smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)CC1 ZINC001164617174 719032587 /nfs/dbraw/zinc/03/25/87/719032587.db2.gz IUHKAVBQEJVTDK-UHFFFAOYSA-N 2 1 400.567 2.920 20 0 HFADMP CCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627352 719088109 /nfs/dbraw/zinc/08/81/09/719088109.db2.gz JWMYVLMFORBUAT-RBBKRZOGSA-N 2 1 407.562 2.976 20 0 HFADMP CCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627352 719088114 /nfs/dbraw/zinc/08/81/14/719088114.db2.gz JWMYVLMFORBUAT-RBBKRZOGSA-N 2 1 407.562 2.976 20 0 HFADMP CCOC(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164683607 719621354 /nfs/dbraw/zinc/62/13/54/719621354.db2.gz TZJLYIRWQXYBLK-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP CCOC(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164683607 719621358 /nfs/dbraw/zinc/62/13/58/719621358.db2.gz TZJLYIRWQXYBLK-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840662 720504755 /nfs/dbraw/zinc/50/47/55/720504755.db2.gz XESCOAQDZAFRQD-PCCBWWKXSA-N 2 1 409.582 2.960 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164835656 720589738 /nfs/dbraw/zinc/58/97/38/720589738.db2.gz CEOKGAQNKYNNLS-UWVAXJGDSA-N 2 1 414.985 2.955 20 0 HFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858211 720860422 /nfs/dbraw/zinc/86/04/22/720860422.db2.gz RQBOFLPMKHNEAQ-UNMCSNQZSA-N 2 1 421.545 2.653 20 0 HFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858211 720860423 /nfs/dbraw/zinc/86/04/23/720860423.db2.gz RQBOFLPMKHNEAQ-UNMCSNQZSA-N 2 1 421.545 2.653 20 0 HFADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164796807 721497254 /nfs/dbraw/zinc/49/72/54/721497254.db2.gz YVBPSGVDJOIVAO-UHFFFAOYSA-N 2 1 408.550 2.589 20 0 HFADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164796807 721497256 /nfs/dbraw/zinc/49/72/56/721497256.db2.gz YVBPSGVDJOIVAO-UHFFFAOYSA-N 2 1 408.550 2.589 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164807855 721573122 /nfs/dbraw/zinc/57/31/22/721573122.db2.gz TYBNYANGLWEXNT-DWLFOUALSA-N 2 1 413.953 2.644 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165026617 721804335 /nfs/dbraw/zinc/80/43/35/721804335.db2.gz ROLFYEFPJJAWDU-MOXGXCLJSA-N 2 1 412.969 2.908 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805792893 1079257917 /nfs/dbraw/zinc/25/79/17/1079257917.db2.gz IFTRIIVKPQYZIL-HSZRJFAPSA-N 2 1 422.614 2.698 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805792893 1079257922 /nfs/dbraw/zinc/25/79/22/1079257922.db2.gz IFTRIIVKPQYZIL-HSZRJFAPSA-N 2 1 422.614 2.698 20 0 HFADMP COC(=O)COc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)cc1 ZINC001170496140 1079395712 /nfs/dbraw/zinc/39/57/12/1079395712.db2.gz MCQLPLBEPQIURC-WWDZGPRUSA-N 2 1 411.502 2.610 20 0 HFADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000788846107 1077318350 /nfs/dbraw/zinc/31/83/50/1077318350.db2.gz GLAVYZGULVOHQK-FQEVSTJZSA-N 2 1 424.630 2.659 20 0 HFADMP Cc1cnc2c(N(CC[NH3+])c3cc(-n4cc[nH+]c4C)ncn3)nc3ccc(C)cc3n12 ZINC001170152818 1077371027 /nfs/dbraw/zinc/37/10/27/1077371027.db2.gz YTRVAEFQDCCNIU-UHFFFAOYSA-N 2 1 413.489 2.880 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815803 1077583668 /nfs/dbraw/zinc/58/36/68/1077583668.db2.gz NLOQOSQZVBSOEM-IEBWSBKVSA-N 2 1 407.942 2.713 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815803 1077583672 /nfs/dbraw/zinc/58/36/72/1077583672.db2.gz NLOQOSQZVBSOEM-IEBWSBKVSA-N 2 1 407.942 2.713 20 0 HFADMP CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940039 1077600883 /nfs/dbraw/zinc/60/08/83/1077600883.db2.gz SYRZBXNAGOMXHB-NRFANRHFSA-N 2 1 405.558 2.997 20 0 HFADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792046490 1077692328 /nfs/dbraw/zinc/69/23/28/1077692328.db2.gz KPNLLBQGNFSVFR-HXUWFJFHSA-N 2 1 404.518 2.897 20 0 HFADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792046490 1077692330 /nfs/dbraw/zinc/69/23/30/1077692330.db2.gz KPNLLBQGNFSVFR-HXUWFJFHSA-N 2 1 404.518 2.897 20 0 HFADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792080923 1077706691 /nfs/dbraw/zinc/70/66/91/1077706691.db2.gz GKDLOEWWQBUZCA-SFHVURJKSA-N 2 1 410.603 2.556 20 0 HFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792080923 1077706693 /nfs/dbraw/zinc/70/66/93/1077706693.db2.gz GKDLOEWWQBUZCA-SFHVURJKSA-N 2 1 410.603 2.556 20 0 HFADMP Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000792548790 1077899447 /nfs/dbraw/zinc/89/94/47/1077899447.db2.gz DYUQWCQKLYHWBG-UHFFFAOYSA-N 2 1 406.486 2.534 20 0 HFADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]cnc3c2ccn3COCC[Si](C)(C)C)O1 ZINC001170270045 1077923743 /nfs/dbraw/zinc/92/37/43/1077923743.db2.gz CIQSZUFVAYKGDH-HLIPFELVSA-N 2 1 421.618 2.880 20 0 HFADMP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001170503429 1079547537 /nfs/dbraw/zinc/54/75/37/1079547537.db2.gz NNKKECUNXMDIFG-AEFFLSMTSA-N 2 1 409.571 2.782 20 0 HFADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806814774 1080027063 /nfs/dbraw/zinc/02/70/63/1080027063.db2.gz VCXUQNXEKBTANW-QIJUGHKUSA-N 2 1 400.567 2.592 20 0 HFADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747393484 1080563134 /nfs/dbraw/zinc/56/31/34/1080563134.db2.gz FIKDBAPHXYRQGA-FGZHOGPDSA-N 2 1 403.542 2.940 20 0 HFADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747393484 1080563142 /nfs/dbraw/zinc/56/31/42/1080563142.db2.gz FIKDBAPHXYRQGA-FGZHOGPDSA-N 2 1 403.542 2.940 20 0 HFADMP C[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673766 719443716 /nfs/dbraw/zinc/44/37/16/719443716.db2.gz UEJILIYTPFRYTG-IRXDYDNUSA-N 2 1 413.591 2.685 20 0 HFADMP C[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673766 719443723 /nfs/dbraw/zinc/44/37/23/719443723.db2.gz UEJILIYTPFRYTG-IRXDYDNUSA-N 2 1 413.591 2.685 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc4c(c3)OCCO4)nn2)c2c1CC[NH2+]C2 ZINC001164680534 719641659 /nfs/dbraw/zinc/64/16/59/719641659.db2.gz UYIKZMNLTMONQZ-UHFFFAOYSA-N 2 1 420.517 2.586 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc4c(c3)OCCO4)nn2)c2c1CC[NH2+]C2 ZINC001164680534 719641669 /nfs/dbraw/zinc/64/16/69/719641669.db2.gz UYIKZMNLTMONQZ-UHFFFAOYSA-N 2 1 420.517 2.586 20 0 HFADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(N)c[nH+]3)CC2)c2ccccc21 ZINC001164680293 719659588 /nfs/dbraw/zinc/65/95/88/719659588.db2.gz FAHJYZOSQQIUOA-SFHVURJKSA-N 2 1 407.562 2.757 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712019 720092338 /nfs/dbraw/zinc/09/23/38/720092338.db2.gz UDHDZQLLNYWHSR-FQEVSTJZSA-N 2 1 410.566 2.835 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712019 720092345 /nfs/dbraw/zinc/09/23/45/720092345.db2.gz UDHDZQLLNYWHSR-FQEVSTJZSA-N 2 1 410.566 2.835 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816852 720193411 /nfs/dbraw/zinc/19/34/11/720193411.db2.gz NEVKCWGYEROGFH-YKSBVNFPSA-N 2 1 414.594 2.739 20 0 HFADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816852 720193418 /nfs/dbraw/zinc/19/34/18/720193418.db2.gz NEVKCWGYEROGFH-YKSBVNFPSA-N 3 1 414.594 2.739 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816852 720193424 /nfs/dbraw/zinc/19/34/24/720193424.db2.gz NEVKCWGYEROGFH-YKSBVNFPSA-N 3 1 414.594 2.739 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816849 720193541 /nfs/dbraw/zinc/19/35/41/720193541.db2.gz NEVKCWGYEROGFH-HYBUGGRVSA-N 2 1 414.594 2.739 20 0 HFADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816849 720193545 /nfs/dbraw/zinc/19/35/45/720193545.db2.gz NEVKCWGYEROGFH-HYBUGGRVSA-N 3 1 414.594 2.739 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816849 720193548 /nfs/dbraw/zinc/19/35/48/720193548.db2.gz NEVKCWGYEROGFH-HYBUGGRVSA-N 3 1 414.594 2.739 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835303 720584666 /nfs/dbraw/zinc/58/46/66/720584666.db2.gz BCCWLDOYBGCGRB-BAGYTPMASA-N 3 1 423.609 2.583 20 0 HFADMP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835303 720584680 /nfs/dbraw/zinc/58/46/80/720584680.db2.gz BCCWLDOYBGCGRB-BAGYTPMASA-N 2 1 423.609 2.583 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835303 720584701 /nfs/dbraw/zinc/58/47/01/720584701.db2.gz BCCWLDOYBGCGRB-BAGYTPMASA-N 2 1 423.609 2.583 20 0 HFADMP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749512 720838371 /nfs/dbraw/zinc/83/83/71/720838371.db2.gz WBMRMCKIIWAWMF-CEMLEFRQSA-N 2 1 407.566 2.653 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]21 ZINC001165021368 721799698 /nfs/dbraw/zinc/79/96/98/721799698.db2.gz GNZMRADCHFOSQD-QKYXUNIQSA-N 2 1 412.969 2.908 20 0 HFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165043614 721926265 /nfs/dbraw/zinc/92/62/65/721926265.db2.gz NDSIJNPJWBKTEV-QGZVFWFLSA-N 2 1 412.912 2.958 20 0 HFADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)cc1 ZINC001164938597 721928695 /nfs/dbraw/zinc/92/86/95/721928695.db2.gz ADVZSZHNZYYMOM-UHFFFAOYSA-N 2 1 421.589 2.671 20 0 HFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793914563 1078336669 /nfs/dbraw/zinc/33/66/69/1078336669.db2.gz UWLNFUFRHYTOBH-ZCNNSNEGSA-N 2 1 420.642 2.630 20 0 HFADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074993 1078906026 /nfs/dbraw/zinc/90/60/26/1078906026.db2.gz RJPQYTWFRVTBFY-VAMGGRTRSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074993 1078906028 /nfs/dbraw/zinc/90/60/28/1078906028.db2.gz RJPQYTWFRVTBFY-VAMGGRTRSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074993 1078906030 /nfs/dbraw/zinc/90/60/30/1078906030.db2.gz RJPQYTWFRVTBFY-VAMGGRTRSA-N 2 1 408.974 2.885 20 0 HFADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000787480999 1076839236 /nfs/dbraw/zinc/83/92/36/1076839236.db2.gz PCDZGVDVPSWTPW-VXKWHMMOSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787480999 1076839245 /nfs/dbraw/zinc/83/92/45/1076839245.db2.gz PCDZGVDVPSWTPW-VXKWHMMOSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787480999 1076839253 /nfs/dbraw/zinc/83/92/53/1076839253.db2.gz PCDZGVDVPSWTPW-VXKWHMMOSA-N 2 1 410.562 2.519 20 0 HFADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccsc1 ZINC000787652216 1076898209 /nfs/dbraw/zinc/89/82/09/1076898209.db2.gz IBENZBRUXFAFKO-HXUWFJFHSA-N 2 1 420.623 2.628 20 0 HFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252104 1077087351 /nfs/dbraw/zinc/08/73/51/1077087351.db2.gz YNWIKVHNOACALW-RBUKOAKNSA-N 2 1 410.603 2.745 20 0 HFADMP CCOC(=O)C1([C@H](C)[NH2+]CCn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788581447 1077212334 /nfs/dbraw/zinc/21/23/34/1077212334.db2.gz ARZYMYHHUDSFRY-INIZCTEOSA-N 2 1 408.543 2.750 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)C2)C1 ZINC000788601394 1077219241 /nfs/dbraw/zinc/21/92/41/1077219241.db2.gz JGFAKPBRQRPOJB-FPOVZHCZSA-N 2 1 415.578 2.859 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)C2)C1 ZINC000788601394 1077219247 /nfs/dbraw/zinc/21/92/47/1077219247.db2.gz JGFAKPBRQRPOJB-FPOVZHCZSA-N 2 1 415.578 2.859 20 0 HFADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059264 1077666052 /nfs/dbraw/zinc/66/60/52/1077666052.db2.gz ZQASFMFOFGMYTK-LJQANCHMSA-N 2 1 410.603 2.558 20 0 HFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059264 1077666060 /nfs/dbraw/zinc/66/60/60/1077666060.db2.gz ZQASFMFOFGMYTK-LJQANCHMSA-N 2 1 410.603 2.558 20 0 HFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364619 1078014766 /nfs/dbraw/zinc/01/47/66/1078014766.db2.gz AQYMGBDZKNCSIS-CVDCTZTESA-N 2 1 409.534 2.683 20 0 HFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364619 1078014768 /nfs/dbraw/zinc/01/47/68/1078014768.db2.gz AQYMGBDZKNCSIS-CVDCTZTESA-N 2 1 409.534 2.683 20 0 HFADMP C[S@@](=O)c1c[nH]c2ncnc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)c12 ZINC001170523646 1080593024 /nfs/dbraw/zinc/59/30/24/1080593024.db2.gz AFLYTIHMZKSKKI-SSEXGKCCSA-N 2 1 422.558 2.605 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164389890 718824390 /nfs/dbraw/zinc/82/43/90/718824390.db2.gz KLDHHYWVXKKRIB-DLBZAZTESA-N 2 1 413.591 2.733 20 0 HFADMP COc1cccc2c1nc(Cl)nc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684660 719621371 /nfs/dbraw/zinc/62/13/71/719621371.db2.gz VZKHPZNKUOIGSF-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COc1cccc2c1nc(Cl)nc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684660 719621376 /nfs/dbraw/zinc/62/13/76/719621376.db2.gz VZKHPZNKUOIGSF-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COC(=O)c1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c2ccccc2c1OC ZINC001164679530 719644614 /nfs/dbraw/zinc/64/46/14/719644614.db2.gz FLKUIYPZVQHWRT-UHFFFAOYSA-N 2 1 423.517 2.702 20 0 HFADMP COC(=O)c1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c2ccccc2c1OC ZINC001164679530 719644618 /nfs/dbraw/zinc/64/46/18/719644618.db2.gz FLKUIYPZVQHWRT-UHFFFAOYSA-N 2 1 423.517 2.702 20 0 HFADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3[nH+]cccc3N)CC2)c2ccccc21 ZINC001164680333 719662918 /nfs/dbraw/zinc/66/29/18/719662918.db2.gz FQPDYGAJEAHLSS-SFHVURJKSA-N 2 1 407.562 2.757 20 0 HFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164711110 720099912 /nfs/dbraw/zinc/09/99/12/720099912.db2.gz OKYUOBVBHMYUBS-NRFANRHFSA-N 2 1 407.562 2.630 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742530 720842986 /nfs/dbraw/zinc/84/29/86/720842986.db2.gz HGRNZJAHJOVEEG-IRFCIJBXSA-N 2 1 420.565 2.983 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742530 720842987 /nfs/dbraw/zinc/84/29/87/720842987.db2.gz HGRNZJAHJOVEEG-IRFCIJBXSA-N 2 1 420.565 2.983 20 0 HFADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@H]2C1 ZINC001164855470 720861021 /nfs/dbraw/zinc/86/10/21/720861021.db2.gz MWMWDWKFOKBZRV-HKUYNNGSSA-N 2 1 408.974 2.504 20 0 HFADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@H]2C1 ZINC001164855470 720861022 /nfs/dbraw/zinc/86/10/22/720861022.db2.gz MWMWDWKFOKBZRV-HKUYNNGSSA-N 2 1 408.974 2.504 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001165024182 721819686 /nfs/dbraw/zinc/81/96/86/721819686.db2.gz JNEFSGYXJSXMEO-AJSBUHFISA-N 2 1 406.578 2.623 20 0 HFADMP Cc1ccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959855 722025387 /nfs/dbraw/zinc/02/53/87/722025387.db2.gz JCUSKQTXXYINSN-NFBKMPQASA-N 2 1 408.550 2.823 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980900 722146529 /nfs/dbraw/zinc/14/65/29/722146529.db2.gz NMRSYQKYGBONIV-GGAORHGYSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980900 722146530 /nfs/dbraw/zinc/14/65/30/722146530.db2.gz NMRSYQKYGBONIV-GGAORHGYSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980900 722146533 /nfs/dbraw/zinc/14/65/33/722146533.db2.gz NMRSYQKYGBONIV-GGAORHGYSA-N 2 1 407.562 2.798 20 0 HFADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCC[NH+]1C1CC1 ZINC001691696285 1078123586 /nfs/dbraw/zinc/12/35/86/1078123586.db2.gz SVUKHZCXQCVXME-ZVDOUQERSA-N 2 1 418.630 2.964 20 0 HFADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCC[NH+]1C1CC1 ZINC001691696285 1078123589 /nfs/dbraw/zinc/12/35/89/1078123589.db2.gz SVUKHZCXQCVXME-ZVDOUQERSA-N 2 1 418.630 2.964 20 0 HFADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001691696285 1078123593 /nfs/dbraw/zinc/12/35/93/1078123593.db2.gz SVUKHZCXQCVXME-ZVDOUQERSA-N 2 1 418.630 2.964 20 0 HFADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001691696285 1078123597 /nfs/dbraw/zinc/12/35/97/1078123597.db2.gz SVUKHZCXQCVXME-ZVDOUQERSA-N 2 1 418.630 2.964 20 0 HFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793328373 1078138709 /nfs/dbraw/zinc/13/87/09/1078138709.db2.gz BWVUOEMTXXBULS-UFYCRDLUSA-N 2 1 424.630 2.897 20 0 HFADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1)CC(C)C ZINC000793694069 1078270365 /nfs/dbraw/zinc/27/03/65/1078270365.db2.gz BDLJCTMEWQIXIL-FQEVSTJZSA-N 2 1 408.631 2.584 20 0 HFADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001170443800 1078381151 /nfs/dbraw/zinc/38/11/51/1078381151.db2.gz TWEWKGKIFWXJKB-UPVQGACJSA-N 2 1 403.611 2.908 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC000805763593 1079264642 /nfs/dbraw/zinc/26/46/42/1079264642.db2.gz MGKHQWZYFWUMGB-LJQANCHMSA-N 2 1 410.603 2.745 20 0 HFADMP C[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000805940770 1079343729 /nfs/dbraw/zinc/34/37/29/1079343729.db2.gz BVNZBQQAMZNDHG-JSRJAPPDSA-N 2 1 414.594 2.536 20 0 HFADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000787480994 1076839308 /nfs/dbraw/zinc/83/93/08/1076839308.db2.gz PCDZGVDVPSWTPW-FCHUYYIVSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787480994 1076839313 /nfs/dbraw/zinc/83/93/13/1076839313.db2.gz PCDZGVDVPSWTPW-FCHUYYIVSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787480994 1076839316 /nfs/dbraw/zinc/83/93/16/1076839316.db2.gz PCDZGVDVPSWTPW-FCHUYYIVSA-N 2 1 410.562 2.519 20 0 HFADMP C[N@H+]1CC[C@@H](c2ccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cc2)C1 ZINC001170075701 1076894512 /nfs/dbraw/zinc/89/45/12/1076894512.db2.gz GIKFHSKRZHVAPZ-LJQANCHMSA-N 2 1 410.543 2.808 20 0 HFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787914302 1076993276 /nfs/dbraw/zinc/99/32/76/1076993276.db2.gz YYEXXJYFACICJV-FQEVSTJZSA-N 2 1 420.642 2.776 20 0 HFADMP Cc1cnc2c(N(CC[NH3+])c3ccc(-n4cc[nH+]c4C)nn3)nc3ccc(C)cc3n12 ZINC001170152093 1077371706 /nfs/dbraw/zinc/37/17/06/1077371706.db2.gz SRRKHPVZLSOYGU-UHFFFAOYSA-N 2 1 413.489 2.880 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814715 1077582339 /nfs/dbraw/zinc/58/23/39/1077582339.db2.gz CGUISMANAIEWOP-YADHBBJMSA-N 2 1 409.530 2.904 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814715 1077582341 /nfs/dbraw/zinc/58/23/41/1077582341.db2.gz CGUISMANAIEWOP-YADHBBJMSA-N 2 1 409.530 2.904 20 0 HFADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792056704 1077661955 /nfs/dbraw/zinc/66/19/55/1077661955.db2.gz IVAPHRISWLEAMF-PMACEKPBSA-N 2 1 424.630 2.804 20 0 HFADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792057279 1077663553 /nfs/dbraw/zinc/66/35/53/1077663553.db2.gz OUDRTCNDSVJNMP-IBGZPJMESA-N 2 1 410.603 2.700 20 0 HFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792057279 1077663557 /nfs/dbraw/zinc/66/35/57/1077663557.db2.gz OUDRTCNDSVJNMP-IBGZPJMESA-N 2 1 410.603 2.700 20 0 HFADMP C[NH+](C)CCc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792128466 1077715916 /nfs/dbraw/zinc/71/59/16/1077715916.db2.gz NQXLYKDSZCCLLO-UHFFFAOYSA-N 2 1 404.555 2.672 20 0 HFADMP CC[N@@H+](CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367685 1078015817 /nfs/dbraw/zinc/01/58/17/1078015817.db2.gz HCRQKRVYRBWNCY-HSZRJFAPSA-N 2 1 404.599 2.695 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[N@@H+](C)C4(CCCCC4)C3)cc2)CC1 ZINC001170423290 1078029922 /nfs/dbraw/zinc/02/99/22/1078029922.db2.gz BWMCGSDPUGHXMF-UHFFFAOYSA-N 2 1 413.610 2.717 20 0 HFADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000806789698 1080010040 /nfs/dbraw/zinc/01/00/40/1080010040.db2.gz PEVMMBMSUHRNLH-QFIPXVFZSA-N 2 1 414.594 2.620 20 0 HFADMP COC(=O)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1c1ccc(O)cc1 ZINC001170528040 1080784039 /nfs/dbraw/zinc/78/40/39/1080784039.db2.gz WOICQRUXLWMOTQ-XZOQPEGZSA-N 2 1 410.514 2.613 20 0 HFADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1c1ccc(O)cc1 ZINC001170528040 1080784045 /nfs/dbraw/zinc/78/40/45/1080784045.db2.gz WOICQRUXLWMOTQ-XZOQPEGZSA-N 2 1 410.514 2.613 20 0 HFADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164400304 718842016 /nfs/dbraw/zinc/84/20/16/718842016.db2.gz WBFCZNZJBZLHSS-QGZVFWFLSA-N 2 1 408.575 2.514 20 0 HFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164406472 718864310 /nfs/dbraw/zinc/86/43/10/718864310.db2.gz GYWAUIXVIOBRBU-IAGOWNOFSA-N 2 1 403.596 2.965 20 0 HFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)[nH+]cc21 ZINC001164817984 720158832 /nfs/dbraw/zinc/15/88/32/720158832.db2.gz QUXITNFNJYFGHX-HXOBKFHXSA-N 2 1 412.534 2.924 20 0 HFADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833955 720512802 /nfs/dbraw/zinc/51/28/02/720512802.db2.gz DXJNCYKAGKGJNN-QHAWAJNXSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164833955 720512808 /nfs/dbraw/zinc/51/28/08/720512808.db2.gz DXJNCYKAGKGJNN-QHAWAJNXSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164833955 720512815 /nfs/dbraw/zinc/51/28/15/720512815.db2.gz DXJNCYKAGKGJNN-QHAWAJNXSA-N 2 1 409.582 2.960 20 0 HFADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]2C1 ZINC001164855472 720861173 /nfs/dbraw/zinc/86/11/73/720861173.db2.gz MWMWDWKFOKBZRV-MJGOQNOKSA-N 2 1 408.974 2.504 20 0 HFADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]2C1 ZINC001164855472 720861175 /nfs/dbraw/zinc/86/11/75/720861175.db2.gz MWMWDWKFOKBZRV-MJGOQNOKSA-N 2 1 408.974 2.504 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164784976 721448478 /nfs/dbraw/zinc/44/84/78/721448478.db2.gz FZGPQELHTRAJSK-HXUWFJFHSA-N 2 1 417.598 2.667 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164784976 721448480 /nfs/dbraw/zinc/44/84/80/721448480.db2.gz FZGPQELHTRAJSK-HXUWFJFHSA-N 2 1 417.598 2.667 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]21 ZINC001165025894 721817530 /nfs/dbraw/zinc/81/75/30/721817530.db2.gz ODNWZCDBFWMQMM-ACIOBRDBSA-N 2 1 420.605 2.965 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001165024188 721819715 /nfs/dbraw/zinc/81/97/15/721819715.db2.gz JNEFSGYXJSXMEO-WWPVKYPJSA-N 2 1 406.578 2.623 20 0 HFADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001170445532 1078415044 /nfs/dbraw/zinc/41/50/44/1078415044.db2.gz WXWLUJAZNKQXOL-FQEVSTJZSA-N 2 1 424.545 2.795 20 0 HFADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001170445532 1078415046 /nfs/dbraw/zinc/41/50/46/1078415046.db2.gz WXWLUJAZNKQXOL-FQEVSTJZSA-N 2 1 424.545 2.795 20 0 HFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300867 1076748765 /nfs/dbraw/zinc/74/87/65/1076748765.db2.gz WLWZRTPYTRJBJK-ZZYHAFTGSA-N 2 1 424.589 2.670 20 0 HFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300867 1076748768 /nfs/dbraw/zinc/74/87/68/1076748768.db2.gz WLWZRTPYTRJBJK-ZZYHAFTGSA-N 2 1 424.589 2.670 20 0 HFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000787901685 1077004461 /nfs/dbraw/zinc/00/44/61/1077004461.db2.gz CFPUMVIVHYZEOO-QNGMFEMESA-N 2 1 406.615 2.671 20 0 HFADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)CC1 ZINC000788845758 1077318433 /nfs/dbraw/zinc/31/84/33/1077318433.db2.gz DHSDBYQAKIJNCN-UHFFFAOYSA-N 2 1 424.630 2.898 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000789367968 1077540690 /nfs/dbraw/zinc/54/06/90/1077540690.db2.gz YHKZMPYAFIKVHQ-KRWDZBQOSA-N 2 1 402.539 2.625 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000789367968 1077540693 /nfs/dbraw/zinc/54/06/93/1077540693.db2.gz YHKZMPYAFIKVHQ-KRWDZBQOSA-N 2 1 402.539 2.625 20 0 HFADMP Cc1nccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792043246 1077691143 /nfs/dbraw/zinc/69/11/43/1077691143.db2.gz AJBKFUGLNILSDQ-OAQYLSRUSA-N 2 1 404.518 2.897 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792043246 1077691147 /nfs/dbraw/zinc/69/11/47/1077691147.db2.gz AJBKFUGLNILSDQ-OAQYLSRUSA-N 2 1 404.518 2.897 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792043246 1077691151 /nfs/dbraw/zinc/69/11/51/1077691151.db2.gz AJBKFUGLNILSDQ-OAQYLSRUSA-N 2 1 404.518 2.897 20 0 HFADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792102722 1077696926 /nfs/dbraw/zinc/69/69/26/1077696926.db2.gz PTBINBWJIHXEHG-UHFFFAOYSA-N 2 1 418.582 2.520 20 0 HFADMP CC[NH+](CC)CC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792104272 1077698236 /nfs/dbraw/zinc/69/82/36/1077698236.db2.gz FMGZRNDUBBCVFX-UHFFFAOYSA-N 2 1 410.603 2.510 20 0 HFADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001157716733 1077940569 /nfs/dbraw/zinc/94/05/69/1077940569.db2.gz RIQRBDURMNCPGA-MRXNPFEDSA-N 2 1 400.350 2.652 20 0 HFADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001157716732 1077940621 /nfs/dbraw/zinc/94/06/21/1077940621.db2.gz RIQRBDURMNCPGA-INIZCTEOSA-N 2 1 400.350 2.652 20 0 HFADMP O=C1O[C@]2(CN1C[NH+]1CCC(CN3CCc4ccccc43)CC1)C[NH+]1CCC2CC1 ZINC000790362970 1078004564 /nfs/dbraw/zinc/00/45/64/1078004564.db2.gz QDMIRMFSMYZNMX-DEOSSOPVSA-N 2 1 410.562 2.635 20 0 HFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374017 1078017732 /nfs/dbraw/zinc/01/77/32/1078017732.db2.gz SYPFTTKBPRRIEJ-WMZHIEFXSA-N 2 1 404.599 2.837 20 0 HFADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806789689 1080010122 /nfs/dbraw/zinc/01/01/22/1080010122.db2.gz PDZHCSGYCWDDPC-AOMIVXANSA-N 2 1 418.626 2.813 20 0 HFADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833949 720513405 /nfs/dbraw/zinc/51/34/05/720513405.db2.gz DXJNCYKAGKGJNN-PCCBWWKXSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164833949 720513407 /nfs/dbraw/zinc/51/34/07/720513407.db2.gz DXJNCYKAGKGJNN-PCCBWWKXSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164833949 720513409 /nfs/dbraw/zinc/51/34/09/720513409.db2.gz DXJNCYKAGKGJNN-PCCBWWKXSA-N 2 1 409.582 2.960 20 0 HFADMP C[NH+]1CCC(Oc2ccnc(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c2)CC1 ZINC001164842969 720740861 /nfs/dbraw/zinc/74/08/61/720740861.db2.gz GSKFCLSUULUHNV-UHFFFAOYSA-N 2 1 410.566 2.804 20 0 HFADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164790375 721448581 /nfs/dbraw/zinc/44/85/81/721448581.db2.gz YPSHGOQSECEGHR-FQEVSTJZSA-N 2 1 415.582 2.785 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164790375 721448584 /nfs/dbraw/zinc/44/85/84/721448584.db2.gz YPSHGOQSECEGHR-FQEVSTJZSA-N 2 1 415.582 2.785 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164811245 721589703 /nfs/dbraw/zinc/58/97/03/721589703.db2.gz WXJPDZHIWDMDBO-ZRBLBEILSA-N 2 1 407.562 2.941 20 0 HFADMP C[N@H+]1CCc2nc(Cl)nc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)c2C1 ZINC001164796057 721597326 /nfs/dbraw/zinc/59/73/26/721597326.db2.gz BCGUASITMWXOKS-UHFFFAOYSA-N 2 1 412.900 2.798 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]21 ZINC001165025898 721817735 /nfs/dbraw/zinc/81/77/35/721817735.db2.gz ODNWZCDBFWMQMM-PMVMPFDFSA-N 2 1 420.605 2.965 20 0 HFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165043613 721926326 /nfs/dbraw/zinc/92/63/26/721926326.db2.gz NDSIJNPJWBKTEV-KRWDZBQOSA-N 2 1 412.912 2.958 20 0 HFADMP c1ccc(C[NH+]2CCc3nc(N4C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C4)O5)ccc3C2)cc1 ZINC001164967932 722070104 /nfs/dbraw/zinc/07/01/04/722070104.db2.gz VMKVDTQPOVGFNQ-ZRZAMGCNSA-N 2 1 404.558 2.939 20 0 HFADMP c1ccc(C[N@@H+]2CCc3nc(N4C[C@@H]5C[NH+](CC6CC6)C[C@H](C4)O5)ccc3C2)cc1 ZINC001164967932 722070106 /nfs/dbraw/zinc/07/01/06/722070106.db2.gz VMKVDTQPOVGFNQ-ZRZAMGCNSA-N 2 1 404.558 2.939 20 0 HFADMP c1ccc(C[N@H+]2CCc3nc(N4C[C@@H]5C[NH+](CC6CC6)C[C@H](C4)O5)ccc3C2)cc1 ZINC001164967932 722070108 /nfs/dbraw/zinc/07/01/08/722070108.db2.gz VMKVDTQPOVGFNQ-ZRZAMGCNSA-N 2 1 404.558 2.939 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2)c1 ZINC001164977052 722138889 /nfs/dbraw/zinc/13/88/89/722138889.db2.gz IDYXZHOVAYBZOC-GOTSBHOMSA-N 2 1 407.562 2.800 20 0 HFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000747099515 1078052119 /nfs/dbraw/zinc/05/21/19/1078052119.db2.gz DKWVUTQJMJLZDH-UHFFFAOYSA-N 2 1 417.566 2.999 20 0 HFADMP CC[C@H](Cc1ccc2c(c1)OCO2)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434874 1078210755 /nfs/dbraw/zinc/21/07/55/1078210755.db2.gz APQUZOVEKABLHD-MOPGFXCFSA-N 2 1 412.534 2.888 20 0 HFADMP C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000787611714 1076878420 /nfs/dbraw/zinc/87/84/20/1076878420.db2.gz VSUZPIZNGQTDTM-FXAWDEMLSA-N 2 1 420.985 2.584 20 0 HFADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000788592585 1077216224 /nfs/dbraw/zinc/21/62/24/1077216224.db2.gz LHNBJADQJGSWNS-PKOBYXMFSA-N 2 1 410.603 2.554 20 0 HFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600901 1077219600 /nfs/dbraw/zinc/21/96/00/1077219600.db2.gz FKUKWFVKBRHOIG-IOMROCGXSA-N 2 1 403.567 2.714 20 0 HFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600901 1077219602 /nfs/dbraw/zinc/21/96/02/1077219602.db2.gz FKUKWFVKBRHOIG-IOMROCGXSA-N 2 1 403.567 2.714 20 0 HFADMP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672879 1077262809 /nfs/dbraw/zinc/26/28/09/1077262809.db2.gz SSKVQOQUFGPOGC-FHWLQOOXSA-N 2 1 411.587 2.885 20 0 HFADMP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672879 1077262811 /nfs/dbraw/zinc/26/28/11/1077262811.db2.gz SSKVQOQUFGPOGC-FHWLQOOXSA-N 2 1 411.587 2.885 20 0 HFADMP CCOC(=O)C1([C@H](C)[NH2+]CCc2c[nH+]cn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788755386 1077277603 /nfs/dbraw/zinc/27/76/03/1077277603.db2.gz SFBAHBOORXPZIZ-INIZCTEOSA-N 2 1 408.543 2.521 20 0 HFADMP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789352788 1077513175 /nfs/dbraw/zinc/51/31/75/1077513175.db2.gz KNMPLAZBVNTEIY-UHFFFAOYSA-N 2 1 401.536 2.588 20 0 HFADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+](Cc1cccs1)C1Cc3ccccc3C1)C2=O ZINC000789513622 1077606376 /nfs/dbraw/zinc/60/63/76/1077606376.db2.gz MKEQAGLIVLJLOF-UHFFFAOYSA-N 2 1 424.570 2.691 20 0 HFADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+](Cc1cccs1)C1Cc3ccccc3C1)C2=O ZINC000789513622 1077606382 /nfs/dbraw/zinc/60/63/82/1077606382.db2.gz MKEQAGLIVLJLOF-UHFFFAOYSA-N 2 1 424.570 2.691 20 0 HFADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000792100384 1077696424 /nfs/dbraw/zinc/69/64/24/1077696424.db2.gz GJPNQMSOVGZEEH-UHFFFAOYSA-N 2 1 422.614 2.700 20 0 HFADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103013 1077697760 /nfs/dbraw/zinc/69/77/60/1077697760.db2.gz DQWCARLDSANTQV-AQNXPRMDSA-N 2 1 422.614 2.793 20 0 HFADMP C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784038 /nfs/dbraw/zinc/78/40/38/1077784038.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 2 1 404.551 2.744 20 0 HFADMP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784046 /nfs/dbraw/zinc/78/40/46/1077784046.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784051 /nfs/dbraw/zinc/78/40/51/1077784051.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784054 /nfs/dbraw/zinc/78/40/54/1077784054.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 2 1 404.551 2.744 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000792294112 1077792914 /nfs/dbraw/zinc/79/29/14/1077792914.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 2 1 410.562 2.650 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000792294112 1077792921 /nfs/dbraw/zinc/79/29/21/1077792921.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 2 1 410.562 2.650 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792294112 1077792927 /nfs/dbraw/zinc/79/29/27/1077792927.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 2 1 410.562 2.650 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792294112 1077792933 /nfs/dbraw/zinc/79/29/33/1077792933.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 2 1 410.562 2.650 20 0 HFADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000792331536 1077821761 /nfs/dbraw/zinc/82/17/61/1077821761.db2.gz NCUDIEQUIMAHKQ-IBGZPJMESA-N 2 1 422.614 2.652 20 0 HFADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000792336970 1077824883 /nfs/dbraw/zinc/82/48/83/1077824883.db2.gz YKZPKDIYRVLMSK-RXVVDRJESA-N 2 1 418.582 2.737 20 0 HFADMP C[NH+](C)CCc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792480548 1077876356 /nfs/dbraw/zinc/87/63/56/1077876356.db2.gz YGOASTPOQJRQRF-UHFFFAOYSA-N 2 1 404.555 2.672 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000790129917 1077951385 /nfs/dbraw/zinc/95/13/85/1077951385.db2.gz OGOROIUHFNOHMO-UHFFFAOYSA-N 2 1 423.605 2.831 20 0 HFADMP O=C1O[C@@]2(CN1CN1CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372298 1078017332 /nfs/dbraw/zinc/01/73/32/1078017332.db2.gz PNRSYSJSSXNNSA-NMVJMZGASA-N 2 1 424.589 2.847 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(c4c[nH]nc4C)CC3)cc2)CC1 ZINC000792929304 1078027712 /nfs/dbraw/zinc/02/77/12/1078027712.db2.gz XYZPFFZJLMXLRM-UHFFFAOYSA-N 2 1 410.566 2.678 20 0 HFADMP CCOC(=O)C1=C(Nc2ccc(N3CC[NH2+]CC3)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170523019 1080567259 /nfs/dbraw/zinc/56/72/59/1080567259.db2.gz XJJBVJLGPIOBOX-UHFFFAOYSA-N 2 1 421.545 2.626 20 0 HFADMP CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170523019 1080567265 /nfs/dbraw/zinc/56/72/65/1080567265.db2.gz XJJBVJLGPIOBOX-UHFFFAOYSA-N 2 1 421.545 2.626 20 0 HFADMP CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170523019 1080567274 /nfs/dbraw/zinc/56/72/74/1080567274.db2.gz XJJBVJLGPIOBOX-UHFFFAOYSA-N 2 1 421.545 2.626 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164389892 718824664 /nfs/dbraw/zinc/82/46/64/718824664.db2.gz KLDHHYWVXKKRIB-IRXDYDNUSA-N 2 1 413.591 2.733 20 0 HFADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164400303 718842066 /nfs/dbraw/zinc/84/20/66/718842066.db2.gz WBFCZNZJBZLHSS-KRWDZBQOSA-N 2 1 408.575 2.514 20 0 HFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCOCC45C[NH2+]C5)c32)C1 ZINC001164402185 718860826 /nfs/dbraw/zinc/86/08/26/718860826.db2.gz JCWFJINLLCIRQK-OAHLLOKOSA-N 2 1 413.591 2.591 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822858 720344220 /nfs/dbraw/zinc/34/42/20/720344220.db2.gz FZMGHEYXHBQGOA-FCHUYYIVSA-N 2 1 411.594 2.587 20 0 HFADMP COc1ccc(CN(C)c2cc[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC001164733680 720531649 /nfs/dbraw/zinc/53/16/49/720531649.db2.gz FDZRXIOEMDNQLP-LJQANCHMSA-N 2 1 421.549 2.516 20 0 HFADMP COc1ccc(CN(C)c2cc[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)cc1 ZINC001164733679 720531661 /nfs/dbraw/zinc/53/16/61/720531661.db2.gz FDZRXIOEMDNQLP-IBGZPJMESA-N 2 1 421.549 2.516 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164835658 720590023 /nfs/dbraw/zinc/59/00/23/720590023.db2.gz CEOKGAQNKYNNLS-ZWOKBUDYSA-N 2 1 414.985 2.955 20 0 HFADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164844494 720699751 /nfs/dbraw/zinc/69/97/51/720699751.db2.gz SLZJWLVKRXCCDP-OAQYLSRUSA-N 2 1 423.561 2.573 20 0 HFADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164844494 720699756 /nfs/dbraw/zinc/69/97/56/720699756.db2.gz SLZJWLVKRXCCDP-OAQYLSRUSA-N 2 1 423.561 2.573 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745849 720773406 /nfs/dbraw/zinc/77/34/06/720773406.db2.gz WAQXGFHHKUTZCT-WOJBJXKFSA-N 2 1 416.529 2.967 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745849 720773412 /nfs/dbraw/zinc/77/34/12/720773412.db2.gz WAQXGFHHKUTZCT-WOJBJXKFSA-N 2 1 416.529 2.967 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748783 720800815 /nfs/dbraw/zinc/80/08/15/720800815.db2.gz RLDKGGOLSGOYLL-JAXLGGSGSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748783 720800817 /nfs/dbraw/zinc/80/08/17/720800817.db2.gz RLDKGGOLSGOYLL-JAXLGGSGSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748783 720800818 /nfs/dbraw/zinc/80/08/18/720800818.db2.gz RLDKGGOLSGOYLL-JAXLGGSGSA-N 2 1 408.550 2.760 20 0 HFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164780293 721370660 /nfs/dbraw/zinc/37/06/60/721370660.db2.gz FTENYPWZXLSCTN-HSZRJFAPSA-N 2 1 422.533 2.991 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164785822 721464074 /nfs/dbraw/zinc/46/40/74/721464074.db2.gz NSVLIGVEVQODNT-OAQYLSRUSA-N 2 1 402.583 2.583 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165026621 721804456 /nfs/dbraw/zinc/80/44/56/721804456.db2.gz ROLFYEFPJJAWDU-XFQXTVEOSA-N 2 1 412.969 2.908 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022616 721816305 /nfs/dbraw/zinc/81/63/05/721816305.db2.gz GDRUXGCTHCELCX-SNRMKQJTSA-N 2 1 420.517 2.876 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022616 721816307 /nfs/dbraw/zinc/81/63/07/721816307.db2.gz GDRUXGCTHCELCX-SNRMKQJTSA-N 2 1 420.517 2.876 20 0 HFADMP Clc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975009 722136179 /nfs/dbraw/zinc/13/61/79/722136179.db2.gz DRTVQEGHMYTAJB-DYESRHJHSA-N 2 1 413.953 2.503 20 0 HFADMP CC[C@H](Cc1ccc2c(c1)OCO2)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434877 1078210772 /nfs/dbraw/zinc/21/07/72/1078210772.db2.gz APQUZOVEKABLHD-RTBURBONSA-N 2 1 412.534 2.888 20 0 HFADMP CC[C@@H]1CC([NH2+]CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170471710 1078781531 /nfs/dbraw/zinc/78/15/31/1078781531.db2.gz UQMMIXXZGFICDX-RTBURBONSA-N 2 1 410.603 2.697 20 0 HFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300968 1076748555 /nfs/dbraw/zinc/74/85/55/1076748555.db2.gz ZYODKCHGPKNUDT-FKKSXTGDSA-N 2 1 416.587 2.870 20 0 HFADMP CN(C(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000787481001 1076839455 /nfs/dbraw/zinc/83/94/55/1076839455.db2.gz PCDZGVDVPSWTPW-YADHBBJMSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787481001 1076839461 /nfs/dbraw/zinc/83/94/61/1076839461.db2.gz PCDZGVDVPSWTPW-YADHBBJMSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787481001 1076839468 /nfs/dbraw/zinc/83/94/68/1076839468.db2.gz PCDZGVDVPSWTPW-YADHBBJMSA-N 2 1 410.562 2.519 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000787764100 1076930918 /nfs/dbraw/zinc/93/09/18/1076930918.db2.gz YHXBDNLQOIVZIG-CYBMUJFWSA-N 2 1 402.296 2.678 20 0 HFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000787908778 1076991508 /nfs/dbraw/zinc/99/15/08/1076991508.db2.gz GIQVHIBGQGLFAF-BGYRXZFFSA-N 2 1 416.610 2.581 20 0 HFADMP Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC([NH2+]C(C)C)CC2)cnn1C ZINC000788844089 1077317833 /nfs/dbraw/zinc/31/78/33/1077317833.db2.gz UWBBHUNBIYPJAJ-GOSISDBHSA-N 2 1 407.603 2.874 20 0 HFADMP CC1CC[NH+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792057278 1077663659 /nfs/dbraw/zinc/66/36/59/1077663659.db2.gz OTGCLOWYFVXDPR-UHFFFAOYSA-N 2 1 410.603 2.558 20 0 HFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746842341 1077715972 /nfs/dbraw/zinc/71/59/72/1077715972.db2.gz UVUSEQULYWSOME-UHFFFAOYSA-N 2 1 403.527 2.609 20 0 HFADMP CC[N@@H+](CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376805 1078018687 /nfs/dbraw/zinc/01/86/87/1078018687.db2.gz WHABFFLHTXRFOQ-HSZRJFAPSA-N 2 1 406.615 2.941 20 0 HFADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000806738575 1079929526 /nfs/dbraw/zinc/92/95/26/1079929526.db2.gz ILJVYXWFWFGKCG-FKBYEOEOSA-N 2 1 402.583 2.650 20 0 HFADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000806789696 1080009939 /nfs/dbraw/zinc/00/99/39/1080009939.db2.gz PEVMMBMSUHRNLH-JOCHJYFZSA-N 2 1 414.594 2.620 20 0 HFADMP C[S@](=O)c1c[nH]c2ncnc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)c12 ZINC001170523643 1080593161 /nfs/dbraw/zinc/59/31/61/1080593161.db2.gz AFLYTIHMZKSKKI-PMERELPUSA-N 2 1 422.558 2.605 20 0 HFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001461634938 1126195426 /nfs/dbraw/zinc/19/54/26/1126195426.db2.gz SNFJUQPRYZENQU-SFHVURJKSA-N 2 1 410.381 2.977 20 0 HFADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)nn4)[C@H]3C2)cc1 ZINC001164626037 719107102 /nfs/dbraw/zinc/10/71/02/719107102.db2.gz ICESBWJTVVEKQZ-YADHBBJMSA-N 2 1 407.562 2.956 20 0 HFADMP COc1ccc2nc(Cl)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164684331 719601980 /nfs/dbraw/zinc/60/19/80/719601980.db2.gz OUCLAIHCLOUCRB-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COc1ccc2nc(Cl)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164684331 719601986 /nfs/dbraw/zinc/60/19/86/719601986.db2.gz OUCLAIHCLOUCRB-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP CC(C)n1cnc2c1nc(Cl)nc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681563 719630855 /nfs/dbraw/zinc/63/08/55/719630855.db2.gz ICMFRCHUNITDEF-UHFFFAOYSA-N 2 1 402.934 2.732 20 0 HFADMP CC(C)n1cnc2c1nc(Cl)nc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681563 719630857 /nfs/dbraw/zinc/63/08/57/719630857.db2.gz ICMFRCHUNITDEF-UHFFFAOYSA-N 2 1 402.934 2.732 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164679726 719634416 /nfs/dbraw/zinc/63/44/16/719634416.db2.gz KOHIRKXPJXNVNQ-UHFFFAOYSA-N 2 1 421.883 2.958 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164679726 719634424 /nfs/dbraw/zinc/63/44/24/719634424.db2.gz KOHIRKXPJXNVNQ-UHFFFAOYSA-N 2 1 421.883 2.958 20 0 HFADMP COC(=O)C[C@@H](c1ccnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1)C1CC1 ZINC001164680122 719636759 /nfs/dbraw/zinc/63/67/59/719636759.db2.gz OVUBMDFDKLOWHF-LJQANCHMSA-N 2 1 411.550 2.810 20 0 HFADMP COC(=O)C[C@@H](c1ccnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1)C1CC1 ZINC001164680122 719636773 /nfs/dbraw/zinc/63/67/73/719636773.db2.gz OVUBMDFDKLOWHF-LJQANCHMSA-N 2 1 411.550 2.810 20 0 HFADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164711537 720103486 /nfs/dbraw/zinc/10/34/86/720103486.db2.gz QQBXOTGLUJGJMF-IBGZPJMESA-N 2 1 406.534 2.871 20 0 HFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164711537 720103496 /nfs/dbraw/zinc/10/34/96/720103496.db2.gz QQBXOTGLUJGJMF-IBGZPJMESA-N 2 1 406.534 2.871 20 0 HFADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833932 720513053 /nfs/dbraw/zinc/51/30/53/720513053.db2.gz DXJNCYKAGKGJNN-NJDAHSKKSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164833932 720513055 /nfs/dbraw/zinc/51/30/55/720513055.db2.gz DXJNCYKAGKGJNN-NJDAHSKKSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164833932 720513057 /nfs/dbraw/zinc/51/30/57/720513057.db2.gz DXJNCYKAGKGJNN-NJDAHSKKSA-N 2 1 409.582 2.960 20 0 HFADMP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164812233 721583171 /nfs/dbraw/zinc/58/31/71/721583171.db2.gz ZRBSUOZLEQKNED-AOHZBQACSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164812233 721583173 /nfs/dbraw/zinc/58/31/73/721583173.db2.gz ZRBSUOZLEQKNED-AOHZBQACSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164812233 721583176 /nfs/dbraw/zinc/58/31/76/721583176.db2.gz ZRBSUOZLEQKNED-AOHZBQACSA-N 2 1 407.562 2.939 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165023165 721824622 /nfs/dbraw/zinc/82/46/22/721824622.db2.gz HUXVJKRSCCHIBA-YUXAGFNASA-N 2 1 422.577 2.739 20 0 HFADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)c1 ZINC001164964187 722024003 /nfs/dbraw/zinc/02/40/03/722024003.db2.gz VSTIREXWHJOLKA-UHFFFAOYSA-N 2 1 422.577 2.743 20 0 HFADMP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976458 722103079 /nfs/dbraw/zinc/10/30/79/722103079.db2.gz DGOJBXUPZGXQHO-LEWJYISDSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164976458 722103080 /nfs/dbraw/zinc/10/30/80/722103080.db2.gz DGOJBXUPZGXQHO-LEWJYISDSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164976458 722103081 /nfs/dbraw/zinc/10/30/81/722103081.db2.gz DGOJBXUPZGXQHO-LEWJYISDSA-N 2 1 408.550 2.508 20 0 HFADMP Clc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975015 722136648 /nfs/dbraw/zinc/13/66/48/722136648.db2.gz DRTVQEGHMYTAJB-UWJYYQICSA-N 2 1 413.953 2.503 20 0 HFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(F)(F)C1CCOCC1 ZINC000790738987 1078120639 /nfs/dbraw/zinc/12/06/39/1078120639.db2.gz MVQALPARJAZEPN-UHFFFAOYSA-N 2 1 401.542 2.703 20 0 HFADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001170445534 1078415006 /nfs/dbraw/zinc/41/50/06/1078415006.db2.gz WXWLUJAZNKQXOL-HXUWFJFHSA-N 2 1 424.545 2.795 20 0 HFADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001170445534 1078415007 /nfs/dbraw/zinc/41/50/07/1078415007.db2.gz WXWLUJAZNKQXOL-HXUWFJFHSA-N 2 1 424.545 2.795 20 0 HFADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074992 1078906063 /nfs/dbraw/zinc/90/60/63/1078906063.db2.gz RJPQYTWFRVTBFY-SLFFLAALSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074992 1078906064 /nfs/dbraw/zinc/90/60/64/1078906064.db2.gz RJPQYTWFRVTBFY-SLFFLAALSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074992 1078906067 /nfs/dbraw/zinc/90/60/67/1078906067.db2.gz RJPQYTWFRVTBFY-SLFFLAALSA-N 2 1 408.974 2.885 20 0 HFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000805636048 1079189632 /nfs/dbraw/zinc/18/96/32/1079189632.db2.gz JKUQYXCHOIQTLU-MWXLCCTBSA-N 2 1 420.642 2.917 20 0 HFADMP CON(C)C(=O)Cc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)cc1 ZINC001170492867 1079361409 /nfs/dbraw/zinc/36/14/09/1079361409.db2.gz FRWRZAMLPNSINL-QHGAOEGBSA-N 2 1 424.545 2.621 20 0 HFADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527386 1079436419 /nfs/dbraw/zinc/43/64/19/1079436419.db2.gz DYSZWYZEGJHTBL-ZRCGQRJVSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527386 1079436423 /nfs/dbraw/zinc/43/64/23/1079436423.db2.gz DYSZWYZEGJHTBL-ZRCGQRJVSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527386 1079436426 /nfs/dbraw/zinc/43/64/26/1079436426.db2.gz DYSZWYZEGJHTBL-ZRCGQRJVSA-N 2 1 403.542 2.701 20 0 HFADMP C[C@H](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000746764838 1077303639 /nfs/dbraw/zinc/30/36/39/1077303639.db2.gz BUFAUJQNHVPTIE-KNQAVFIVSA-N 2 1 402.583 2.840 20 0 HFADMP CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000791735888 1077544409 /nfs/dbraw/zinc/54/44/09/1077544409.db2.gz ZWWZKDUNIJXGFJ-NHCUHLMSSA-N 2 1 417.594 2.869 20 0 HFADMP Cc1ccc([C@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000792096247 1077713478 /nfs/dbraw/zinc/71/34/78/1077713478.db2.gz FIJQLNMUEVRXTI-FQEVSTJZSA-N 2 1 418.582 2.657 20 0 HFADMP CC(C)CC[NH+]1CCC(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792215669 1077769068 /nfs/dbraw/zinc/76/90/68/1077769068.db2.gz KZMPJEKNOWCLOU-UHFFFAOYSA-N 2 1 424.630 2.804 20 0 HFADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792304497 1077797593 /nfs/dbraw/zinc/79/75/93/1077797593.db2.gz OPDOANNTAPGPNR-LJQANCHMSA-N 2 1 418.582 2.566 20 0 HFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792304497 1077797598 /nfs/dbraw/zinc/79/75/98/1077797598.db2.gz OPDOANNTAPGPNR-LJQANCHMSA-N 2 1 418.582 2.566 20 0 HFADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308807 1077799443 /nfs/dbraw/zinc/79/94/43/1077799443.db2.gz HNGVXMMNNDHLME-RTBURBONSA-N 2 1 422.614 2.698 20 0 HFADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308807 1077799450 /nfs/dbraw/zinc/79/94/50/1077799450.db2.gz HNGVXMMNNDHLME-RTBURBONSA-N 2 1 422.614 2.698 20 0 HFADMP CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2[nH+]cccc2N2CC[NH2+]CC2)OC(C)(C)O1 ZINC001170207542 1077906468 /nfs/dbraw/zinc/90/64/68/1077906468.db2.gz BEOAJXZFZMTXKO-SJORKVTESA-N 2 1 420.554 2.545 20 0 HFADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364063 1078005027 /nfs/dbraw/zinc/00/50/27/1078005027.db2.gz DGCAWXNLVNCOMT-XUZZJYLKSA-N 2 1 412.578 2.705 20 0 HFADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364066 1078005080 /nfs/dbraw/zinc/00/50/80/1078005080.db2.gz DGCAWXNLVNCOMT-ZJSXRUAMSA-N 2 1 412.578 2.705 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835652 720590216 /nfs/dbraw/zinc/59/02/16/720590216.db2.gz CEOKGAQNKYNNLS-ABSDTBQOSA-N 2 1 414.985 2.955 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742531 720843303 /nfs/dbraw/zinc/84/33/03/720843303.db2.gz HGRNZJAHJOVEEG-QKNQBKEWSA-N 2 1 420.565 2.983 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742531 720843307 /nfs/dbraw/zinc/84/33/07/720843307.db2.gz HGRNZJAHJOVEEG-QKNQBKEWSA-N 2 1 420.565 2.983 20 0 HFADMP Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(N2CCCC2)[nH+]1 ZINC001164958033 722052731 /nfs/dbraw/zinc/05/27/31/722052731.db2.gz ASZHXLKZSBPWGH-UHFFFAOYSA-N 2 1 422.577 2.899 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]1 ZINC001164958033 722052734 /nfs/dbraw/zinc/05/27/34/722052734.db2.gz ASZHXLKZSBPWGH-UHFFFAOYSA-N 2 1 422.577 2.899 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]1 ZINC001164958033 722052737 /nfs/dbraw/zinc/05/27/37/722052737.db2.gz ASZHXLKZSBPWGH-UHFFFAOYSA-N 2 1 422.577 2.899 20 0 HFADMP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000793700809 1078273755 /nfs/dbraw/zinc/27/37/55/1078273755.db2.gz OZBLZWGUFDZBTH-VWPQPMDRSA-N 2 1 414.594 2.661 20 0 HFADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001170437311 1078293300 /nfs/dbraw/zinc/29/33/00/1078293300.db2.gz MJZDCZPMZUJGMS-FQEVSTJZSA-N 2 1 411.546 2.561 20 0 HFADMP CSC[C@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797918 1078301212 /nfs/dbraw/zinc/30/12/12/1078301212.db2.gz RTXBNVMAPPQBCU-UGKGYDQZSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797918 1078301216 /nfs/dbraw/zinc/30/12/16/1078301216.db2.gz RTXBNVMAPPQBCU-UGKGYDQZSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797918 1078301220 /nfs/dbraw/zinc/30/12/20/1078301220.db2.gz RTXBNVMAPPQBCU-UGKGYDQZSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797918 1078301223 /nfs/dbraw/zinc/30/12/23/1078301223.db2.gz RTXBNVMAPPQBCU-UGKGYDQZSA-N 2 1 416.591 2.606 20 0 HFADMP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001130169747 1079050247 /nfs/dbraw/zinc/05/02/47/1079050247.db2.gz WZWABANKZIYQER-UHFFFAOYSA-N 2 1 424.343 2.749 20 0 HFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303302 1076752144 /nfs/dbraw/zinc/75/21/44/1076752144.db2.gz KYDWMALSXHAFDZ-CRAIPNDOSA-N 2 1 404.523 2.910 20 0 HFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303302 1076752148 /nfs/dbraw/zinc/75/21/48/1076752148.db2.gz KYDWMALSXHAFDZ-CRAIPNDOSA-N 2 1 404.523 2.910 20 0 HFADMP C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000788480617 1077174552 /nfs/dbraw/zinc/17/45/52/1077174552.db2.gz BNQGAFPSDNUDQA-QFIPXVFZSA-N 2 1 416.610 2.993 20 0 HFADMP C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000788480617 1077174555 /nfs/dbraw/zinc/17/45/55/1077174555.db2.gz BNQGAFPSDNUDQA-QFIPXVFZSA-N 2 1 416.610 2.993 20 0 HFADMP C[NH+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788480617 1077174559 /nfs/dbraw/zinc/17/45/59/1077174559.db2.gz BNQGAFPSDNUDQA-QFIPXVFZSA-N 2 1 416.610 2.993 20 0 HFADMP C[NH+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788480617 1077174562 /nfs/dbraw/zinc/17/45/62/1077174562.db2.gz BNQGAFPSDNUDQA-QFIPXVFZSA-N 2 1 416.610 2.993 20 0 HFADMP Cc1cnc2c(N(CC[NH3+])c3nc(Cl)nc4c3C[NH2+]C4)nc3ccc(C)cc3n12 ZINC001170146459 1077258053 /nfs/dbraw/zinc/25/80/53/1077258053.db2.gz NORMETPDPUYALB-UHFFFAOYSA-N 2 1 408.897 2.643 20 0 HFADMP Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]2CCC([NH2+]C(C)C)CC2)cnn1C ZINC000788844091 1077317888 /nfs/dbraw/zinc/31/78/88/1077317888.db2.gz UWBBHUNBIYPJAJ-SFHVURJKSA-N 2 1 407.603 2.874 20 0 HFADMP CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000791735890 1077544527 /nfs/dbraw/zinc/54/45/27/1077544527.db2.gz ZWWZKDUNIJXGFJ-OYRHEFFESA-N 2 1 417.594 2.869 20 0 HFADMP CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000791735890 1077544531 /nfs/dbraw/zinc/54/45/31/1077544531.db2.gz ZWWZKDUNIJXGFJ-OYRHEFFESA-N 2 1 417.594 2.869 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814714 1077582274 /nfs/dbraw/zinc/58/22/74/1077582274.db2.gz CGUISMANAIEWOP-VXKWHMMOSA-N 2 1 409.530 2.904 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814714 1077582279 /nfs/dbraw/zinc/58/22/79/1077582279.db2.gz CGUISMANAIEWOP-VXKWHMMOSA-N 2 1 409.530 2.904 20 0 HFADMP CC[NH+]1CCN(c2ccc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)cc2F)CC1 ZINC000791941182 1077601400 /nfs/dbraw/zinc/60/14/00/1077601400.db2.gz YZXQQEQLXPPVAI-UHFFFAOYSA-N 2 1 420.573 2.541 20 0 HFADMP CCCC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792170003 1077733329 /nfs/dbraw/zinc/73/33/29/1077733329.db2.gz BCFLPVIYNNKQBP-UHFFFAOYSA-N 2 1 424.630 2.900 20 0 HFADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792170003 1077733333 /nfs/dbraw/zinc/73/33/33/1077733333.db2.gz BCFLPVIYNNKQBP-UHFFFAOYSA-N 2 1 424.630 2.900 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCOC)[C@@H]3CC[C@H](C)C3)cc2)CC1 ZINC000792463724 1077859254 /nfs/dbraw/zinc/85/92/54/1077859254.db2.gz CJJDKVRGGCYDOB-SIKLNZKXSA-N 2 1 402.583 2.904 20 0 HFADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001170275506 1077926479 /nfs/dbraw/zinc/92/64/79/1077926479.db2.gz WSDOBYLTSXPTIM-SFHVURJKSA-N 2 1 407.986 2.774 20 0 HFADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001170275506 1077926481 /nfs/dbraw/zinc/92/64/81/1077926481.db2.gz WSDOBYLTSXPTIM-SFHVURJKSA-N 2 1 407.986 2.774 20 0 HFADMP O=C1O[C@@]2(CN1CN1CC[C@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372500 1078017355 /nfs/dbraw/zinc/01/73/55/1078017355.db2.gz WLHZYPXYABRUES-JWQCQUIFSA-N 2 1 424.589 2.849 20 0 HFADMP CC[N@@H+](CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376852 1078018521 /nfs/dbraw/zinc/01/85/21/1078018521.db2.gz WHABFFLHTXRFOQ-QHCPKHFHSA-N 3 1 406.615 2.941 20 0 HFADMP CC1(C)C[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000790448193 1078034535 /nfs/dbraw/zinc/03/45/35/1078034535.db2.gz TWHWAMOBGNEHPE-HSZRJFAPSA-N 2 1 422.573 2.650 20 0 HFADMP CC1(C)C[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000790448193 1078034541 /nfs/dbraw/zinc/03/45/41/1078034541.db2.gz TWHWAMOBGNEHPE-HSZRJFAPSA-N 2 1 422.573 2.650 20 0 HFADMP Cc1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc(N2CCOCC2)[nH+]1 ZINC001170524951 1080641618 /nfs/dbraw/zinc/64/16/18/1080641618.db2.gz POEIKTSSJYLNCV-UHFFFAOYSA-N 3 1 420.561 2.531 20 0 HFADMP CCOC(=O)c1c(Cl)cc(C)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684212 719605031 /nfs/dbraw/zinc/60/50/31/719605031.db2.gz MZMHBZFRQWBLNL-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP CCOC(=O)c1c(Cl)cc(C)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684212 719605040 /nfs/dbraw/zinc/60/50/40/719605040.db2.gz MZMHBZFRQWBLNL-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP COc1cc2nc(C)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164681616 719623482 /nfs/dbraw/zinc/62/34/82/719623482.db2.gz JCTOIFMAVBFRLX-UHFFFAOYSA-N 2 1 410.522 2.627 20 0 HFADMP COc1cc2nc(C)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164681616 719623488 /nfs/dbraw/zinc/62/34/88/719623488.db2.gz JCTOIFMAVBFRLX-UHFFFAOYSA-N 2 1 410.522 2.627 20 0 HFADMP CCOC(=O)c1cc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2s1 ZINC001164681240 719631704 /nfs/dbraw/zinc/63/17/04/719631704.db2.gz DZSHKYSRTNLQBY-UHFFFAOYSA-N 2 1 414.535 2.540 20 0 HFADMP CCOC(=O)c1cc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2s1 ZINC001164681240 719631714 /nfs/dbraw/zinc/63/17/14/719631714.db2.gz DZSHKYSRTNLQBY-UHFFFAOYSA-N 2 1 414.535 2.540 20 0 HFADMP COc1ccc(OC)c(-c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c1 ZINC001164679518 719645015 /nfs/dbraw/zinc/64/50/15/719645015.db2.gz DXSCOAXCNIIPJL-UHFFFAOYSA-N 2 1 422.533 2.832 20 0 HFADMP COc1ccc(OC)c(-c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c1 ZINC001164679518 719645020 /nfs/dbraw/zinc/64/50/20/719645020.db2.gz DXSCOAXCNIIPJL-UHFFFAOYSA-N 2 1 422.533 2.832 20 0 HFADMP Clc1nc2c(c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n1)CC[NH2+]C2 ZINC001164694736 719888471 /nfs/dbraw/zinc/88/84/71/719888471.db2.gz DPUHAWCFTCTEBV-UHFFFAOYSA-N 2 1 419.982 2.709 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816620 720151797 /nfs/dbraw/zinc/15/17/97/720151797.db2.gz LWZQXAQFHJRBKI-ZJSXRUAMSA-N 2 1 414.594 2.741 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810817 720200093 /nfs/dbraw/zinc/20/00/93/720200093.db2.gz CYDQZPVAZVEMNT-XUZZJYLKSA-N 2 1 414.594 2.645 20 0 HFADMP Cc1cccc2cc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164717634 720201777 /nfs/dbraw/zinc/20/17/77/720201777.db2.gz VNRIRVMQDLGECJ-HXUWFJFHSA-N 2 1 406.534 2.888 20 0 HFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164750355 720845871 /nfs/dbraw/zinc/84/58/71/720845871.db2.gz XIFWKOIULOPTDG-VABKMULXSA-N 2 1 421.593 2.648 20 0 HFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750202 720858091 /nfs/dbraw/zinc/85/80/91/720858091.db2.gz OQNTTWRAEAHCGW-XPWALMASSA-N 2 1 421.593 2.648 20 0 HFADMP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164812241 721582771 /nfs/dbraw/zinc/58/27/71/721582771.db2.gz ZRBSUOZLEQKNED-WPFOTENUSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164812241 721582774 /nfs/dbraw/zinc/58/27/74/721582774.db2.gz ZRBSUOZLEQKNED-WPFOTENUSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164812241 721582777 /nfs/dbraw/zinc/58/27/77/721582777.db2.gz ZRBSUOZLEQKNED-WPFOTENUSA-N 2 1 407.562 2.939 