smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccccc1)C1(C[NH3+])CCCCCCC1 ZINC000020553580 171249449 /nfs/dbraw/zinc/24/94/49/171249449.db2.gz MLJGQLAXMUMYMM-UHFFFAOYSA-N 1 3 260.425 3.560 10 0 CHAEHO CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)Cc1ccccc1 ZINC000020556327 171249772 /nfs/dbraw/zinc/24/97/72/171249772.db2.gz GRJNOFZDHXXMNA-RDJZCZTQSA-N 1 3 262.441 3.662 10 0 CHAEHO CC(C)C[C@H](NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000020555571 171250062 /nfs/dbraw/zinc/25/00/62/171250062.db2.gz WFEMGUUVYKYUQL-KRWDZBQOSA-N 1 3 276.468 3.951 10 0 CHAEHO CC[NH+](CC)CCOc1c2ccccc2ccc1[C@@H](C)N ZINC000035427296 172194491 /nfs/dbraw/zinc/19/44/91/172194491.db2.gz APAZSQQUZHPFIW-CQSZACIVSA-N 1 3 286.419 3.580 10 0 CHAEHO CCCCC[N@H+](Cc1ccc(F)cc1CN)C(C)C ZINC000071263474 176097068 /nfs/dbraw/zinc/09/70/68/176097068.db2.gz MLJUMGIIJQGJAL-UHFFFAOYSA-N 1 3 266.404 3.685 10 0 CHAEHO CCCCC[N@@H+](Cc1ccc(F)cc1CN)C(C)C ZINC000071263474 176097070 /nfs/dbraw/zinc/09/70/70/176097070.db2.gz MLJUMGIIJQGJAL-UHFFFAOYSA-N 1 3 266.404 3.685 10 0 CHAEHO CCCN(Cc1c(F)cccc1Cl)CC1CC[NH2+]CC1 ZINC000094012006 265208787 /nfs/dbraw/zinc/20/87/87/265208787.db2.gz NJWCFMNOZDYHMD-UHFFFAOYSA-N 1 3 298.833 3.691 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342101 265238503 /nfs/dbraw/zinc/23/85/03/265238503.db2.gz JMUZSJJLAYTFCM-CRAIPNDOSA-N 1 3 288.479 3.770 10 0 CHAEHO CC(C)[C@H](C)[N@H+](C)Cc1c2ccccc2sc1CN ZINC000052478538 519811818 /nfs/dbraw/zinc/81/18/18/519811818.db2.gz LXNQGQNQIZHCHS-LBPRGKRZSA-N 1 3 276.449 3.836 10 0 CHAEHO CC(C)[C@H](C)[N@@H+](C)Cc1c2ccccc2sc1CN ZINC000052478538 519811819 /nfs/dbraw/zinc/81/18/19/519811819.db2.gz LXNQGQNQIZHCHS-LBPRGKRZSA-N 1 3 276.449 3.836 10 0 CHAEHO CC(C)CNCc1occc1C[N@H+](C)[C@H](C)C(C)C ZINC000052478664 519748892 /nfs/dbraw/zinc/74/88/92/519748892.db2.gz XQUUSZHWGXZGDL-CQSZACIVSA-N 1 3 266.429 3.502 10 0 CHAEHO CC(C)CNCc1occc1C[N@@H+](C)[C@H](C)C(C)C ZINC000052478664 519748894 /nfs/dbraw/zinc/74/88/94/519748894.db2.gz XQUUSZHWGXZGDL-CQSZACIVSA-N 1 3 266.429 3.502 10 0 CHAEHO CCCC[N@H+](CC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052418889 520479685 /nfs/dbraw/zinc/47/96/85/520479685.db2.gz GZZLYOBUISLFSW-UHFFFAOYSA-N 1 3 266.429 3.708 10 0 CHAEHO CCCC[N@@H+](CC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052418889 520479688 /nfs/dbraw/zinc/47/96/88/520479688.db2.gz GZZLYOBUISLFSW-UHFFFAOYSA-N 1 3 266.429 3.708 10 0 CHAEHO CCC1(C)CC[NH+](C[C@@H]2C[C@H](C)CC[C@@H]2NC)CC1 ZINC000062957034 521678592 /nfs/dbraw/zinc/67/85/92/521678592.db2.gz MMAKARUXFJLAJD-PMPSAXMXSA-N 1 3 266.473 3.523 10 0 CHAEHO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1CN(C)C ZINC000020562898 171252563 /nfs/dbraw/zinc/25/25/63/171252563.db2.gz PQDZVJUZQCEMQN-MVVMVCHASA-N 1 3 274.452 3.663 10 0 CHAEHO CCCCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041888 174044655 /nfs/dbraw/zinc/04/46/55/174044655.db2.gz LMHSYPKTBKGCGR-JKSUJKDBSA-N 1 3 254.462 3.667 10 0 CHAEHO CC(C)N(Cc1ccccc1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040431886 174260472 /nfs/dbraw/zinc/26/04/72/174260472.db2.gz HVMKFWTUIFKOBB-DLBZAZTESA-N 1 3 260.425 3.557 10 0 CHAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309812848 333049965 /nfs/dbraw/zinc/04/99/65/333049965.db2.gz XBDQHBHLTUUSJG-GDAAHCPNSA-N 1 3 286.463 3.533 10 0 CHAEHO C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000517091679 333092725 /nfs/dbraw/zinc/09/27/25/333092725.db2.gz FOLLFCITQVLQIL-XIRDDKMYSA-N 1 3 274.452 3.752 10 0 CHAEHO C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@H]1CCCNC1 ZINC000517091679 333092727 /nfs/dbraw/zinc/09/27/27/333092727.db2.gz FOLLFCITQVLQIL-XIRDDKMYSA-N 1 3 274.452 3.752 10 0 CHAEHO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000382085355 336081522 /nfs/dbraw/zinc/08/15/22/336081522.db2.gz XEYVHZBVXNYHFH-DSLXNQLJSA-N 1 3 286.463 3.531 10 0 CHAEHO CCC[NH2+]Cc1ccoc1CN(C)[C@@H](C)C(C)(C)C ZINC000052504332 519958110 /nfs/dbraw/zinc/95/81/10/519958110.db2.gz DXFBUUSSYSVPSP-ZDUSSCGKSA-N 1 3 266.429 3.646 10 0 CHAEHO CCNCc1oc(C[N@H+](C)[C@H](C)C(C)(C)C)cc1C ZINC000052504635 520026690 /nfs/dbraw/zinc/02/66/90/520026690.db2.gz BQXRXSNOMNVXJO-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1oc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1C ZINC000052504635 520026696 /nfs/dbraw/zinc/02/66/96/520026696.db2.gz BQXRXSNOMNVXJO-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCCCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(NCC)C2 ZINC000054628974 520115204 /nfs/dbraw/zinc/11/52/04/520115204.db2.gz SVHOPSPUAZHCMR-MGNMYUMUSA-N 1 3 266.473 3.950 10 0 CHAEHO CCCCCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(NCC)C2 ZINC000054628974 520115214 /nfs/dbraw/zinc/11/52/14/520115214.db2.gz SVHOPSPUAZHCMR-MGNMYUMUSA-N 1 3 266.473 3.950 10 0 CHAEHO CCCCCC[C@@H](C)N1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628974 520115222 /nfs/dbraw/zinc/11/52/22/520115222.db2.gz SVHOPSPUAZHCMR-MGNMYUMUSA-N 1 3 266.473 3.950 10 0 CHAEHO CCCCCN(C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052454701 520151483 /nfs/dbraw/zinc/15/14/83/520151483.db2.gz XRYMGHSVGSQNQB-UHFFFAOYSA-N 1 3 266.429 3.708 10 0 CHAEHO CCCC1CCN([C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052374156 519902542 /nfs/dbraw/zinc/90/25/42/519902542.db2.gz MBAGSLPFVYLJLN-AWEZNQCLSA-N 1 3 254.462 3.665 10 0 CHAEHO CCCCCN(C)Cc1cc(C)c(C[NH2+]CCC)o1 ZINC000052455018 520151650 /nfs/dbraw/zinc/15/16/50/520151650.db2.gz YSNNUMOOWBWZHD-UHFFFAOYSA-N 1 3 266.429 3.710 10 0 CHAEHO CCCN(Cc1occc1C[NH2+]CC(C)C)C(C)C ZINC000052450265 521696769 /nfs/dbraw/zinc/69/67/69/521696769.db2.gz QIDSXHTUMMLYNG-UHFFFAOYSA-N 1 3 266.429 3.646 10 0 CHAEHO CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1(C)CCCC1 ZINC000104446138 186005479 /nfs/dbraw/zinc/00/54/79/186005479.db2.gz LFTPJYCPPCNMCX-MQVJKMGUSA-N 1 3 264.457 3.562 10 0 CHAEHO CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1(C)CCCC1 ZINC000104446138 186005480 /nfs/dbraw/zinc/00/54/80/186005480.db2.gz LFTPJYCPPCNMCX-MQVJKMGUSA-N 1 3 264.457 3.562 10 0 CHAEHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC1(C)CCCC1 ZINC000104446138 186005482 /nfs/dbraw/zinc/00/54/82/186005482.db2.gz LFTPJYCPPCNMCX-MQVJKMGUSA-N 1 3 264.457 3.562 10 0 CHAEHO C[C@@H](NCc1ccccc1C[NH+](C)C)c1cccs1 ZINC000020128618 171015336 /nfs/dbraw/zinc/01/53/36/171015336.db2.gz JFWYCDREPTZAOG-CYBMUJFWSA-N 1 3 274.433 3.661 10 0 CHAEHO C[C@@H](NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000020128598 171015628 /nfs/dbraw/zinc/01/56/28/171015628.db2.gz HDNQXXGRDZXCJM-OAHLLOKOSA-N 1 3 268.404 3.599 10 0 CHAEHO C[C@H](C[NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccccc1 ZINC000020143453 171029344 /nfs/dbraw/zinc/02/93/44/171029344.db2.gz YNYYHPYJXJSTHG-CQSZACIVSA-N 1 3 274.452 3.689 10 0 CHAEHO C[C@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000020143453 171029345 /nfs/dbraw/zinc/02/93/45/171029345.db2.gz YNYYHPYJXJSTHG-CQSZACIVSA-N 1 3 274.452 3.689 10 0 CHAEHO C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N2CCc3ccccc3C2)C1 ZINC000020552828 171248142 /nfs/dbraw/zinc/24/81/42/171248142.db2.gz LNLOQXIKTZDOKA-BEFAXECRSA-N 1 3 286.463 3.588 10 0 CHAEHO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1CN(C)C ZINC000020562901 171252755 /nfs/dbraw/zinc/25/27/55/171252755.db2.gz PQDZVJUZQCEMQN-GJZGRUSLSA-N 1 3 274.452 3.663 10 0 CHAEHO C[NH+](C)CC(C)(C)CN[C@@H]1CCCCc2ccccc21 ZINC000021029018 171291771 /nfs/dbraw/zinc/29/17/71/171291771.db2.gz WJSBUGDVWQXRIA-QGZVFWFLSA-N 1 3 274.452 3.632 10 0 CHAEHO CCN(CC)CCC[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021506274 171308293 /nfs/dbraw/zinc/30/82/93/171308293.db2.gz XVCIWVUXVJBKHE-BBWFWOEESA-N 1 3 268.489 3.769 10 0 CHAEHO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C)c3ccccc32)C[C@@]1(C)CN ZINC000312578678 260157830 /nfs/dbraw/zinc/15/78/30/260157830.db2.gz CFUMJDVGBYUSCA-KJWYOANISA-N 1 3 272.436 3.542 10 0 CHAEHO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C)c3ccccc32)C[C@@]1(C)CN ZINC000312578678 260157832 /nfs/dbraw/zinc/15/78/32/260157832.db2.gz CFUMJDVGBYUSCA-KJWYOANISA-N 1 3 272.436 3.542 10 0 CHAEHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000049856221 328380422 /nfs/dbraw/zinc/38/04/22/328380422.db2.gz LGLQMRLJQQDCEN-CJNGLKHVSA-N 1 3 280.843 3.865 10 0 CHAEHO C[C@H](c1ccc2ccccc2c1)N(C)CC(C)(C)C[NH3+] ZINC000093873104 327145827 /nfs/dbraw/zinc/14/58/27/327145827.db2.gz SDDGSTUYRLYKRL-CQSZACIVSA-N 1 3 270.420 3.818 10 0 CHAEHO C[C@H](c1ccc2ccccc2c1)[N@H+](C)CC(C)(C)CN ZINC000093873104 327145828 /nfs/dbraw/zinc/14/58/28/327145828.db2.gz SDDGSTUYRLYKRL-CQSZACIVSA-N 1 3 270.420 3.818 10 0 CHAEHO C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)CN ZINC000093873104 327145829 /nfs/dbraw/zinc/14/58/29/327145829.db2.gz SDDGSTUYRLYKRL-CQSZACIVSA-N 1 3 270.420 3.818 10 0 CHAEHO C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)CN1CCCC1 ZINC000057994352 330380375 /nfs/dbraw/zinc/38/03/75/330380375.db2.gz APROOFNKCOEAMI-XHSDSOJGSA-N 1 3 266.473 3.523 10 0 CHAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309812857 333049957 /nfs/dbraw/zinc/04/99/57/333049957.db2.gz XBDQHBHLTUUSJG-WZGPROSRSA-N 1 3 286.463 3.533 10 0 CHAEHO C[C@H](N[C@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000517091676 333092631 /nfs/dbraw/zinc/09/26/31/333092631.db2.gz FOLLFCITQVLQIL-BHYGNILZSA-N 1 3 274.452 3.752 10 0 CHAEHO C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@H]1CCCNC1 ZINC000517091676 333092632 /nfs/dbraw/zinc/09/26/32/333092632.db2.gz FOLLFCITQVLQIL-BHYGNILZSA-N 1 3 274.452 3.752 10 0 CHAEHO CC(C)NC[C@@H](C(C)C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482191 519722471 /nfs/dbraw/zinc/72/24/71/519722471.db2.gz PXOCKUINDVAIAB-BBWFWOEESA-N 1 3 266.473 3.521 10 0 CHAEHO CC(C)NC[C@@H](C(C)C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482191 519722473 /nfs/dbraw/zinc/72/24/73/519722473.db2.gz PXOCKUINDVAIAB-BBWFWOEESA-N 1 3 266.473 3.521 10 0 CHAEHO CCC[NH2+][C@H](CCN1CCC(C)CC1)C(C)(C)C ZINC000054026953 520073787 /nfs/dbraw/zinc/07/37/87/520073787.db2.gz VGWQKLBUYZARPN-OAHLLOKOSA-N 1 3 254.462 3.523 10 0 CHAEHO CC(C)(C)CC[N@@H+](CCCN)C1CCCCCC1 ZINC000049254369 518647339 /nfs/dbraw/zinc/64/73/39/518647339.db2.gz DIHDTIKMJYTCAT-UHFFFAOYSA-N 1 3 254.462 3.796 10 0 CHAEHO CC(C)(C)CC[N@H+](CCCN)C1CCCCCC1 ZINC000049254369 518647336 /nfs/dbraw/zinc/64/73/36/518647336.db2.gz DIHDTIKMJYTCAT-UHFFFAOYSA-N 1 3 254.462 3.796 10 0 CHAEHO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN(C)C1CC1 ZINC000054559741 520026512 /nfs/dbraw/zinc/02/65/12/520026512.db2.gz ASLVHXXBCZJJSI-ZMSDIMECSA-N 1 3 266.473 3.521 10 0 CHAEHO CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(CCC)C1 ZINC000050887322 521153121 /nfs/dbraw/zinc/15/31/21/521153121.db2.gz REZHNJXDHFTEIE-HRCADAONSA-N 1 3 254.462 3.665 10 0 CHAEHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529332 522735684 /nfs/dbraw/zinc/73/56/84/522735684.db2.gz RRQMZSLJLZZCED-MCIONIFRSA-N 1 3 266.454 3.519 10 0 CHAEHO CC[C@H](N[C@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529332 522735691 /nfs/dbraw/zinc/73/56/91/522735691.db2.gz RRQMZSLJLZZCED-MCIONIFRSA-N 1 3 266.454 3.519 10 0 CHAEHO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000021500773 171305349 /nfs/dbraw/zinc/30/53/49/171305349.db2.gz JCSMDAODWUTVQV-JKSUJKDBSA-N 1 3 266.473 3.667 10 0 CHAEHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021506272 171308254 /nfs/dbraw/zinc/30/82/54/171308254.db2.gz XVCIWVUXVJBKHE-GVDBMIGSSA-N 1 3 268.489 3.769 10 0 CHAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC000037219872 173037604 /nfs/dbraw/zinc/03/76/04/173037604.db2.gz QYBZNCCVFKWWRY-NVXWUHKLSA-N 1 3 264.457 3.587 10 0 CHAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC000037219870 173037970 /nfs/dbraw/zinc/03/79/70/173037970.db2.gz QYBZNCCVFKWWRY-WBVHZDCISA-N 1 3 264.457 3.587 10 0 CHAEHO NCC[C@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000070148758 260152766 /nfs/dbraw/zinc/15/27/66/260152766.db2.gz ODCYCXGCNUMCMO-QGZVFWFLSA-N 1 3 268.404 3.543 10 0 CHAEHO NCC[C@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000070148758 260152768 /nfs/dbraw/zinc/15/27/68/260152768.db2.gz ODCYCXGCNUMCMO-QGZVFWFLSA-N 1 3 268.404 3.543 10 0 CHAEHO CC(C)N(C)CCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221790271 262296912 /nfs/dbraw/zinc/29/69/12/262296912.db2.gz ULSJPSOYJNHICZ-CABCVRRESA-N 1 3 254.462 3.521 10 0 CHAEHO C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000517091677 333092672 /nfs/dbraw/zinc/09/26/72/333092672.db2.gz FOLLFCITQVLQIL-UAGQMJEPSA-N 1 3 274.452 3.752 10 0 CHAEHO C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CCCNC1 ZINC000517091677 333092673 /nfs/dbraw/zinc/09/26/73/333092673.db2.gz FOLLFCITQVLQIL-UAGQMJEPSA-N 1 3 274.452 3.752 10 0 CHAEHO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)N)cc1 ZINC000227024360 333273787 /nfs/dbraw/zinc/27/37/87/333273787.db2.gz WTRXIRWWFMDUKU-WMLDXEAASA-N 1 3 260.425 3.512 10 0 CHAEHO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)N)cc1 ZINC000227024360 333273788 /nfs/dbraw/zinc/27/37/88/333273788.db2.gz WTRXIRWWFMDUKU-WMLDXEAASA-N 1 3 260.425 3.512 10 0 CHAEHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840200 334396336 /nfs/dbraw/zinc/39/63/36/334396336.db2.gz BLUQLRQXWHBRED-QSPRXWTASA-N 1 3 292.854 3.850 10 0 CHAEHO CC[N@H+](Cc1cc(CNC(C)(C)C)oc1C)C(C)C ZINC000052447052 521290209 /nfs/dbraw/zinc/29/02/09/521290209.db2.gz NINIIMKCZXRMHR-UHFFFAOYSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[N@@H+](Cc1cc(CNC(C)(C)C)oc1C)C(C)C ZINC000052447052 521290220 /nfs/dbraw/zinc/29/02/20/521290220.db2.gz NINIIMKCZXRMHR-UHFFFAOYSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[C@H](C1CCCCC1)[N@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000052342495 522086598 /nfs/dbraw/zinc/08/65/98/522086598.db2.gz BWNWRNAXCOWPNM-HLLBOEOZSA-N 1 3 266.473 3.808 10 0 CHAEHO CC[C@H](C1CCCCC1)[N@@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000052342495 522086610 /nfs/dbraw/zinc/08/66/10/522086610.db2.gz BWNWRNAXCOWPNM-HLLBOEOZSA-N 1 3 266.473 3.808 10 0 CHAEHO CCCN(CCC)Cc1occc1C[NH2+]CC(C)C