 0 399.457 3.444 50 0 GGAARO c1ccc(-c2noc(CN3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)n2)nc1 ZINC000020454826 1399347276 /nfs/dbraw/zinc/34/72/76/1399347276.db2.gz BNEJTVTYUKPENL-UHFFFAOYSA-N 1 0 379.508 3.074 50 0 GGAARO Cc1cc2nc(CCc3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)[nH]c2cc1C ZINC000020541665 1399348746 /nfs/dbraw/zinc/34/87/46/1399348746.db2.gz RPTZCYLWZNTJTB-UHFFFAOYSA-N 1 0 388.475 3.364 50 0 GGAARO Clc1ccc(-c2n[nH]cc2C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000020600996 1399350138 /nfs/dbraw/zinc/35/01/38/1399350138.db2.gz ABZOVELRNARRHF-QGZVFWFLSA-N 1 0 398.898 3.231 50 0 GGAARO CN(CCC[N@H+](C)CCCn1cnc2ccccc2c1=O)Cc1ccccc1 ZINC000020762416 1399352834 /nfs/dbraw/zinc/35/28/34/1399352834.db2.gz WBGNMKGEIHGTAE-UHFFFAOYSA-N 1 0 378.520 3.241 50 0 biogenic GGAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc2ccccc2[nH]1 ZINC000020906222 1399356640 /nfs/dbraw/zinc/35/66/40/1399356640.db2.gz QAZXQNJDCXKHRN-UHFFFAOYSA-N 1 0 382.552 3.436 50 0 GGAARO Cc1nccn1CCC[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000020908277 1399357093 /nfs/dbraw/zinc/35/70/93/1399357093.db2.gz BFIAEHMYYQIRRF-GOSISDBHSA-N 1 0 395.551 3.356 50 0 GGAARO Cc1cccc(C[C@@H](C)[NH2+]Cc2c(C(=O)N3CCCC3)nc3sccn23)n1 ZINC000020997395 1399360184 /nfs/dbraw/zinc/36/01/84/1399360184.db2.gz OVCVNWWPJJCVKF-OAHLLOKOSA-N 1 0 383.521 3.056 50 0 GGAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000020998502 1399360290 /nfs/dbraw/zinc/36/02/90/1399360290.db2.gz WHBDTPCGHRUURA-JOCHJYFZSA-N 1 0 376.504 3.146 50 0 GGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020999288 1399360521 /nfs/dbraw/zinc/36/05/21/1399360521.db2.gz PBRUSZXSWUKZRV-QFIPXVFZSA-N 1 0 378.520 3.313 50 0 GGAARO O=C(CC[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022216134 1399445082 /nfs/dbraw/zinc/44/50/82/1399445082.db2.gz URQRSYRFKGGKGY-QGZVFWFLSA-N 1 0 381.428 3.249 50 0 GGAARO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579760 1399479984 /nfs/dbraw/zinc/47/99/84/1399479984.db2.gz MYLSQZFNBGYTNW-HXUWFJFHSA-N 1 0 387.911 3.067 50 0 GGAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3cccn3-c3ncccn3)C2)c1 ZINC000022851386 1399510662 /nfs/dbraw/zinc/51/06/62/1399510662.db2.gz KJTPGCRLRNKJKS-LJQANCHMSA-N 1 0 377.492 3.030 50 0 GGAARO COc1cc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc(Cl)c1O ZINC000022853614 1399510815 /nfs/dbraw/zinc/51/08/15/1399510815.db2.gz MZTWCCZSMPTOAR-QGZVFWFLSA-N 1 0 382.932 3.256 50 0 GGAARO Cc1cccc(CN2CC[C@@H]([NH+]3CCN(Cc4ccncc4)CC3)CCC2=O)c1 ZINC000022917818 1399516883 /nfs/dbraw/zinc/51/68/83/1399516883.db2.gz LXORQEVEIUOIOU-QHCPKHFHSA-N 1 0 392.547 3.089 50 0 GGAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCCn2nnc3ccccc32)c(OC)c1 ZINC000023153270 1399535404 /nfs/dbraw/zinc/53/54/04/1399535404.db2.gz RPWQYTGWTOGFOJ-UHFFFAOYSA-N 1 0 392.463 3.019 50 0 GGAARO COc1cccc(-n2cc(-c3ccnc(NC[C@H]4CCCC[N@@H+]4C)n3)cn2)c1 ZINC000023337234 1399550302 /nfs/dbraw/zinc/55/03/02/1399550302.db2.gz ZMZCXLVFKHGROR-GOSISDBHSA-N 1 0 378.480 3.234 50 0 GGAARO CC(C)CN1C[C@@H]([NH2+]Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000023338730 1399550680 /nfs/dbraw/zinc/55/06/80/1399550680.db2.gz PPQBJVWJNSXKQR-GMAHTHKFSA-N 1 0 397.538 3.373 50 0 GGAARO OC1(c2cn(C[C@@H]3CCC[N@H+](Cc4c[nH]c5ccccc45)C3)nn2)CCCC1 ZINC000023339262 1399550832 /nfs/dbraw/zinc/55/08/32/1399550832.db2.gz HLNQVUWKTISKIR-QGZVFWFLSA-N 1 0 379.508 3.433 50 0 GGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000023362433 