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001165025900 721817546 /nfs/dbraw/zinc/81/75/46/721817546.db2.gz ODNWZCDBFWMQMM-WWNPGLIZSA-N 2 1 420.605 2.965 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3C2)c1 ZINC001164973869 722155660 /nfs/dbraw/zinc/15/56/60/722155660.db2.gz NEOSSUBVRGTBLN-JTHBVZDNSA-N 2 1 407.562 2.800 20 0 HFADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164995928 722208311 /nfs/dbraw/zinc/20/83/11/722208311.db2.gz PYZNSYZUECXTHI-QHCPKHFHSA-N 2 1 411.525 2.991 20 0 HFADMP CN1CC[NH+](CC2(C)CC[NH+](CN3CC[C@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793512551 1078196129 /nfs/dbraw/zinc/19/61/29/1078196129.db2.gz STFMYKDSJFTYBN-QHCPKHFHSA-N 2 1 412.622 2.775 20 0 HFADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC001170076046 1076903999 /nfs/dbraw/zinc/90/39/99/1076903999.db2.gz XZNDIXAYFCYNSN-FQEVSTJZSA-N 2 1 407.580 2.549 20 0 HFADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000787880948 1076975460 /nfs/dbraw/zinc/97/54/60/1076975460.db2.gz XYWQCXLYBUJEGQ-UHFFFAOYSA-N 2 1 420.517 2.672 20 0 HFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787904241 1076988564 /nfs/dbraw/zinc/98/85/64/1076988564.db2.gz QHXIGBILTBNGSZ-FQEVSTJZSA-N 2 1 420.642 2.918 20 0 HFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787909226 1076990934 /nfs/dbraw/zinc/99/09/34/1076990934.db2.gz IPUHXKXIMLTYKS-FDRBHKFBSA-N 2 1 420.642 2.774 20 0 HFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746736368 1077076125 /nfs/dbraw/zinc/07/61/25/1077076125.db2.gz MIHSZUMJSFYUNB-LJQANCHMSA-N 2 1 417.554 2.831 20 0 HFADMP C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000788480616 1077174615 /nfs/dbraw/zinc/17/46/15/1077174615.db2.gz BNQGAFPSDNUDQA-JOCHJYFZSA-N 2 1 416.610 2.993 20 0 HFADMP C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000788480616 1077174618 /nfs/dbraw/zinc/17/46/18/1077174618.db2.gz BNQGAFPSDNUDQA-JOCHJYFZSA-N 2 1 416.610 2.993 20 0 HFADMP C[NH+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788480616 1077174622 /nfs/dbraw/zinc/17/46/22/1077174622.db2.gz BNQGAFPSDNUDQA-JOCHJYFZSA-N 2 1 416.610 2.993 20 0 HFADMP C[NH+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788480616 1077174626 /nfs/dbraw/zinc/17/46/26/1077174626.db2.gz BNQGAFPSDNUDQA-JOCHJYFZSA-N 2 1 416.610 2.993 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454670 1077580754 /nfs/dbraw/zinc/58/07/54/1077580754.db2.gz DJYRUDUPVZGQCM-DEOSSOPVSA-N 2 1 424.589 2.957 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454670 1077580759 /nfs/dbraw/zinc/58/07/59/1077580759.db2.gz DJYRUDUPVZGQCM-DEOSSOPVSA-N 2 1 424.589 2.957 20 0 HFADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308805 1077799521 /nfs/dbraw/zinc/79/95/21/1077799521.db2.gz HNGVXMMNNDHLME-OALUTQOASA-N 2 1 422.614 2.698 20 0 HFADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308805 1077799527 /nfs/dbraw/zinc/79/95/27/1077799527.db2.gz HNGVXMMNNDHLME-OALUTQOASA-N 2 1 422.614 2.698 20 0 HFADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164646102 719309380 /nfs/dbraw/zinc/30/93/80/719309380.db2.gz BCSCWDSOIJJCTO-UHFFFAOYSA-N 2 1 417.989 2.999 20 0 HFADMP C[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673763 719443143 /nfs/dbraw/zinc/44/31/43/719443143.db2.gz UEJILIYTPFRYTG-DLBZAZTESA-N 2 1 413.591 2.685 20 0 HFADMP C[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673763 719443146 /nfs/dbraw/zinc/44/31/46/719443146.db2.gz UEJILIYTPFRYTG-DLBZAZTESA-N 2 1 413.591 2.685 20 0 HFADMP COCc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccccc2)n1 ZINC001164683112 719604855 /nfs/dbraw/zinc/60/48/55/719604855.db2.gz HKVNEFKTUGYMBQ-UHFFFAOYSA-N 2 1 406.534 2.962 20 0 HFADMP COCc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccccc2)n1 ZINC001164683112 719604862 /nfs/dbraw/zinc/60/48/62/719604862.db2.gz HKVNEFKTUGYMBQ-UHFFFAOYSA-N 2 1 406.534 2.962 20 0 HFADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH+]cccc3N)CC2)c2ccccc21 ZINC001164680330 719662712 /nfs/dbraw/zinc/66/27/12/719662712.db2.gz FQPDYGAJEAHLSS-GOSISDBHSA-N 2 1 407.562 2.757 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810395 720095158 /nfs/dbraw/zinc/09/51/58/720095158.db2.gz LMSJENCUYQTASQ-PGRDOPGGSA-N 2 1 420.001 2.782 20 0 HFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)[nH+]cc21 ZINC001164817990 720158987 /nfs/dbraw/zinc/15/89/87/720158987.db2.gz QUXITNFNJYFGHX-UZUQRXQVSA-N 2 1 412.534 2.924 20 0 HFADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164844493 720699500 /nfs/dbraw/zinc/69/95/00/720699500.db2.gz SLZJWLVKRXCCDP-NRFANRHFSA-N 2 1 423.561 2.573 20 0 HFADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164844493 720699504 /nfs/dbraw/zinc/69/95/04/720699504.db2.gz SLZJWLVKRXCCDP-NRFANRHFSA-N 2 1 423.561 2.573 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164791311 721469300 /nfs/dbraw/zinc/46/93/00/721469300.db2.gz WXXLMNGORLGOEP-QFIPXVFZSA-N 2 1 416.610 2.877 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164811239 721589961 /nfs/dbraw/zinc/58/99/61/721589961.db2.gz WXJPDZHIWDMDBO-DNVJHFABSA-N 2 1 407.562 2.941 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001165025896 721817583 /nfs/dbraw/zinc/81/75/83/721817583.db2.gz ODNWZCDBFWMQMM-MDNUFGMLSA-N 2 1 420.605 2.965 20 0 HFADMP Cc1ccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959867 722025401 /nfs/dbraw/zinc/02/54/01/722025401.db2.gz JCUSKQTXXYINSN-OFNKIYASSA-N 2 1 408.550 2.823 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164981586 722098884 /nfs/dbraw/zinc/09/88/84/722098884.db2.gz LTHSWMALDKLMKV-SFTDATJTSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976469 722103024 /nfs/dbraw/zinc/10/30/24/722103024.db2.gz DGOJBXUPZGXQHO-SFTDATJTSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164976469 722103025 /nfs/dbraw/zinc/10/30/25/722103025.db2.gz DGOJBXUPZGXQHO-SFTDATJTSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164976469 722103026 /nfs/dbraw/zinc/10/30/26/722103026.db2.gz DGOJBXUPZGXQHO-SFTDATJTSA-N 2 1 408.550 2.508 20 0 HFADMP CN1CCN(c2ncnc3c2CC[N@H+](C(C)(C)c2ccnc(Cl)c2)CC3)CC1 ZINC001165005509 722240375 /nfs/dbraw/zinc/24/03/75/722240375.db2.gz UGOQYXANBQRGAY-UHFFFAOYSA-N 2 1 400.958 2.613 20 0 HFADMP C[NH+](C)CCNC(=S)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793258342 1078112448 /nfs/dbraw/zinc/11/24/48/1078112448.db2.gz XWGKBEGNLBYNNK-QFIPXVFZSA-N 2 1 411.619 2.984 20 0 HFADMP CC[C@@H](Cc1ccc2c(c1)OCO2)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434876 1078210738 /nfs/dbraw/zinc/21/07/38/1078210738.db2.gz APQUZOVEKABLHD-RBUKOAKNSA-N 2 1 412.534 2.888 20 0 HFADMP CC[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170471708 1078781574 /nfs/dbraw/zinc/78/15/74/1078781574.db2.gz UQMMIXXZGFICDX-LDLYASANSA-N 2 1 410.603 2.697 20 0 HFADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc(Cn4cncn4)cc3)C=C2)CC1 ZINC001170493252 1079346370 /nfs/dbraw/zinc/34/63/70/1079346370.db2.gz JSSKECLYRISQQS-QHGAOEGBSA-N 2 1 404.518 2.698 20 0 HFADMP C[C@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000787611723 1076878330 /nfs/dbraw/zinc/87/83/30/1076878330.db2.gz VSUZPIZNGQTDTM-YLJYHZDGSA-N 2 1 420.985 2.584 20 0 HFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787907748 1076990643 /nfs/dbraw/zinc/99/06/43/1076990643.db2.gz DLHVRMNLBYWKMD-QNGMFEMESA-N 2 1 406.615 2.528 20 0 HFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788227227 1077083467 /nfs/dbraw/zinc/08/34/67/1077083467.db2.gz LYDORXQBKYMXHX-UHFFFAOYSA-N 2 1 421.626 2.965 20 0 HFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000788594692 1077216710 /nfs/dbraw/zinc/21/67/10/1077216710.db2.gz XPQDSQPLKCJUQJ-LJQANCHMSA-N 2 1 416.566 2.572 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000789367969 1077540761 /nfs/dbraw/zinc/54/07/61/1077540761.db2.gz YHKZMPYAFIKVHQ-QGZVFWFLSA-N 2 1 402.539 2.625 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000789367969 1077540765 /nfs/dbraw/zinc/54/07/65/1077540765.db2.gz YHKZMPYAFIKVHQ-QGZVFWFLSA-N 2 1 402.539 2.625 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000746808141 1077566142 /nfs/dbraw/zinc/56/61/42/1077566142.db2.gz FWHIICCZDRNCOP-QGZVFWFLSA-N 2 1 420.517 2.541 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000746808141 1077566147 /nfs/dbraw/zinc/56/61/47/1077566147.db2.gz FWHIICCZDRNCOP-QGZVFWFLSA-N 2 1 420.517 2.541 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCOC)[C@@H]3CC[C@@H](C)C3)cc2)CC1 ZINC000792463717 1077858921 /nfs/dbraw/zinc/85/89/21/1077858921.db2.gz CJJDKVRGGCYDOB-DENIHFKCSA-N 2 1 402.583 2.904 20 0 HFADMP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000790186635 1077966376 /nfs/dbraw/zinc/96/63/76/1077966376.db2.gz RFFGBSOIKNUVKH-UHFFFAOYSA-N 2 1 422.533 2.858 20 0 HFADMP O=C1O[C@]2(CN1CN1CC[C@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372504 1078017407 /nfs/dbraw/zinc/01/74/07/1078017407.db2.gz WLHZYPXYABRUES-RPBOFIJWSA-N 2 1 424.589 2.849 20 0 HFADMP CCC[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1Cc1ccccc1 ZINC000790377012 1078018462 /nfs/dbraw/zinc/01/84/62/1078018462.db2.gz WTIZXZYUYSEBTM-ISKFKSNPSA-N 2 1 412.578 2.847 20 0 HFADMP COC(=O)c1c2cnn(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2ccc1Br ZINC000790443659 1078033382 /nfs/dbraw/zinc/03/33/82/1078033382.db2.gz ZYSKRBMLKFATML-CZUORRHYSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2ccc1Br ZINC000790443659 1078033387 /nfs/dbraw/zinc/03/33/87/1078033387.db2.gz ZYSKRBMLKFATML-CZUORRHYSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443659 1078033392 /nfs/dbraw/zinc/03/33/92/1078033392.db2.gz ZYSKRBMLKFATML-CZUORRHYSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443659 1078033398 /nfs/dbraw/zinc/03/33/98/1078033398.db2.gz ZYSKRBMLKFATML-CZUORRHYSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2ccc1Br ZINC000790443660 1078033531 /nfs/dbraw/zinc/03/35/31/1078033531.db2.gz ZYSKRBMLKFATML-XJKSGUPXSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2ccc1Br ZINC000790443660 1078033541 /nfs/dbraw/zinc/03/35/41/1078033541.db2.gz ZYSKRBMLKFATML-XJKSGUPXSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443660 1078033547 /nfs/dbraw/zinc/03/35/47/1078033547.db2.gz ZYSKRBMLKFATML-XJKSGUPXSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443660 1078033550 /nfs/dbraw/zinc/03/35/50/1078033550.db2.gz ZYSKRBMLKFATML-XJKSGUPXSA-N 2 1 421.339 2.959 20 0 HFADMP COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC001198230187 1126155817 /nfs/dbraw/zinc/15/58/17/1126155817.db2.gz PHQVYPHZOAENLX-DEOSSOPVSA-N 2 1 414.546 2.619 20 0 HFADMP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)CC1 ZINC001164614091 719021984 /nfs/dbraw/zinc/02/19/84/719021984.db2.gz NBBHJONOZDJEEF-UHFFFAOYSA-N 2 1 401.555 2.629 20 0 HFADMP CCOC(=O)c1cnc(Cl)c(C)c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682068 719624886 /nfs/dbraw/zinc/62/48/86/719624886.db2.gz LRBGXDXUQNEARM-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP CCOC(=O)c1cnc(Cl)c(C)c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682068 719624893 /nfs/dbraw/zinc/62/48/93/719624893.db2.gz LRBGXDXUQNEARM-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(N)c[nH+]3)CC2)c2ccccc21 ZINC001164680292 719659224 /nfs/dbraw/zinc/65/92/24/719659224.db2.gz FAHJYZOSQQIUOA-GOSISDBHSA-N 2 1 407.562 2.757 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810394 720095875 /nfs/dbraw/zinc/09/58/75/720095875.db2.gz LMSJENCUYQTASQ-GCJKJVERSA-N 2 1 420.001 2.782 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816850 720193591 /nfs/dbraw/zinc/19/35/91/720193591.db2.gz NEVKCWGYEROGFH-RDPSFJRHSA-N 2 1 414.594 2.739 20 0 HFADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816850 720193593 /nfs/dbraw/zinc/19/35/93/720193593.db2.gz NEVKCWGYEROGFH-RDPSFJRHSA-N 3 1 414.594 2.739 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816850 720193598 /nfs/dbraw/zinc/19/35/98/720193598.db2.gz NEVKCWGYEROGFH-RDPSFJRHSA-N 3 1 414.594 2.739 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810820 720200480 /nfs/dbraw/zinc/20/04/80/720200480.db2.gz CYDQZPVAZVEMNT-ZJSXRUAMSA-N 2 1 414.594 2.645 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164835864 720576219 /nfs/dbraw/zinc/57/62/19/720576219.db2.gz IPZVJQLELVTSKL-ONTIZHBOSA-N 2 1 409.582 2.518 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745847 720774006 /nfs/dbraw/zinc/77/40/06/720774006.db2.gz WAQXGFHHKUTZCT-VQTJNVASSA-N 2 1 416.529 2.967 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745847 720774009 /nfs/dbraw/zinc/77/40/09/720774009.db2.gz WAQXGFHHKUTZCT-VQTJNVASSA-N 2 1 416.529 2.967 20 0 HFADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750200 720858645 /nfs/dbraw/zinc/85/86/45/720858645.db2.gz OQNTTWRAEAHCGW-DNVJHFABSA-N 2 1 421.593 2.648 20 0 HFADMP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164771802 721143719 /nfs/dbraw/zinc/14/37/19/721143719.db2.gz UFDXBPCRFDGVKM-MOPGFXCFSA-N 2 1 407.518 2.944 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164784520 721448292 /nfs/dbraw/zinc/44/82/92/721448292.db2.gz FZGPQELHTRAJSK-FQEVSTJZSA-N 2 1 417.598 2.667 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164784520 721448295 /nfs/dbraw/zinc/44/82/95/721448295.db2.gz FZGPQELHTRAJSK-FQEVSTJZSA-N 2 1 417.598 2.667 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@@H]21 ZINC001165021367 721799869 /nfs/dbraw/zinc/79/98/69/721799869.db2.gz GNZMRADCHFOSQD-MOXGXCLJSA-N 2 1 412.969 2.908 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]21 ZINC001165021369 721800028 /nfs/dbraw/zinc/80/00/28/721800028.db2.gz GNZMRADCHFOSQD-XFQXTVEOSA-N 2 1 412.969 2.908 20 0 HFADMP CCc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164956235 722020003 /nfs/dbraw/zinc/02/00/03/722020003.db2.gz ZMWRLRHQPSUKOW-UHFFFAOYSA-N 2 1 422.577 2.763 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164981585 722098989 /nfs/dbraw/zinc/09/89/89/722098989.db2.gz LTHSWMALDKLMKV-RTWAWAEBSA-N 2 1 408.550 2.508 20 0 HFADMP CC[C@@H](Cc1ccc2c(c1)OCO2)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434875 1078210703 /nfs/dbraw/zinc/21/07/03/1078210703.db2.gz APQUZOVEKABLHD-OALUTQOASA-N 2 1 412.534 2.888 20 0 HFADMP CSC[C@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797917 1078301274 /nfs/dbraw/zinc/30/12/74/1078301274.db2.gz RTXBNVMAPPQBCU-SIKLNZKXSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797917 1078301278 /nfs/dbraw/zinc/30/12/78/1078301278.db2.gz RTXBNVMAPPQBCU-SIKLNZKXSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797917 1078301281 /nfs/dbraw/zinc/30/12/81/1078301281.db2.gz RTXBNVMAPPQBCU-SIKLNZKXSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797917 1078301286 /nfs/dbraw/zinc/30/12/86/1078301286.db2.gz RTXBNVMAPPQBCU-SIKLNZKXSA-N 2 1 416.591 2.606 20 0 HFADMP C[C@H](OC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000805610687 1079174572 /nfs/dbraw/zinc/17/45/72/1079174572.db2.gz IKJMKWKEYVLYDQ-SFHVURJKSA-N 2 1 401.551 2.573 20 0 HFADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527383 1079436506 /nfs/dbraw/zinc/43/65/06/1079436506.db2.gz DYSZWYZEGJHTBL-MIZPHKNDSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527383 1079436510 /nfs/dbraw/zinc/43/65/10/1079436510.db2.gz DYSZWYZEGJHTBL-MIZPHKNDSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527383 1079436513 /nfs/dbraw/zinc/43/65/13/1079436513.db2.gz DYSZWYZEGJHTBL-MIZPHKNDSA-N 2 1 403.542 2.701 20 0 HFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@@H](C)C1 ZINC000787301662 1076749596 /nfs/dbraw/zinc/74/95/96/1076749596.db2.gz CBIXICIIMRNXTL-HRAATJIYSA-N 2 1 415.534 2.978 20 0 HFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@@H](C)C1 ZINC000787301662 1076749605 /nfs/dbraw/zinc/74/96/05/1076749605.db2.gz CBIXICIIMRNXTL-HRAATJIYSA-N 2 1 415.534 2.978 20 0 HFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787907746 1076990638 /nfs/dbraw/zinc/99/06/38/1076990638.db2.gz DLHVRMNLBYWKMD-MWXLCCTBSA-N 2 1 406.615 2.528 20 0 HFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000788594689 1077216785 /nfs/dbraw/zinc/21/67/85/1077216785.db2.gz XPQDSQPLKCJUQJ-IBGZPJMESA-N 2 1 416.566 2.572 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC000788732070 1077284443 /nfs/dbraw/zinc/28/44/43/1077284443.db2.gz CSGDRTVZGYEHAI-FQEVSTJZSA-N 2 1 401.551 2.742 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454672 1077580735 /nfs/dbraw/zinc/58/07/35/1077580735.db2.gz DJYRUDUPVZGQCM-XMMPIXPASA-N 2 1 424.589 2.957 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454672 1077580738 /nfs/dbraw/zinc/58/07/38/1077580738.db2.gz DJYRUDUPVZGQCM-XMMPIXPASA-N 2 1 424.589 2.957 20 0 HFADMP CC(C)[NH+]1CCN(CCCOC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000792261623 1077784689 /nfs/dbraw/zinc/78/46/89/1077784689.db2.gz KNVLEGOAHQVNBV-UHFFFAOYSA-N 2 1 407.465 2.778 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCOC)[C@H]3CC[C@@H](C)C3)cc2)CC1 ZINC000792463721 1077858939 /nfs/dbraw/zinc/85/89/39/1077858939.db2.gz CJJDKVRGGCYDOB-KNQAVFIVSA-N 2 1 402.583 2.904 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000790122536 1077958186 /nfs/dbraw/zinc/95/81/86/1077958186.db2.gz QZPXGGXSZMEKJI-HXUWFJFHSA-N 2 1 415.607 2.721 20 0 HFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364624 1078014645 /nfs/dbraw/zinc/01/46/45/1078014645.db2.gz AQYMGBDZKNCSIS-XXBNENTESA-N 2 1 409.534 2.683 20 0 HFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364624 1078014650 /nfs/dbraw/zinc/01/46/50/1078014650.db2.gz AQYMGBDZKNCSIS-XXBNENTESA-N 2 1 409.534 2.683 20 0 HFADMP COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC001198230188 1126155875 /nfs/dbraw/zinc/15/58/75/1126155875.db2.gz PHQVYPHZOAENLX-XMMPIXPASA-N 2 1 414.546 2.619 20 0 HFADMP CCOC(=O)c1c(C)nc(Cl)cc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685259 719614828 /nfs/dbraw/zinc/61/48/28/719614828.db2.gz UIXKCTDDYPZVIB-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP CCOC(=O)c1c(C)nc(Cl)cc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685259 719614846 /nfs/dbraw/zinc/61/48/46/719614846.db2.gz UIXKCTDDYPZVIB-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(=S)[nH]2)c2c1CC[NH2+]C2 ZINC001164679745 719634111 /nfs/dbraw/zinc/63/41/11/719634111.db2.gz LKQUHSATBHXQCH-UHFFFAOYSA-N 2 1 402.902 2.699 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(Cl)nc(=S)[nH]2)c2c1CC[NH2+]C2 ZINC001164679745 719634120 /nfs/dbraw/zinc/63/41/20/719634120.db2.gz LKQUHSATBHXQCH-UHFFFAOYSA-N 2 1 402.902 2.699 20 0 HFADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164686787 719726196 /nfs/dbraw/zinc/72/61/96/719726196.db2.gz