ZINC000052416737 521649301 /nfs/dbraw/zinc/64/93/01/521649301.db2.gz JIDYAZCBRYUAIT-UHFFFAOYSA-N 1 3 266.429 3.647 10 0 CHAEHO C[NH2+]Cc1ccccc1CN(C)[C@H](C)c1cccs1 ZINC000052506982 522133170 /nfs/dbraw/zinc/13/31/70/522133170.db2.gz DGJODFVJDDYANF-CYBMUJFWSA-N 1 3 274.433 3.661 10 0 CHAEHO CC[C@@](C)(C[NH2+]C(C)(C)C)CN1CCC(C)(C)CC1 ZINC000061822387 523640596 /nfs/dbraw/zinc/64/05/96/523640596.db2.gz GJDKBCCEQRBOBV-KRWDZBQOSA-N 1 3 268.489 3.913 10 0 CHAEHO C[C@@H](C[NH2+]Cc1ccccc1CN(C)C)c1ccccc1 ZINC000020128667 171015088 /nfs/dbraw/zinc/01/50/88/171015088.db2.gz FZMHDJXLDSLQKO-INIZCTEOSA-N 1 3 282.431 3.642 10 0 CHAEHO CC[C@H](C)C[C@](CC)(C[NH3+])N1CCc2ccccc2C1 ZINC000021814386 171331624 /nfs/dbraw/zinc/33/16/24/171331624.db2.gz HSSWDHIDKXJORU-MAUKXSAKSA-N 1 3 274.452 3.588 10 0 CHAEHO CC(C)[C@@H](NCCC[NH+]1CCCCC1)c1cccs1 ZINC000037229286 173048626 /nfs/dbraw/zinc/04/86/26/173048626.db2.gz ARMXQIOSEVJPSQ-MRXNPFEDSA-N 1 3 280.481 3.911 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000228073834 333294347 /nfs/dbraw/zinc/29/43/47/333294347.db2.gz OCDRWSUSDOTSGE-HZPDHXFCSA-N 1 3 288.479 3.770 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000228073834 333294348 /nfs/dbraw/zinc/29/43/48/333294348.db2.gz OCDRWSUSDOTSGE-HZPDHXFCSA-N 1 3 288.479 3.770 10 0 CHAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424352 334129289 /nfs/dbraw/zinc/12/92/89/334129289.db2.gz VTXFSNGSRWRDCW-UIDBIOKJSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424352 334129291 /nfs/dbraw/zinc/12/92/91/334129291.db2.gz VTXFSNGSRWRDCW-UIDBIOKJSA-N 1 3 266.473 3.508 10 0 CHAEHO CC(C)CNCC[C@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485106 519744135 /nfs/dbraw/zinc/74/41/35/519744135.db2.gz ZRDNFZSWOOUAEV-INIZCTEOSA-N 1 3 256.478 3.625 10 0 CHAEHO CC(C)CNC[C@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482014 519745881 /nfs/dbraw/zinc/74/58/81/519745881.db2.gz JLKYMULUXAGTQA-HNNXBMFYSA-N 1 3 254.462 3.523 10 0 CHAEHO CC(C)CNC[C@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482014 519745882 /nfs/dbraw/zinc/74/58/82/519745882.db2.gz JLKYMULUXAGTQA-HNNXBMFYSA-N 1 3 254.462 3.523 10 0 CHAEHO CC[C@H]([NH3+])[C@H](c1cccs1)N1CCC[C@H](C)[C@@H]1C ZINC000050563532 522347017 /nfs/dbraw/zinc/34/70/17/522347017.db2.gz FCOKUFQWJLOUPJ-PWNZVWSESA-N 1 3 266.454 3.647 10 0 CHAEHO CN(CCC[C@@H]1CCCC[NH2+]1)Cc1ccccc1Cl ZINC000050953072 522786529 /nfs/dbraw/zinc/78/65/29/522786529.db2.gz CINQISDKPAXABB-HNNXBMFYSA-N 1 3 280.843 3.694 10 0 CHAEHO CCN(CC)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000020556912 171250328 /nfs/dbraw/zinc/25/03/28/171250328.db2.gz YPKSAAHVHHPPCP-KRWDZBQOSA-N 1 3 276.468 3.994 10 0 CHAEHO [NH3+][C@H]1CCCCCCCCCC[C@H]1N1CCCC1 ZINC000021511250 171310571 /nfs/dbraw/zinc/31/05/71/171310571.db2.gz RJUMBKUDPZXRPG-JKSUJKDBSA-N 1 3 252.446 3.693 10 0 CHAEHO Cc1cc(NC[C@@H](C)[NH+]2CCCCC2)c2ccccc2n1 ZINC000038029282 174019181 /nfs/dbraw/zinc/01/91/81/174019181.db2.gz CIRAVBDQCKQMGC-OAHLLOKOSA-N 1 3 283.419 3.830 10 0 CHAEHO CC[C@@H](NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041817 174043692 /nfs/dbraw/zinc/04/36/92/174043692.db2.gz KGURAGARTCIECH-SJLPKXTDSA-N 1 3 274.452 3.849 10 0 CHAEHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000038041817 174043694 /nfs/dbraw/zinc/04/36/94/174043694.db2.gz KGURAGARTCIECH-SJLPKXTDSA-N 1 3 274.452 3.849 10 0 CHAEHO C[C@H](CN[C@@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041875 174044001 /nfs/dbraw/zinc/04/40/01/174044001.db2.gz XJFMPAJCQUBECA-VQIMIIECSA-N 1 3 286.463 3.776 10 0 CHAEHO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)CN1CCCCC1 ZINC000038041875 174044003 /nfs/dbraw/zinc/04/40/03/174044003.db2.gz XJFMPAJCQUBECA-VQIMIIECSA-N 1 3 286.463 3.776 10 0 CHAEHO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041868 174044385 /nfs/dbraw/zinc/04/43/85/174044385.db2.gz WOWXUNSHIWGPQS-JKSUJKDBSA-N 1 3 254.462 3.523 10 0 CHAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CCCC(C)C)C1 ZINC000038093579 174107400 /nfs/dbraw/zinc/10/74/00/174107400.db2.gz SPOUNXKJVPBDDH-CVEARBPZSA-N 1 3 254.462 3.523 10 0 CHAEHO C[C@@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1N ZINC000252684167 327025264 /nfs/dbraw/zinc/02/52/64/327025264.db2.gz GADBGPVIYYMZDA-PRLABOORSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1N ZINC000252684167 327025265 /nfs/dbraw/zinc/02/52/65/327025265.db2.gz GADBGPVIYYMZDA-PRLABOORSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H]1CN(CC2CCC(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000252684167 327025266 /nfs/dbraw/zinc/02/52/66/327025266.db2.gz GADBGPVIYYMZDA-PRLABOORSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H](N)[C@@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881324 334140557 /nfs/dbraw/zinc/14/05/57/334140557.db2.gz MHHJICGSBLADCB-JWMHWRSXSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H](N)[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881324 334140558 /nfs/dbraw/zinc/14/05/58/334140558.db2.gz MHHJICGSBLADCB-JWMHWRSXSA-N 1 3 266.473 3.508 10 0 CHAEHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000381894809 336076250 /nfs/dbraw/zinc/07/62/50/336076250.db2.gz FTETWKFSRSQAJN-OKYOBFRVSA-N 1 3 298.474 3.675 10 0 CHAEHO CC(C)NCc1occc1C[NH+]1CCCCCCC1 ZINC000052424960 519730202 /nfs/dbraw/zinc/73/02/02/519730202.db2.gz OHUFTCRQGVTVQF-UHFFFAOYSA-N 1 3 264.413 3.544 10 0 CHAEHO CCCN(Cc1occc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052448934 521696386 /nfs/dbraw/zinc/69/63/86/521696386.db2.gz FKMKMKJQHUZSFL-UHFFFAOYSA-N 1 3 264.413 3.542 10 0 CHAEHO CC[C@H]([NH3+])[C@@H](c1sccc1C)N1CCC(C)(C)CC1 ZINC000061818481 522341386 /nfs/dbraw/zinc/34/13/86/522341386.db2.gz VSDBSRNBNWPCMY-KBPBESRZSA-N 1 3 280.481 3.957 10 0 CHAEHO CC(C)CNCC[C@@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485104 519744270 /nfs/dbraw/zinc/74/42/70/519744270.db2.gz ZRDNFZSWOOUAEV-MRXNPFEDSA-N 1 3 256.478 3.625 10 0 CHAEHO Cc1oc(CN(C)CC(C)C)cc1C[NH2+]C(C)(C)C ZINC000052452582 526769859 /nfs/dbraw/zinc/76/98/59/526769859.db2.gz BADXTLSXLZEPTF-UHFFFAOYSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCN1CC[C@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000712032408 567836763 /nfs/dbraw/zinc/83/67/63/567836763.db2.gz OXVCIPZSQDDLGC-CKDBGZEDSA-N 1 3 266.473 3.795 10 0 CHAEHO CC[N@@H+]1CCC[C@H]1CNCc1cn(C(C)C)c2ccccc12 ZINC000057353479 567895068 /nfs/dbraw/zinc/89/50/68/567895068.db2.gz UACOWAKHXXFRTL-KRWDZBQOSA-N 1 3 299.462 3.796 10 0 CHAEHO CC[N@H+]1CCC[C@H]1CNCc1cn(C(C)C)c2ccccc12 ZINC000057353479 567895069 /nfs/dbraw/zinc/89/50/69/567895069.db2.gz UACOWAKHXXFRTL-KRWDZBQOSA-N 1 3 299.462 3.796 10 0 CHAEHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000038041822 174042971 /nfs/dbraw/zinc/04/29/71/174042971.db2.gz OTNYTRFWHQOIDR-YJBOKZPZSA-N 1 3 292.442 3.988 10 0 CHAEHO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc2ccccc21 ZINC000128458503 260375541 /nfs/dbraw/zinc/37/55/41/260375541.db2.gz ZZGQXSLMUDPIQN-SFHVURJKSA-N 1 3 270.420 3.645 10 0 CHAEHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1F ZINC000094955364 265278745 /nfs/dbraw/zinc/27/87/45/265278745.db2.gz JVRMJRNIYQRYIZ-ZBFHGGJFSA-N 1 3 278.415 3.659 10 0 CHAEHO C[C@@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1N ZINC000135296217 334124274 /nfs/dbraw/zinc/12/42/74/334124274.db2.gz GADBGPVIYYMZDA-LMPOIIKSSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1N ZINC000135296217 334124275 /nfs/dbraw/zinc/12/42/75/334124275.db2.gz GADBGPVIYYMZDA-LMPOIIKSSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H]1CN(CC2CCC(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000135296217 334124277 /nfs/dbraw/zinc/12/42/77/334124277.db2.gz GADBGPVIYYMZDA-LMPOIIKSSA-N 1 3 266.473 3.508 10 0 CHAEHO CC(C)(C)[NH2+]CCCCN(Cc1ccsc1)C1CC1 ZINC000052541919 518754680 /nfs/dbraw/zinc/75/46/80/518754680.db2.gz XONYVXRHFRTGBZ-UHFFFAOYSA-N 1 3 280.481 3.881 10 0 CHAEHO CC(C)CNCC[C@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345495 519744168 /nfs/dbraw/zinc/74/41/68/519744168.db2.gz MPXNBRKEAHVEEU-PCKAHOCUSA-N 1 3 254.462 3.521 10 0 CHAEHO CC(C)CNCC[C@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345495 519744169 /nfs/dbraw/zinc/74/41/69/519744169.db2.gz MPXNBRKEAHVEEU-PCKAHOCUSA-N 1 3 254.462 3.521 10 0 CHAEHO CCC[NH2+]Cc1ccoc1CN(C)[C@@H](C)CC(C)C ZINC000052571834 519960359 /nfs/dbraw/zinc/96/03/59/519960359.db2.gz MRNAIHJWFHJWJG-AWEZNQCLSA-N 1 3 266.429 3.646 10 0 CHAEHO CCNCc1ccccc1C[NH+]1CCCCCCC1 ZINC000052425121 520006194 /nfs/dbraw/zinc/00/61/94/520006194.db2.gz FGSUJRBPVBGHRL-UHFFFAOYSA-N 1 3 260.425 3.562 10 0 CHAEHO CC[N@H+]([C@H](C)CCNCC(C)C)C1CCCCC1 ZINC000052420178 521476720 /nfs/dbraw/zinc/47/67/20/521476720.db2.gz VJDCPONJDGJGCK-OAHLLOKOSA-N 1 3 254.462 3.665 10 0 CHAEHO CC[N@@H+]([C@H](C)CCNCC(C)C)C1CCCCC1 ZINC000052420178 521476724 /nfs/dbraw/zinc/47/67/24/521476724.db2.gz VJDCPONJDGJGCK-OAHLLOKOSA-N 1 3 254.462 3.665 10 0 CHAEHO CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CCC(C)(C)CC1 ZINC000061818484 522656208 /nfs/dbraw/zinc/65/62/08/522656208.db2.gz VSDBSRNBNWPCMY-ZIAGYGMSSA-N 1 3 280.481 3.957 10 0 CHAEHO C[C@@H](CCNC(C)(C)C)[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052514255 524496458 /nfs/dbraw/zinc/49/64/58/524496458.db2.gz NMODFROKYYEWTL-ILXRZTDVSA-N 1 3 254.462 3.664 10 0 CHAEHO C[C@@H](CCNC(C)(C)C)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052514255 524496463 /nfs/dbraw/zinc/49/64/63/524496463.db2.gz NMODFROKYYEWTL-ILXRZTDVSA-N 1 3 254.462 3.664 10 0 CHAEHO C[C@H](NCc1ccccc1C[NH+](C)C)c1cccs1 ZINC000020128619 171015149 /nfs/dbraw/zinc/01/51/49/171015149.db2.gz JFWYCDREPTZAOG-ZDUSSCGKSA-N 1 3 274.433 3.661 10 0 CHAEHO CN(C)Cc1ccccc1C[NH2+]C1CCCCCC1 ZINC000020128564 171015463 /nfs/dbraw/zinc/01/54/63/171015463.db2.gz IRRMCQGKOVFPPZ-UHFFFAOYSA-N 1 3 260.425 3.561 10 0 CHAEHO C[NH+](C)Cc1ccccc1CNCc1ccc(Cl)s1 ZINC000020128672 171015510 /nfs/dbraw/zinc/01/55/10/171015510.db2.gz GPBALXRIMZAFBX-UHFFFAOYSA-N 1 3 294.851 3.753 10 0 CHAEHO CCCCN(CCCC)Cc1cc(C[NH3+])ccc1F ZINC000020484620 171224674 /nfs/dbraw/zinc/22/46/74/171224674.db2.gz JQXBYFMPJHYSBV-UHFFFAOYSA-N 1 3 266.404 3.687 10 0 CHAEHO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000021500769 171304821 /nfs/dbraw/zinc/30/48/21/171304821.db2.gz JCSMDAODWUTVQV-HOTGVXAUSA-N 1 3 266.473 3.667 10 0 CHAEHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000038041820 174043446 /nfs/dbraw/zinc/04/34/46/174043446.db2.gz OTNYTRFWHQOIDR-QAPCUYQASA-N 1 3 292.442 3.988 10 0 CHAEHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(O)cc1 ZINC000038041680 174043648 /nfs/dbraw/zinc/04/36/48/174043648.db2.gz PZCLTCQBNDFLJN-QAPCUYQASA-N 1 3 290.451 3.555 10 0 CHAEHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000038041752 174043666 /nfs/dbraw/zinc/04/36/66/174043666.db2.gz RADDHTBCYBGGPR-DLBZAZTESA-N 1 3 274.452 3.768 10 0 CHAEHO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041866 174044105 /nfs/dbraw/zinc/04/41/05/174044105.db2.gz WOWXUNSHIWGPQS-HZPDHXFCSA-N 1 3 254.462 3.523 10 0 CHAEHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964086 330397417 /nfs/dbraw/zinc/39/74/17/330397417.db2.gz SZLJOOBDRCUGCN-JEBQAFNWSA-N 1 3 290.426 3.523 10 0 CHAEHO CC[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964086 330397418 /nfs/dbraw/zinc/39/74/18/330397418.db2.gz SZLJOOBDRCUGCN-JEBQAFNWSA-N 1 3 290.426 3.523 10 0 CHAEHO CNC[C@@H]1CCC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294372 334123967 /nfs/dbraw/zinc/12/39/67/334123967.db2.gz XJZAMMWIYDOBPS-CGZBRXJRSA-N 1 3 280.500 3.770 10 0 CHAEHO CNC[C@@H]1CCC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294372 334123968 /nfs/dbraw/zinc/12/39/68/334123968.db2.gz XJZAMMWIYDOBPS-CGZBRXJRSA-N 1 3 280.500 3.770 10 0 CHAEHO C[NH2+]C[C@@H]1CCCN(CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294372 334123969 /nfs/dbraw/zinc/12/39/69/334123969.db2.gz XJZAMMWIYDOBPS-CGZBRXJRSA-N 1 3 280.500 3.770 10 0 CHAEHO CCNCc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)oc1C ZINC000052504348 519986804 /nfs/dbraw/zinc/98/68/04/519986804.db2.gz OYDSJCMJUGXMLG-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)oc1C ZINC000052504348 519986811 /nfs/dbraw/zinc/98/68/11/519986811.db2.gz OYDSJCMJUGXMLG-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCCN(CC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052418729 520477671 /nfs/dbraw/zinc/47/76/71/520477671.db2.gz UPRKIEUZELBMTJ-UHFFFAOYSA-N 1 3 266.429 3.708 10 0 CHAEHO CN(CCCCC[NH2+]C(C)(C)C)Cc1ccsc1 ZINC000052457351 522731086 /nfs/dbraw/zinc/73/10/86/522731086.db2.gz PVSWDLPZBWJHMP-UHFFFAOYSA-N 1 3 268.470 3.738 10 0 CHAEHO C[NH+](C)Cc1ccccc1CNCc1cccc(Cl)c1 ZINC000020128645 171015152 /nfs/dbraw/zinc/01/51/52/171015152.db2.gz CSOAZHRMDPHYRJ-UHFFFAOYSA-N 1 3 288.822 3.691 10 0 CHAEHO C[NH+](C)CC(C)(C)CN[C@H]1CCCCc2ccccc21 ZINC000021029024 171291757 /nfs/dbraw/zinc/29/17/57/171291757.db2.gz WJSBUGDVWQXRIA-KRWDZBQOSA-N 1 3 274.452 3.632 10 0 CHAEHO CCN([C@@H](C[NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000021819078 171333862 /nfs/dbraw/zinc/33/38/62/171333862.db2.gz UKFBGJBFTXBYPC-INIZCTEOSA-N 1 3 280.843 3.994 10 0 CHAEHO CC1CCN(CCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000035163338 172024151 /nfs/dbraw/zinc/02/41/51/172024151.db2.gz VBKNSMXTHGXEHR-UHFFFAOYSA-N 1 3 290.495 3.523 10 0 CHAEHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000038041823 174042861 /nfs/dbraw/zinc/04/28/61/174042861.db2.gz OTNYTRFWHQOIDR-MAUKXSAKSA-N 1 3 292.442 3.988 10 0 CHAEHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(O)cc1 ZINC000038041683 174043404 /nfs/dbraw/zinc/04/34/04/174043404.db2.gz PZCLTCQBNDFLJN-MAUKXSAKSA-N 1 3 290.451 3.555 10 0 CHAEHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(F)cc1 ZINC000038041821 174043625 /nfs/dbraw/zinc/04/36/25/174043625.db2.gz OTNYTRFWHQOIDR-CRAIPNDOSA-N 1 3 292.442 3.988 10 0 CHAEHO [NH3+]CC[C@H]1CCCCN1Cc1ccc2ccccc2c1 ZINC000070148756 260152416 /nfs/dbraw/zinc/15/24/16/260152416.db2.gz FDDZQAASNUQMSL-GOSISDBHSA-N 1 3 268.404 3.543 10 0 CHAEHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1cccc(Cl)c1 ZINC000049856213 328380377 /nfs/dbraw/zinc/38/03/77/328380377.db2.gz CXKZMWZXURBDKU-BBRMVZONSA-N 1 3 280.843 3.865 10 0 CHAEHO CC[C@H]1CC[C@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459203 334171898 /nfs/dbraw/zinc/17/18/98/334171898.db2.gz PSCXLKQXHQADDZ-HOTGVXAUSA-N 1 3 266.473 3.809 10 0 CHAEHO CC(C)CNC[C@@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482013 519744595 /nfs/dbraw/zinc/74/45/95/519744595.db2.gz JLKYMULUXAGTQA-OAHLLOKOSA-N 1 3 254.462 3.523 10 0 CHAEHO CCC[N@H+](CC)Cc1c2ccccc2sc1CN ZINC000052448414 521613562 /nfs/dbraw/zinc/61/35/62/521613562.db2.gz SXPIWRHXQURJGI-UHFFFAOYSA-N 1 3 262.422 3.592 10 0 CHAEHO CCC[N@@H+](CC)Cc1c2ccccc2sc1CN ZINC000052448414 521613565 /nfs/dbraw/zinc/61/35/65/521613565.db2.gz SXPIWRHXQURJGI-UHFFFAOYSA-N 1 3 262.422 3.592 10 0 CHAEHO CC(C)CNC[C@@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482013 519744594 /nfs/dbraw/zinc/74/45/94/519744594.db2.gz JLKYMULUXAGTQA-OAHLLOKOSA-N 1 3 254.462 3.523 10 0 CHAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccsc2)C1 ZINC000061361148 521627370 /nfs/dbraw/zinc/62/73/70/521627370.db2.gz RBUJALNTLVDUCD-HZSPNIEDSA-N 1 3 266.454 3.519 10 0 CHAEHO CC[C@@](C)(CNC(C)(C)C)C[N@H+](CC1CC1)C(C)C ZINC000051259569 523640013 /nfs/dbraw/zinc/64/00/13/523640013.db2.gz FYTZPRYVDZHRCD-KRWDZBQOSA-N 1 3 268.489 3.911 10 0 CHAEHO CC[C@@](C)(CNC(C)(C)C)C[N@@H+](CC1CC1)C(C)C ZINC000051259569 523640021 /nfs/dbraw/zinc/64/00/21/523640021.db2.gz FYTZPRYVDZHRCD-KRWDZBQOSA-N 1 3 268.489 3.911 10 0 CHAEHO CC[NH+]1CCC([C@H](C)NCc2ccccc2Cl)CC1 ZINC000037209405 173030551 /nfs/dbraw/zinc/03/05/51/173030551.db2.gz KPRYXNOMISMPFG-ZDUSSCGKSA-N 1 3 280.843 3.550 10 0 CHAEHO C[NH2+]Cc1sc2ccccc2c1CN1CCCCC1 ZINC000045206364 175328535 /nfs/dbraw/zinc/32/85/35/175328535.db2.gz BWCPWSQIIDSQLA-UHFFFAOYSA-N 1 3 274.433 3.607 10 0 CHAEHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1F ZINC000094955367 265279364 /nfs/dbraw/zinc/27/93/64/265279364.db2.gz JVRMJRNIYQRYIZ-GOEBONIOSA-N 1 3 278.415 3.659 10 0 CHAEHO C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400726898 332719678 /nfs/dbraw/zinc/71/96/78/332719678.db2.gz PRFBHEAELHNUAW-NOLJZWGESA-N 1 3 278.415 3.501 10 0 CHAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252673838 334384774 /nfs/dbraw/zinc/38/47/74/334384774.db2.gz MSXQQNWEAYGVIE-UYTYNIKBSA-N 1 3 278.484 3.664 10 0 CHAEHO CC[C@@H](C)N(C)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052444060 522064989 /nfs/dbraw/zinc/06/49/89/522064989.db2.gz ACOBTNMKOQYMMF-GFCCVEGCSA-N 1 3 266.429 3.706 10 0 CHAEHO CC(C)NCc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)o1 ZINC000052504371 519726677 /nfs/dbraw/zinc/72/66/77/519726677.db2.gz XNCOEYYWAKNLRU-CYBMUJFWSA-N 1 3 266.429 3.644 10 0 CHAEHO CC(C)NCc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)o1 ZINC000052504371 519726679 /nfs/dbraw/zinc/72/66/79/519726679.db2.gz XNCOEYYWAKNLRU-CYBMUJFWSA-N 1 3 266.429 3.644 10 0 CHAEHO CCC1CCC([N@H+](C)C[C@@H](C)CNC(C)(C)C)CC1 ZINC000052345552 519853162 /nfs/dbraw/zinc/85/31/62/519853162.db2.gz URCHLGTYRZPFER-FHERZECASA-N 1 3 268.489 3.911 10 0 CHAEHO CCC1CCC([N@@H+](C)C[C@@H](C)CNC(C)(C)C)CC1 ZINC000052345552 519853164 /nfs/dbraw/zinc/85/31/64/519853164.db2.gz URCHLGTYRZPFER-FHERZECASA-N 1 3 268.489 3.911 10 0 CHAEHO CCC1CCC(N(C)C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052345552 519853165 /nfs/dbraw/zinc/85/31/65/519853165.db2.gz URCHLGTYRZPFER-FHERZECASA-N 1 3 268.489 3.911 10 0 CHAEHO CCC(CC)C[N@H+](CC)[C@H](C)CCNC(C)(C)C ZINC000052540760 521524102 /nfs/dbraw/zinc/52/41/02/521524102.db2.gz RQZAPRALYLFZLL-CQSZACIVSA-N 1 3 256.478 3.911 10 0 CHAEHO CCC(CC)C[N@@H+](CC)[C@H](C)CCNC(C)(C)C ZINC000052540760 521524108 /nfs/dbraw/zinc/52/41/08/521524108.db2.gz RQZAPRALYLFZLL-CQSZACIVSA-N 1 3 256.478 3.911 10 0 CHAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000052333097 521626709 /nfs/dbraw/zinc/62/67/09/521626709.db2.gz WDWJETFICSURHE-ZMSDIMECSA-N 1 3 266.473 3.665 10 0 CHAEHO CN(CCC[C@H]1CCCC[NH2+]1)Cc1ccc(Cl)s1 ZINC000050953320 522787300 /nfs/dbraw/zinc/78/73/00/522787300.db2.gz VDPFKCPFAINPCY-GFCCVEGCSA-N 1 3 286.872 3.756 10 0 CHAEHO CN(Cc1cc(C[NH2+]C(C)(C)C)co1)C1CCCC1 ZINC000052444884 523170432 /nfs/dbraw/zinc/17/04/32/523170432.db2.gz LNYRXUIUUIEGHW-UHFFFAOYSA-N 1 3 264.413 3.542 10 0 CHAEHO C[C@@H]1CCCCN1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162123 172022323 /nfs/dbraw/zinc/02/23/23/172022323.db2.gz DUQGJGFIZZPQGI-RLHPCVIISA-N 1 3 290.495 3.665 10 0 CHAEHO C[C@H](C[NH2+][C@H](C)CCc1ccccc1)CN1CCCCC1 ZINC000038041747 174043009 /nfs/dbraw/zinc/04/30/09/174043009.db2.gz GEGZBMDGOPSAPU-QZTJIDSGSA-N 1 3 288.479 3.719 10 0 CHAEHO CC(C)N(Cc1ccccc1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040431887 174260454 /nfs/dbraw/zinc/26/04/54/174260454.db2.gz HVMKFWTUIFKOBB-IRXDYDNUSA-N 1 3 260.425 3.557 10 0 CHAEHO CCN(CC[C@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000076565512 177039424 /nfs/dbraw/zinc/03/94/24/177039424.db2.gz BMJIWWJJMXCFCB-HXUWFJFHSA-N 1 3 294.442 3.786 10 0 CHAEHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221790203 262296693 /nfs/dbraw/zinc/29/66/93/262296693.db2.gz ULSJPSOYJNHICZ-HUUCEWRRSA-N 1 3 254.462 3.521 10 0 CHAEHO CCC[C@@H](NCC)[C@@H](CC)[NH+]1CCC(C)(C)CC1 ZINC000061819717 520770366 /nfs/dbraw/zinc/77/03/66/520770366.db2.gz SXXJSYLVEDWYKN-HUUCEWRRSA-N 1 3 254.462 3.665 10 0 CHAEHO CCCNCc1occc1C[N@H+](C)[C@H](C)CC(C)C ZINC000052571889 519972914 /nfs/dbraw/zinc/97/29/14/519972914.db2.gz BUCGUPBOHMQNMC-CQSZACIVSA-N 1 3 266.429 3.646 10 0 CHAEHO CCCNCc1occc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000052571889 519972920 /nfs/dbraw/zinc/97/29/20/519972920.db2.gz BUCGUPBOHMQNMC-CQSZACIVSA-N 1 3 266.429 3.646 10 0 CHAEHO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN(C)C1CC1 ZINC000054559742 520096966 /nfs/dbraw/zinc/09/69/66/520096966.db2.gz ASLVHXXBCZJJSI-UXLLHSPISA-N 1 3 266.473 3.521 10 0 CHAEHO CC[N@@H+](Cc1cc(CNC(C)(C)C)co1)CC(C)C ZINC000052449792 521290701 /nfs/dbraw/zinc/29/07/01/521290701.db2.gz GURJCSWZAAYMQD-UHFFFAOYSA-N 1 3 266.429 3.646 10 0 CHAEHO CC[N@H+](Cc1cc(CNC(C)(C)C)co1)CC(C)C ZINC000052449792 521290705 /nfs/dbraw/zinc/29/07/05/521290705.db2.gz GURJCSWZAAYMQD-UHFFFAOYSA-N 1 3 266.429 3.646 10 0 CHAEHO CCN(Cc1ccccc1)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052443839 521373474 /nfs/dbraw/zinc/37/34/74/521373474.db2.gz DXCPXYQQIQHMTA-OAHLLOKOSA-N 1 3 262.441 3.675 10 0 CHAEHO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N1CCC(C)(C)CC1 ZINC000061818482 522651142 /nfs/dbraw/zinc/65/11/42/522651142.db2.gz VSDBSRNBNWPCMY-KGLIPLIRSA-N 1 3 280.481 3.957 10 0 CHAEHO Cc1ccc(CN(C)[C@@H](C)CCC[NH2+]C(C)(C)C)o1 ZINC000052455850 524398045 /nfs/dbraw/zinc/39/80/45/524398045.db2.gz BBIAWZXVYUCKHM-ZDUSSCGKSA-N 1 3 266.429 3.577 10 0 CHAEHO CCCn1cc(CNC[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000057353486 567894821 /nfs/dbraw/zinc/89/48/21/567894821.db2.gz IPYSMMQHJQWOJY-KRWDZBQOSA-N 1 3 299.462 3.625 10 0 CHAEHO CCCn1cc(CNC[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000057353486 567894822 /nfs/dbraw/zinc/89/48/22/567894822.db2.gz IPYSMMQHJQWOJY-KRWDZBQOSA-N 1 3 299.462 3.625 10 0 CHAEHO CC[C@H](NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000020189465 171055407 /nfs/dbraw/zinc/05/54/07/171055407.db2.gz LGBZWFNKIBCJCL-AWEZNQCLSA-N 1 3 266.454 3.662 10 0 CHAEHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1CN(C)C ZINC000020562896 171252649 /nfs/dbraw/zinc/25/26/49/171252649.db2.gz PQDZVJUZQCEMQN-HUUCEWRRSA-N 1 3 274.452 3.663 10 0 CHAEHO CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCc2ccccc2C1 ZINC000021814384 171331658 /nfs/dbraw/zinc/33/16/58/171331658.db2.gz HSSWDHIDKXJORU-YJBOKZPZSA-N 1 3 274.452 3.588 10 0 CHAEHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(O)cc1 ZINC000038041682 174043223 /nfs/dbraw/zinc/04/32/23/174043223.db2.gz PZCLTCQBNDFLJN-YJBOKZPZSA-N 1 3 290.451 3.555 10 0 CHAEHO C[C@@H](CN[C@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041876 174044249 /nfs/dbraw/zinc/04/42/49/174044249.db2.gz XJFMPAJCQUBECA-LPHOPBHVSA-N 1 3 286.463 3.776 10 0 CHAEHO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)CN1CCCCC1 ZINC000038041876 174044251 /nfs/dbraw/zinc/04/42/51/174044251.db2.gz XJFMPAJCQUBECA-LPHOPBHVSA-N 1 3 286.463 3.776 10 0 CHAEHO C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000400508726 332712441 /nfs/dbraw/zinc/71/24/41/332712441.db2.gz KTUCOVVOELJKIH-LZWOXQAQSA-N 1 3 274.452 3.633 10 0 CHAEHO C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400726897 332719654 /nfs/dbraw/zinc/71/96/54/332719654.db2.gz PRFBHEAELHNUAW-JGGQBBKZSA-N 1 3 278.415 3.501 10 0 CHAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309812842 333049815 /nfs/dbraw/zinc/04/98/15/333049815.db2.gz XBDQHBHLTUUSJG-DSLXNQLJSA-N 1 3 286.463 3.533 10 0 CHAEHO CCCCC[N@H+](C[C@H](C)CNC(C)(C)C)C(C)C ZINC000052544755 520174589 /nfs/dbraw/zinc/17/45/89/520174589.db2.gz ODWIIUIHTDDPNI-OAHLLOKOSA-N 1 3 256.478 3.911 10 0 CHAEHO CCCCC[N@@H+](C[C@H](C)CNC(C)(C)C)C(C)C ZINC000052544755 520174594 /nfs/dbraw/zinc/17/45/94/520174594.db2.gz ODWIIUIHTDDPNI-OAHLLOKOSA-N 1 3 256.478 3.911 10 0 CHAEHO CCCC[N@H+](C[C@@H](C)CNC(C)(C)C)[C@@H](C)CC ZINC000052372615 520542008 /nfs/dbraw/zinc/54/20/08/520542008.db2.gz IJRZIPAHFUVZSD-GJZGRUSLSA-N 1 3 256.478 3.911 10 0 CHAEHO CCCC[N@@H+](C[C@@H](C)CNC(C)(C)C)[C@@H](C)CC ZINC000052372615 520542017 /nfs/dbraw/zinc/54/20/17/520542017.db2.gz IJRZIPAHFUVZSD-GJZGRUSLSA-N 1 3 256.478 3.911 10 0 CHAEHO CC(C)[NH2+]CC[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000052373727 519722012 /nfs/dbraw/zinc/72/20/12/519722012.db2.gz MLRFCTPWQKTYJT-CQSZACIVSA-N 1 3 254.462 3.521 10 0 CHAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC1CCCCC1 ZINC000054628368 519910999 /nfs/dbraw/zinc/91/09/99/519910999.db2.gz QJFPZANVKNOWAX-ALOPSCKCSA-N 1 3 264.457 3.562 10 0 CHAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC000054628368 519911003 /nfs/dbraw/zinc/91/10/03/519911003.db2.gz QJFPZANVKNOWAX-ALOPSCKCSA-N 1 3 264.457 3.562 10 0 CHAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC000054628368 519911007 /nfs/dbraw/zinc/91/10/07/519911007.db2.gz QJFPZANVKNOWAX-ALOPSCKCSA-N 1 3 264.457 3.562 10 0 CHAEHO CCCC[N@H+]([C@@H](C)CC)[C@@H](C)CCNCC(C)C ZINC000052372831 520552779 /nfs/dbraw/zinc/55/27/79/520552779.db2.gz LZKVEVBSBDSIIB-HOTGVXAUSA-N 1 3 256.478 3.911 10 0 CHAEHO CCCC[N@@H+]([C@@H](C)CC)[C@@H](C)CCNCC(C)C ZINC000052372831 520552781 /nfs/dbraw/zinc/55/27/81/520552781.db2.gz LZKVEVBSBDSIIB-HOTGVXAUSA-N 1 3 256.478 3.911 10 0 CHAEHO CCCC[N@H+]([C@H](C)CC)[C@@H](C)CCNCC(C)C ZINC000052372832 520552665 /nfs/dbraw/zinc/55/26/65/520552665.db2.gz LZKVEVBSBDSIIB-CVEARBPZSA-N 1 3 256.478 3.911 10 0 CHAEHO CCCC[N@@H+]([C@H](C)CC)[C@@H](C)CCNCC(C)C ZINC000052372832 520552669 /nfs/dbraw/zinc/55/26/69/520552669.db2.gz LZKVEVBSBDSIIB-CVEARBPZSA-N 1 3 256.478 3.911 10 0 CHAEHO CCC[C@@H](C)[N@H+](C)Cc1ccccc1CNC1CC1 ZINC000052480788 520645870 /nfs/dbraw/zinc/64/58/70/520645870.db2.gz VYOJGQQCLDCEAI-CQSZACIVSA-N 1 3 260.425 3.559 10 0 CHAEHO CCC[C@@H](C)[N@@H+](C)Cc1ccccc1CNC1CC1 ZINC000052480788 520645881 /nfs/dbraw/zinc/64/58/81/520645881.db2.gz VYOJGQQCLDCEAI-CQSZACIVSA-N 1 3 260.425 3.559 10 0 CHAEHO CC[C@@H](C)C[C@@](CC)(C[NH3+])N1CCc2ccccc2C1 ZINC000021814383 171331496 /nfs/dbraw/zinc/33/14/96/171331496.db2.gz HSSWDHIDKXJORU-QAPCUYQASA-N 1 3 274.452 3.588 10 0 CHAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CCC(C)C)C1 ZINC000037220345 173037656 /nfs/dbraw/zinc/03/76/56/173037656.db2.gz GFCRIEDZGKRUND-BBWFWOEESA-N 1 3 268.489 3.911 10 0 CHAEHO CCCC(CCC)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041625 174043066 /nfs/dbraw/zinc/04/30/66/174043066.db2.gz BRZUWGYPSSESAZ-OAHLLOKOSA-N 1 3 254.462 3.667 10 0 CHAEHO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc2ccccc2c1 ZINC000128488049 260374727 /nfs/dbraw/zinc/37/47/27/260374727.db2.gz AYYPCQBEENVURK-GOSISDBHSA-N 1 3 270.420 3.645 10 0 CHAEHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000049856226 328380235 /nfs/dbraw/zinc/38/02/35/328380235.db2.gz LGLQMRLJQQDCEN-CZUORRHYSA-N 1 3 280.843 3.865 10 0 CHAEHO CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309812854 333049971 /nfs/dbraw/zinc/04/99/71/333049971.db2.gz XBDQHBHLTUUSJG-JCHJZTRSSA-N 1 3 286.463 3.533 10 0 CHAEHO CCCNCc1ccoc1C[N@@H+]1CCCC[C@H]1CC ZINC000052447398 519957992 /nfs/dbraw/zinc/95/79/92/519957992.db2.gz VCFDBXJPHVDZBF-OAHLLOKOSA-N 1 3 264.413 3.544 10 0 CHAEHO CCCNCc1ccoc1C[N@H+]1CCCC[C@H]1CC ZINC000052447398 519958001 /nfs/dbraw/zinc/95/80/01/519958001.db2.gz VCFDBXJPHVDZBF-OAHLLOKOSA-N 1 3 264.413 3.544 10 0 CHAEHO CCC(CC)[N@H+](C)Cc1oc2ccccc2c1CN ZINC000052478147 521541774 /nfs/dbraw/zinc/54/17/74/521541774.db2.gz RZERRXJGROKOEC-UHFFFAOYSA-N 1 3 260.381 3.512 10 0 CHAEHO CCC(CC)[N@@H+](C)Cc1oc2ccccc2c1CN ZINC000052478147 521541783 /nfs/dbraw/zinc/54/17/83/521541783.db2.gz RZERRXJGROKOEC-UHFFFAOYSA-N 1 3 260.381 3.512 10 0 CHAEHO CC(C)c1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000111380489 519835776 /nfs/dbraw/zinc/83/57/76/519835776.db2.gz KRRMNXPMLLDGBW-KRWDZBQOSA-N 1 3 260.425 3.513 10 0 CHAEHO CCCC1CC[NH+]([C@H]2C[C@@H](CC)CC[C@@H]2CN)CC1 ZINC000050893148 519903344 /nfs/dbraw/zinc/90/33/44/519903344.db2.gz RPNCYEPEBGWPLD-UAGQMJEPSA-N 1 3 266.473 3.652 10 0 CHAEHO CCCC1CCN([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052374159 519903433 /nfs/dbraw/zinc/90/34/33/519903433.db2.gz MBAGSLPFVYLJLN-CQSZACIVSA-N 1 3 254.462 3.665 10 0 CHAEHO CCC[NH2+]Cc1coc(CN(C)[C@@H](C)C(C)(C)C)c1 ZINC000052504488 519965849 /nfs/dbraw/zinc/96/58/49/519965849.db2.gz JUPXFLODVPWDDX-ZDUSSCGKSA-N 1 3 266.429 3.646 10 0 CHAEHO CCNCc1cc(C[N@H+](C)[C@H](C)CC(C)C)c(C)o1 ZINC000052572073 519988385 /nfs/dbraw/zinc/98/83/85/519988385.db2.gz PYENAYGPVQGEBN-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1cc(C[N@@H+](C)[C@H](C)CC(C)C)c(C)o1 ZINC000052572073 519988391 /nfs/dbraw/zinc/98/83/91/519988391.db2.gz PYENAYGPVQGEBN-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCN(Cc1cc(C[NH2+]CC(C)C)c(C)o1)C(C)C ZINC000052446709 521288809 /nfs/dbraw/zinc/28/88/09/521288809.db2.gz MBDAFVIHKQFKSK-UHFFFAOYSA-N 