1399553026 /nfs/dbraw/zinc/55/30/26/1399553026.db2.gz WIPQTHCKNXPNGD-MJGOQNOKSA-N 1 0 391.437 3.184 50 0 GGAARO Cc1nccnc1-c1cc(=O)[nH]c(-c2cccc(C[N@H+]3CCC[C@H](C)C3)c2)n1 ZINC000023379803 1399554590 /nfs/dbraw/zinc/55/45/90/1399554590.db2.gz XEDABRKINOCJMB-HNNXBMFYSA-N 1 0 375.476 3.434 50 0 GGAARO Cc1nc([C@@H](C)N(C)Cc2ccc(-c3nc(CC[NH3+])cc(=O)[nH]3)cc2)c(C)s1 ZINC000023505959 1399566388 /nfs/dbraw/zinc/56/63/88/1399566388.db2.gz FZSZXYRYKAGHSE-CYBMUJFWSA-N 1 0 397.548 3.204 50 0 GGAARO COCCn1c2ccc(C)cc2cc(C[NH2+]CCc2nc3ccccc3[nH]2)c1=O ZINC000023619293 1399575231 /nfs/dbraw/zinc/57/52/31/1399575231.db2.gz FDWDACQLBIRUPK-UHFFFAOYSA-N 1 0 390.487 3.165 50 0 GGAARO CCOC(=O)C1CCN(c2cc(C)c3c(cc(OC)c(OC)c3OC)[nH+]2)CC1 ZINC000023634114 1399576251 /nfs/dbraw/zinc/57/62/51/1399576251.db2.gz MJSYPQGVDJSHJL-UHFFFAOYSA-N 1 0 388.464 3.349 50 0 GGAARO O=c1cc(-c2ccc(F)cc2)nc(-c2ccccc2C[N@@H+]2CCCOCC2)[nH]1 ZINC000048148063 1405075100 /nfs/dbraw/zinc/07/51/00/1405075100.db2.gz OTUSKYVEMNKYNZ-UHFFFAOYSA-N 1 0 379.435 3.465 50 0 GGAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)cc1 ZINC000048488485 1405205138 /nfs/dbraw/zinc/20/51/38/1405205138.db2.gz VUKTZCMIGIBVRH-KRWDZBQOSA-N 1 0 377.492 3.251 50 0 GGAARO Fc1ccc(-n2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057312816 1407585121 /nfs/dbraw/zinc/58/51/21/1407585121.db2.gz RNOCGEOBJSIZIJ-UHFFFAOYSA-N 1 0 388.450 3.277 50 0 GGAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(=O)c2ccccc2o1 ZINC000064521798 1408572798 /nfs/dbraw/zinc/57/27/98/1408572798.db2.gz XUUPFHVMGSRLRT-OAHLLOKOSA-N 1 0 382.485 3.497 50 0 GGAARO 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 1409746995 /nfs/dbraw/zinc/74/69/95/1409746995.db2.gz GYOGHROCTSEKDY-UNDWZADCSA-N 1 0 375.509 3.015 50 0 biogenic,in-vitro GGAARO COCCC[NH2+]Cc1cnc(C)c2oc(C(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000095473926 1410313818 /nfs/dbraw/zinc/31/38/18/1410313818.db2.gz HELXHIPQRNHGED-UHFFFAOYSA-N 1 0 396.443 3.265 50 0 GGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc3c(cccc3NC(C)=O)n2)C[C@H]1CCO ZINC000104533165 1410899115 /nfs/dbraw/zinc/89/91/15/1410899115.db2.gz PNARANNZZSVICB-HXUWFJFHSA-N 1 0 396.535 3.028 50 0 GGAARO Cn1ccnc1CCC[N@H+](C)C1CCN(c2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000104857467 1410981771 /nfs/dbraw/zinc/98/17/71/1410981771.db2.gz QRTSALXPUARBST-UHFFFAOYSA-N 1 0 378.524 3.344 50 0 GGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(=O)c2ccccc2o1 ZINC000140098322 1417488552 /nfs/dbraw/zinc/48/85/52/1417488552.db2.gz XUUPFHVMGSRLRT-HNNXBMFYSA-N 1 0 382.485 3.497 50 0 GGAARO CSc1ncccc1C(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 ZINC000225739251 1433367894 /nfs/dbraw/zinc/36/78/94/1433367894.db2.gz PBIOSWIEHADCLA-UHFFFAOYSA-N 1 0 397.548 3.180 50 0 GGAARO Cc1nc2c(c(N3CCC(NC(=O)c4c(F)cccc4F)CC3)n1)CCCC2 ZINC000225739487 1433367959 /nfs/dbraw/zinc/36/79/59/1433367959.db2.gz PEPIAFAKGCLKRQ-UHFFFAOYSA-N 1 0 386.446 3.341 50 0 GGAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000230027936 1433372445 /nfs/dbraw/zinc/37/24/45/1433372445.db2.gz DDSMXWPMRPIZSL-HNAYVOBHSA-N 1 0 396.487 3.432 50 0 GGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000230142926 1433372460 /nfs/dbraw/zinc/37/24/60/1433372460.db2.gz ZYZUPOYQAQQFRW-BXWFABGCSA-N 1 0 389.927 3.074 50 0 biogenic GGAARO Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000230207052 1433372677 /nfs/dbraw/zinc/37/26/77/1433372677.db2.gz TWUMQFHYDVBGEA-PXNSSMCTSA-N 1 0 398.555 3.465 50 0 biogenic GGAARO