SOJOWQCACMKHQK-UHFFFAOYSA-N 2 1 405.974 2.512 20 0 HFADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164686787 719726210 /nfs/dbraw/zinc/72/62/10/719726210.db2.gz SOJOWQCACMKHQK-UHFFFAOYSA-N 2 1 405.974 2.512 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712020 720092918 /nfs/dbraw/zinc/09/29/18/720092918.db2.gz UDHDZQLLNYWHSR-HXUWFJFHSA-N 2 1 410.566 2.835 20 0 HFADMP CCN(C)c1cc[nH+]c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712020 720092922 /nfs/dbraw/zinc/09/29/22/720092922.db2.gz UDHDZQLLNYWHSR-HXUWFJFHSA-N 2 1 410.566 2.835 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164981583 722099148 /nfs/dbraw/zinc/09/91/48/722099148.db2.gz LTHSWMALDKLMKV-NHCUHLMSSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976463 722103028 /nfs/dbraw/zinc/10/30/28/722103028.db2.gz DGOJBXUPZGXQHO-NHCUHLMSSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164976463 722103029 /nfs/dbraw/zinc/10/30/29/722103029.db2.gz DGOJBXUPZGXQHO-NHCUHLMSSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164976463 722103030 /nfs/dbraw/zinc/10/30/30/722103030.db2.gz DGOJBXUPZGXQHO-NHCUHLMSSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976467 722103124 /nfs/dbraw/zinc/10/31/24/722103124.db2.gz DGOJBXUPZGXQHO-RTWAWAEBSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164976467 722103130 /nfs/dbraw/zinc/10/31/30/722103130.db2.gz DGOJBXUPZGXQHO-RTWAWAEBSA-N 2 1 408.550 2.508 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164976467 722103133 /nfs/dbraw/zinc/10/31/33/722103133.db2.gz DGOJBXUPZGXQHO-RTWAWAEBSA-N 2 1 408.550 2.508 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980902 722146404 /nfs/dbraw/zinc/14/64/04/722146404.db2.gz NMRSYQKYGBONIV-JTHBVZDNSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980902 722146405 /nfs/dbraw/zinc/14/64/05/722146405.db2.gz NMRSYQKYGBONIV-JTHBVZDNSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980902 722146407 /nfs/dbraw/zinc/14/64/07/722146407.db2.gz NMRSYQKYGBONIV-JTHBVZDNSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+]1CCN(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995028 722193209 /nfs/dbraw/zinc/19/32/09/722193209.db2.gz RLEGEVBLKDKBQN-QHCPKHFHSA-N 2 1 410.541 2.612 20 0 HFADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001170443794 1078380979 /nfs/dbraw/zinc/38/09/79/1078380979.db2.gz TWEWKGKIFWXJKB-ISKFKSNPSA-N 2 1 403.611 2.908 20 0 HFADMP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000804380465 1078440541 /nfs/dbraw/zinc/44/05/41/1078440541.db2.gz VVAFATHTHAVCSN-SFTDATJTSA-N 2 1 408.631 2.822 20 0 HFADMP O=C(C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000805827384 1079296984 /nfs/dbraw/zinc/29/69/84/1079296984.db2.gz QSYKNDZDVJRGSC-OAQYLSRUSA-N 2 1 420.598 2.643 20 0 HFADMP O=C(C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000805827384 1079296991 /nfs/dbraw/zinc/29/69/91/1079296991.db2.gz QSYKNDZDVJRGSC-OAQYLSRUSA-N 2 1 420.598 2.643 20 0 HFADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccsc1 ZINC000787652214 1076898188 /nfs/dbraw/zinc/89/81/88/1076898188.db2.gz IBENZBRUXFAFKO-FQEVSTJZSA-N 2 1 420.623 2.628 20 0 HFADMP CCOC(=O)C1([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788694510 1077274726 /nfs/dbraw/zinc/27/47/26/1077274726.db2.gz VBTKMLGDNKYYDH-KRWDZBQOSA-N 2 1 409.571 2.807 20 0 HFADMP Cc1cnc2c(N(CC[NH3+])c3cncc(-n4cc[nH+]c4C)n3)nc3ccc(C)cc3n12 ZINC001170151981 1077371437 /nfs/dbraw/zinc/37/14/37/1077371437.db2.gz QVCQYRBXTIINTL-UHFFFAOYSA-N 2 1 413.489 2.880 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815809 1077583684 /nfs/dbraw/zinc/58/36/84/1077583684.db2.gz NLOQOSQZVBSOEM-PKOBYXMFSA-N 2 1 407.942 2.713 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815809 1077583689 /nfs/dbraw/zinc/58/36/89/1077583689.db2.gz NLOQOSQZVBSOEM-PKOBYXMFSA-N 2 1 407.942 2.713 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@]3(CO)CC(C)C)cc2)CC1 ZINC000789513076 1077604760 /nfs/dbraw/zinc/60/47/60/1077604760.db2.gz DPOMKMKNCFIXFQ-HSZRJFAPSA-N 2 1 402.583 2.640 20 0 HFADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308806 1077799580 /nfs/dbraw/zinc/79/95/80/1077799580.db2.gz HNGVXMMNNDHLME-RBUKOAKNSA-N 2 1 422.614 2.698 20 0 HFADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308806 1077799584 /nfs/dbraw/zinc/79/95/84/1077799584.db2.gz HNGVXMMNNDHLME-RBUKOAKNSA-N 2 1 422.614 2.698 20 0 HFADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000792336969 1077824913 /nfs/dbraw/zinc/82/49/13/1077824913.db2.gz YKZPKDIYRVLMSK-NQIIRXRSSA-N 2 1 418.582 2.737 20 0 HFADMP C[N@@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001170204933 1077905241 /nfs/dbraw/zinc/90/52/41/1077905241.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 2 1 404.580 2.611 20 0 HFADMP C[NH+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001170204933 1077905243 /nfs/dbraw/zinc/90/52/43/1077905243.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 2 1 404.580 2.611 20 0 HFADMP C[NH+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001170204933 1077905244 /nfs/dbraw/zinc/90/52/44/1077905244.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 2 1 404.580 2.611 20 0 HFADMP CCC[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1Cc1ccccc1 ZINC000790377031 1078018501 /nfs/dbraw/zinc/01/85/01/1078018501.db2.gz WTIZXZYUYSEBTM-VWNXMTODSA-N 2 1 412.578 2.847 20 0 HFADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747393483 1080563181 /nfs/dbraw/zinc/56/31/81/1080563181.db2.gz FIKDBAPHXYRQGA-FCHUYYIVSA-N 2 1 403.542 2.940 20 0 HFADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747393483 1080563188 /nfs/dbraw/zinc/56/31/88/1080563188.db2.gz FIKDBAPHXYRQGA-FCHUYYIVSA-N 2 1 403.542 2.940 20 0 HFADMP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170528383 1080800248 /nfs/dbraw/zinc/80/02/48/1080800248.db2.gz OQCDZQQUAJFRHD-QHCPKHFHSA-N 3 1 420.557 2.639 20 0 HFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164406466 718864372 /nfs/dbraw/zinc/86/43/72/718864372.db2.gz GYWAUIXVIOBRBU-DLBZAZTESA-N 2 1 403.596 2.965 20 0 HFADMP CCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627349 719087978 /nfs/dbraw/zinc/08/79/78/719087978.db2.gz JWMYVLMFORBUAT-IFMALSPDSA-N 2 1 407.562 2.976 20 0 HFADMP CCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627349 719087981 /nfs/dbraw/zinc/08/79/81/719087981.db2.gz JWMYVLMFORBUAT-IFMALSPDSA-N 2 1 407.562 2.976 20 0 HFADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164651967 719317880 /nfs/dbraw/zinc/31/78/80/719317880.db2.gz IRSXATACVBHZEL-UHFFFAOYSA-N 2 1 412.582 2.862 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834258 720333985 /nfs/dbraw/zinc/33/39/85/720333985.db2.gz YYDXKHYHXWFWSJ-WOJBJXKFSA-N 2 1 410.566 2.924 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834254 720334221 /nfs/dbraw/zinc/33/42/21/720334221.db2.gz YYDXKHYHXWFWSJ-VQTJNVASSA-N 2 1 410.566 2.924 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834247 720334258 /nfs/dbraw/zinc/33/42/58/720334258.db2.gz YYDXKHYHXWFWSJ-PMACEKPBSA-N 2 1 410.566 2.924 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840659 720505007 /nfs/dbraw/zinc/50/50/07/720505007.db2.gz XESCOAQDZAFRQD-NJDAHSKKSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833954 720513373 /nfs/dbraw/zinc/51/33/73/720513373.db2.gz DXJNCYKAGKGJNN-PWRODBHTSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164833954 720513376 /nfs/dbraw/zinc/51/33/76/720513376.db2.gz DXJNCYKAGKGJNN-PWRODBHTSA-N 2 1 409.582 2.960 20 0 HFADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164833954 720513379 /nfs/dbraw/zinc/51/33/79/720513379.db2.gz DXJNCYKAGKGJNN-PWRODBHTSA-N 2 1 409.582 2.960 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741788 720850683 /nfs/dbraw/zinc/85/06/83/720850683.db2.gz FOOMROASVPABBI-AKIFATBCSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741788 720850684 /nfs/dbraw/zinc/85/06/84/720850684.db2.gz FOOMROASVPABBI-AKIFATBCSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741788 720850686 /nfs/dbraw/zinc/85/06/86/720850686.db2.gz FOOMROASVPABBI-AKIFATBCSA-N 2 1 421.593 2.647 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741798 720850868 /nfs/dbraw/zinc/85/08/68/720850868.db2.gz FOOMROASVPABBI-YMPZKCBVSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741798 720850870 /nfs/dbraw/zinc/85/08/70/720850870.db2.gz FOOMROASVPABBI-YMPZKCBVSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741798 720850872 /nfs/dbraw/zinc/85/08/72/720850872.db2.gz FOOMROASVPABBI-YMPZKCBVSA-N 2 1 421.593 2.647 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2cc1OC ZINC001164768274 721211456 /nfs/dbraw/zinc/21/14/56/721211456.db2.gz KTLMBUKOWLTPOF-PXNSSMCTSA-N 2 1 407.518 2.944 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2cc1OC ZINC001164768274 721211461 /nfs/dbraw/zinc/21/14/61/721211461.db2.gz KTLMBUKOWLTPOF-PXNSSMCTSA-N 2 1 407.518 2.944 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022618 721816357 /nfs/dbraw/zinc/81/63/57/721816357.db2.gz GDRUXGCTHCELCX-ZYSHUDEJSA-N 2 1 420.517 2.876 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022618 721816361 /nfs/dbraw/zinc/81/63/61/721816361.db2.gz GDRUXGCTHCELCX-ZYSHUDEJSA-N 2 1 420.517 2.876 20 0 HFADMP C[NH+](C)CCNC(=S)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000793258340 1078112325 /nfs/dbraw/zinc/11/23/25/1078112325.db2.gz XWGKBEGNLBYNNK-JOCHJYFZSA-N 2 1 411.619 2.984 20 0 HFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000793907628 1078334320 /nfs/dbraw/zinc/33/43/20/1078334320.db2.gz GDRCAAHPPVSIJY-IBGZPJMESA-N 2 1 420.642 2.774 20 0 HFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793912325 1078335949 /nfs/dbraw/zinc/33/59/49/1078335949.db2.gz PDFZEPMFBDDAKC-KDURUIRLSA-N 2 1 416.610 2.579 20 0 HFADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001170445726 1078417286 /nfs/dbraw/zinc/41/72/86/1078417286.db2.gz YEOPNXYCEWISBS-IBGZPJMESA-N 2 1 414.550 2.917 20 0 HFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000805636049 1079189595 /nfs/dbraw/zinc/18/95/95/1079189595.db2.gz JKUQYXCHOIQTLU-QNGMFEMESA-N 2 1 420.642 2.917 20 0 HFADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527384 1079436531 /nfs/dbraw/zinc/43/65/31/1079436531.db2.gz DYSZWYZEGJHTBL-SXWKCWPCSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527384 1079436534 /nfs/dbraw/zinc/43/65/34/1079436534.db2.gz DYSZWYZEGJHTBL-SXWKCWPCSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527384 1079436537 /nfs/dbraw/zinc/43/65/37/1079436537.db2.gz DYSZWYZEGJHTBL-SXWKCWPCSA-N 2 1 403.542 2.701 20 0 HFADMP COCC[NH+](CCOC)C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001170075852 1076899814 /nfs/dbraw/zinc/89/98/14/1076899814.db2.gz VWWXAHTUEMDQPU-UHFFFAOYSA-N 2 1 413.603 2.693 20 0 HFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787708207 1076921098 /nfs/dbraw/zinc/92/10/98/1076921098.db2.gz TXOCXZNVJKZLEG-BGYRXZFFSA-N 2 1 420.642 2.632 20 0 HFADMP CC1(C)CC[N@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377018 1077133604 /nfs/dbraw/zinc/13/36/04/1077133604.db2.gz DFRFGEQVRYVFSX-QFIPXVFZSA-N 2 1 416.591 2.748 20 0 HFADMP CC1(C)CC[N@@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377018 1077133605 /nfs/dbraw/zinc/13/36/05/1077133605.db2.gz DFRFGEQVRYVFSX-QFIPXVFZSA-N 2 1 416.591 2.748 20 0 HFADMP CC1(C)CC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377018 1077133607 /nfs/dbraw/zinc/13/36/07/1077133607.db2.gz DFRFGEQVRYVFSX-QFIPXVFZSA-N 2 1 416.591 2.748 20 0 HFADMP CC1(C)CC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377018 1077133608 /nfs/dbraw/zinc/13/36/08/1077133608.db2.gz DFRFGEQVRYVFSX-QFIPXVFZSA-N 2 1 416.591 2.748 20 0 HFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600903 1077219630 /nfs/dbraw/zinc/21/96/30/1077219630.db2.gz FKUKWFVKBRHOIG-YYWHXJBOSA-N 2 1 403.567 2.714 20 0 HFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600903 1077219631 /nfs/dbraw/zinc/21/96/31/1077219631.db2.gz FKUKWFVKBRHOIG-YYWHXJBOSA-N 2 1 403.567 2.714 20 0 HFADMP Cc1ccc([C@@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000792096250 1077713500 /nfs/dbraw/zinc/71/35/00/1077713500.db2.gz FIJQLNMUEVRXTI-HXUWFJFHSA-N 2 1 418.582 2.657 20 0 HFADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000792331539 1077821731 /nfs/dbraw/zinc/82/17/31/1077821731.db2.gz NCUDIEQUIMAHKQ-LJQANCHMSA-N 2 1 422.614 2.652 20 0 HFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374023 1078017655 /nfs/dbraw/zinc/01/76/55/1078017655.db2.gz SYPFTTKBPRRIEJ-XXBNENTESA-N 2 1 404.599 2.837 20 0 HFADMP CCOC(=O)C1=C(Nc2ccc3c(n2)OCC[NH2+]C3)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522090 1080497168 /nfs/dbraw/zinc/49/71/68/1080497168.db2.gz XDGDPBJRSMQSDT-UHFFFAOYSA-N 2 1 408.502 2.699 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164389434 718824885 /nfs/dbraw/zinc/82/48/85/718824885.db2.gz IIIBMZNALAPJRX-IRXDYDNUSA-N 2 1 413.591 2.733 20 0 HFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164406475 718864392 /nfs/dbraw/zinc/86/43/92/718864392.db2.gz GYWAUIXVIOBRBU-IRXDYDNUSA-N 2 1 403.596 2.965 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810393 720095756 /nfs/dbraw/zinc/09/57/56/720095756.db2.gz LMSJENCUYQTASQ-AVRDEDQJSA-N 2 1 420.001 2.782 20 0 HFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)[nH+]cc21 ZINC001164817983 720158884 /nfs/dbraw/zinc/15/88/84/720158884.db2.gz QUXITNFNJYFGHX-GAJHUEQPSA-N 2 1 412.534 2.924 20 0 HFADMP COc1ccc2c[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)cc2c1 ZINC001164717171 720190159 /nfs/dbraw/zinc/19/01/59/720190159.db2.gz UAHAAHZYGLISQT-OAQYLSRUSA-N 2 1 422.533 2.588 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741769 720851103 /nfs/dbraw/zinc/85/11/03/720851103.db2.gz FOOMROASVPABBI-ACIOBRDBSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741769 720851107 /nfs/dbraw/zinc/85/11/07/720851107.db2.gz FOOMROASVPABBI-ACIOBRDBSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741769 720851109 /nfs/dbraw/zinc/85/11/09/720851109.db2.gz FOOMROASVPABBI-ACIOBRDBSA-N 2 1 421.593 2.647 20 0 HFADMP C[N@@H+](Cc1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1)C1CC1 ZINC001164762327 721041134 /nfs/dbraw/zinc/04/11/34/721041134.db2.gz HVQHVYXAMPXXDI-UHFFFAOYSA-N 2 1 403.534 2.751 20 0 HFADMP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771808 721143724 /nfs/dbraw/zinc/14/37/24/721143724.db2.gz UFDXBPCRFDGVKM-RTBURBONSA-N 2 1 407.518 2.944 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164783224 721451903 /nfs/dbraw/zinc/45/19/03/721451903.db2.gz ACKLZDZKZOOUIJ-HXUWFJFHSA-N 2 1 402.583 2.882 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2)c1 ZINC001164977051 722138666 /nfs/dbraw/zinc/13/86/66/722138666.db2.gz IDYXZHOVAYBZOC-DHIUTWEWSA-N 2 1 407.562 2.800 20 0 HFADMP O=C(c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC001164994096 722204188 /nfs/dbraw/zinc/20/41/88/722204188.db2.gz FSRIQLSXSYBFTR-XMMPIXPASA-N 2 1 423.536 2.511 20 0 HFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@H](O)c1cccc(F)c1 ZINC000772762939 1078154275 /nfs/dbraw/zinc/15/42/75/1078154275.db2.gz XSKZYJGODAQVHH-QFIPXVFZSA-N 2 1 405.558 2.904 20 0 HFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931357 1078341234 /nfs/dbraw/zinc/34/12/34/1078341234.db2.gz MUYIUOSVEQWSMQ-CVDCTZTESA-N 2 1 422.573 2.658 20 0 HFADMP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC001170076047 1076904061 /nfs/dbraw/zinc/90/40/61/1076904061.db2.gz XZNDIXAYFCYNSN-HXUWFJFHSA-N 2 1 407.580 2.549 20 0 HFADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000787881269 1076975128 /nfs/dbraw/zinc/97/51/28/1076975128.db2.gz ZAAIGYSQVHUFMU-UHFFFAOYSA-N 2 1 420.517 2.672 20 0 HFADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000788592582 1077216250 /nfs/dbraw/zinc/21/62/50/1077216250.db2.gz LHNBJADQJGSWNS-MJGOQNOKSA-N 2 1 410.603 2.554 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000746808140 1077566031 /nfs/dbraw/zinc/56/60/31/1077566031.db2.gz FWHIICCZDRNCOP-KRWDZBQOSA-N 2 1 420.517 2.541 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000746808140 1077566040 /nfs/dbraw/zinc/56/60/40/1077566040.db2.gz FWHIICCZDRNCOP-KRWDZBQOSA-N 2 1 420.517 2.541 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814713 1077582287 /nfs/dbraw/zinc/58/22/87/1077582287.db2.gz CGUISMANAIEWOP-FGZHOGPDSA-N 2 1 409.530 2.904 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814713 1077582291 /nfs/dbraw/zinc/58/22/91/1077582291.db2.gz CGUISMANAIEWOP-FGZHOGPDSA-N 2 1 409.530 2.904 20 0 HFADMP CC(C)CN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000792171036 1077733800 /nfs/dbraw/zinc/73/38/00/1077733800.db2.gz ODZYCTPOMGPDDW-UHFFFAOYSA-N 2 1 410.603 2.508 20 0 HFADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(COc4ccc(Cl)nc4)CC3)cn2)CC1 ZINC000789758315 1077763448 /nfs/dbraw/zinc/76/34/48/1077763448.db2.gz QRUCJZNBJKSRIW-UHFFFAOYSA-N 2 1 416.957 2.568 20 0 HFADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000792216728 1077770245 /nfs/dbraw/zinc/77/02/45/1077770245.db2.gz XIZWGQLLYSVRFP-UHFFFAOYSA-N 2 1 422.614 2.843 20 0 HFADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000792549809 1077900115 /nfs/dbraw/zinc/90/01/15/1077900115.db2.gz GIGBFGBFDDOPAJ-UHFFFAOYSA-N 2 1 406.486 2.534 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000790122535 1077958229 /nfs/dbraw/zinc/95/82/29/1077958229.db2.gz QZPXGGXSZMEKJI-FQEVSTJZSA-N 2 1 415.607 2.721 20 0 HFADMP COC(=O)c1c2cnn(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2ccc1Br ZINC000790443657 1078033441 /nfs/dbraw/zinc/03/34/41/1078033441.db2.gz ZYSKRBMLKFATML-BBRMVZONSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2ccc1Br ZINC000790443657 1078033447 /nfs/dbraw/zinc/03/34/47/1078033447.db2.gz ZYSKRBMLKFATML-BBRMVZONSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443657 1078033453 /nfs/dbraw/zinc/03/34/53/1078033453.db2.gz ZYSKRBMLKFATML-BBRMVZONSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443657 1078033459 /nfs/dbraw/zinc/03/34/59/1078033459.db2.gz ZYSKRBMLKFATML-BBRMVZONSA-N 2 1 421.339 2.959 20 0 HFADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806814771 1080026949 /nfs/dbraw/zinc/02/69/49/1080026949.db2.gz VCXUQNXEKBTANW-BVYCBKJFSA-N 2 1 400.567 2.592 20 0 HFADMP C[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164673765 719444272 /nfs/dbraw/zinc/44/42/72/719444272.db2.gz UEJILIYTPFRYTG-IAGOWNOFSA-N 2 1 413.591 2.685 20 0 HFADMP C[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164673765 719444285 /nfs/dbraw/zinc/44/42/85/719444285.db2.gz UEJILIYTPFRYTG-IAGOWNOFSA-N 2 1 413.591 2.685 20 0 HFADMP