1 3 266.429 3.564 10 0 CHAEHO CC[C@H](C)N(C)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052444061 523923053 /nfs/dbraw/zinc/92/30/53/523923053.db2.gz ACOBTNMKOQYMMF-LBPRGKRZSA-N 1 3 266.429 3.706 10 0 CHAEHO C[C@@H](CCNC(C)(C)C)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052514260 524497095 /nfs/dbraw/zinc/49/70/95/524497095.db2.gz NMODFROKYYEWTL-QLFBSQMISA-N 1 3 254.462 3.664 10 0 CHAEHO C[C@@H](CCNC(C)(C)C)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052514260 524497103 /nfs/dbraw/zinc/49/71/03/524497103.db2.gz NMODFROKYYEWTL-QLFBSQMISA-N 1 3 254.462 3.664 10 0 CHAEHO Cc1ccc(CNCc2ccccc2C[NH+](C)C)c(C)c1 ZINC000020128546 171015209 /nfs/dbraw/zinc/01/52/09/171015209.db2.gz VUIOXJOUBLFIPL-UHFFFAOYSA-N 1 3 282.431 3.655 10 0 CHAEHO C[C@H](NCc1ccccc1C[NH+](C)C)c1ccc(F)cc1 ZINC000020128624 171015380 /nfs/dbraw/zinc/01/53/80/171015380.db2.gz VTRUHHMZIARRJH-AWEZNQCLSA-N 1 3 286.394 3.738 10 0 CHAEHO CC(C)C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000020555569 171249786 /nfs/dbraw/zinc/24/97/86/171249786.db2.gz WFEMGUUVYKYUQL-QGZVFWFLSA-N 1 3 276.468 3.951 10 0 CHAEHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021506276 171307970 /nfs/dbraw/zinc/30/79/70/171307970.db2.gz XVCIWVUXVJBKHE-BRWVUGGUSA-N 1 3 268.489 3.769 10 0 CHAEHO CC[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000021518301 171314568 /nfs/dbraw/zinc/31/45/68/171314568.db2.gz KUWAPMXHHBRRHO-WMZOPIPTSA-N 1 3 274.452 3.992 10 0 CHAEHO CCN([C@H](C[NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000021819080 171333722 /nfs/dbraw/zinc/33/37/22/171333722.db2.gz UKFBGJBFTXBYPC-MRXNPFEDSA-N 1 3 280.843 3.994 10 0 CHAEHO C[C@H]1CCCCN1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162124 172022189 /nfs/dbraw/zinc/02/21/89/172022189.db2.gz DUQGJGFIZZPQGI-QWEMWOLJSA-N 1 3 290.495 3.665 10 0 CHAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CCC(C)C)C1 ZINC000037220347 173038225 /nfs/dbraw/zinc/03/82/25/173038225.db2.gz GFCRIEDZGKRUND-GVDBMIGSSA-N 1 3 268.489 3.911 10 0 CHAEHO CCCC[C@@H](CC)C[NH2+][C@@H](C)[C@@H]1CCCN(CC)C1 ZINC000037220524 173038877 /nfs/dbraw/zinc/03/88/77/173038877.db2.gz WXPZSIDKQXKICK-GVDBMIGSSA-N 1 3 268.489 3.913 10 0 CHAEHO NCC[C@@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000070148759 260152524 /nfs/dbraw/zinc/15/25/24/260152524.db2.gz ODCYCXGCNUMCMO-KRWDZBQOSA-N 1 3 268.404 3.543 10 0 CHAEHO NCC[C@@H]1CCCC[N@H+]1Cc1cccc2ccccc21 ZINC000070148759 260152525 /nfs/dbraw/zinc/15/25/25/260152525.db2.gz ODCYCXGCNUMCMO-KRWDZBQOSA-N 1 3 268.404 3.543 10 0 CHAEHO CC(C)Cc1ccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400526143 332712526 /nfs/dbraw/zinc/71/25/26/332712526.db2.gz QDIFHZBLGPGUAG-DAYGRLMNSA-N 1 3 274.452 3.534 10 0 CHAEHO C[C@H](N[C@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000517091678 333092602 /nfs/dbraw/zinc/09/26/02/333092602.db2.gz FOLLFCITQVLQIL-USXIJHARSA-N 1 3 274.452 3.752 10 0 CHAEHO C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@@H]1CCCNC1 ZINC000517091678 333092604 /nfs/dbraw/zinc/09/26/04/333092604.db2.gz FOLLFCITQVLQIL-USXIJHARSA-N 1 3 274.452 3.752 10 0 CHAEHO CC(C)(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252876457 334398245 /nfs/dbraw/zinc/39/82/45/334398245.db2.gz WGRMGIZYUSHIOQ-RYQLBKOJSA-N 1 3 286.463 3.543 10 0 CHAEHO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN(C)C1CC1 ZINC000054559743 520025045 /nfs/dbraw/zinc/02/50/45/520025045.db2.gz ASLVHXXBCZJJSI-BFYDXBDKSA-N 1 3 266.473 3.521 10 0 CHAEHO CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(CCC)C1 ZINC000050887324 521152956 /nfs/dbraw/zinc/15/29/56/521152956.db2.gz REZHNJXDHFTEIE-ARFHVFGLSA-N 1 3 254.462 3.665 10 0 CHAEHO CCC[NH+](CCC)Cc1ccc(CNC(C)(C)C)o1 ZINC000052416750 521648949 /nfs/dbraw/zinc/64/89/49/521648949.db2.gz AERXMLNZIZOACY-UHFFFAOYSA-N 1 3 266.429 3.790 10 0 CHAEHO CC(C)C[C@H](C)N(C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052571965 519311454 /nfs/dbraw/zinc/31/14/54/519311454.db2.gz VCXNKWFZAPUNLR-AWEZNQCLSA-N 1 3 266.429 3.644 10 0 CHAEHO CCCC[N@H+](C)Cc1c2ccccc2sc1CN ZINC000052417995 520421735 /nfs/dbraw/zinc/42/17/35/520421735.db2.gz MZHOJDRTQJMEAE-UHFFFAOYSA-N 1 3 262.422 3.592 10 0 CHAEHO CCCC[N@@H+](C)Cc1c2ccccc2sc1CN ZINC000052417995 520421741 /nfs/dbraw/zinc/42/17/41/520421741.db2.gz MZHOJDRTQJMEAE-UHFFFAOYSA-N 1 3 262.422 3.592 10 0 CHAEHO CCCC[C@@H](CC)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000062071039 521035295 /nfs/dbraw/zinc/03/52/95/521035295.db2.gz YYKLGTBATRUUTD-JKSUJKDBSA-N 1 3 254.462 3.524 10 0 CHAEHO CCC[N@H+](Cc1ccoc1CNC(C)(C)C)C(C)C ZINC000052450636 521692140 /nfs/dbraw/zinc/69/21/40/521692140.db2.gz LMOUCEGFUUULCY-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CCC[N@@H+](Cc1ccoc1CNC(C)(C)C)C(C)C ZINC000052450636 521692141 /nfs/dbraw/zinc/69/21/41/521692141.db2.gz LMOUCEGFUUULCY-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CC[C@H](C)C[C@](CC)(C[NH3+])N(C)Cc1ccccc1 ZINC000020556331 171249883 /nfs/dbraw/zinc/24/98/83/171249883.db2.gz GRJNOFZDHXXMNA-DOTOQJQBSA-N 1 3 262.441 3.662 10 0 CHAEHO C[C@@H](CCc1ccccc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000021010329 171286810 /nfs/dbraw/zinc/28/68/10/171286810.db2.gz LRQCXDVTYHKZGG-ROUUACIJSA-N 1 3 288.479 3.862 10 0 CHAEHO CC1CCN(CCC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021047891 171294588 /nfs/dbraw/zinc/29/45/88/171294588.db2.gz XFGJVNOJFUFHTE-IAGOWNOFSA-N 1 3 280.500 3.913 10 0 CHAEHO Cc1cc(C)c(C[NH2+]CCCN2CCC(C)CC2)c(C)c1 ZINC000021516746 171312899 /nfs/dbraw/zinc/31/28/99/171312899.db2.gz NWQJFBIFHHWFKD-UHFFFAOYSA-N 1 3 288.479 3.823 10 0 CHAEHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000021813440 171330948 /nfs/dbraw/zinc/33/09/48/171330948.db2.gz PLIPIFWONCVPSF-QFBILLFUSA-N 1 3 286.463 3.918 10 0 CHAEHO CC[C@H](C)C[C@H](CC)[NH2+]CCCN1CCC(C)CC1 ZINC000022147285 171357229 /nfs/dbraw/zinc/35/72/29/171357229.db2.gz VDOMPRYJOHVYHF-RDJZCZTQSA-N 1 3 268.489 3.913 10 0 CHAEHO CC(C)[C@H](NCCC[NH+]1CCCCC1)c1cccs1 ZINC000037229284 173048904 /nfs/dbraw/zinc/04/89/04/173048904.db2.gz ARMXQIOSEVJPSQ-INIZCTEOSA-N 1 3 280.481 3.911 10 0 CHAEHO CC(C)Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400526401 332712594 /nfs/dbraw/zinc/71/25/94/332712594.db2.gz QDIFHZBLGPGUAG-MPGHIAIKSA-N 1 3 274.452 3.534 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073976 333275598 /nfs/dbraw/zinc/27/55/98/333275598.db2.gz JMUZSJJLAYTFCM-YJBOKZPZSA-N 1 3 288.479 3.770 10 0 CHAEHO CC(C)[NH2+]CCCCCN1CCc2sccc2[C@@H]1C ZINC000052505552 519720557 /nfs/dbraw/zinc/72/05/57/519720557.db2.gz XFVNPOQJGSDKRM-AWEZNQCLSA-N 1 3 280.481 3.836 10 0 CHAEHO CCCCC[N@H+](C[C@@H](C)CNC(C)(C)C)C(C)C ZINC000052544754 520175299 /nfs/dbraw/zinc/17/52/99/520175299.db2.gz ODWIIUIHTDDPNI-HNNXBMFYSA-N 1 3 256.478 3.911 10 0 CHAEHO CCCCC[N@@H+](C[C@@H](C)CNC(C)(C)C)C(C)C ZINC000052544754 520175305 /nfs/dbraw/zinc/17/53/05/520175305.db2.gz ODWIIUIHTDDPNI-HNNXBMFYSA-N 1 3 256.478 3.911 10 0 CHAEHO CCN(Cc1ccccc1)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052443838 521374522 /nfs/dbraw/zinc/37/45/22/521374522.db2.gz DXCPXYQQIQHMTA-HNNXBMFYSA-N 1 3 262.441 3.675 10 0 CHAEHO CC[C@H]([NH3+])[C@H](c1sccc1C)N1CCC(C)(C)CC1 ZINC000061818483 522346700 /nfs/dbraw/zinc/34/67/00/522346700.db2.gz VSDBSRNBNWPCMY-UONOGXRCSA-N 1 3 280.481 3.957 10 0 CHAEHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529330 522691552 /nfs/dbraw/zinc/69/15/52/522691552.db2.gz RRQMZSLJLZZCED-MJBXVCDLSA-N 1 3 266.454 3.519 10 0 CHAEHO CC[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529330 522691563 /nfs/dbraw/zinc/69/15/63/522691563.db2.gz RRQMZSLJLZZCED-MJBXVCDLSA-N 1 3 266.454 3.519 10 0 CHAEHO CCC(C)(C)C1CCC2(CC1)[C@H]([NH3+])CCN2C(C)C ZINC000712012440 567836810 /nfs/dbraw/zinc/83/68/10/567836810.db2.gz NRLHFVAKPXFJQH-ISXOHVOVSA-N 1 3 266.473 3.793 10 0 CHAEHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000021500768 171304969 /nfs/dbraw/zinc/30/49/69/171304969.db2.gz JCSMDAODWUTVQV-CVEARBPZSA-N 1 3 266.473 3.667 10 0 CHAEHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000021517138 171313443 /nfs/dbraw/zinc/31/34/43/171313443.db2.gz KIMMUVXFBWZTQR-CHWSQXEVSA-N 1 3 266.473 3.710 10 0 CHAEHO CC[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000021518300 171314475 /nfs/dbraw/zinc/31/44/75/171314475.db2.gz KUWAPMXHHBRRHO-FUHWJXTLSA-N 1 3 274.452 3.992 10 0 CHAEHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220189 173037909 /nfs/dbraw/zinc/03/79/09/173037909.db2.gz KVYKLFJHDWFYKU-VNHYZAJKSA-N 1 3 280.843 3.721 10 0 CHAEHO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220189 173037910 /nfs/dbraw/zinc/03/79/10/173037910.db2.gz KVYKLFJHDWFYKU-VNHYZAJKSA-N 1 3 280.843 3.721 10 0 CHAEHO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041867 174044430 /nfs/dbraw/zinc/04/44/30/174044430.db2.gz WOWXUNSHIWGPQS-CVEARBPZSA-N 1 3 254.462 3.523 10 0 CHAEHO CC(C)(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228471392 262339161 /nfs/dbraw/zinc/33/91/61/262339161.db2.gz WGRMGIZYUSHIOQ-CGTJXYLNSA-N 1 3 286.463 3.543 10 0 CHAEHO C[C@@H](c1ccc2ccccc2c1)N(C)CC(C)(C)C[NH3+] ZINC000093873103 327145915 /nfs/dbraw/zinc/14/59/15/327145915.db2.gz SDDGSTUYRLYKRL-AWEZNQCLSA-N 1 3 270.420 3.818 10 0 CHAEHO C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CC(C)(C)CN ZINC000093873103 327145916 /nfs/dbraw/zinc/14/59/16/327145916.db2.gz SDDGSTUYRLYKRL-AWEZNQCLSA-N 1 3 270.420 3.818 10 0 CHAEHO C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)CN ZINC000093873103 327145918 /nfs/dbraw/zinc/14/59/18/327145918.db2.gz SDDGSTUYRLYKRL-AWEZNQCLSA-N 1 3 270.420 3.818 10 0 CHAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000106868970 330341463 /nfs/dbraw/zinc/34/14/63/330341463.db2.gz MSXQQNWEAYGVIE-DUQPFJRNSA-N 1 3 278.484 3.664 10 0 CHAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000252439318 334380164 /nfs/dbraw/zinc/38/01/64/334380164.db2.gz NBMVVSFIRNESEE-BZUAXINKSA-N 1 3 266.473 3.523 10 0 CHAEHO CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000252439320 334380235 /nfs/dbraw/zinc/38/02/35/334380235.db2.gz NBMVVSFIRNESEE-PMPSAXMXSA-N 1 3 266.473 3.523 10 0 CHAEHO CCNCc1occc1C[N@H+](CC)C1CCCCC1 ZINC000052420066 520030409 /nfs/dbraw/zinc/03/04/09/520030409.db2.gz GLVYGMQYMVAQKB-UHFFFAOYSA-N 1 3 264.413 3.544 10 0 CHAEHO CCNCc1occc1C[N@@H+](CC)C1CCCCC1 ZINC000052420066 520030420 /nfs/dbraw/zinc/03/04/20/520030420.db2.gz GLVYGMQYMVAQKB-UHFFFAOYSA-N 1 3 264.413 3.544 10 0 CHAEHO CC(C)CNCC[C@@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345496 519744240 /nfs/dbraw/zinc/74/42/40/519744240.db2.gz MPXNBRKEAHVEEU-HWOWSKLDSA-N 1 3 254.462 3.521 10 0 CHAEHO CC(C)CNCC[C@@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345496 519744241 /nfs/dbraw/zinc/74/42/41/519744241.db2.gz MPXNBRKEAHVEEU-HWOWSKLDSA-N 1 3 254.462 3.521 10 0 CHAEHO CCC1CCC([N@H+](C)C[C@H](C)CNC(C)(C)C)CC1 ZINC000052345553 519853479 /nfs/dbraw/zinc/85/34/79/519853479.db2.gz URCHLGTYRZPFER-QQFBHYJXSA-N 1 3 268.489 3.911 10 0 CHAEHO CCC1CCC([N@@H+](C)C[C@H](C)CNC(C)(C)C)CC1 ZINC000052345553 519853482 /nfs/dbraw/zinc/85/34/82/519853482.db2.gz URCHLGTYRZPFER-QQFBHYJXSA-N 1 3 268.489 3.911 10 0 CHAEHO CCC1CCC(N(C)C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052345553 519853484 /nfs/dbraw/zinc/85/34/84/519853484.db2.gz URCHLGTYRZPFER-QQFBHYJXSA-N 1 3 268.489 3.911 10 0 CHAEHO CCN(Cc1cc(C)c(C[NH2+]C(C)(C)C)o1)C(C)C ZINC000052447151 521287630 /nfs/dbraw/zinc/28/76/30/521287630.db2.gz MUSBHIPXDUUTJI-UHFFFAOYSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[C@H](C)[N@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052444111 523923389 /nfs/dbraw/zinc/92/33/89/523923389.db2.gz BJRHBYBXFDSVOH-JTQLQIEISA-N 1 3 280.412 3.729 10 0 CHAEHO CC[C@H](C)[N@@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052444111 523923391 /nfs/dbraw/zinc/92/33/91/523923391.db2.gz BJRHBYBXFDSVOH-JTQLQIEISA-N 1 3 280.412 3.729 10 0 CHAEHO CC(C)=CCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192318186 1125332875 /nfs/dbraw/zinc/33/28/75/1125332875.db2.gz FHYKNVYLLGLPKL-ZBFHGGJFSA-N 1 3 278.465 3.687 10 0 CHAEHO CC(C)=CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192318186 1125332878 /nfs/dbraw/zinc/33/28/78/1125332878.db2.gz FHYKNVYLLGLPKL-ZBFHGGJFSA-N 1 3 278.465 3.687 10 0 CHAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CC2(C)CCCC2)C1 ZINC000104447449 186006182 /nfs/dbraw/zinc/00/61/82/186006182.db2.gz KBNJIRPJEHOCCQ-HZPDHXFCSA-N 1 3 266.473 3.667 10 0 CHAEHO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N2CCc3ccccc3C2)C1 ZINC000020552829 171248395 /nfs/dbraw/zinc/24/83/95/171248395.db2.gz LNLOQXIKTZDOKA-KXBFYZLASA-N 1 3 286.463 3.588 10 0 CHAEHO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1N1CCCC1 ZINC000021511245 171310647 /nfs/dbraw/zinc/31/06/47/171310647.db2.gz RJUMBKUDPZXRPG-CVEARBPZSA-N 1 3 252.446 3.693 10 0 CHAEHO C[C@H]1CCC[C@H](C)C1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000021517140 171313454 /nfs/dbraw/zinc/31/34/54/171313454.db2.gz KIMMUVXFBWZTQR-STQMWFEESA-N 1 3 266.473 3.710 10 0 CHAEHO CC1CCN(CCC[NH2+]C2[C@H](C)CCC[C@@H]2C)CC1 ZINC000021817100 171332776 /nfs/dbraw/zinc/33/27/76/171332776.db2.gz AANWAIBBAHDBFU-SJPCQFCGSA-N 1 3 266.473 3.523 10 0 CHAEHO C[C@@H](CN)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000036677521 172651080 /nfs/dbraw/zinc/65/10/80/172651080.db2.gz CQAISSOLGJVVSM-AWEZNQCLSA-N 1 3 252.446 3.549 10 0 CHAEHO CC[C@H](NC[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041816 174042742 /nfs/dbraw/zinc/04/27/42/174042742.db2.gz KGURAGARTCIECH-AEFFLSMTSA-N 1 3 274.452 3.849 10 0 CHAEHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000038041816 174042745 /nfs/dbraw/zinc/04/27/45/174042745.db2.gz KGURAGARTCIECH-AEFFLSMTSA-N 1 3 274.452 3.849 10 0 CHAEHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424313 334129323 /nfs/dbraw/zinc/12/93/23/334129323.db2.gz VTXFSNGSRWRDCW-JWMHWRSXSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424313 334129324 /nfs/dbraw/zinc/12/93/24/334129324.db2.gz VTXFSNGSRWRDCW-JWMHWRSXSA-N 1 3 266.473 3.508 10 0 CHAEHO CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459207 334171952 /nfs/dbraw/zinc/17/19/52/334171952.db2.gz PSCXLKQXHQADDZ-HZPDHXFCSA-N 1 3 266.473 3.809 10 0 CHAEHO CC(C)CCN(C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052545904 519650527 /nfs/dbraw/zinc/65/05/27/519650527.db2.gz APCBUJJNLLOIRJ-UHFFFAOYSA-N 1 3 266.429 3.503 10 0 CHAEHO CC(C)CNCc1ccc(C[N@H+](C)[C@H](C)C(C)C)o1 ZINC000052478450 519747071 /nfs/dbraw/zinc/74/70/71/519747071.db2.gz CKIFFFLFPVSVCN-CQSZACIVSA-N 1 3 266.429 3.502 10 0 CHAEHO CC(C)CNCc1ccc(C[N@@H+](C)[C@H](C)C(C)C)o1 ZINC000052478450 519747073 /nfs/dbraw/zinc/74/70/73/519747073.db2.gz CKIFFFLFPVSVCN-CQSZACIVSA-N 1 3 266.429 3.502 10 0 CHAEHO CCCC1CC[NH+]([C@H]2C[C@H](CC)CC[C@@H]2CN)CC1 ZINC000050893146 519903618 /nfs/dbraw/zinc/90/36/18/519903618.db2.gz RPNCYEPEBGWPLD-OIISXLGYSA-N 1 3 266.473 3.652 10 0 CHAEHO CCCNCc1cc(C[N@H+](C)[C@H](C)C(C)C)oc1C ZINC000052478428 519945554 /nfs/dbraw/zinc/94/55/54/519945554.db2.gz CNFSOSVXMORTCT-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCNCc1cc(C[N@@H+](C)[C@H](C)C(C)C)oc1C ZINC000052478428 519945561 /nfs/dbraw/zinc/94/55/61/519945561.db2.gz CNFSOSVXMORTCT-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCC[NH+](CCCC)C[C@H]1CCC[C@@H]1NCC ZINC000053864858 520497219 /nfs/dbraw/zinc/49/72/19/520497219.db2.gz DFJWKKODHFXGSR-CVEARBPZSA-N 1 3 254.462 3.667 10 0 CHAEHO CCCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN(CCC)C1 ZINC000050887323 521011963 /nfs/dbraw/zinc/01/19/63/521011963.db2.gz REZHNJXDHFTEIE-BZUAXINKSA-N 1 3 254.462 3.665 10 0 CHAEHO CCC[C@H](NCC)[C@H](CC)[NH+]1CCC(C)(C)CC1 ZINC000061819718 521157429 /nfs/dbraw/zinc/15/74/29/521157429.db2.gz SXXJSYLVEDWYKN-GJZGRUSLSA-N 1 3 254.462 3.665 10 0 CHAEHO CCC(CC)C[N@H+](CC)C[C@@H](C)CNC(C)(C)C ZINC000052540631 521519703 /nfs/dbraw/zinc/51/97/03/521519703.db2.gz KEGZHOFXCOQUFU-AWEZNQCLSA-N 1 3 256.478 3.769 10 0 CHAEHO CCC(CC)C[N@@H+](CC)C[C@@H](C)CNC(C)(C)C ZINC000052540631 521519709 /nfs/dbraw/zinc/51/97/09/521519709.db2.gz KEGZHOFXCOQUFU-AWEZNQCLSA-N 1 3 256.478 3.769 10 0 CHAEHO CCC(CC)[N@H+](C)Cc1occc1CNC(C)(C)C ZINC000052478037 521542218 /nfs/dbraw/zinc/54/22/18/521542218.db2.gz RZFRIHPNTSHDMN-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CCC(CC)[N@@H+](C)Cc1occc1CNC(C)(C)C ZINC000052478037 521542225 /nfs/dbraw/zinc/54/22/25/521542225.db2.gz RZFRIHPNTSHDMN-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CCC(CC)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054559897 521542523 /nfs/dbraw/zinc/54/25/23/521542523.db2.gz BLFGQYRLWJFYLC-YCPHGPKFSA-N 1 3 254.462 3.506 10 0 CHAEHO CCC(CC)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054559897 521542529 /nfs/dbraw/zinc/54/25/29/521542529.db2.gz BLFGQYRLWJFYLC-YCPHGPKFSA-N 1 3 254.462 3.506 10 0 CHAEHO CN(CCC[C@@H]1CCCC[NH2+]1)Cc1ccc(Cl)s1 ZINC000050953317 522787002 /nfs/dbraw/zinc/78/70/02/522787002.db2.gz VDPFKCPFAINPCY-LBPRGKRZSA-N 1 3 286.872 3.756 10 0 CHAEHO CC(C)=CCNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192318181 1125332986 /nfs/dbraw/zinc/33/29/86/1125332986.db2.gz FHYKNVYLLGLPKL-HOCLYGCPSA-N 1 3 278.465 3.687 10 0 CHAEHO CC(C)=CCNC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192318181 1125332988 /nfs/dbraw/zinc/33/29/88/1125332988.db2.gz FHYKNVYLLGLPKL-HOCLYGCPSA-N 1 3 278.465 3.687 10 0 CHAEHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCN1CCCC[C@@H]1C ZINC000021818482 171333633 /nfs/dbraw/zinc/33/36/33/171333633.db2.gz OWNYPJGEJVWEOT-OAGGEKHMSA-N 1 3 266.473 3.665 10 0 CHAEHO CC[NH+]1CCC([C@@H](C)NCc2ccccc2Cl)CC1 ZINC000037209404 173030996 /nfs/dbraw/zinc/03/09/96/173030996.db2.gz KPRYXNOMISMPFG-CYBMUJFWSA-N 1 3 280.843 3.550 10 0 CHAEHO C[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220192 173038277 /nfs/dbraw/zinc/03/82/77/173038277.db2.gz KVYKLFJHDWFYKU-UMVBOHGHSA-N 1 3 280.843 3.721 10 0 CHAEHO C[C@@H](N[C@H](C)[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220192 173038278 /nfs/dbraw/zinc/03/82/78/173038278.db2.gz KVYKLFJHDWFYKU-UMVBOHGHSA-N 1 3 280.843 3.721 10 0 CHAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CCCC(C)C)C1 ZINC000038093580 174107450 /nfs/dbraw/zinc/10/74/50/174107450.db2.gz SPOUNXKJVPBDDH-HZPDHXFCSA-N 1 3 254.462 3.523 10 0 CHAEHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1F ZINC000094955366 265278809 /nfs/dbraw/zinc/27/88/09/265278809.db2.gz JVRMJRNIYQRYIZ-GDBMZVCRSA-N 1 3 278.415 3.659 10 0 CHAEHO CC(C)c1ccc([C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732242 327080483 /nfs/dbraw/zinc/08/04/83/327080483.db2.gz LFRLWFWYGVAEBZ-WMLDXEAASA-N 1 3 274.452 3.930 10 0 CHAEHO CC(C)c1ccc([C@@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732239 327080539 /nfs/dbraw/zinc/08/05/39/327080539.db2.gz LFRLWFWYGVAEBZ-PBHICJAKSA-N 1 3 274.452 3.930 10 0 CHAEHO C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400726895 332719687 /nfs/dbraw/zinc/71/96/87/332719687.db2.gz PRFBHEAELHNUAW-BJJXKVORSA-N 1 3 278.415 3.501 10 0 CHAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424333 334129367 /nfs/dbraw/zinc/12/93/67/334129367.db2.gz VTXFSNGSRWRDCW-CIDNJEQPSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424333 334129368 /nfs/dbraw/zinc/12/93/68/334129368.db2.gz VTXFSNGSRWRDCW-CIDNJEQPSA-N 1 3 266.473 3.508 10 0 CHAEHO CC(C)(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252842704 334396365 /nfs/dbraw/zinc/39/63/65/334396365.db2.gz CSPNJQHDAOWLED-QEJZJMRPSA-N 1 3 292.492 3.605 10 0 CHAEHO CCNCc1ccc(C[NH+](CC(C)C)CC(C)C)o1 ZINC000052484911 519996481 /nfs/dbraw/zinc/99/64/81/519996481.db2.gz BUHSEATZWRISDZ-UHFFFAOYSA-N 1 3 266.429 3.503 10 0 CHAEHO CCC(CC)[N@H+](C)Cc1ccccc1CNC1CC1 ZINC000052478243 521542027 /nfs/dbraw/zinc/54/20/27/521542027.db2.gz ZMABUZVFMZCXAW-UHFFFAOYSA-N 1 3 260.425 3.559 10 0 CHAEHO CCC(CC)[N@@H+](C)Cc1ccccc1CNC1CC1 ZINC000052478243 521542033 /nfs/dbraw/zinc/54/20/33/521542033.db2.gz ZMABUZVFMZCXAW-UHFFFAOYSA-N 1 3 260.425 3.559 10 0 CHAEHO CC[C@H](C)[N@H+](CC)Cc1cc(CNC(C)(C)C)co1 ZINC000052451348 523934922 /nfs/dbraw/zinc/93/49/22/523934922.db2.gz UILWTGOZEIBYLC-ZDUSSCGKSA-N 1 3 266.429 3.788 10 0 CHAEHO CC[C@H](C)[N@@H+](CC)Cc1cc(CNC(C)(C)C)co1 ZINC000052451348 523934925 /nfs/dbraw/zinc/93/49/25/523934925.db2.gz UILWTGOZEIBYLC-ZDUSSCGKSA-N 1 3 266.429 3.788 10 0 CHAEHO C[C@@H](C[NH2+]C(C)(C)C)CN1CCC(C(C)(C)C)CC1 ZINC000052373588 524734469 /nfs/dbraw/zinc/73/44/69/524734469.db2.gz XREMGRGJBGYMKO-AWEZNQCLSA-N 1 3 268.489 3.769 10 0 CHAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CC2(C)CCCC2)C1 ZINC000104447445 186006302 /nfs/dbraw/zinc/00/63/02/186006302.db2.gz KBNJIRPJEHOCCQ-CVEARBPZSA-N 1 3 266.473 3.667 10 0 CHAEHO C[C@H](NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000020128599 171015526 /nfs/dbraw/zinc/01/55/26/171015526.db2.gz HDNQXXGRDZXCJM-HNNXBMFYSA-N 1 3 268.404 3.599 10 0 CHAEHO CCN(CC)CCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021506278 171308032 /nfs/dbraw/zinc/30/80/32/171308032.db2.gz XVCIWVUXVJBKHE-ZACQAIPSSA-N 1 3 268.489 3.769 10 0 CHAEHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000021813439 171330941 /nfs/dbraw/zinc/33/09/41/171330941.db2.gz PLIPIFWONCVPSF-VQIMIIECSA-N 1 3 286.463 3.918 10 0 CHAEHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)cc1 ZINC000038041753 174043269 /nfs/dbraw/zinc/04/32/69/174043269.db2.gz RADDHTBCYBGGPR-IRXDYDNUSA-N 1 3 274.452 3.768 10 0 CHAEHO CN(CCC[C@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000071401691 176154114 /nfs/dbraw/zinc/15/41/14/176154114.db2.gz GGNNJMMUOYTFBI-INIZCTEOSA-N 1 3 274.433 3.660 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073965 333275660 /nfs/dbraw/zinc/27/56/60/333275660.db2.gz JMUZSJJLAYTFCM-MAUKXSAKSA-N 1 3 288.479 3.770 10 0 CHAEHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000381894221 336076264 /nfs/dbraw/zinc/07/62/64/336076264.db2.gz FTETWKFSRSQAJN-MANSERQUSA-N 1 3 298.474 3.675 10 0 CHAEHO CCCCC[N@H+](C)Cc1oc2ccccc2c1CN ZINC000052454826 520153421 /nfs/dbraw/zinc/15/34/21/520153421.db2.gz GDVWRTQVGNILRN-UHFFFAOYSA-N 1 3 260.381 3.514 10 0 CHAEHO CCCCC[N@@H+](C)Cc1oc2ccccc2c1CN ZINC000052454826 520153432 /nfs/dbraw/zinc/15/34/32/520153432.db2.gz GDVWRTQVGNILRN-UHFFFAOYSA-N 1 3 260.381 3.514 10 0 CHAEHO CCC(CC)C[N@H+](CC)[C@H](CNC)c1ccccc1 ZINC000052540750 521523952 /nfs/dbraw/zinc/52/39/52/521523952.db2.gz DUGSARUKGOXWPQ-QGZVFWFLSA-N 1 3 262.441 3.705 10 0 CHAEHO CCC(CC)C[N@@H+](CC)[C@H](CNC)c1ccccc1 ZINC000052540750 521523957 /nfs/dbraw/zinc/52/39/57/521523957.db2.gz DUGSARUKGOXWPQ-QGZVFWFLSA-N 1 3 262.441 3.705 10 0 CHAEHO CC(C)(C)c1ccc(C[N@@H+]2CCCNC(C)(C)C2)cc1 ZINC000062668338 519026868 /nfs/dbraw/zinc/02/68/68/519026868.db2.gz SNXIDHVVMIDAHB-UHFFFAOYSA-N 1 3 274.452 3.558 10 0 CHAEHO CC(C)(C)c1ccc(C[N@H+]2CCCNC(C)(C)C2)cc1 ZINC000062668338 519026876 /nfs/dbraw/zinc/02/68/76/519026876.db2.gz SNXIDHVVMIDAHB-UHFFFAOYSA-N 1 3 274.452 3.558 10 0 CHAEHO CCC[NH2+][C@H]1CCN([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340339 520094535 /nfs/dbraw/zinc/09/45/35/520094535.db2.gz GXRANKNCRSTYHH-ZOBUZTSGSA-N 1 3 266.473 3.665 10 0 CHAEHO CCCN[C@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340339 520094544 /nfs/dbraw/zinc/09/45/44/520094544.db2.gz GXRANKNCRSTYHH-ZOBUZTSGSA-N 1 3 266.473 3.665 10 0 CHAEHO CCCN[C@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340339 520094550 /nfs/dbraw/zinc/09/45/50/520094550.db2.gz GXRANKNCRSTYHH-ZOBUZTSGSA-N 1 3 266.473 3.665 10 0 CHAEHO CCCC[NH+](CCCC)Cc1cc(CNCC)co1 ZINC000052443600 520496505 /nfs/dbraw/zinc/49/65/05/520496505.db2.gz KOUVUDGOSFWEBU-UHFFFAOYSA-N 1 3 266.429 3.791 10 0 CHAEHO [NH3+]CC[C@@H]1CCCCN1Cc1ccc2ccccc2c1 ZINC000070148757 527191769 /nfs/dbraw/zinc/19/17/69/527191769.db2.gz FDDZQAASNUQMSL-SFHVURJKSA-N 1 3 268.404 3.543 10 0 CHAEHO C[C@@H](C[NH2+]C1CC(C)(C)NC(C)(C)C1)c1ccccc1 ZINC000020143450 171029018 /nfs/dbraw/zinc/02/90/18/171029018.db2.gz YNYYHPYJXJSTHG-AWEZNQCLSA-N 1 3 274.452 3.689 10 0 CHAEHO C[C@@H](CNC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000020143450 171029020 /nfs/dbraw/zinc/02/90/20/171029020.db2.gz YNYYHPYJXJSTHG-AWEZNQCLSA-N 1 3 274.452 3.689 10 0 CHAEHO CC[C@@H](C)C[C@](CC)(C[NH3+])N1CCc2ccccc2C1 ZINC000021814385 171331643 /nfs/dbraw/zinc/33/16/43/171331643.db2.gz HSSWDHIDKXJORU-CRAIPNDOSA-N 1 3 274.452 3.588 10 0 CHAEHO CC1CCN(CCC[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000021817098 171332793 /nfs/dbraw/zinc/33/27/93/171332793.db2.gz AANWAIBBAHDBFU-HOTGVXAUSA-N 1 3 266.473 3.523 10 0 CHAEHO CCC[C@@H]1CC[C@@H](CN)[C@H]([NH+](CCC)CCC)C1 ZINC000037157624 172991867 /nfs/dbraw/zinc/99/18/67/172991867.db2.gz DVFFANCAMKOXIG-OWCLPIDISA-N 1 3 254.462 3.652 10 0 CHAEHO CCCC(CCC)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041626 174043511 /nfs/dbraw/zinc/04/35/11/174043511.db2.gz BRZUWGYPSSESAZ-HNNXBMFYSA-N 1 3 254.462 3.667 10 0 CHAEHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000038041751 174043705 /nfs/dbraw/zinc/04/37/05/174043705.db2.gz RADDHTBCYBGGPR-SJORKVTESA-N 1 3 274.452 3.768 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000228073812 333294193 /nfs/dbraw/zinc/29/41/93/333294193.db2.gz OCDRWSUSDOTSGE-CVEARBPZSA-N 1 3 288.479 3.770 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000228073812 333294195 /nfs/dbraw/zinc/29/41/95/333294195.db2.gz OCDRWSUSDOTSGE-CVEARBPZSA-N 1 3 288.479 3.770 10 0 CHAEHO C[C@@H](N)[C@@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881359 334140606 /nfs/dbraw/zinc/14/06/06/334140606.db2.gz MHHJICGSBLADCB-YHNBSYBMSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881359 334140607 /nfs/dbraw/zinc/14/06/07/334140607.db2.gz MHHJICGSBLADCB-YHNBSYBMSA-N 1 3 266.473 3.508 10 0 CHAEHO CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000252439319 334380052 /nfs/dbraw/zinc/38/00/52/334380052.db2.gz NBMVVSFIRNESEE-OAGGEKHMSA-N 1 3 266.473 3.523 10 0 CHAEHO CC[C@@H](C)[N@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052444110 522063151 /nfs/dbraw/zinc/06/31/51/522063151.db2.gz BJRHBYBXFDSVOH-SNVBAGLBSA-N 1 3 280.412 3.729 10 0 CHAEHO CC[C@@H](C)[N@@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052444110 522063159 /nfs/dbraw/zinc/06/31/59/522063159.db2.gz BJRHBYBXFDSVOH-SNVBAGLBSA-N 1 3 280.412 3.729 10 0 CHAEHO CC(C)CNCc1ccc(C[N@H+](C)[C@@H](C)C(C)C)o1 ZINC000052478449 519747139 /nfs/dbraw/zinc/74/71/39/519747139.db2.gz CKIFFFLFPVSVCN-AWEZNQCLSA-N 1 3 266.429 3.502 10 0 CHAEHO CC(C)CNCc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)o1 ZINC000052478449 519747140 /nfs/dbraw/zinc/74/71/40/519747140.db2.gz CKIFFFLFPVSVCN-AWEZNQCLSA-N 1 3 266.429 3.502 10 0 CHAEHO CCCC1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2CN)CC1 ZINC000050893147 519903468 /nfs/dbraw/zinc/90/34/68/519903468.db2.gz RPNCYEPEBGWPLD-USXIJHARSA-N 1 3 266.473 3.652 10 0 CHAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](c1cccs1)C(C)C ZINC000054628791 521956586 /nfs/dbraw/zinc/95/65/86/521956586.db2.gz AAQCEXWHHPWCAN-NQKGRLOXSA-N 1 3 278.465 3.660 10 0 CHAEHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](c1cccs1)C(C)C ZINC000054628791 521956593 /nfs/dbraw/zinc/95/65/93/521956593.db2.gz AAQCEXWHHPWCAN-NQKGRLOXSA-N 1 3 278.465 3.660 10 0 CHAEHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](c1cccs1)C(C)C ZINC000054628791 521956597 /nfs/dbraw/zinc/95/65/97/521956597.db2.gz AAQCEXWHHPWCAN-NQKGRLOXSA-N 1 3 278.465 3.660 10 0 CHAEHO CC[C@@H](C)[N@H+](CC)Cc1cc(CNC(C)(C)C)co1 ZINC000052451346 522085378 /nfs/dbraw/zinc/08/53/78/522085378.db2.gz UILWTGOZEIBYLC-CYBMUJFWSA-N 1 3 266.429 3.788 10 0 CHAEHO CC[C@@H](C)[N@@H+](CC)Cc1cc(CNC(C)(C)C)co1 ZINC000052451346 522085381 /nfs/dbraw/zinc/08/53/81/522085381.db2.gz UILWTGOZEIBYLC-CYBMUJFWSA-N 1 3 266.429 3.788 10 0 CHAEHO C[C@H]1CCC[C@H](C)C1[NH2+]CCCN1CCCC[C@@H]1C ZINC000021818486 171333540 /nfs/dbraw/zinc/33/35/40/171333540.db2.gz OWNYPJGEJVWEOT-JYJNAYRXSA-N 1 3 266.473 3.665 10 0 CHAEHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474284 262338832 /nfs/dbraw/zinc/33/88/32/262338832.db2.gz BLUQLRQXWHBRED-RKTXRCNFSA-N 1 3 292.854 3.850 10 0 CHAEHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1cccc(Cl)c1 ZINC000049856216 328380353 /nfs/dbraw/zinc/38/03/53/328380353.db2.gz CXKZMWZXURBDKU-XJKSGUPXSA-N 1 3 280.843 3.865 10 0 CHAEHO C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000400508730 332712453 /nfs/dbraw/zinc/71/24/53/332712453.db2.gz KTUCOVVOELJKIH-SQWLQELKSA-N 1 3 274.452 3.633 10 0 CHAEHO CC[C@H](c1ccc(F)cc1)N(C)CC[C@@H]([NH3+])C(C)C ZINC000226430953 333260790 /nfs/dbraw/zinc/26/07/90/333260790.db2.gz RHSBGVCUHUOVGA-HZPDHXFCSA-N 1 3 266.404 3.582 10 0 CHAEHO CC(C)NC[C@H](C(C)C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482190 519724219 /nfs/dbraw/zinc/72/42/19/519724219.db2.gz PXOCKUINDVAIAB-GVDBMIGSSA-N 1 3 266.473 3.521 10 0 CHAEHO CC(C)NC[C@H](C(C)C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482190 519724220 /nfs/dbraw/zinc/72/42/20/519724220.db2.gz PXOCKUINDVAIAB-GVDBMIGSSA-N 1 3 266.473 3.521 10 0 CHAEHO CCCNCc1ccoc1C[N@@H+]1CCCC[C@@H]1CC ZINC000052447396 519958953 /nfs/dbraw/zinc/95/89/53/519958953.db2.gz VCFDBXJPHVDZBF-HNNXBMFYSA-N 1 3 264.413 3.544 10 0 CHAEHO CCCNCc1ccoc1C[N@H+]1CCCC[C@@H]1CC ZINC000052447396 519958960 /nfs/dbraw/zinc/95/89/60/519958960.db2.gz VCFDBXJPHVDZBF-HNNXBMFYSA-N 1 3 264.413 3.544 10 0 CHAEHO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN(C)C1CC1 ZINC000054559744 520095509 /nfs/dbraw/zinc/09/55/09/520095509.db2.gz ASLVHXXBCZJJSI-INMHGKMJSA-N 1 3 266.473 3.521 10 0 CHAEHO CCCCCN(C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052454690 520151447 /nfs/dbraw/zinc/15/14/47/520151447.db2.gz MFYRZAPLRGACAJ-UHFFFAOYSA-N 1 3 266.429 3.790 10 0 CHAEHO c1ccc(CN2CCC3(CC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000095937483 185034505 /nfs/dbraw/zinc/03/45/05/185034505.db2.gz MOGHSFLJXIBNPX-UHFFFAOYSA-N 1 3 284.447 3.527 10 0 CHAEHO c1ccc(CN2CCC3(CC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000095937483 185034507 /nfs/dbraw/zinc/03/45/07/185034507.db2.gz MOGHSFLJXIBNPX-UHFFFAOYSA-N 1 3 284.447 3.527 10 0 CHAEHO CCN(CC)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000020556914 171250189 /nfs/dbraw/zinc/25/01/89/171250189.db2.gz YPKSAAHVHHPPCP-QGZVFWFLSA-N 1 3 276.468 3.994 10 0 CHAEHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220188 173038240 /nfs/dbraw/zinc/03/82/40/173038240.db2.gz KVYKLFJHDWFYKU-KCQAQPDRSA-N 1 3 280.843 3.721 10 0 CHAEHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220188 173038241 /nfs/dbraw/zinc/03/82/41/173038241.db2.gz KVYKLFJHDWFYKU-KCQAQPDRSA-N 1 3 280.843 3.721 10 0 CHAEHO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)CN1CCCCC1 ZINC000038041748 174042807 /nfs/dbraw/zinc/04/28/07/174042807.db2.gz GEGZBMDGOPSAPU-ROUUACIJSA-N 1 3 288.479 3.719 10 0 CHAEHO C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041749 174043671 /nfs/dbraw/zinc/04/36/71/174043671.db2.gz GEGZBMDGOPSAPU-ZWKOTPCHSA-N 1 3 288.479 3.719 10 0 CHAEHO C[C@H](CN[C@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041877 174044354 /nfs/dbraw/zinc/04/43/54/174044354.db2.gz XJFMPAJCQUBECA-APWZRJJASA-N 1 3 286.463 3.776 10 0 CHAEHO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)CN1CCCCC1 ZINC000038041877 174044355 /nfs/dbraw/zinc/04/43/55/174044355.db2.gz XJFMPAJCQUBECA-APWZRJJASA-N 1 3 286.463 3.776 10 0 CHAEHO CCCC[NH+](CCCC)Cc1ccc(F)cc1CN ZINC000071250145 176094893 /nfs/dbraw/zinc/09/48/93/176094893.db2.gz MQPBLYLSEZBQND-UHFFFAOYSA-N 1 3 266.404 3.687 10 0 CHAEHO C[C@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1N ZINC000252684168 327025321 /nfs/dbraw/zinc/02/53/21/327025321.db2.gz GADBGPVIYYMZDA-SLTXQBBLSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1N ZINC000252684168 327025323 /nfs/dbraw/zinc/02/53/23/327025323.db2.gz GADBGPVIYYMZDA-SLTXQBBLSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H]1CN(CC2CCC(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000252684168 327025324 /nfs/dbraw/zinc/02/53/24/327025324.db2.gz GADBGPVIYYMZDA-SLTXQBBLSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)CN1CCCC1 ZINC000057994359 330380347 /nfs/dbraw/zinc/38/03/47/330380347.db2.gz APROOFNKCOEAMI-BZUAXINKSA-N 1 3 266.473 3.523 10 0 CHAEHO C[C@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1N ZINC000135296233 334124142 /nfs/dbraw/zinc/12/41/42/334124142.db2.gz GADBGPVIYYMZDA-LBDPXKHJSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1N ZINC000135296233 334124143 /nfs/dbraw/zinc/12/41/43/334124143.db2.gz GADBGPVIYYMZDA-LBDPXKHJSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H]1CN(CC2CCC(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000135296233 334124144 /nfs/dbraw/zinc/12/41/44/334124144.db2.gz GADBGPVIYYMZDA-LBDPXKHJSA-N 1 3 266.473 3.508 10 0 CHAEHO CC[C@H]1CC[C@@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459209 334171978 /nfs/dbraw/zinc/17/19/78/334171978.db2.gz PSCXLKQXHQADDZ-JKSUJKDBSA-N 1 3 266.473 3.809 10 0 CHAEHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840199 334396388 /nfs/dbraw/zinc/39/63/88/334396388.db2.gz BLUQLRQXWHBRED-QMCVQRASSA-N 1 3 292.854 3.850 10 0 CHAEHO CC(C)NCc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)o1 ZINC000052504370 519726537 /nfs/dbraw/zinc/72/65/37/519726537.db2.gz XNCOEYYWAKNLRU-ZDUSSCGKSA-N 1 3 266.429 3.644 10 0 CHAEHO CCCNCc1oc(C[N@H+](CCC)C(C)C)cc1C ZINC000052450705 519972196 /nfs/dbraw/zinc/97/21/96/519972196.db2.gz WOLKCORVDGHRCB-UHFFFAOYSA-N 1 3 266.429 3.708 10 0 CHAEHO CCCNCc1oc(C[N@@H+](CCC)C(C)C)cc1C ZINC000052450705 519972205 /nfs/dbraw/zinc/97/22/05/519972205.db2.gz WOLKCORVDGHRCB-UHFFFAOYSA-N 1 3 266.429 3.708 10 0 CHAEHO CCNCc1oc(C[N@H+](C)[C@H](C)CC(C)C)cc1C ZINC000052572175 520027319 /nfs/dbraw/zinc/02/73/19/520027319.db2.gz XSPKMLSDRUCKOT-CQSZACIVSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1oc(C[N@@H+](C)[C@H](C)CC(C)C)cc1C ZINC000052572175 520027325 /nfs/dbraw/zinc/02/73/25/520027325.db2.gz XSPKMLSDRUCKOT-CQSZACIVSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCC[N@H+](CC)Cc1oc2ccccc2c1CN ZINC000052418791 520477955 /nfs/dbraw/zinc/47/79/55/520477955.db2.gz XORJVFHSBQUFIW-UHFFFAOYSA-N 1 3 260.381 3.514 10 0 CHAEHO CCCC[N@@H+](CC)Cc1oc2ccccc2c1CN ZINC000052418791 520477962 /nfs/dbraw/zinc/47/79/62/520477962.db2.gz XORJVFHSBQUFIW-UHFFFAOYSA-N 1 3 260.381 3.514 10 0 CHAEHO CCC[C@H](C)[N@H+](C)Cc1ccccc1CNC1CC1 ZINC000052480789 521035706 /nfs/dbraw/zinc/03/57/06/521035706.db2.gz VYOJGQQCLDCEAI-AWEZNQCLSA-N 1 3 260.425 3.559 10 0 CHAEHO CCC[C@H](C)[N@@H+](C)Cc1ccccc1CNC1CC1 ZINC000052480789 521035714 /nfs/dbraw/zinc/03/57/14/521035714.db2.gz VYOJGQQCLDCEAI-AWEZNQCLSA-N 1 3 260.425 3.559 10 0 CHAEHO CCCN(CC)Cc1cc(C[NH2+]CC(C)C)oc1C ZINC000052448583 521613146 /nfs/dbraw/zinc/61/31/46/521613146.db2.gz NBFVHQIJHCWKTD-UHFFFAOYSA-N 1 3 266.429 3.566 10 0 CHAEHO CC(C)NCc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)o1 ZINC000052504370 519726536 /nfs/dbraw/zinc/72/65/36/519726536.db2.gz XNCOEYYWAKNLRU-ZDUSSCGKSA-N 1 3 266.429 3.644 10 0 CHAEHO CCC[NH2+][C@@H]1CCN([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340336 520022941 /nfs/dbraw/zinc/02/29/41/520022941.db2.gz GXRANKNCRSTYHH-YQQAZPJKSA-N 1 3 266.473 3.665 10 0 CHAEHO CCCN[C@@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340336 520022945 /nfs/dbraw/zinc/02/29/45/520022945.db2.gz GXRANKNCRSTYHH-YQQAZPJKSA-N 1 3 266.473 3.665 10 0 CHAEHO CCCN[C@@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340336 520022950 /nfs/dbraw/zinc/02/29/50/520022950.db2.gz GXRANKNCRSTYHH-YQQAZPJKSA-N 1 3 266.473 3.665 10 0 CHAEHO CCNCc1oc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1C ZINC000052504634 520028888 /nfs/dbraw/zinc/02/88/88/520028888.db2.gz BQXRXSNOMNVXJO-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1oc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1C ZINC000052504634 520028892 /nfs/dbraw/zinc/02/88/92/520028892.db2.gz BQXRXSNOMNVXJO-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCCCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(NCC)C2 ZINC000054628976 520127474 /nfs/dbraw/zinc/12/74/74/520127474.db2.gz SVHOPSPUAZHCMR-XYTVBORESA-N 1 3 266.473 3.950 10 0 CHAEHO CCCCCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(NCC)C2 ZINC000054628976 520127479 /nfs/dbraw/zinc/12/74/79/520127479.db2.gz SVHOPSPUAZHCMR-XYTVBORESA-N 1 3 266.473 3.950 10 0 CHAEHO CCCCCC[C@H](C)N1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628976 520127485 /nfs/dbraw/zinc/12/74/85/520127485.db2.gz SVHOPSPUAZHCMR-XYTVBORESA-N 1 3 266.473 3.950 10 0 CHAEHO CCN(CC)Cc1c(C[NH2+]C)sc2cccc(F)c21 ZINC000052378158 520741592 /nfs/dbraw/zinc/74/15/92/520741592.db2.gz ZLNGCTXNRVHQNO-UHFFFAOYSA-N 1 3 280.412 3.602 10 0 CHAEHO CC[C@H](C)CN(C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052453967 523869572 /nfs/dbraw/zinc/86/95/72/523869572.db2.gz FYZGVPBIFHRRPY-ZDUSSCGKSA-N 1 3 266.429 3.646 10 0 CHAEHO C[C@@H](CNC(C)(C)C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546588 524734544 /nfs/dbraw/zinc/73/45/44/524734544.db2.gz DHCJNKHIAANMAP-SOUVJXGZSA-N 1 3 254.462 3.521 10 0 CHAEHO C[C@@H](CNC(C)(C)C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546588 524734557 /nfs/dbraw/zinc/73/45/57/524734557.db2.gz DHCJNKHIAANMAP-SOUVJXGZSA-N 1 3 254.462 3.521 10 0 CHAEHO C[NH+](C)Cc1ccccc1CNCc1ccc(Cl)cc1 ZINC000020128550 171015764 /nfs/dbraw/zinc/01/57/64/171015764.db2.gz WAMQSMXCGPUUOR-UHFFFAOYSA-N 1 3 288.822 3.691 10 0 CHAEHO CCCCN(CCCC)Cc1ccc(C[NH3+])cc1F ZINC000020484623 171224435 /nfs/dbraw/zinc/22/44/35/171224435.db2.gz SLRTVSXPWXYRRT-UHFFFAOYSA-N 1 3 266.404 3.687 10 0 CHAEHO C[C@@H]1CCC[C@H](C)C1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000021517139 171313200 /nfs/dbraw/zinc/31/32/00/171313200.db2.gz KIMMUVXFBWZTQR-NNQSOWQGSA-N 1 3 266.473 3.710 10 0 CHAEHO CC1CCN(CCC[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000021817101 171333053 /nfs/dbraw/zinc/33/30/53/171333053.db2.gz AANWAIBBAHDBFU-HZPDHXFCSA-N 1 3 266.473 3.523 10 0 CHAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)C1 ZINC000037221137 173040244 /nfs/dbraw/zinc/04/02/44/173040244.db2.gz CNCHTYCGIPRQBT-BBWFWOEESA-N 1 3 268.489 3.911 10 0 CHAEHO C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)CN1CCCC1 ZINC000057994350 330380280 /nfs/dbraw/zinc/38/02/80/330380280.db2.gz APROOFNKCOEAMI-OAGGEKHMSA-N 1 3 266.473 3.523 10 0 CHAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252673836 334384970 /nfs/dbraw/zinc/38/49/70/334384970.db2.gz MSXQQNWEAYGVIE-CWQOZTLDSA-N 1 3 278.484 3.664 10 0 CHAEHO CC(C)[NH2+]CC[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000052373729 519722304 /nfs/dbraw/zinc/72/23/04/519722304.db2.gz MLRFCTPWQKTYJT-AWEZNQCLSA-N 1 3 254.462 3.521 10 0 CHAEHO CCCC[N@H+](C[C@H](C)CNC(C)(C)C)[C@@H](C)CC ZINC000052372616 520540789 /nfs/dbraw/zinc/54/07/89/520540789.db2.gz IJRZIPAHFUVZSD-CABCVRRESA-N 1 3 256.478 3.911 10 0 CHAEHO CCCC[N@@H+](C[C@H](C)CNC(C)(C)C)[C@@H](C)CC ZINC000052372616 520540794 /nfs/dbraw/zinc/54/07/94/520540794.db2.gz IJRZIPAHFUVZSD-CABCVRRESA-N 1 3 256.478 3.911 10 0 CHAEHO CCC(CC)C[N@H+](CC)C[C@H](C)CNC(C)(C)C ZINC000052540632 521519778 /nfs/dbraw/zinc/51/97/78/521519778.db2.gz KEGZHOFXCOQUFU-CQSZACIVSA-N 1 3 256.478 3.769 10 0 CHAEHO CCC(CC)C[N@@H+](CC)C[C@H](C)CNC(C)(C)C ZINC000052540632 521519788 /nfs/dbraw/zinc/51/97/88/521519788.db2.gz KEGZHOFXCOQUFU-CQSZACIVSA-N 1 3 256.478 3.769 10 0 CHAEHO CN(Cc1cc(C[NH2+]C(C)(C)C)co1)CC(C)(C)C ZINC000052570144 523170796 /nfs/dbraw/zinc/17/07/96/523170796.db2.gz OFIQSACUUNSADZ-UHFFFAOYSA-N 1 3 266.429 3.646 10 0 CHAEHO CC[N@@H+]1CCC[C@@H]1CNCc1cn(C(C)C)c2ccccc12 ZINC000057353478 567894987 /nfs/dbraw/zinc/89/49/87/567894987.db2.gz UACOWAKHXXFRTL-QGZVFWFLSA-N 1 3 299.462 3.796 10 0 CHAEHO CC[N@H+]1CCC[C@@H]1CNCc1cn(C(C)C)c2ccccc12 ZINC000057353478 567894989 /nfs/dbraw/zinc/89/49/89/567894989.db2.gz UACOWAKHXXFRTL-QGZVFWFLSA-N 1 3 299.462 3.796 10 0 CHAEHO C[C@H](C[NH2+]Cc1ccccc1CN(C)C)c1ccccc1 ZINC000020128668 171015213 /nfs/dbraw/zinc/01/52/13/171015213.db2.gz FZMHDJXLDSLQKO-MRXNPFEDSA-N 1 3 282.431 3.642 10 0 CHAEHO CCc1ccc(CNCc2ccccc2C[NH+](C)C)cc1 ZINC000020128560 171015398 /nfs/dbraw/zinc/01/53/98/171015398.db2.gz XLZKKFLPKOLRCP-UHFFFAOYSA-N 1 3 282.431 3.600 10 0 CHAEHO CC1(C)CC([NH2+]CCCc2ccccc2)CC(C)(C)N1 ZINC000020143457 171028906 /nfs/dbraw/zinc/02/89/06/171028906.db2.gz MDPZPHPKYNFQOV-UHFFFAOYSA-N 1 3 274.452 3.518 10 0 CHAEHO CC1(C)CC(NCCCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000020143457 171028908 /nfs/dbraw/zinc/02/89/08/171028908.db2.gz MDPZPHPKYNFQOV-UHFFFAOYSA-N 1 3 274.452 3.518 10 0 CHAEHO CC[C@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041818 174042841 /nfs/dbraw/zinc/04/28/41/174042841.db2.gz KGURAGARTCIECH-WMZOPIPTSA-N 1 3 274.452 3.849 10 0 CHAEHO CC[C@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000038041818 174042843 /nfs/dbraw/zinc/04/28/43/174042843.db2.gz KGURAGARTCIECH-WMZOPIPTSA-N 1 3 274.452 3.849 10 0 CHAEHO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)CN1CCCCC1 ZINC000038041746 174043508 /nfs/dbraw/zinc/04/35/08/174043508.db2.gz GEGZBMDGOPSAPU-MSOLQXFVSA-N 1 3 288.479 3.719 10 0 CHAEHO CN(CCC[C@@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000071401692 176153845 /nfs/dbraw/zinc/15/38/45/176153845.db2.gz GGNNJMMUOYTFBI-MRXNPFEDSA-N 1 3 274.433 3.660 10 0 CHAEHO CCN(CC[C@@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000076565515 177038953 /nfs/dbraw/zinc/03/89/53/177038953.db2.gz BMJIWWJJMXCFCB-FQEVSTJZSA-N 1 3 294.442 3.786 10 0 CHAEHO C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400726896 332719681 /nfs/dbraw/zinc/71/96/81/332719681.db2.gz PRFBHEAELHNUAW-DUVNUKRYSA-N 1 3 278.415 3.501 10 0 CHAEHO CC[C@@H](NC1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000020189462 171055511 /nfs/dbraw/zinc/05/55/11/171055511.db2.gz LGBZWFNKIBCJCL-CQSZACIVSA-N 1 3 266.454 3.662 10 0 CHAEHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCCC1)c1ccc(O)cc1 ZINC000038041681 174043550 /nfs/dbraw/zinc/04/35/50/174043550.db2.gz PZCLTCQBNDFLJN-CRAIPNDOSA-N 1 3 290.451 3.555 10 0 CHAEHO CC[C@@H]1CC[C@H]([NH2+]CCCN(C)C2CCCCC2)C1 ZINC000080459197 334171879 /nfs/dbraw/zinc/17/18/79/334171879.db2.gz PSCXLKQXHQADDZ-CVEARBPZSA-N 1 3 266.473 3.809 10 0 CHAEHO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000382085358 336081450 /nfs/dbraw/zinc/08/14/50/336081450.db2.gz XEYVHZBVXNYHFH-GDAAHCPNSA-N 1 3 286.463 3.531 10 0 CHAEHO CCC[NH2+]Cc1ccoc1CN(C)[C@H](C)CC(C)C