COc1ccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nc2c1 ZINC001164684340 719617638 /nfs/dbraw/zinc/61/76/38/719617638.db2.gz OXUGIUZYTGONBI-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COc1ccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nc2c1 ZINC001164684340 719617639 /nfs/dbraw/zinc/61/76/39/719617639.db2.gz OXUGIUZYTGONBI-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ccc2C(=O)NC(C)(C)C)c2c1CC[NH2+]C2 ZINC001164683385 719626822 /nfs/dbraw/zinc/62/68/22/719626822.db2.gz SGJWTJAJPFDNCA-UHFFFAOYSA-N 2 1 418.973 2.935 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ccc2C(=O)NC(C)(C)C)c2c1CC[NH2+]C2 ZINC001164683385 719626827 /nfs/dbraw/zinc/62/68/27/719626827.db2.gz SGJWTJAJPFDNCA-UHFFFAOYSA-N 2 1 418.973 2.935 20 0 HFADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164683723 719722735 /nfs/dbraw/zinc/72/27/35/719722735.db2.gz DKIZJETWQPJHLS-UHFFFAOYSA-N 2 1 418.545 2.660 20 0 HFADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)CC2 ZINC001164683723 719722739 /nfs/dbraw/zinc/72/27/39/719722739.db2.gz DKIZJETWQPJHLS-UHFFFAOYSA-N 2 1 418.545 2.660 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822863 720344003 /nfs/dbraw/zinc/34/40/03/720344003.db2.gz FZMGHEYXHBQGOA-YADHBBJMSA-N 2 1 411.594 2.587 20 0 HFADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001164727420 720516925 /nfs/dbraw/zinc/51/69/25/720516925.db2.gz FYQODZIEKANNAI-IBGZPJMESA-N 2 1 401.518 2.874 20 0 HFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750201 720858249 /nfs/dbraw/zinc/85/82/49/720858249.db2.gz OQNTTWRAEAHCGW-RJGXRXQPSA-N 2 1 421.593 2.648 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859235 720887427 /nfs/dbraw/zinc/88/74/27/720887427.db2.gz MCPWOXRKFFQZFW-BHDDXSALSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859235 720887428 /nfs/dbraw/zinc/88/74/28/720887428.db2.gz MCPWOXRKFFQZFW-BHDDXSALSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859235 720887432 /nfs/dbraw/zinc/88/74/32/720887432.db2.gz MCPWOXRKFFQZFW-BHDDXSALSA-N 2 1 402.583 2.802 20 0 HFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164789912 721402345 /nfs/dbraw/zinc/40/23/45/721402345.db2.gz VEMAMLWGQOXOIR-GJZGRUSLSA-N 2 1 404.971 2.622 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164785820 721464105 /nfs/dbraw/zinc/46/41/05/721464105.db2.gz NSVLIGVEVQODNT-NRFANRHFSA-N 2 1 402.583 2.583 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164791309 721469590 /nfs/dbraw/zinc/46/95/90/721469590.db2.gz WXXLMNGORLGOEP-JOCHJYFZSA-N 2 1 416.610 2.877 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022615 721816409 /nfs/dbraw/zinc/81/64/09/721816409.db2.gz GDRUXGCTHCELCX-KFKAGJAMSA-N 2 1 420.517 2.876 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022615 721816410 /nfs/dbraw/zinc/81/64/10/721816410.db2.gz GDRUXGCTHCELCX-KFKAGJAMSA-N 2 1 420.517 2.876 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2)c1 ZINC001164977053 722139190 /nfs/dbraw/zinc/13/91/90/722139190.db2.gz IDYXZHOVAYBZOC-PKTZIBPZSA-N 2 1 407.562 2.800 20 0 HFADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc(CC(=O)N(C)C)cc3)C=C2)CC1 ZINC001170493110 1079362642 /nfs/dbraw/zinc/36/26/42/1079362642.db2.gz FZMUJGBHOFQPGY-QHGAOEGBSA-N 2 1 408.546 2.689 20 0 HFADMP C[N@H+]1CC[C@H](c2ccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cc2)C1 ZINC001170075700 1076894602 /nfs/dbraw/zinc/89/46/02/1076894602.db2.gz GIKFHSKRZHVAPZ-IBGZPJMESA-N 2 1 410.543 2.808 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)C2)C1 ZINC000788601392 1077219160 /nfs/dbraw/zinc/21/91/60/1077219160.db2.gz JGFAKPBRQRPOJB-CTNGQTDRSA-N 2 1 415.578 2.859 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)C2)C1 ZINC000788601392 1077219164 /nfs/dbraw/zinc/21/91/64/1077219164.db2.gz JGFAKPBRQRPOJB-CTNGQTDRSA-N 2 1 415.578 2.859 20 0 HFADMP C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260966 1077784342 /nfs/dbraw/zinc/78/43/42/1077784342.db2.gz RDRGMCXVRUCMDQ-FHWLQOOXSA-N 2 1 404.551 2.744 20 0 HFADMP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260966 1077784349 /nfs/dbraw/zinc/78/43/49/1077784349.db2.gz RDRGMCXVRUCMDQ-FHWLQOOXSA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260966 1077784356 /nfs/dbraw/zinc/78/43/56/1077784356.db2.gz RDRGMCXVRUCMDQ-FHWLQOOXSA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260966 1077784363 /nfs/dbraw/zinc/78/43/63/1077784363.db2.gz RDRGMCXVRUCMDQ-FHWLQOOXSA-N 2 1 404.551 2.744 20 0 HFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792275382 1077790285 /nfs/dbraw/zinc/79/02/85/1077790285.db2.gz GMUWCMMKSVUZIW-UHFFFAOYSA-N 2 1 404.555 2.938 20 0 HFADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364057 1078004824 /nfs/dbraw/zinc/00/48/24/1078004824.db2.gz DGCAWXNLVNCOMT-QPPBQGQZSA-N 2 1 412.578 2.705 20 0 HFADMP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000790382170 1078009567 /nfs/dbraw/zinc/00/95/67/1078009567.db2.gz FBEADMPVTAXYKX-SJBKTWHCSA-N 2 1 403.498 2.852 20 0 HFADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747393488 1080563275 /nfs/dbraw/zinc/56/32/75/1080563275.db2.gz FIKDBAPHXYRQGA-YADHBBJMSA-N 2 1 403.542 2.940 20 0 HFADMP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747393488 1080563283 /nfs/dbraw/zinc/56/32/83/1080563283.db2.gz FIKDBAPHXYRQGA-YADHBBJMSA-N 2 1 403.542 2.940 20 0 HFADMP CCOC(=O)C1=C(Nc2ccc(OC3C[NH2+]C3)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522494 1080577515 /nfs/dbraw/zinc/57/75/15/1080577515.db2.gz MKVMLRZLLHWDQX-UHFFFAOYSA-N 2 1 408.502 2.567 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164389893 718824491 /nfs/dbraw/zinc/82/44/91/718824491.db2.gz KLDHHYWVXKKRIB-SJORKVTESA-N 2 1 413.591 2.733 20 0 HFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCOCC45C[NH2+]C5)c32)C1 ZINC001164402184 718860699 /nfs/dbraw/zinc/86/06/99/718860699.db2.gz JCWFJINLLCIRQK-HNNXBMFYSA-N 2 1 413.591 2.591 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCCC2)c2c1CC[NH2+]C2 ZINC001164679731 719636472 /nfs/dbraw/zinc/63/64/72/719636472.db2.gz KUXAZPDYPNQRFU-UHFFFAOYSA-N 2 1 405.550 2.902 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCCC2)c2c1CC[NH2+]C2 ZINC001164679731 719636477 /nfs/dbraw/zinc/63/64/77/719636477.db2.gz KUXAZPDYPNQRFU-UHFFFAOYSA-N 2 1 405.550 2.902 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCC(C)CC2)c2c1CC[NH2+]C2 ZINC001164680666 719637973 /nfs/dbraw/zinc/63/79/73/719637973.db2.gz ZNCXBXUILMOXCF-UHFFFAOYSA-N 2 1 410.566 2.625 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCC(C)CC2)c2c1CC[NH2+]C2 ZINC001164680666 719637985 /nfs/dbraw/zinc/63/79/85/719637985.db2.gz ZNCXBXUILMOXCF-UHFFFAOYSA-N 2 1 410.566 2.625 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)N3CCC(C)CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679489 719638621 /nfs/dbraw/zinc/63/86/21/719638621.db2.gz CIIFTRPMDICCIQ-UHFFFAOYSA-N 2 1 410.566 2.625 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)N3CCC(C)CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679489 719638630 /nfs/dbraw/zinc/63/86/30/719638630.db2.gz CIIFTRPMDICCIQ-UHFFFAOYSA-N 2 1 410.566 2.625 20 0 HFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)cs1 ZINC001164693099 719811915 /nfs/dbraw/zinc/81/19/15/719811915.db2.gz UOMXHASGQCAWIG-UHFFFAOYSA-N 2 1 412.607 2.891 20 0 HFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164711113 720099674 /nfs/dbraw/zinc/09/96/74/720099674.db2.gz OKYUOBVBHMYUBS-OAQYLSRUSA-N 2 1 407.562 2.630 20 0 HFADMP Cc1cccc2cc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164717631 720201492 /nfs/dbraw/zinc/20/14/92/720201492.db2.gz VNRIRVMQDLGECJ-FQEVSTJZSA-N 2 1 406.534 2.888 20 0 HFADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3Cc2ccccc2)C1 ZINC001164727421 720517236 /nfs/dbraw/zinc/51/72/36/720517236.db2.gz FYQODZIEKANNAI-LJQANCHMSA-N 2 1 401.518 2.874 20 0 HFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164750359 720845543 /nfs/dbraw/zinc/84/55/43/720845543.db2.gz XIFWKOIULOPTDG-VJBWXMMDSA-N 2 1 421.593 2.648 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859232 720887529 /nfs/dbraw/zinc/88/75/29/720887529.db2.gz MCPWOXRKFFQZFW-BDTNDASRSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859232 720887531 /nfs/dbraw/zinc/88/75/31/720887531.db2.gz MCPWOXRKFFQZFW-BDTNDASRSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859232 720887534 /nfs/dbraw/zinc/88/75/34/720887534.db2.gz MCPWOXRKFFQZFW-BDTNDASRSA-N 2 1 402.583 2.802 20 0 HFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164784136 721370397 /nfs/dbraw/zinc/37/03/97/721370397.db2.gz QLYWYIBTKVTXAC-QHCPKHFHSA-N 2 1 413.566 2.867 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164805665 721575877 /nfs/dbraw/zinc/57/58/77/721575877.db2.gz OKCHQVHZGWMKAW-AKFKNWHVSA-N 2 1 407.562 2.941 20 0 HFADMP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@@H]21 ZINC001164812239 721583201 /nfs/dbraw/zinc/58/32/01/721583201.db2.gz ZRBSUOZLEQKNED-GPXNEJASSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164812239 721583205 /nfs/dbraw/zinc/58/32/05/721583205.db2.gz ZRBSUOZLEQKNED-GPXNEJASSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164812239 721583208 /nfs/dbraw/zinc/58/32/08/721583208.db2.gz ZRBSUOZLEQKNED-GPXNEJASSA-N 2 1 407.562 2.939 20 0 HFADMP Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1 ZINC001164912136 721739196 /nfs/dbraw/zinc/73/91/96/721739196.db2.gz MBUSWUSWXFZODM-OAQYLSRUSA-N 2 1 414.504 2.605 20 0 HFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000793867391 1078327815 /nfs/dbraw/zinc/32/78/15/1078327815.db2.gz KGEWLRMGCKZOEQ-UHFFFAOYSA-N 2 1 414.594 2.668 20 0 HFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931358 1078341200 /nfs/dbraw/zinc/34/12/00/1078341200.db2.gz MUYIUOSVEQWSMQ-WMZHIEFXSA-N 2 1 422.573 2.658 20 0 HFADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001170445728 1078417326 /nfs/dbraw/zinc/41/73/26/1078417326.db2.gz YEOPNXYCEWISBS-LJQANCHMSA-N 2 1 414.550 2.917 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805826663 1079295719 /nfs/dbraw/zinc/29/57/19/1079295719.db2.gz GMSSFTJVEVJHQN-NRFANRHFSA-N 2 1 422.614 2.889 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805826663 1079295722 /nfs/dbraw/zinc/29/57/22/1079295722.db2.gz GMSSFTJVEVJHQN-NRFANRHFSA-N 2 1 422.614 2.889 20 0 HFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306287 /nfs/dbraw/zinc/30/62/87/1079306287.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306293 /nfs/dbraw/zinc/30/62/93/1079306293.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306298 /nfs/dbraw/zinc/30/62/98/1079306298.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 2 1 416.347 2.857 20 0 HFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300865 1076748601 /nfs/dbraw/zinc/74/86/01/1076748601.db2.gz WLWZRTPYTRJBJK-NHCUHLMSSA-N 2 1 424.589 2.670 20 0 HFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000791541894 1077459238 /nfs/dbraw/zinc/45/92/38/1077459238.db2.gz CXEDFKWUNRIMCM-GOSISDBHSA-N 2 1 417.307 2.538 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@]3(CO)CC(C)C)cc2)CC1 ZINC000789513077 1077604846 /nfs/dbraw/zinc/60/48/46/1077604846.db2.gz DPOMKMKNCFIXFQ-QHCPKHFHSA-N 2 1 402.583 2.640 20 0 HFADMP CCC[C@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1Cc1ccccc1 ZINC000790377024 1078018371 /nfs/dbraw/zinc/01/83/71/1078018371.db2.gz WTIZXZYUYSEBTM-UPVQGACJSA-N 2 1 412.578 2.847 20 0 HFADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000806738577 1079929660 /nfs/dbraw/zinc/92/96/60/1079929660.db2.gz ILJVYXWFWFGKCG-VSKRKVRLSA-N 2 1 402.583 2.650 20 0 HFADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806814773 1080026976 /nfs/dbraw/zinc/02/69/76/1080026976.db2.gz VCXUQNXEKBTANW-COPCDDAFSA-N 2 1 400.567 2.592 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164389891 718824567 /nfs/dbraw/zinc/82/45/67/718824567.db2.gz KLDHHYWVXKKRIB-IAGOWNOFSA-N 2 1 413.591 2.733 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164389436 718824963 /nfs/dbraw/zinc/82/49/63/718824963.db2.gz IIIBMZNALAPJRX-SJORKVTESA-N 2 1 413.591 2.733 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164389432 718825070 /nfs/dbraw/zinc/82/50/70/718825070.db2.gz IIIBMZNALAPJRX-DLBZAZTESA-N 2 1 413.591 2.733 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc3ncnc(Cl)c3n2)c2c1CC[NH2+]C2 ZINC001164681256 719630214 /nfs/dbraw/zinc/63/02/14/719630214.db2.gz FLFRGYRQZRYLLE-UHFFFAOYSA-N 2 1 421.883 2.958 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc3ncnc(Cl)c3n2)c2c1CC[NH2+]C2 ZINC001164681256 719630216 /nfs/dbraw/zinc/63/02/16/719630216.db2.gz FLFRGYRQZRYLLE-UHFFFAOYSA-N 2 1 421.883 2.958 20 0 HFADMP COc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]c2ccccc21 ZINC001164714502 720190714 /nfs/dbraw/zinc/19/07/14/720190714.db2.gz FZRARKFGGWENFO-FQEVSTJZSA-N 2 1 422.533 2.588 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@@H]21 ZINC001164835308 720586143 /nfs/dbraw/zinc/58/61/43/720586143.db2.gz BCCWLDOYBGCGRB-HJNYFJLDSA-N 3 1 423.609 2.583 20 0 HFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]21 ZINC001164835308 720586156 /nfs/dbraw/zinc/58/61/56/720586156.db2.gz BCCWLDOYBGCGRB-HJNYFJLDSA-N 2 1 423.609 2.583 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]21 ZINC001164835308 720586177 /nfs/dbraw/zinc/58/61/77/720586177.db2.gz BCCWLDOYBGCGRB-HJNYFJLDSA-N 2 1 423.609 2.583 20 0 HFADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164839726 720705292 /nfs/dbraw/zinc/70/52/92/720705292.db2.gz MQMPGJOFFHNVER-QHCPKHFHSA-N 2 1 421.589 2.751 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164805667 721576313 /nfs/dbraw/zinc/57/63/13/721576313.db2.gz OKCHQVHZGWMKAW-CQOQZXRMSA-N 2 1 407.562 2.941 20 0 HFADMP Cc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1C1C[NH2+]C1 ZINC001164911476 721766362 /nfs/dbraw/zinc/76/63/62/721766362.db2.gz PDIDGHRDJVCSCI-UHFFFAOYSA-N 2 1 404.518 2.655 20 0 HFADMP Cc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1C1C[NH2+]C1 ZINC001164911476 721766365 /nfs/dbraw/zinc/76/63/65/721766365.db2.gz PDIDGHRDJVCSCI-UHFFFAOYSA-N 2 1 404.518 2.655 20 0 HFADMP C[NH+]1CCN(c2cccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955643 722019375 /nfs/dbraw/zinc/01/93/75/722019375.db2.gz LSXIPNNKXDLHTQ-UHFFFAOYSA-N 2 1 406.578 2.721 20 0 HFADMP c1cn(-c2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)cn1 ZINC001164962332 722060852 /nfs/dbraw/zinc/06/08/52/722060852.db2.gz RBWVCKDAEYWHKK-UHFFFAOYSA-N 2 1 404.518 2.781 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3C2)c1 ZINC001164973862 722155295 /nfs/dbraw/zinc/15/52/95/722155295.db2.gz NEOSSUBVRGTBLN-FYYLOGMGSA-N 2 1 407.562 2.800 20 0 HFADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC001170435479 1078225335 /nfs/dbraw/zinc/22/53/35/1078225335.db2.gz PQQIUBVPFCVOJG-IBGZPJMESA-N 2 1 418.582 2.785 20 0 HFADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC001170435479 1078225339 /nfs/dbraw/zinc/22/53/39/1078225339.db2.gz PQQIUBVPFCVOJG-IBGZPJMESA-N 2 1 418.582 2.785 20 0 HFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001129971218 1078665255 /nfs/dbraw/zinc/66/52/55/1078665255.db2.gz ZDFIYRUJCRMUDE-DENIHFKCSA-N 2 1 405.502 2.534 20 0 HFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001129971218 1078665258 /nfs/dbraw/zinc/66/52/58/1078665258.db2.gz ZDFIYRUJCRMUDE-DENIHFKCSA-N 2 1 405.502 2.534 20 0 HFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301663 1076749525 /nfs/dbraw/zinc/74/95/25/1076749525.db2.gz CBIXICIIMRNXTL-IERDGZPVSA-N 2 1 415.534 2.978 20 0 HFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301663 1076749532 /nfs/dbraw/zinc/74/95/32/1076749532.db2.gz CBIXICIIMRNXTL-IERDGZPVSA-N 2 1 415.534 2.978 20 0 HFADMP [NH3+]C1CCN(c2nc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)cc[nH+]2)CC1 ZINC001170076487 1076910057 /nfs/dbraw/zinc/91/00/57/1076910057.db2.gz HMYXKNOUYIOTSR-NRFANRHFSA-N 2 1 422.577 2.876 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccccc2OCC[NH+](C)C)cn1 ZINC000746726509 1077038954 /nfs/dbraw/zinc/03/89/54/1077038954.db2.gz VYKZJFNOMNJVDR-UHFFFAOYSA-N 2 1 408.506 2.516 20 0 HFADMP CCOC(=O)C1([C@@H](C)[NH2+]CCn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788581448 1077212299 /nfs/dbraw/zinc/21/22/99/1077212299.db2.gz ARZYMYHHUDSFRY-MRXNPFEDSA-N 2 1 408.543 2.750 20 0 HFADMP CC(C)C[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000788847199 1077318378 /nfs/dbraw/zinc/31/83/78/1077318378.db2.gz SMPHPFRGBYPIKA-HXUWFJFHSA-N 2 1 424.630 2.802 20 0 HFADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000792336971 1077824766 /nfs/dbraw/zinc/82/47/66/1077824766.db2.gz YKZPKDIYRVLMSK-WIYYLYMNSA-N 2 1 418.582 2.737 20 0 HFADMP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000790382172 1078009397 /nfs/dbraw/zinc/00/93/97/1078009397.db2.gz FBEADMPVTAXYKX-URVUXULASA-N 2 1 403.498 2.852 20 0 HFADMP CC[NH+]1CCN(CCCC[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790461935 1078027573 /nfs/dbraw/zinc/02/75/73/1078027573.db2.gz AEIIOEPREGXJDR-UHFFFAOYSA-N 2 1 402.583 2.795 20 0 HFADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000806738574 1079929624 /nfs/dbraw/zinc/92/96/24/1079929624.db2.gz ILJVYXWFWFGKCG-BDTNDASRSA-N 2 1 402.583 2.650 20 0 HFADMP Cc1cc2ccccc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164718175 720190844 /nfs/dbraw/zinc/19/08/44/720190844.db2.gz YLBWYHUOBFSYPY-NRFANRHFSA-N 2 1 406.534 2.888 20 0 HFADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164840461 720692973 /nfs/dbraw/zinc/69/29/73/720692973.db2.gz DZXRIOLYWFHZHT-SFHVURJKSA-N 2 1 408.502 2.672 20 0 HFADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164840461 720692975 /nfs/dbraw/zinc/69/29/75/720692975.db2.gz DZXRIOLYWFHZHT-SFHVURJKSA-N 2 1 408.502 2.672 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745845 720772223 /nfs/dbraw/zinc/77/22/23/720772223.db2.gz WAQXGFHHKUTZCT-UXHICEINSA-N 2 1 416.529 2.967 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745845 720772225 /nfs/dbraw/zinc/77/22/25/720772225.db2.gz WAQXGFHHKUTZCT-UXHICEINSA-N 2 1 416.529 2.967 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165026623 721804169 /nfs/dbraw/zinc/80/41/69/721804169.db2.gz ROLFYEFPJJAWDU-ZAAXVRCTSA-N 2 1 412.969 2.908 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2)c1 ZINC001164977054 722139222 /nfs/dbraw/zinc/13/92/22/722139222.db2.gz IDYXZHOVAYBZOC-XZOQPEGZSA-N 2 1 407.562 2.800 20 0 HFADMP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000793700804 1078273765 /nfs/dbraw/zinc/27/37/65/1078273765.db2.gz OZBLZWGUFDZBTH-JAXLGGSGSA-N 2 1 414.594 2.661 20 0 HFADMP