ZINC000052571835 519959970 /nfs/dbraw/zinc/95/99/70/519959970.db2.gz MRNAIHJWFHJWJG-CQSZACIVSA-N 1 3 266.429 3.646 10 0 CHAEHO CCC[C@@H](C)N(C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052480702 520645914 /nfs/dbraw/zinc/64/59/14/520645914.db2.gz OWRDBMNWFFUNNO-CYBMUJFWSA-N 1 3 266.429 3.788 10 0 CHAEHO CCC[N@H+](Cc1occc1CNC(C)(C)C)C(C)C ZINC000052450262 521696748 /nfs/dbraw/zinc/69/67/48/521696748.db2.gz XOIZWFWLZHMTQR-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CCC[N@@H+](Cc1occc1CNC(C)(C)C)C(C)C ZINC000052450262 521696749 /nfs/dbraw/zinc/69/67/49/521696749.db2.gz XOIZWFWLZHMTQR-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CC[C@@H](C)[N@H+](CC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052451662 522085414 /nfs/dbraw/zinc/08/54/14/522085414.db2.gz LQAQMMWDZLIESA-CQSZACIVSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[C@@H](C)[N@@H+](CC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052451662 522085424 /nfs/dbraw/zinc/08/54/24/522085424.db2.gz LQAQMMWDZLIESA-CQSZACIVSA-N 1 3 266.429 3.706 10 0 CHAEHO C[NH2+]Cc1ccccc1CN(C)[C@@H](C)c1cccs1 ZINC000052506980 522132935 /nfs/dbraw/zinc/13/29/35/522132935.db2.gz DGJODFVJDDYANF-ZDUSSCGKSA-N 1 3 274.433 3.661 10 0 CHAEHO C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000035206596 172050893 /nfs/dbraw/zinc/05/08/93/172050893.db2.gz SETWJSQSYNMRTJ-YESZJQIVSA-N 1 3 274.452 3.661 10 0 CHAEHO C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000035206596 172050894 /nfs/dbraw/zinc/05/08/94/172050894.db2.gz SETWJSQSYNMRTJ-YESZJQIVSA-N 1 3 274.452 3.661 10 0 CHAEHO CC(C)CC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041869 174044222 /nfs/dbraw/zinc/04/42/22/174044222.db2.gz WOWXUNSHIWGPQS-HOTGVXAUSA-N 1 3 254.462 3.523 10 0 CHAEHO CCCCC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041889 174044519 /nfs/dbraw/zinc/04/45/19/174044519.db2.gz LMHSYPKTBKGCGR-HOTGVXAUSA-N 1 3 254.462 3.667 10 0 CHAEHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000049856223 328380370 /nfs/dbraw/zinc/38/03/70/328380370.db2.gz LGLQMRLJQQDCEN-XJKSGUPXSA-N 1 3 280.843 3.865 10 0 CHAEHO C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)CN1CCCC1 ZINC000057994360 330380335 /nfs/dbraw/zinc/38/03/35/330380335.db2.gz APROOFNKCOEAMI-ARFHVFGLSA-N 1 3 266.473 3.523 10 0 CHAEHO CNC[C@H]1CCC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294344 334123950 /nfs/dbraw/zinc/12/39/50/334123950.db2.gz XJZAMMWIYDOBPS-AQFXKWCLSA-N 1 3 280.500 3.770 10 0 CHAEHO CNC[C@H]1CCC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294344 334123951 /nfs/dbraw/zinc/12/39/51/334123951.db2.gz XJZAMMWIYDOBPS-AQFXKWCLSA-N 1 3 280.500 3.770 10 0 CHAEHO C[NH2+]C[C@H]1CCCN(CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294344 334123953 /nfs/dbraw/zinc/12/39/53/334123953.db2.gz XJZAMMWIYDOBPS-AQFXKWCLSA-N 1 3 280.500 3.770 10 0 CHAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252673837 334384945 /nfs/dbraw/zinc/38/49/45/334384945.db2.gz MSXQQNWEAYGVIE-DISONHOPSA-N 1 3 278.484 3.664 10 0 CHAEHO CC(C)(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252842702 334396444 /nfs/dbraw/zinc/39/64/44/334396444.db2.gz CSPNJQHDAOWLED-AEGPPILISA-N 1 3 292.492 3.605 10 0 CHAEHO CCNCc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)c(C)o1 ZINC000052504580 519986516 /nfs/dbraw/zinc/98/65/16/519986516.db2.gz QOEARGOVBGLBNW-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c(C)o1 ZINC000052504580 519986524 /nfs/dbraw/zinc/98/65/24/519986524.db2.gz QOEARGOVBGLBNW-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCCN(CC)Cc1occc1C[NH2+]CC(C)C ZINC000052418725 520477989 /nfs/dbraw/zinc/47/79/89/520477989.db2.gz LXHGMAFTFHLCIF-UHFFFAOYSA-N 1 3 266.429 3.647 10 0 CHAEHO CCC[C@H](C)N(C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052480703 521035536 /nfs/dbraw/zinc/03/55/36/521035536.db2.gz OWRDBMNWFFUNNO-ZDUSSCGKSA-N 1 3 266.429 3.788 10 0 CHAEHO CC(C)c1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000111380487 519835837 /nfs/dbraw/zinc/83/58/37/519835837.db2.gz KRRMNXPMLLDGBW-QGZVFWFLSA-N 1 3 260.425 3.513 10 0 CHAEHO C[C@@H](NCc1ccccc1C[NH+](C)C)c1ccc(F)cc1 ZINC000020128623 171015743 /nfs/dbraw/zinc/01/57/43/171015743.db2.gz VTRUHHMZIARRJH-CQSZACIVSA-N 1 3 286.394 3.738 10 0 CHAEHO CC[C@@H](C)C[C@@](CC)(C[NH3+])N(C)Cc1ccccc1 ZINC000020556326 171249817 /nfs/dbraw/zinc/24/98/17/171249817.db2.gz GRJNOFZDHXXMNA-WBVHZDCISA-N 1 3 262.441 3.662 10 0 CHAEHO CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)Cc1ccccc1 ZINC000020556329 171249864 /nfs/dbraw/zinc/24/98/64/171249864.db2.gz GRJNOFZDHXXMNA-NVXWUHKLSA-N 1 3 262.441 3.662 10 0 CHAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)C1 ZINC000037221138 173040263 /nfs/dbraw/zinc/04/02/63/173040263.db2.gz CNCHTYCGIPRQBT-GVDBMIGSSA-N 1 3 268.489 3.911 10 0 CHAEHO CC(C)[C@H]([NH3+])CCN(C)Cc1cccc2ccccc21 ZINC000128458274 260375384 /nfs/dbraw/zinc/37/53/84/260375384.db2.gz ZZGQXSLMUDPIQN-GOSISDBHSA-N 1 3 270.420 3.645 10 0 CHAEHO CC(C)c1ccc([C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732241 327080522 /nfs/dbraw/zinc/08/05/22/327080522.db2.gz LFRLWFWYGVAEBZ-RHSMWYFYSA-N 1 3 274.452 3.930 10 0 CHAEHO C[C@@H](N)[C@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881438 334140495 /nfs/dbraw/zinc/14/04/95/334140495.db2.gz MHHJICGSBLADCB-CIDNJEQPSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H](N)[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881438 334140497 /nfs/dbraw/zinc/14/04/97/334140497.db2.gz MHHJICGSBLADCB-CIDNJEQPSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H](N)[C@H]1CC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881395 334140536 /nfs/dbraw/zinc/14/05/36/334140536.db2.gz MHHJICGSBLADCB-UIDBIOKJSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@H](N)[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881395 334140537 /nfs/dbraw/zinc/14/05/37/334140537.db2.gz MHHJICGSBLADCB-UIDBIOKJSA-N 1 3 266.473 3.508 10 0 CHAEHO CC(C)(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252876458 334398292 /nfs/dbraw/zinc/39/82/92/334398292.db2.gz WGRMGIZYUSHIOQ-SZMVWBNQSA-N 1 3 286.463 3.543 10 0 CHAEHO CC(C)C[N@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052452630 519708945 /nfs/dbraw/zinc/70/89/45/519708945.db2.gz AIZYHVYJUMNJTF-UHFFFAOYSA-N 1 3 280.412 3.587 10 0 CHAEHO CC(C)C[N@@H+](C)Cc1c(CN)sc2cccc(F)c21 ZINC000052452630 519708948 /nfs/dbraw/zinc/70/89/48/519708948.db2.gz AIZYHVYJUMNJTF-UHFFFAOYSA-N 1 3 280.412 3.587 10 0 CHAEHO CCC[NH2+]Cc1ccoc1CN(C)[C@H](C)C(C)(C)C ZINC000052504333 519959132 /nfs/dbraw/zinc/95/91/32/519959132.db2.gz DXFBUUSSYSVPSP-CYBMUJFWSA-N 1 3 266.429 3.646 10 0 CHAEHO CCCNCc1occc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000052571888 519973947 /nfs/dbraw/zinc/97/39/47/519973947.db2.gz BUCGUPBOHMQNMC-AWEZNQCLSA-N 1 3 266.429 3.646 10 0 CHAEHO CCCNCc1occc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000052571888 519973953 /nfs/dbraw/zinc/97/39/53/519973953.db2.gz BUCGUPBOHMQNMC-AWEZNQCLSA-N 1 3 266.429 3.646 10 0 CHAEHO CCCN(CCC)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052416815 521649147 /nfs/dbraw/zinc/64/91/47/521649147.db2.gz HNGBXIBMHMNPDN-UHFFFAOYSA-N 1 3 266.429 3.647 10 0 CHAEHO CC(C)(C)[NH2+]CCCCCN1CCc2sccc2C1 ZINC000052416579 518755523 /nfs/dbraw/zinc/75/55/23/518755523.db2.gz CKDUFWIHPQDENA-UHFFFAOYSA-N 1 3 280.481 3.665 10 0 CHAEHO CC(C)[C@@H](C)[N@H+](C)Cc1c2ccccc2sc1CN ZINC000052478537 519791149 /nfs/dbraw/zinc/79/11/49/519791149.db2.gz LXNQGQNQIZHCHS-GFCCVEGCSA-N 1 3 276.449 3.836 10 0 CHAEHO CC(C)[C@@H](C)[N@@H+](C)Cc1c2ccccc2sc1CN ZINC000052478537 519791150 /nfs/dbraw/zinc/79/11/50/519791150.db2.gz LXNQGQNQIZHCHS-GFCCVEGCSA-N 1 3 276.449 3.836 10 0 CHAEHO CCNCc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)oc1C ZINC000052504347 519988188 /nfs/dbraw/zinc/98/81/88/519988188.db2.gz OYDSJCMJUGXMLG-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)oc1C ZINC000052504347 519988190 /nfs/dbraw/zinc/98/81/90/519988190.db2.gz OYDSJCMJUGXMLG-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1oc(C[N@H+](C)[C@@H](C)CC(C)C)cc1C ZINC000052572173 520027568 /nfs/dbraw/zinc/02/75/68/520027568.db2.gz XSPKMLSDRUCKOT-AWEZNQCLSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1oc(C[N@@H+](C)[C@@H](C)CC(C)C)cc1C ZINC000052572173 520027571 /nfs/dbraw/zinc/02/75/71/520027571.db2.gz XSPKMLSDRUCKOT-AWEZNQCLSA-N 1 3 266.429 3.564 10 0 CHAEHO CCC[N@H+](Cc1cc(CNC(C)C)oc1C)C(C)C ZINC000052450608 521681029 /nfs/dbraw/zinc/68/10/29/521681029.db2.gz DZLBUIUPKCEYQB-UHFFFAOYSA-N 1 3 266.429 3.706 10 0 CHAEHO CCC[N@@H+](Cc1cc(CNC(C)C)oc1C)C(C)C ZINC000052450608 521681030 /nfs/dbraw/zinc/68/10/30/521681030.db2.gz DZLBUIUPKCEYQB-UHFFFAOYSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1cccs1 ZINC000049529398 522728025 /nfs/dbraw/zinc/72/80/25/522728025.db2.gz MVSAZKWSWUPUMP-XDQVBPFNSA-N 1 3 266.454 3.518 10 0 CHAEHO CC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccs1 ZINC000049529398 522728033 /nfs/dbraw/zinc/72/80/33/522728033.db2.gz MVSAZKWSWUPUMP-XDQVBPFNSA-N 1 3 266.454 3.518 10 0 CHAEHO [NH3+]CCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000029047176 567917001 /nfs/dbraw/zinc/91/70/01/567917001.db2.gz KBHOEIHLPXNPQK-UHFFFAOYSA-N 1 3 283.419 3.655 10 0 CHAEHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)cc1 ZINC000038041750 174043600 /nfs/dbraw/zinc/04/36/00/174043600.db2.gz RADDHTBCYBGGPR-IAGOWNOFSA-N 1 3 274.452 3.768 10 0 CHAEHO CCCCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041886 174044351 /nfs/dbraw/zinc/04/43/51/174044351.db2.gz LMHSYPKTBKGCGR-HZPDHXFCSA-N 1 3 254.462 3.667 10 0 CHAEHO CC(C)c1ccc([C@H](C)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732244 327080504 /nfs/dbraw/zinc/08/05/04/327080504.db2.gz LFRLWFWYGVAEBZ-YOEHRIQHSA-N 1 3 274.452 3.930 10 0 CHAEHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000381894807 336076170 /nfs/dbraw/zinc/07/61/70/336076170.db2.gz FTETWKFSRSQAJN-MKXGPGLRSA-N 1 3 298.474 3.675 10 0 CHAEHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000381894220 336076193 /nfs/dbraw/zinc/07/61/93/336076193.db2.gz FTETWKFSRSQAJN-HCXYKTFWSA-N 1 3 298.474 3.675 10 0 CHAEHO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000382085362 336081474 /nfs/dbraw/zinc/08/14/74/336081474.db2.gz XEYVHZBVXNYHFH-JCHJZTRSSA-N 1 3 286.463 3.531 10 0 CHAEHO CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000382085364 336081517 /nfs/dbraw/zinc/08/15/17/336081517.db2.gz XEYVHZBVXNYHFH-WZGPROSRSA-N 1 3 286.463 3.531 10 0 CHAEHO CCCCCN(C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052454962 520151105 /nfs/dbraw/zinc/15/11/05/520151105.db2.gz SHPBQWQOONCGQT-UHFFFAOYSA-N 1 3 266.429 3.790 10 0 CHAEHO CCC[N@H+](Cc1ccc(CNC(C)(C)C)o1)C(C)C ZINC000052450296 521683904 /nfs/dbraw/zinc/68/39/04/521683904.db2.gz NLVIMUCOTRITTP-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CCC[N@@H+](Cc1ccc(CNC(C)(C)C)o1)C(C)C ZINC000052450296 521683907 /nfs/dbraw/zinc/68/39/07/521683907.db2.gz NLVIMUCOTRITTP-UHFFFAOYSA-N 1 3 266.429 3.788 10 0 CHAEHO CCCNCc1cc(C[N@H+](C)[C@@H](C)C(C)C)c(C)o1 ZINC000052478641 519946319 /nfs/dbraw/zinc/94/63/19/519946319.db2.gz RMHYHUPSBDDAKF-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCNCc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c(C)o1 ZINC000052478641 519946326 /nfs/dbraw/zinc/94/63/26/519946326.db2.gz RMHYHUPSBDDAKF-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCC(CC)(CNC)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000051251822 521440928 /nfs/dbraw/zinc/44/09/28/521440928.db2.gz XIIUXXQMCNTBKC-LSDHHAIUSA-N 1 3 254.462 3.523 10 0 CHAEHO CCC(CC)(CNC)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000051251822 521440935 /nfs/dbraw/zinc/44/09/35/521440935.db2.gz XIIUXXQMCNTBKC-LSDHHAIUSA-N 1 3 254.462 3.523 10 0 CHAEHO CCC(CC)C[N@H+](CC)[C@@H](CNC)c1ccccc1 ZINC000052540749 521523270 /nfs/dbraw/zinc/52/32/70/521523270.db2.gz DUGSARUKGOXWPQ-KRWDZBQOSA-N 1 3 262.441 3.705 10 0 CHAEHO CCC(CC)C[N@@H+](CC)[C@@H](CNC)c1ccccc1 ZINC000052540749 521523282 /nfs/dbraw/zinc/52/32/82/521523282.db2.gz DUGSARUKGOXWPQ-KRWDZBQOSA-N 1 3 262.441 3.705 10 0 CHAEHO C[C@H](C[NH2+]C(C)(C)C)CN1CCC(C(C)(C)C)CC1 ZINC000052373589 524476123 /nfs/dbraw/zinc/47/61/23/524476123.db2.gz XREMGRGJBGYMKO-CQSZACIVSA-N 1 3 268.489 3.769 10 0 CHAEHO Cc1cc(C)c(C[NH2+]CCCN2CCCC[C@H]2C)c(C)c1 ZINC000021789478 171323527 /nfs/dbraw/zinc/32/35/27/171323527.db2.gz CPYRSYHHKDCSEE-GOSISDBHSA-N 1 3 288.479 3.966 10 0 CHAEHO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCN1CCCC[C@@H]1C ZINC000021818484 171333547 /nfs/dbraw/zinc/33/35/47/171333547.db2.gz OWNYPJGEJVWEOT-TVXGVJEUSA-N 1 3 266.473 3.665 10 0 CHAEHO Cc1cc(NC[C@H](C)[NH+]2CCCCC2)c2ccccc2n1 ZINC000038029283 174019273 /nfs/dbraw/zinc/01/92/73/174019273.db2.gz CIRAVBDQCKQMGC-HNNXBMFYSA-N 1 3 283.419 3.830 10 0 CHAEHO Cc1cc(NCC[NH+](C)C)c2ccc(C(F)(F)F)cc2n1 ZINC000040570947 174338455 /nfs/dbraw/zinc/33/84/55/174338455.db2.gz IMPBXELPQWYOOX-UHFFFAOYSA-N 1 3 297.324 3.536 10 0 CHAEHO CC1CCC(C[NH2+]C2CC(C)(C)NC(C)(C)C2)CC1 ZINC000089575634 260188737 /nfs/dbraw/zinc/18/87/37/260188737.db2.gz VBHJUSDVRJKZHO-UHFFFAOYSA-N 1 3 266.473 3.712 10 0 CHAEHO CCCN(Cc1ccoc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052449293 521691378 /nfs/dbraw/zinc/69/13/78/521691378.db2.gz ZHFHYOSEWAFODC-UHFFFAOYSA-N 1 3 264.413 3.542 10 0 CHAEHO CC[C@@H](C)CN(C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052453966 521971112 /nfs/dbraw/zinc/97/11/12/521971112.db2.gz FYZGVPBIFHRRPY-CYBMUJFWSA-N 1 3 266.429 3.646 10 0 CHAEHO CCCC1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2CN)CC1 ZINC000050893145 519903139 /nfs/dbraw/zinc/90/31/39/519903139.db2.gz RPNCYEPEBGWPLD-DJIMGWMZSA-N 1 3 266.473 3.652 10 0 CHAEHO CCC(CC)C[N@H+](CC)[C@@H](C)CCNC(C)(C)C ZINC000052540759 521523789 /nfs/dbraw/zinc/52/37/89/521523789.db2.gz RQZAPRALYLFZLL-AWEZNQCLSA-N 1 3 256.478 3.911 10 0 CHAEHO CCC(CC)C[N@@H+](CC)[C@@H](C)CCNC(C)(C)C ZINC000052540759 521523794 /nfs/dbraw/zinc/52/37/94/521523794.db2.gz RQZAPRALYLFZLL-AWEZNQCLSA-N 1 3 256.478 3.911 10 0 CHAEHO CCC(CC)[N@H+](C)Cc1cc(CNC(C)C)c(C)o1 ZINC000052478044 521541900 /nfs/dbraw/zinc/54/19/00/521541900.db2.gz FXNXOYDPUFESEX-UHFFFAOYSA-N 1 3 266.429 3.706 10 0 CHAEHO CCC(CC)[N@@H+](C)Cc1cc(CNC(C)C)c(C)o1 ZINC000052478044 521541909 /nfs/dbraw/zinc/54/19/09/521541909.db2.gz FXNXOYDPUFESEX-UHFFFAOYSA-N 1 3 266.429 3.706 10 0 CHAEHO CCC[NH+](CCC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052416917 521649081 /nfs/dbraw/zinc/64/90/81/521649081.db2.gz SQCOGWWJYRQUBW-UHFFFAOYSA-N 1 3 266.429 3.708 10 0 CHAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000052333094 521650652 /nfs/dbraw/zinc/65/06/52/521650652.db2.gz WDWJETFICSURHE-UXLLHSPISA-N 1 3 266.473 3.665 10 0 CHAEHO CC[C@@H](C1CCCCC1)[N@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000052342493 522464149 /nfs/dbraw/zinc/46/41/49/522464149.db2.gz BWNWRNAXCOWPNM-UXLLHSPISA-N 1 3 266.473 3.808 10 0 CHAEHO CC[C@@H](C1CCCCC1)[N@@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000052342493 522464156 /nfs/dbraw/zinc/46/41/56/522464156.db2.gz BWNWRNAXCOWPNM-UXLLHSPISA-N 1 3 266.473 3.808 10 0 CHAEHO CC[C@H](C)[N@H+](C)Cc1cc(CNC(C)(C)C)oc1C ZINC000052444295 523922275 /nfs/dbraw/zinc/92/22/75/523922275.db2.gz YEPFAGRYMFOTTD-LBPRGKRZSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[C@H](C)[N@@H+](C)Cc1cc(CNC(C)(C)C)oc1C ZINC000052444295 523922284 /nfs/dbraw/zinc/92/22/84/523922284.db2.gz YEPFAGRYMFOTTD-LBPRGKRZSA-N 1 3 266.429 3.706 10 0 CHAEHO C[C@H]1CC(C)(C)C[C@](C[NH3+])(N2CCc3ccccc3C2)C1 ZINC000020552831 171248227 /nfs/dbraw/zinc/24/82/27/171248227.db2.gz LNLOQXIKTZDOKA-HNAYVOBHSA-N 1 3 286.463 3.588 10 0 CHAEHO C[C@H](CCc1ccccc1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000021010331 171286892 /nfs/dbraw/zinc/28/68/92/171286892.db2.gz LRQCXDVTYHKZGG-MSOLQXFVSA-N 1 3 288.479 3.862 10 0 CHAEHO CC1CCN(CCC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021047897 171294572 /nfs/dbraw/zinc/29/45/72/171294572.db2.gz XFGJVNOJFUFHTE-SJORKVTESA-N 1 3 280.500 3.913 10 0 CHAEHO CCN(CC)CCC[NH2+]C(CC(C)C)CC(C)C ZINC000021515955 171312444 /nfs/dbraw/zinc/31/24/44/171312444.db2.gz WIPWZWKHOSEFAO-UHFFFAOYSA-N 1 3 256.478 3.769 10 0 CHAEHO Cc1cc(C)c(C[NH2+]CCCN2CCCC[C@@H]2C)c(C)c1 ZINC000021789482 171323171 /nfs/dbraw/zinc/32/31/71/171323171.db2.gz CPYRSYHHKDCSEE-SFHVURJKSA-N 1 3 288.479 3.966 10 0 CHAEHO C[C@@H](CN[C@@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041874 174044765 /nfs/dbraw/zinc/04/47/65/174044765.db2.gz XJFMPAJCQUBECA-QFBILLFUSA-N 1 3 286.463 3.776 10 0 CHAEHO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)CN1CCCCC1 ZINC000038041874 174044766 /nfs/dbraw/zinc/04/47/66/174044766.db2.gz XJFMPAJCQUBECA-QFBILLFUSA-N 1 3 286.463 3.776 10 0 CHAEHO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc2ccccc2c1 ZINC000128488261 260374850 /nfs/dbraw/zinc/37/48/50/260374850.db2.gz AYYPCQBEENVURK-SFHVURJKSA-N 1 3 270.420 3.645 10 0 CHAEHO CC(C)(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000228533769 262340650 /nfs/dbraw/zinc/34/06/50/262340650.db2.gz CSPNJQHDAOWLED-NWANDNLSSA-N 1 3 292.492 3.605 10 0 CHAEHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(Cl)cc1 ZINC000049856219 328380437 /nfs/dbraw/zinc/38/04/37/328380437.db2.gz LGLQMRLJQQDCEN-BBRMVZONSA-N 1 3 280.843 3.865 10 0 CHAEHO CC(C)Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400526402 332712578 /nfs/dbraw/zinc/71/25/78/332712578.db2.gz QDIFHZBLGPGUAG-RLFYNMQTSA-N 1 3 274.452 3.534 10 0 CHAEHO CCNCc1occc1C[NH+](CC(C)C)CC(C)C ZINC000052484926 520031555 /nfs/dbraw/zinc/03/15/55/520031555.db2.gz HMHYEGGPVJQMNK-UHFFFAOYSA-N 1 3 266.429 3.503 10 0 CHAEHO CC(C)C[N@H+](Cc1ccoc1CNC(C)C)C(C)C ZINC000052572579 519718636 /nfs/dbraw/zinc/71/86/36/519718636.db2.gz OHBKINPJWXGAHH-UHFFFAOYSA-N 1 3 266.429 3.644 10 0 CHAEHO CC(C)C[N@@H+](Cc1ccoc1CNC(C)C)C(C)C ZINC000052572579 519718637 /nfs/dbraw/zinc/71/86/37/519718637.db2.gz OHBKINPJWXGAHH-UHFFFAOYSA-N 1 3 266.429 3.644 10 0 CHAEHO CC(C)[NH2+]CCCCCN1CCc2sccc2[C@H]1C ZINC000052505549 519720688 /nfs/dbraw/zinc/72/06/88/519720688.db2.gz XFVNPOQJGSDKRM-CQSZACIVSA-N 1 3 280.481 3.836 10 0 CHAEHO CC(C)CNCc1occc1C[N@H+](C)[C@@H](C)C(C)C ZINC000052478663 519749108 /nfs/dbraw/zinc/74/91/08/519749108.db2.gz XQUUSZHWGXZGDL-AWEZNQCLSA-N 1 3 266.429 3.502 10 0 CHAEHO CC(C)CNCc1occc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000052478663 519749109 /nfs/dbraw/zinc/74/91/09/519749109.db2.gz XQUUSZHWGXZGDL-AWEZNQCLSA-N 1 3 266.429 3.502 10 0 CHAEHO CCNCc1cc(C[N@H+](C)[C@@H](C)CC(C)C)c(C)o1 ZINC000052572071 519987530 /nfs/dbraw/zinc/98/75/30/519987530.db2.gz PYENAYGPVQGEBN-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1cc(C[N@@H+](C)[C@@H](C)CC(C)C)c(C)o1 ZINC000052572071 519987536 /nfs/dbraw/zinc/98/75/36/519987536.db2.gz PYENAYGPVQGEBN-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CC[N@H+](Cc1ccoc1CNC(C)C)C1CCCC1 ZINC000052457722 521424023 /nfs/dbraw/zinc/42/40/23/521424023.db2.gz PAOQGPIMGZDVNH-UHFFFAOYSA-N 1 3 264.413 3.542 10 0 CHAEHO CC[N@@H+](Cc1ccoc1CNC(C)C)C1CCCC1 ZINC000052457722 521424025 /nfs/dbraw/zinc/42/40/25/521424025.db2.gz PAOQGPIMGZDVNH-UHFFFAOYSA-N 1 3 264.413 3.542 10 0 CHAEHO CCCN(CC)Cc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052448707 521613258 /nfs/dbraw/zinc/61/32/58/521613258.db2.gz AHAWEOQQJAKPAI-UHFFFAOYSA-N 1 3 266.429 3.566 10 0 CHAEHO CN(CCC[C@H]1CCCC[NH2+]1)Cc1ccccc1Cl ZINC000050953075 522789270 /nfs/dbraw/zinc/78/92/70/522789270.db2.gz CINQISDKPAXABB-OAHLLOKOSA-N 1 3 280.843 3.694 10 0 CHAEHO CC[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529331 522911320 /nfs/dbraw/zinc/91/13/20/522911320.db2.gz RRQMZSLJLZZCED-BFHYXJOUSA-N 1 3 266.454 3.519 10 0 CHAEHO CC[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529331 522911330 /nfs/dbraw/zinc/91/13/30/522911330.db2.gz RRQMZSLJLZZCED-BFHYXJOUSA-N 1 3 266.454 3.519 10 0 CHAEHO CC[C@H]1CCCCN1CC(C)(C)C[NH2+]CC(C)C ZINC000051215253 523019360 /nfs/dbraw/zinc/01/93/60/523019360.db2.gz UUOPSHQUCITXDM-HNNXBMFYSA-N 1 3 254.462 3.523 10 0 CHAEHO CC[C@H](C)[N@H+](CC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052451665 523934501 /nfs/dbraw/zinc/93/45/01/523934501.db2.gz LQAQMMWDZLIESA-AWEZNQCLSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[C@H](C)[N@@H+](CC)Cc1cc(C)c(CNC(C)C)o1 ZINC000052451665 523934504 /nfs/dbraw/zinc/93/45/04/523934504.db2.gz LQAQMMWDZLIESA-AWEZNQCLSA-N 1 3 266.429 3.706 10 0 CHAEHO CCC(C)(C)C1CCC2(CC1)[C@@H]([NH3+])CCN2C(C)C ZINC000712012439 567836750 /nfs/dbraw/zinc/83/67/50/567836750.db2.gz NRLHFVAKPXFJQH-CKDBGZEDSA-N 1 3 266.473 3.793 10 0 CHAEHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000021500771 171304813 /nfs/dbraw/zinc/30/48/13/171304813.db2.gz JCSMDAODWUTVQV-HZPDHXFCSA-N 1 3 266.473 3.667 10 0 CHAEHO [NH3+][C@@H]1CCCCCCCCCC[C@H]1N1CCCC1 ZINC000021511248 171310674 /nfs/dbraw/zinc/31/06/74/171310674.db2.gz RJUMBKUDPZXRPG-HZPDHXFCSA-N 1 3 252.446 3.693 10 0 CHAEHO C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037220190 173038410 /nfs/dbraw/zinc/03/84/10/173038410.db2.gz KVYKLFJHDWFYKU-GZBFAFLISA-N 1 3 280.843 3.721 10 0 CHAEHO C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037220190 173038413 /nfs/dbraw/zinc/03/84/13/173038413.db2.gz KVYKLFJHDWFYKU-GZBFAFLISA-N 1 3 280.843 3.721 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342100 265238689 /nfs/dbraw/zinc/23/86/89/265238689.db2.gz JMUZSJJLAYTFCM-QAPCUYQASA-N 1 3 288.479 3.770 10 0 CHAEHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1F ZINC000094955365 265278801 /nfs/dbraw/zinc/27/88/01/265278801.db2.gz JVRMJRNIYQRYIZ-HOCLYGCPSA-N 1 3 278.415 3.659 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+](C)C1CCNCC1 ZINC000036301110 330253840 /nfs/dbraw/zinc/25/38/40/330253840.db2.gz FLKGKAYIZWHMCD-UHFFFAOYSA-N 1 3 288.479 3.785 10 0 CHAEHO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)C1CCNCC1 ZINC000036301110 330253842 /nfs/dbraw/zinc/25/38/42/330253842.db2.gz FLKGKAYIZWHMCD-UHFFFAOYSA-N 1 3 288.479 3.785 10 0 CHAEHO C[C@H](N[C@H](CC(C)(C)C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400523965 332712679 /nfs/dbraw/zinc/71/26/79/332712679.db2.gz PIBXHAHXTNEXDP-USXIJHARSA-N 1 3 274.452 3.752 10 0 CHAEHO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)N)cc1 ZINC000227024354 333273722 /nfs/dbraw/zinc/27/37/22/333273722.db2.gz WTRXIRWWFMDUKU-YOEHRIQHSA-N 1 3 260.425 3.512 10 0 CHAEHO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)N)cc1 ZINC000227024354 333273723 /nfs/dbraw/zinc/27/37/23/333273723.db2.gz WTRXIRWWFMDUKU-YOEHRIQHSA-N 1 3 260.425 3.512 10 0 CHAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424293 334129308 /nfs/dbraw/zinc/12/93/08/334129308.db2.gz VTXFSNGSRWRDCW-YHNBSYBMSA-N 1 3 266.473 3.508 10 0 CHAEHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424293 334129309 /nfs/dbraw/zinc/12/93/09/334129309.db2.gz VTXFSNGSRWRDCW-YHNBSYBMSA-N 1 3 266.473 3.508 10 0 CHAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)CCCC(C)C ZINC000054629676 519910592 /nfs/dbraw/zinc/91/05/92/519910592.db2.gz IJZVRKADKKLCAR-XYTVBORESA-N 1 3 266.473 3.806 10 0 CHAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CCCC(C)C ZINC000054629676 519910596 /nfs/dbraw/zinc/91/05/96/519910596.db2.gz IJZVRKADKKLCAR-XYTVBORESA-N 1 3 266.473 3.806 10 0 CHAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)CCCC(C)C ZINC000054629676 519910599 /nfs/dbraw/zinc/91/05/99/519910599.db2.gz IJZVRKADKKLCAR-XYTVBORESA-N 1 3 266.473 3.806 10 0 CHAEHO CCCNCc1cc(C[N@H+](C)[C@@H](C)C(C)C)oc1C ZINC000052478427 519943744 /nfs/dbraw/zinc/94/37/44/519943744.db2.gz CNFSOSVXMORTCT-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCNCc1cc(C[N@@H+](C)[C@@H](C)C(C)C)oc1C ZINC000052478427 519943753 /nfs/dbraw/zinc/94/37/53/519943753.db2.gz CNFSOSVXMORTCT-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)c(C)o1 ZINC000052504579 519987752 /nfs/dbraw/zinc/98/77/52/519987752.db2.gz QOEARGOVBGLBNW-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CCNCc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(C)o1 ZINC000052504579 519987758 /nfs/dbraw/zinc/98/77/58/519987758.db2.gz QOEARGOVBGLBNW-ZDUSSCGKSA-N 1 3 266.429 3.564 10 0 CHAEHO CC[N@H+]([C@@H](C)CCNCC(C)C)C1CCCCC1 ZINC000052420177 521472973 /nfs/dbraw/zinc/47/29/73/521472973.db2.gz VJDCPONJDGJGCK-HNNXBMFYSA-N 1 3 254.462 3.665 10 0 CHAEHO CC[N@@H+]([C@@H](C)CCNCC(C)C)C1CCCCC1 ZINC000052420177 521472977 /nfs/dbraw/zinc/47/29/77/521472977.db2.gz VJDCPONJDGJGCK-HNNXBMFYSA-N 1 3 254.462 3.665 10 0 CHAEHO CCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccsc2)C1 ZINC000061361147 521650540 /nfs/dbraw/zinc/65/05/40/521650540.db2.gz RBUJALNTLVDUCD-RDBSUJKOSA-N 1 3 266.454 3.519 10 0 CHAEHO CC(C)C[C@@H](C)N(C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052571964 519772686 /nfs/dbraw/zinc/77/26/86/519772686.db2.gz VCXNKWFZAPUNLR-CQSZACIVSA-N 1 3 266.429 3.644 10 0 CHAEHO CC[C@@H](C)[N@@H+](C)Cc1cc(CNC(C)(C)C)oc1C ZINC000052444294 522064246 /nfs/dbraw/zinc/06/42/46/522064246.db2.gz YEPFAGRYMFOTTD-GFCCVEGCSA-N 1 3 266.429 3.706 10 0 CHAEHO CC[C@@H](C)[N@H+](C)Cc1cc(CNC(C)(C)C)oc1C ZINC000052444294 522064236 /nfs/dbraw/zinc/06/42/36/522064236.db2.gz YEPFAGRYMFOTTD-GFCCVEGCSA-N 1 3 266.429 3.706 10 0 CHAEHO CCCn1cc(CNC[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000057353487 567895123 /nfs/dbraw/zinc/89/51/23/567895123.db2.gz IPYSMMQHJQWOJY-QGZVFWFLSA-N 1 3 299.462 3.625 10 0 CHAEHO CCCn1cc(CNC[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000057353487 567895124 /nfs/dbraw/zinc/89/51/24/567895124.db2.gz IPYSMMQHJQWOJY-QGZVFWFLSA-N 1 3 299.462 3.625 10 0 CHAEHO C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N2CCc3ccccc3C2)C1 ZINC000020552830 171248041 /nfs/dbraw/zinc/24/80/41/171248041.db2.gz LNLOQXIKTZDOKA-DNVCBOLYSA-N 1 3 286.463 3.588 10 0 CHAEHO [NH3+][C@H]1CCCCCCCCCC[C@@H]1N1CCCC1 ZINC000021511247 171310340 /nfs/dbraw/zinc/31/03/40/171310340.db2.gz RJUMBKUDPZXRPG-HOTGVXAUSA-N 1 3 252.446 3.693 10 0 CHAEHO CC[C@H](C[C@@H](C)CC)[NH2+]CCCN1CCC(C)CC1 ZINC000022147275 171357241 /nfs/dbraw/zinc/35/72/41/171357241.db2.gz VDOMPRYJOHVYHF-DOTOQJQBSA-N 1 3 268.489 3.913 10 0 CHAEHO CC[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041819 174043661 /nfs/dbraw/zinc/04/36/61/174043661.db2.gz KGURAGARTCIECH-FUHWJXTLSA-N 1 3 274.452 3.849 10 0 CHAEHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccccc1 ZINC000038041819 174043662 /nfs/dbraw/zinc/04/36/62/174043662.db2.gz KGURAGARTCIECH-FUHWJXTLSA-N 1 3 274.452 3.849 10 0 CHAEHO CCCCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041887 174044625 /nfs/dbraw/zinc/04/46/25/174044625.db2.gz LMHSYPKTBKGCGR-CVEARBPZSA-N 1 3 254.462 3.667 10 0 CHAEHO CCCNCc1cc(C[N@H+](C)[C@H](C)C(C)C)c(C)o1 ZINC000052478642 519946199 /nfs/dbraw/zinc/94/61/99/519946199.db2.gz RMHYHUPSBDDAKF-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCNCc1cc(C[N@@H+](C)[C@H](C)C(C)C)c(C)o1 ZINC000052478642 519946205 /nfs/dbraw/zinc/94/62/05/519946205.db2.gz RMHYHUPSBDDAKF-CYBMUJFWSA-N 1 3 266.429 3.564 10 0 CHAEHO CCCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(CCC)C1 ZINC000050887321 521010669 /nfs/dbraw/zinc/01/06/69/521010669.db2.gz REZHNJXDHFTEIE-OWCLPIDISA-N 1 3 254.462 3.665 10 0 CHAEHO CCC[NH2+]Cc1coc(CN(C)[C@H](C)C(C)(C)C)c1 ZINC000052504489 519966214 /nfs/dbraw/zinc/96/62/14/519966214.db2.gz JUPXFLODVPWDDX-CYBMUJFWSA-N 1 3 266.429 3.646 10 0 CHAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(CCC)C1CC1 ZINC000053865909 520024775 /nfs/dbraw/zinc/02/47/75/520024775.db2.gz BNZMQYRCUIXNSG-BFYDXBDKSA-N 1 3 266.473 3.665 10 0 CHAEHO CCCN(Cc1cc(C[NH2+]CC(C)C)co1)C(C)C ZINC000052450467 521680917 /nfs/dbraw/zinc/68/09/17/521680917.db2.gz YIYHPHUJFYYITB-UHFFFAOYSA-N 1 3 266.429 3.646 10 0 CHAEHO CC[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529333 522936176 /nfs/dbraw/zinc/93/61/76/522936176.db2.gz RRQMZSLJLZZCED-MGPQQGTHSA-N 1 3 266.454 3.519 10 0 CHAEHO CC[C@@H](N[C@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529333 522936183 /nfs/dbraw/zinc/93/61/83/522936183.db2.gz RRQMZSLJLZZCED-MGPQQGTHSA-N 1 3 266.454 3.519 10 0 CHAEHO CCCN1CC[C@@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000712032410 567836652 /nfs/dbraw/zinc/83/66/52/567836652.db2.gz OXVCIPZSQDDLGC-ISXOHVOVSA-N 1 3 266.473 3.795 10 0 CHAEHO