C[N@@H+]1CC[C@]2(CCN(Cn3nc(C[NH+]4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745141 1078288497 /nfs/dbraw/zinc/28/84/97/1078288497.db2.gz MLRYAMIQRSVCTC-QFIPXVFZSA-N 2 1 412.607 2.984 20 0 HFADMP C[N@H+]1CC[C@]2(CCN(Cn3nc(C[NH+]4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745141 1078288502 /nfs/dbraw/zinc/28/85/02/1078288502.db2.gz MLRYAMIQRSVCTC-QFIPXVFZSA-N 2 1 412.607 2.984 20 0 HFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931359 1078341282 /nfs/dbraw/zinc/34/12/82/1078341282.db2.gz MUYIUOSVEQWSMQ-XXBNENTESA-N 2 1 422.573 2.658 20 0 HFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000805635961 1079189537 /nfs/dbraw/zinc/18/95/37/1079189537.db2.gz HPSNOVJDYUXLLI-LJQANCHMSA-N 2 1 416.610 2.723 20 0 HFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000805635960 1079189095 /nfs/dbraw/zinc/18/90/95/1079189095.db2.gz HPSNOVJDYUXLLI-IBGZPJMESA-N 2 1 416.610 2.723 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805792895 1079257851 /nfs/dbraw/zinc/25/78/51/1079257851.db2.gz IFTRIIVKPQYZIL-QHCPKHFHSA-N 2 1 422.614 2.698 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805792895 1079257857 /nfs/dbraw/zinc/25/78/57/1079257857.db2.gz IFTRIIVKPQYZIL-QHCPKHFHSA-N 2 1 422.614 2.698 20 0 HFADMP Cc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)cc1-c1nn[nH]n1 ZINC001170500881 1079486921 /nfs/dbraw/zinc/48/69/21/1079486921.db2.gz SJVHVPOKCCVARD-KLAILNCOSA-N 2 1 405.506 2.547 20 0 HFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301664 1076749476 /nfs/dbraw/zinc/74/94/76/1076749476.db2.gz CBIXICIIMRNXTL-IIBYNOLFSA-N 2 1 415.534 2.978 20 0 HFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301664 1076749483 /nfs/dbraw/zinc/74/94/83/1076749483.db2.gz CBIXICIIMRNXTL-IIBYNOLFSA-N 2 1 415.534 2.978 20 0 HFADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000788592577 1077216120 /nfs/dbraw/zinc/21/61/20/1077216120.db2.gz LHNBJADQJGSWNS-HKUYNNGSSA-N 2 1 410.603 2.554 20 0 HFADMP Cc1[nH+]ccn1CCOC(=O)C12CCC(C(=O)OCCn3cc[nH+]c3C)(CC1)CC2 ZINC000788997054 1077376833 /nfs/dbraw/zinc/37/68/33/1077376833.db2.gz AIJFLVJOEGESLI-UHFFFAOYSA-N 2 1 414.506 2.824 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814712 1077582332 /nfs/dbraw/zinc/58/23/32/1077582332.db2.gz CGUISMANAIEWOP-FCHUYYIVSA-N 2 1 409.530 2.904 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814712 1077582334 /nfs/dbraw/zinc/58/23/34/1077582334.db2.gz CGUISMANAIEWOP-FCHUYYIVSA-N 2 1 409.530 2.904 20 0 HFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103018 1077697876 /nfs/dbraw/zinc/69/78/76/1077697876.db2.gz DQWCARLDSANTQV-ZCNNSNEGSA-N 2 1 422.614 2.793 20 0 HFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103018 1077697879 /nfs/dbraw/zinc/69/78/79/1077697879.db2.gz DQWCARLDSANTQV-ZCNNSNEGSA-N 2 1 422.614 2.793 20 0 HFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc(Br)c(Cl)c2)CC1 ZINC000790330640 1077998334 /nfs/dbraw/zinc/99/83/34/1077998334.db2.gz ZQIBPAYTKLDHIU-UHFFFAOYSA-N 2 1 410.703 2.897 20 0 HFADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364061 1078005114 /nfs/dbraw/zinc/00/51/14/1078005114.db2.gz DGCAWXNLVNCOMT-URXFXBBRSA-N 2 1 412.578 2.705 20 0 HFADMP O=C1O[C@]2(CN1CN1CC[C@@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372497 1078017396 /nfs/dbraw/zinc/01/73/96/1078017396.db2.gz WLHZYPXYABRUES-DQEYMECFSA-N 2 1 424.589 2.849 20 0 HFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374012 1078017603 /nfs/dbraw/zinc/01/76/03/1078017603.db2.gz SYPFTTKBPRRIEJ-AUSIDOKSSA-N 2 1 404.599 2.837 20 0 HFADMP CC1(C)C[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000790448194 1078034506 /nfs/dbraw/zinc/03/45/06/1078034506.db2.gz TWHWAMOBGNEHPE-QHCPKHFHSA-N 2 1 422.573 2.650 20 0 HFADMP CC1(C)C[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000790448194 1078034512 /nfs/dbraw/zinc/03/45/12/1078034512.db2.gz TWHWAMOBGNEHPE-QHCPKHFHSA-N 2 1 422.573 2.650 20 0 HFADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164617780 719011352 /nfs/dbraw/zinc/01/13/52/719011352.db2.gz PORDJWSAANBNIP-RDPSFJRHSA-N 2 1 412.578 2.825 20 0 HFADMP C[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164673768 719444335 /nfs/dbraw/zinc/44/43/35/719444335.db2.gz UEJILIYTPFRYTG-SJORKVTESA-N 2 1 413.591 2.685 20 0 HFADMP C[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164673768 719444344 /nfs/dbraw/zinc/44/43/44/719444344.db2.gz UEJILIYTPFRYTG-SJORKVTESA-N 2 1 413.591 2.685 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)NC2CCCCC2)c2c1CC[NH2+]C2 ZINC001164682210 719605385 /nfs/dbraw/zinc/60/53/85/719605385.db2.gz BUIQXDQAGYCNKH-UHFFFAOYSA-N 2 1 410.566 2.816 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)NC2CCCCC2)c2c1CC[NH2+]C2 ZINC001164682210 719605393 /nfs/dbraw/zinc/60/53/93/719605393.db2.gz BUIQXDQAGYCNKH-UHFFFAOYSA-N 2 1 410.566 2.816 20 0 HFADMP COC(=O)c1cc2c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]c(Cl)cc-2n1 ZINC001164684828 719632490 /nfs/dbraw/zinc/63/24/90/719632490.db2.gz XYILFKNCOAROSO-UHFFFAOYSA-N 2 1 416.913 2.675 20 0 HFADMP COC(=O)c1cc2c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)[nH]c(Cl)cc-2n1 ZINC001164684828 719632493 /nfs/dbraw/zinc/63/24/93/719632493.db2.gz XYILFKNCOAROSO-UHFFFAOYSA-N 2 1 416.913 2.675 20 0 HFADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164711538 720102441 /nfs/dbraw/zinc/10/24/41/720102441.db2.gz QQBXOTGLUJGJMF-LJQANCHMSA-N 2 1 406.534 2.871 20 0 HFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164711538 720102454 /nfs/dbraw/zinc/10/24/54/720102454.db2.gz QQBXOTGLUJGJMF-LJQANCHMSA-N 2 1 406.534 2.871 20 0 HFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)[nH+]cc21 ZINC001164817986 720158046 /nfs/dbraw/zinc/15/80/46/720158046.db2.gz QUXITNFNJYFGHX-SBUREZEXSA-N 2 1 412.534 2.924 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822861 720343736 /nfs/dbraw/zinc/34/37/36/720343736.db2.gz FZMGHEYXHBQGOA-VXKWHMMOSA-N 2 1 411.594 2.587 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840664 720504342 /nfs/dbraw/zinc/50/43/42/720504342.db2.gz XESCOAQDZAFRQD-PWRODBHTSA-N 2 1 409.582 2.960 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(C4CC[NH2+]CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835865 720575355 /nfs/dbraw/zinc/57/53/55/720575355.db2.gz IPZVJQLELVTSKL-RZUBCFFCSA-N 2 1 409.582 2.518 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748795 720801003 /nfs/dbraw/zinc/80/10/03/720801003.db2.gz RLDKGGOLSGOYLL-TUNNFDKTSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748795 720801009 /nfs/dbraw/zinc/80/10/09/720801009.db2.gz RLDKGGOLSGOYLL-TUNNFDKTSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748795 720801011 /nfs/dbraw/zinc/80/10/11/720801011.db2.gz RLDKGGOLSGOYLL-TUNNFDKTSA-N 2 1 408.550 2.760 20 0 HFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858207 720860295 /nfs/dbraw/zinc/86/02/95/720860295.db2.gz RQBOFLPMKHNEAQ-IRLDBZIGSA-N 2 1 421.545 2.653 20 0 HFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858207 720860296 /nfs/dbraw/zinc/86/02/96/720860296.db2.gz RQBOFLPMKHNEAQ-IRLDBZIGSA-N 2 1 421.545 2.653 20 0 HFADMP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771806 721143055 /nfs/dbraw/zinc/14/30/55/721143055.db2.gz UFDXBPCRFDGVKM-RBUKOAKNSA-N 2 1 407.518 2.944 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2cc1OC ZINC001164768279 721211320 /nfs/dbraw/zinc/21/13/20/721211320.db2.gz KTLMBUKOWLTPOF-XLIONFOSSA-N 2 1 407.518 2.944 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2cc1OC ZINC001164768279 721211330 /nfs/dbraw/zinc/21/13/30/721211330.db2.gz KTLMBUKOWLTPOF-XLIONFOSSA-N 2 1 407.518 2.944 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164790248 721452116 /nfs/dbraw/zinc/45/21/16/721452116.db2.gz XOGITQWYVNFUQG-HXUWFJFHSA-N 2 1 417.598 2.585 20 0 HFADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164790248 721452117 /nfs/dbraw/zinc/45/21/17/721452117.db2.gz XOGITQWYVNFUQG-HXUWFJFHSA-N 2 1 417.598 2.585 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164790248 721452120 /nfs/dbraw/zinc/45/21/20/721452120.db2.gz XOGITQWYVNFUQG-HXUWFJFHSA-N 2 1 417.598 2.585 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164790246 721452142 /nfs/dbraw/zinc/45/21/42/721452142.db2.gz XOGITQWYVNFUQG-FQEVSTJZSA-N 2 1 417.598 2.585 20 0 HFADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164790246 721452144 /nfs/dbraw/zinc/45/21/44/721452144.db2.gz XOGITQWYVNFUQG-FQEVSTJZSA-N 2 1 417.598 2.585 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164790246 721452146 /nfs/dbraw/zinc/45/21/46/721452146.db2.gz XOGITQWYVNFUQG-FQEVSTJZSA-N 2 1 417.598 2.585 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164807854 721572656 /nfs/dbraw/zinc/57/26/56/721572656.db2.gz TYBNYANGLWEXNT-CZTZKLFOSA-N 2 1 413.953 2.644 20 0 HFADMP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(N(C)C)[nH+]1 ZINC001164907105 721586026 /nfs/dbraw/zinc/58/60/26/721586026.db2.gz RXFLKKDEBMJMBY-FQEVSTJZSA-N 2 1 402.493 2.984 20 0 HFADMP Cc1nc(N(C)C)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164907105 721586029 /nfs/dbraw/zinc/58/60/29/721586029.db2.gz RXFLKKDEBMJMBY-FQEVSTJZSA-N 2 1 402.493 2.984 20 0 HFADMP Cc1nc(N(C)C)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164907105 721586032 /nfs/dbraw/zinc/58/60/32/721586032.db2.gz RXFLKKDEBMJMBY-FQEVSTJZSA-N 2 1 402.493 2.984 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022614 721816154 /nfs/dbraw/zinc/81/61/54/721816154.db2.gz GDRUXGCTHCELCX-IPELMVKDSA-N 2 1 420.517 2.876 20 0 HFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022614 721816156 /nfs/dbraw/zinc/81/61/56/721816156.db2.gz GDRUXGCTHCELCX-IPELMVKDSA-N 2 1 420.517 2.876 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001165024184 721819986 /nfs/dbraw/zinc/81/99/86/721819986.db2.gz JNEFSGYXJSXMEO-UEVCKROQSA-N 2 1 406.578 2.623 20 0 HFADMP Clc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975013 722136446 /nfs/dbraw/zinc/13/64/46/722136446.db2.gz DRTVQEGHMYTAJB-UTKZUKDTSA-N 2 1 413.953 2.503 20 0 HFADMP C[NH+]1CCN(c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995019 722193095 /nfs/dbraw/zinc/19/30/95/722193095.db2.gz RLEGEVBLKDKBQN-HSZRJFAPSA-N 2 1 410.541 2.612 20 0 HFADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC001170435481 1078225377 /nfs/dbraw/zinc/22/53/77/1078225377.db2.gz PQQIUBVPFCVOJG-LJQANCHMSA-N 2 1 418.582 2.785 20 0 HFADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)c1ccccc1 ZINC001170435481 1078225380 /nfs/dbraw/zinc/22/53/80/1078225380.db2.gz PQQIUBVPFCVOJG-LJQANCHMSA-N 2 1 418.582 2.785 20 0 HFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931356 1078341160 /nfs/dbraw/zinc/34/11/60/1078341160.db2.gz MUYIUOSVEQWSMQ-AUSIDOKSSA-N 2 1 422.573 2.658 20 0 HFADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC2)cc1 ZINC001170444354 1078395209 /nfs/dbraw/zinc/39/52/09/1078395209.db2.gz YPRUQNBGPIYBGS-UPVQGACJSA-N 2 1 419.610 2.608 20 0 HFADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC2)cc1 ZINC001170444354 1078395211 /nfs/dbraw/zinc/39/52/11/1078395211.db2.gz YPRUQNBGPIYBGS-UPVQGACJSA-N 2 1 419.610 2.608 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805826664 1079295692 /nfs/dbraw/zinc/29/56/92/1079295692.db2.gz GMSSFTJVEVJHQN-OAQYLSRUSA-N 2 1 422.614 2.889 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805826664 1079295694 /nfs/dbraw/zinc/29/56/94/1079295694.db2.gz GMSSFTJVEVJHQN-OAQYLSRUSA-N 2 1 422.614 2.889 20 0 HFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491099 1079306177 /nfs/dbraw/zinc/30/61/77/1079306177.db2.gz SCQJKHZUQIMGIQ-AEFFLSMTSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491099 1079306184 /nfs/dbraw/zinc/30/61/84/1079306184.db2.gz SCQJKHZUQIMGIQ-AEFFLSMTSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491099 1079306190 /nfs/dbraw/zinc/30/61/90/1079306190.db2.gz SCQJKHZUQIMGIQ-AEFFLSMTSA-N 2 1 416.347 2.857 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000746676456 1076750482 /nfs/dbraw/zinc/75/04/82/1076750482.db2.gz WTMYGSAMYBWCLL-IBGZPJMESA-N 2 1 401.507 2.684 20 0 HFADMP C[N@@H+](CCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC000787692845 1076914686 /nfs/dbraw/zinc/91/46/86/1076914686.db2.gz XXZSCJIMWMDUQP-UHFFFAOYSA-N 2 1 420.642 2.918 20 0 HFADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000787772107 1076942127 /nfs/dbraw/zinc/94/21/27/1076942127.db2.gz XTJLDNSPRQWTIZ-HSZRJFAPSA-N 2 1 422.614 2.510 20 0 HFADMP CC(C)C[C@H]([NH2+][C@@H](C)c1nc(Br)ccc1F)C(=O)NCC[NH+](C)C ZINC000788713114 1077268511 /nfs/dbraw/zinc/26/85/11/1077268511.db2.gz SUWXPUCXFJSDBP-JSGCOSHPSA-N 2 1 403.340 2.726 20 0 HFADMP Cc1nccn1-c1ccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000792043280 1077691076 /nfs/dbraw/zinc/69/10/76/1077691076.db2.gz BMYOCKHHEVMXMN-SZPZYZBQSA-N 2 1 416.529 2.849 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000792043280 1077691080 /nfs/dbraw/zinc/69/10/80/1077691080.db2.gz BMYOCKHHEVMXMN-SZPZYZBQSA-N 2 1 416.529 2.849 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000792043280 1077691091 /nfs/dbraw/zinc/69/10/91/1077691091.db2.gz BMYOCKHHEVMXMN-SZPZYZBQSA-N 2 1 416.529 2.849 20 0 HFADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000792336968 1077824724 /nfs/dbraw/zinc/82/47/24/1077824724.db2.gz YKZPKDIYRVLMSK-GHTZIAJQSA-N 2 1 418.582 2.737 20 0 HFADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792639358 1077950365 /nfs/dbraw/zinc/95/03/65/1077950365.db2.gz WWLZFHSCVZSWFV-UHFFFAOYSA-N 2 1 418.582 2.649 20 0 HFADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001170346489 1077954578 /nfs/dbraw/zinc/95/45/78/1077954578.db2.gz MZZZEOPLQHAHME-UHFFFAOYSA-N 2 1 402.587 2.657 20 0 HFADMP COC(=O)c1c2cnn(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2ccc1Br ZINC000790443658 1078033499 /nfs/dbraw/zinc/03/34/99/1078033499.db2.gz ZYSKRBMLKFATML-CJNGLKHVSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2ccc1Br ZINC000790443658 1078033505 /nfs/dbraw/zinc/03/35/05/1078033505.db2.gz ZYSKRBMLKFATML-CJNGLKHVSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443658 1078033510 /nfs/dbraw/zinc/03/35/10/1078033510.db2.gz ZYSKRBMLKFATML-CJNGLKHVSA-N 2 1 421.339 2.959 20 0 HFADMP COC(=O)c1c2cnn(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443658 1078033515 /nfs/dbraw/zinc/03/35/15/1078033515.db2.gz ZYSKRBMLKFATML-CJNGLKHVSA-N 2 1 421.339 2.959 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C(N)=S)c3ccsc32)c2c1CC[NH2+]C2 ZINC001164680806 719653459 /nfs/dbraw/zinc/65/34/59/719653459.db2.gz IWWHSTYHJKDXHW-UHFFFAOYSA-N 2 1 400.577 2.602 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C(N)=S)c3ccsc32)c2c1CC[NH2+]C2 ZINC001164680806 719653471 /nfs/dbraw/zinc/65/34/71/719653471.db2.gz IWWHSTYHJKDXHW-UHFFFAOYSA-N 2 1 400.577 2.602 20 0 HFADMP c1csc(C[N@H+]2CCOC3(CCN(c4cccc(N5CCOCC5)[nH+]4)CC3)C2)c1 ZINC001164698404 719896300 /nfs/dbraw/zinc/89/63/00/719896300.db2.gz SIKJVKJJBZGXAG-UHFFFAOYSA-N 2 1 414.575 2.851 20 0 HFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164712508 720097508 /nfs/dbraw/zinc/09/75/08/720097508.db2.gz WKCASRDCUSEETH-HXUWFJFHSA-N 2 1 410.566 2.754 20 0 HFADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164712508 720097512 /nfs/dbraw/zinc/09/75/12/720097512.db2.gz WKCASRDCUSEETH-HXUWFJFHSA-N 2 1 410.566 2.754 20 0 HFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164712508 720097516 /nfs/dbraw/zinc/09/75/16/720097516.db2.gz WKCASRDCUSEETH-HXUWFJFHSA-N 2 1 410.566 2.754 20 0 HFADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164839722 720705539 /nfs/dbraw/zinc/70/55/39/720705539.db2.gz MQMPGJOFFHNVER-HSZRJFAPSA-N 2 1 421.589 2.751 20 0 HFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750364 720846006 /nfs/dbraw/zinc/84/60/06/720846006.db2.gz XIFWKOIULOPTDG-XPWALMASSA-N 2 1 421.593 2.648 20 0 HFADMP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771804 721145069 /nfs/dbraw/zinc/14/50/69/721145069.db2.gz UFDXBPCRFDGVKM-OALUTQOASA-N 2 1 407.518 2.944 20 0 HFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952020 722018409 /nfs/dbraw/zinc/01/84/09/722018409.db2.gz GAMZPTATMASLMB-UHFFFAOYSA-N 2 1 406.534 2.965 20 0 HFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952020 722018413 /nfs/dbraw/zinc/01/84/13/722018413.db2.gz GAMZPTATMASLMB-UHFFFAOYSA-N 2 1 406.534 2.965 20 0 HFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000793907631 1078334324 /nfs/dbraw/zinc/33/43/24/1078334324.db2.gz GDRCAAHPPVSIJY-LJQANCHMSA-N 2 1 420.642 2.774 20 0 HFADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001170443803 1078381119 /nfs/dbraw/zinc/38/11/19/1078381119.db2.gz TWEWKGKIFWXJKB-VWNXMTODSA-N 2 1 403.611 2.908 20 0 HFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@@H](C)C1 ZINC000787301665 1076749746 /nfs/dbraw/zinc/74/97/46/1076749746.db2.gz CBIXICIIMRNXTL-KKSFZXQISA-N 2 1 415.534 2.978 20 0 HFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@@H](C)C1 ZINC000787301665 1076749753 /nfs/dbraw/zinc/74/97/53/1076749753.db2.gz CBIXICIIMRNXTL-KKSFZXQISA-N 2 1 415.534 2.978 20 0 HFADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000787772108 1076942243 /nfs/dbraw/zinc/94/22/43/1076942243.db2.gz XTJLDNSPRQWTIZ-QHCPKHFHSA-N 2 1 422.614 2.510 20 0 HFADMP C[C@@H](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000746764839 1077303605 /nfs/dbraw/zinc/30/36/05/1077303605.db2.gz BUFAUJQNHVPTIE-SIKLNZKXSA-N 2 1 402.583 2.840 20 0 HFADMP C[N@H+](CCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000792051670 1077694734 /nfs/dbraw/zinc/69/47/34/1077694734.db2.gz MLRNKNSRQIJGJQ-UHFFFAOYSA-N 2 1 410.603 2.700 20 0 HFADMP C[N@@H+](CCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000792051670 1077694737 /nfs/dbraw/zinc/69/47/37/1077694737.db2.gz MLRNKNSRQIJGJQ-UHFFFAOYSA-N 2 1 410.603 2.700 20 0 HFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103015 1077697904 /nfs/dbraw/zinc/69/79/04/1077697904.db2.gz DQWCARLDSANTQV-HSALFYBXSA-N 2 1 422.614 2.793 20 0 HFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103015 1077697909 /nfs/dbraw/zinc/69/79/09/1077697909.db2.gz DQWCARLDSANTQV-HSALFYBXSA-N 2 1 422.614 2.793 20 0 HFADMP CC(C)[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792085473 1077708833 /nfs/dbraw/zinc/70/88/33/1077708833.db2.gz WFDGZHZNUUWOHB-UHFFFAOYSA-N 2 1 410.603 2.508 20 0 HFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792085473 1077708839 /nfs/dbraw/zinc/70/88/39/1077708839.db2.gz WFDGZHZNUUWOHB-UHFFFAOYSA-N 2 1 410.603 2.508 20 0 HFADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000792206866 1077745593 /nfs/dbraw/zinc/74/55/93/1077745593.db2.gz CCXACPVWWBHISM-UHFFFAOYSA-N 2 1 422.614 2.843 20 0 HFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374015 1078017568 /nfs/dbraw/zinc/01/75/68/1078017568.db2.gz SYPFTTKBPRRIEJ-CVDCTZTESA-N 2 1 404.599 2.837 20 0 HFADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001170503430 1079547494 /nfs/dbraw/zinc/54/74/94/1079547494.db2.gz NNKKECUNXMDIFG-SJLPKXTDSA-N 2 1 409.571 2.782 20 0 HFADMP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164626027 719106928 /nfs/dbraw/zinc/10/69/28/719106928.db2.gz ICESBWJTVVEKQZ-FCHUYYIVSA-N 2 1 407.562 2.956 20 0 HFADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164626030 719107444 /nfs/dbraw/zinc/10/74/44/719107444.db2.gz ICESBWJTVVEKQZ-FGZHOGPDSA-N 2 1 407.562 2.956 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816616 720152105 /nfs/dbraw/zinc/15/21/05/720152105.db2.gz LWZQXAQFHJRBKI-URXFXBBRSA-N 2 1 414.594 2.741 20 0 HFADMP COc1ccc2c[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)cc2c1 ZINC001164717170 720190769 /nfs/dbraw/zinc/19/07/69/720190769.db2.gz UAHAAHZYGLISQT-NRFANRHFSA-N 2 1 422.533 2.588 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@@H]21 ZINC001164835306 720586201 /nfs/dbraw/zinc/58/62/01/720586201.db2.gz BCCWLDOYBGCGRB-BVSLBCMMSA-N 3 1 423.609 2.583 20 0 HFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]21 ZINC001164835306 720586214 /nfs/dbraw/zinc/58/62/14/720586214.db2.gz BCCWLDOYBGCGRB-BVSLBCMMSA-N 2 1 423.609 2.583 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)CC[C@@H]21 ZINC001164835306 720586231 /nfs/dbraw/zinc/58/62/31/720586231.db2.gz BCCWLDOYBGCGRB-BVSLBCMMSA-N 2 1 423.609 2.583 20 0 HFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789908 721402213 /nfs/dbraw/zinc/40/22/13/721402213.db2.gz VEMAMLWGQOXOIR-GASCZTMLSA-N 2 1 404.971 2.622 20 0 HFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789908 721402220 /nfs/dbraw/zinc/40/22/20/721402220.db2.gz VEMAMLWGQOXOIR-GASCZTMLSA-N 2 1 404.971 2.622 20 0 HFADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164786013 721453416 /nfs/dbraw/zinc/45/34/16/721453416.db2.gz MAESQVBRFIUABE-IBGZPJMESA-N 2 1 413.566 2.702 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164786013 721453419 /nfs/dbraw/zinc/45/34/19/721453419.db2.gz MAESQVBRFIUABE-IBGZPJMESA-N 2 1 413.566 2.702 20 0 HFADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164786014 721453432 /nfs/dbraw/zinc/45/34/32/721453432.db2.gz MAESQVBRFIUABE-LJQANCHMSA-N 2 1 413.566 2.702 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cnc3c1ccn3C)CC2 ZINC001164786014 721453435 /nfs/dbraw/zinc/45/34/35/721453435.db2.gz MAESQVBRFIUABE-LJQANCHMSA-N 2 1 413.566 2.702 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164807856 721573230 /nfs/dbraw/zinc/57/32/30/721573230.db2.gz TYBNYANGLWEXNT-SYYKKAFVSA-N 2 1 413.953 2.644 20 0 HFADMP [NH3+]C1CCN(c2cccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH+]2)CC1 ZINC001164956158 722020418 /nfs/dbraw/zinc/02/04/18/722020418.db2.gz XHUUUDUZOVWVPS-UHFFFAOYSA-N 3 1 406.578 2.897 20 0 HFADMP [NH3+]C1CCN(c2cccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164956158 722020421 /nfs/dbraw/zinc/02/04/21/722020421.db2.gz XHUUUDUZOVWVPS-UHFFFAOYSA-N 2 1 406.578 2.897 20 0 HFADMP [NH3+]C1CCN(c2cccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164956158 722020425 /nfs/dbraw/zinc/02/04/25/722020425.db2.gz XHUUUDUZOVWVPS-UHFFFAOYSA-N 2 1 406.578 2.897 20 0 HFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793328369 1078138744 /nfs/dbraw/zinc/13/87/44/1078138744.db2.gz BWVUOEMTXXBULS-SLFFLAALSA-N 2 1 424.630 2.897 20 0 HFADMP CN1CC[NH+](CC2(C)CC[NH+](CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793512549 1078196144 /nfs/dbraw/zinc/19/61/44/1078196144.db2.gz STFMYKDSJFTYBN-HSZRJFAPSA-N 2 1 412.622 2.775 20 0 HFADMP Cc1cc(N2CCOCC2)[nH+]cc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170493798 1079357640 /nfs/dbraw/zinc/35/76/40/1079357640.db2.gz RKNBVAMXBRVRQH-XEVCZEQESA-N 2 1 423.561 2.598 20 0 HFADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527385 1079436455 /nfs/dbraw/zinc/43/64/55/1079436455.db2.gz DYSZWYZEGJHTBL-TXTKFYIRSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527385 1079436456 /nfs/dbraw/zinc/43/64/56/1079436456.db2.gz DYSZWYZEGJHTBL-TXTKFYIRSA-N 2 1 403.542 2.701 20 0 HFADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527385 1079436460 /nfs/dbraw/zinc/43/64/60/1079436460.db2.gz DYSZWYZEGJHTBL-TXTKFYIRSA-N 2 1 403.542 2.701 20 0 HFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303310 1076751961 /nfs/dbraw/zinc/75/19/61/1076751961.db2.gz KYDWMALSXHAFDZ-YJBOKZPZSA-N 2 1 404.523 2.910 20 0 HFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303310 1076751970 /nfs/dbraw/zinc/75/19/70/1076751970.db2.gz KYDWMALSXHAFDZ-YJBOKZPZSA-N 2 1 404.523 2.910 20 0 HFADMP CN(C(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000787480996 1076839386 /nfs/dbraw/zinc/83/93/86/1076839386.db2.gz PCDZGVDVPSWTPW-FGZHOGPDSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000787480996 1076839394 /nfs/dbraw/zinc/83/93/94/1076839394.db2.gz PCDZGVDVPSWTPW-FGZHOGPDSA-N 2 1 410.562 2.519 20 0 HFADMP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000787480996 1076839401 /nfs/dbraw/zinc/83/94/01/1076839401.db2.gz PCDZGVDVPSWTPW-FGZHOGPDSA-N 2 1 410.562 2.519 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)C2)C1 ZINC000788601397 1077219770 /nfs/dbraw/zinc/21/97/70/1077219770.db2.gz JGFAKPBRQRPOJB-TZIWHRDSSA-N 2 1 415.578 2.859 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)C2)C1 ZINC000788601397 1077219773 /nfs/dbraw/zinc/21/97/73/1077219773.db2.gz JGFAKPBRQRPOJB-TZIWHRDSSA-N 2 1 415.578 2.859 20 0 HFADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000792165930 1077731854 /nfs/dbraw/zinc/73/18/54/1077731854.db2.gz MKOPKVXWONIKLA-LJQANCHMSA-N 2 1 418.582 2.566 20 0 HFADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000792165930 1077731860 /nfs/dbraw/zinc/73/18/60/1077731860.db2.gz MKOPKVXWONIKLA-LJQANCHMSA-N 2 1 418.582 2.566 20 0 HFADMP C[NH+](C)CCCC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792289958 1077777026 /nfs/dbraw/zinc/77/70/26/1077777026.db2.gz IXYDSAPRCRKESW-UHFFFAOYSA-N 2 1 410.603 2.510 20 0 HFADMP C[N@H+](Cc1ccccc1)CC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362347 1078004877 /nfs/dbraw/zinc/00/48/77/1078004877.db2.gz KLPBKFQPEMRPRB-DEOSSOPVSA-N 2 1 412.578 2.705 20 0 HFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364617 1078014734 /nfs/dbraw/zinc/01/47/34/1078014734.db2.gz AQYMGBDZKNCSIS-AUSIDOKSSA-N 2 1 409.534 2.683 20 0 HFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364617 1078014736 /nfs/dbraw/zinc/01/47/36/1078014736.db2.gz AQYMGBDZKNCSIS-AUSIDOKSSA-N 2 1 409.534 2.683 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(-c3ccc(N(C)C)cc3)n2)c2c1CC[NH2+]C2 ZINC001164680193 719634456 /nfs/dbraw/zinc/63/44/56/719634456.db2.gz SAEDYTRFBJWTGY-UHFFFAOYSA-N 2 1 405.550 2.881 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(-c3ccc(N(C)C)cc3)n2)c2c1CC[NH2+]C2 ZINC001164680193 719634465 /nfs/dbraw/zinc/63/44/65/719634465.db2.gz SAEDYTRFBJWTGY-UHFFFAOYSA-N 2 1 405.550 2.881 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)N3CCC[C@H](C)C3)cn2)c2c1CC[NH2+]C2 ZINC001164680564 719638951 /nfs/dbraw/zinc/63/89/51/719638951.db2.gz WEDSYEBXIXCTAQ-KRWDZBQOSA-N 2 1 410.566 2.625 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)N3CCC[C@H](C)C3)cn2)c2c1CC[NH2+]C2 ZINC001164680564 719638958 /nfs/dbraw/zinc/63/89/58/719638958.db2.gz WEDSYEBXIXCTAQ-KRWDZBQOSA-N 2 1 410.566 2.625 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccncc3)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164680577 719645029 /nfs/dbraw/zinc/64/50/29/719645029.db2.gz WOYXRTBSLRYNDK-UHFFFAOYSA-N 2 1 403.534 2.699 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccncc3)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164680577 719645042 /nfs/dbraw/zinc/64/50/42/719645042.db2.gz WOYXRTBSLRYNDK-UHFFFAOYSA-N 2 1 403.534 2.699 20 0 HFADMP c1csc(C[N@H+]2CCOC3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2)c1 ZINC001164699114 719895993 /nfs/dbraw/zinc/89/59/93/719895993.db2.gz XGHWSBVGZSEKPT-UHFFFAOYSA-N 2 1 413.591 2.877 20 0 HFADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164712005 720093329 /nfs/dbraw/zinc/09/33/29/720093329.db2.gz TWLNWKGKGWXSIE-HXUWFJFHSA-N 2 1 408.550 2.953 20 0 HFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164712005 720093335 /nfs/dbraw/zinc/09/33/35/720093335.db2.gz TWLNWKGKGWXSIE-HXUWFJFHSA-N 2 1 408.550 2.953 20 0 HFADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750203 720858498 /nfs/dbraw/zinc/85/84/98/720858498.db2.gz OQNTTWRAEAHCGW-YTFSRNRJSA-N 2 1 421.593 2.648 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768284 721211108 /nfs/dbraw/zinc/21/11/08/721211108.db2.gz KTLMBUKOWLTPOF-YLJYHZDGSA-N 2 1 407.518 2.944 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768284 721211118 /nfs/dbraw/zinc/21/11/18/721211118.db2.gz KTLMBUKOWLTPOF-YLJYHZDGSA-N 2 1 407.518 2.944 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164787906 721459299 /nfs/dbraw/zinc/45/92/99/721459299.db2.gz STYYZYASVPRRQF-OAQYLSRUSA-N 2 1 402.583 2.882 20 0 HFADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164793832 721490548 /nfs/dbraw/zinc/49/05/48/721490548.db2.gz XVWPBDFNRSYJBT-UHFFFAOYSA-N 2 1 421.593 2.504 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164807857 721572862 /nfs/dbraw/zinc/57/28/62/721572862.db2.gz TYBNYANGLWEXNT-UZKOGDIHSA-N 2 1 413.953 2.644 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164981581 722098800 /nfs/dbraw/zinc/09/88/00/722098800.db2.gz LTHSWMALDKLMKV-LEWJYISDSA-N 2 1 408.550 2.508 20 0 HFADMP Clc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975011 722136540 /nfs/dbraw/zinc/13/65/40/722136540.db2.gz DRTVQEGHMYTAJB-LAUBAEHRSA-N 2 1 413.953 2.503 20 0 HFADMP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000793700808 1078273814 /nfs/dbraw/zinc/27/38/14/1078273814.db2.gz OZBLZWGUFDZBTH-TUNNFDKTSA-N 2 1 414.594 2.661 20 0 HFADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074991 1078906106 /nfs/dbraw/zinc/90/61/06/1078906106.db2.gz RJPQYTWFRVTBFY-HSALFYBXSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074991 1078906109 /nfs/dbraw/zinc/90/61/09/1078906109.db2.gz RJPQYTWFRVTBFY-HSALFYBXSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074991 1078906115 /nfs/dbraw/zinc/90/61/15/1078906115.db2.gz RJPQYTWFRVTBFY-HSALFYBXSA-N 2 1 408.974 2.885 20 0 HFADMP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672881 1077262790 /nfs/dbraw/zinc/26/27/90/1077262790.db2.gz SSKVQOQUFGPOGC-QRVBRYPASA-N 2 1 411.587 2.885 20 0 HFADMP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672881 1077262793 /nfs/dbraw/zinc/26/27/93/1077262793.db2.gz SSKVQOQUFGPOGC-QRVBRYPASA-N 2 1 411.587 2.885 20 0 HFADMP C[C@H]1CCC[N@H+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059263 1077665956 /nfs/dbraw/zinc/66/59/56/1077665956.db2.gz ZQASFMFOFGMYTK-IBGZPJMESA-N 2 1 410.603 2.558 20 0 HFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059263 1077665970 /nfs/dbraw/zinc/66/59/70/1077665970.db2.gz ZQASFMFOFGMYTK-IBGZPJMESA-N 2 1 410.603 2.558 20 0 HFADMP C[NH+](C)CCOc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792064090 1077672347 /nfs/dbraw/zinc/67/23/47/1077672347.db2.gz TULLYODLKAXLSK-UHFFFAOYSA-N 2 1 420.554 2.508 20 0 HFADMP CC[N@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792078803 1077684832 /nfs/dbraw/zinc/68/48/32/1077684832.db2.gz BOQDKUIKTGLNIT-UHFFFAOYSA-N 2 1 418.582 2.697 20 0 HFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792078803 1077684834 /nfs/dbraw/zinc/68/48/34/1077684834.db2.gz BOQDKUIKTGLNIT-UHFFFAOYSA-N 2 1 418.582 2.697 20 0 HFADMP Cc1nccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792043245 1077691043 /nfs/dbraw/zinc/69/10/43/1077691043.db2.gz AJBKFUGLNILSDQ-NRFANRHFSA-N 2 1 404.518 2.897 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792043245 1077691052 /nfs/dbraw/zinc/69/10/52/1077691052.db2.gz AJBKFUGLNILSDQ-NRFANRHFSA-N 2 1 404.518 2.897 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000792043245 1077691060 /nfs/dbraw/zinc/69/10/60/1077691060.db2.gz AJBKFUGLNILSDQ-NRFANRHFSA-N 2 1 404.518 2.897 20 0 HFADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792046489 1077692343 /nfs/dbraw/zinc/69/23/43/1077692343.db2.gz KPNLLBQGNFSVFR-FQEVSTJZSA-N 2 1 404.518 2.897 20 0 HFADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792046489 1077692345 /nfs/dbraw/zinc/69/23/45/1077692345.db2.gz KPNLLBQGNFSVFR-FQEVSTJZSA-N 2 1 404.518 2.897 20 0 HFADMP C[NH+](C)Cc1cnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001461634933 1126195440 /nfs/dbraw/zinc/19/54/40/1126195440.db2.gz SNFJUQPRYZENQU-GOSISDBHSA-N 2 1 410.381 2.977 20 0 HFADMP CCOC(=O)C1CC[NH+](C2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)CC1 ZINC001164617182 719031572 /nfs/dbraw/zinc/03/15/72/719031572.db2.gz JDLWVGBLKRRFDK-UHFFFAOYSA-N 2 1 401.555 2.711 20 0 HFADMP COc1cc2c(cc1Cl)ncnc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684730 719623702 /nfs/dbraw/zinc/62/37/02/719623702.db2.gz XBXNQVZRXUKFGM-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COc1cc2c(cc1Cl)ncnc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684730 719623710 /nfs/dbraw/zinc/62/37/10/719623710.db2.gz XBXNQVZRXUKFGM-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COc1cccc(Oc2cncc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164684801 719631597 /nfs/dbraw/zinc/63/15/97/719631597.db2.gz XTZLWNBRGRTYRJ-UHFFFAOYSA-N 2 1 408.506 2.949 20 0 HFADMP COc1cccc(Oc2cncc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164684801 719631604 /nfs/dbraw/zinc/63/16/04/719631604.db2.gz XTZLWNBRGRTYRJ-UHFFFAOYSA-N 2 1 408.506 2.949 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816848 720193071 /nfs/dbraw/zinc/19/30/71/720193071.db2.gz NEVKCWGYEROGFH-GBXCKJPGSA-N 2 1 414.594 2.739 20 0 HFADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816848 720193082 /nfs/dbraw/zinc/19/30/82/720193082.db2.gz NEVKCWGYEROGFH-GBXCKJPGSA-N 3 1 414.594 2.739 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164816848 720193099 /nfs/dbraw/zinc/19/30/99/720193099.db2.gz NEVKCWGYEROGFH-GBXCKJPGSA-N 3 1 414.594 2.739 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822859 720343689 /nfs/dbraw/zinc/34/36/89/720343689.db2.gz FZMGHEYXHBQGOA-FGZHOGPDSA-N 2 1 411.594 2.587 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835309 720584751 /nfs/dbraw/zinc/58/47/51/720584751.db2.gz BCCWLDOYBGCGRB-ILWGZMRPSA-N 3 1 423.609 2.583 20 0 HFADMP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835309 720584770 /nfs/dbraw/zinc/58/47/70/720584770.db2.gz BCCWLDOYBGCGRB-ILWGZMRPSA-N 2 1 423.609 2.583 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835309 720584791 /nfs/dbraw/zinc/58/47/91/720584791.db2.gz BCCWLDOYBGCGRB-ILWGZMRPSA-N 2 1 423.609 2.583 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835654 720591415 /nfs/dbraw/zinc/59/14/15/720591415.db2.gz CEOKGAQNKYNNLS-FUHIMQAGSA-N 2 1 414.985 2.955 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859237 720887380 /nfs/dbraw/zinc/88/73/80/720887380.db2.gz MCPWOXRKFFQZFW-VSKRKVRLSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859237 720887381 /nfs/dbraw/zinc/88/73/81/720887381.db2.gz MCPWOXRKFFQZFW-VSKRKVRLSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859237 720887384 /nfs/dbraw/zinc/88/73/84/720887384.db2.gz MCPWOXRKFFQZFW-VSKRKVRLSA-N 2 1 402.583 2.802 20 0 HFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164780294 721370912 /nfs/dbraw/zinc/37/09/12/721370912.db2.gz FTENYPWZXLSCTN-QHCPKHFHSA-N 2 1 422.533 2.991 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164783223 721451856 /nfs/dbraw/zinc/45/18/56/721451856.db2.gz ACKLZDZKZOOUIJ-FQEVSTJZSA-N 2 1 402.583 2.882 20 0 HFADMP Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1 ZINC001164912133 721738799 /nfs/dbraw/zinc/73/87/99/721738799.db2.gz MBUSWUSWXFZODM-NRFANRHFSA-N 2 1 414.504 2.605 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165026619 721804471 /nfs/dbraw/zinc/80/44/71/721804471.db2.gz ROLFYEFPJJAWDU-QKYXUNIQSA-N 2 1 412.969 2.908 20 0 HFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045478 721954520 /nfs/dbraw/zinc/95/45/20/721954520.db2.gz VWOYSZRBAAGNQM-UHFFFAOYSA-N 2 1 401.942 2.798 20 0 HFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968196 722078166 /nfs/dbraw/zinc/07/81/66/722078166.db2.gz VPKDECAQRXUWOY-HDICACEKSA-N 2 1 424.923 2.956 20 0 HFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968196 722078168 /nfs/dbraw/zinc/07/81/68/722078168.db2.gz VPKDECAQRXUWOY-HDICACEKSA-N 2 1 424.923 2.956 20 0 HFADMP CSC[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797916 1078301105 /nfs/dbraw/zinc/30/11/05/1078301105.db2.gz RTXBNVMAPPQBCU-KNQAVFIVSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797916 1078301109 /nfs/dbraw/zinc/30/11/09/1078301109.db2.gz RTXBNVMAPPQBCU-KNQAVFIVSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797916 1078301114 /nfs/dbraw/zinc/30/11/14/1078301114.db2.gz RTXBNVMAPPQBCU-KNQAVFIVSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797916 1078301119 /nfs/dbraw/zinc/30/11/19/1078301119.db2.gz RTXBNVMAPPQBCU-KNQAVFIVSA-N 2 1 416.591 2.606 20 0 HFADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC2)cc1 ZINC001170444352 1078394955 /nfs/dbraw/zinc/39/49/55/1078394955.db2.gz YPRUQNBGPIYBGS-LADGPHEKSA-N 2 1 419.610 2.608 20 0 HFADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC2)cc1 ZINC001170444352 1078394957 /nfs/dbraw/zinc/39/49/57/1078394957.db2.gz YPRUQNBGPIYBGS-LADGPHEKSA-N 2 1 419.610 2.608 20 0 HFADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC2)cc1 ZINC001170444356 1078395191 /nfs/dbraw/zinc/39/51/91/1078395191.db2.gz YPRUQNBGPIYBGS-VWNXMTODSA-N 2 1 419.610 2.608 20 0 HFADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC2)cc1 ZINC001170444356 1078395195 /nfs/dbraw/zinc/39/51/95/1078395195.db2.gz YPRUQNBGPIYBGS-VWNXMTODSA-N 2 1 419.610 2.608 20 0 HFADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074994 1078905979 /nfs/dbraw/zinc/90/59/79/1078905979.db2.gz RJPQYTWFRVTBFY-XUVXKRRUSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074994 1078905983 /nfs/dbraw/zinc/90/59/83/1078905983.db2.gz RJPQYTWFRVTBFY-XUVXKRRUSA-N 2 1 408.974 2.885 20 0 HFADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074994 1078905985 /nfs/dbraw/zinc/90/59/85/1078905985.db2.gz RJPQYTWFRVTBFY-XUVXKRRUSA-N 2 1 408.974 2.885 20 0 HFADMP C[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000805940771 1079343628 /nfs/dbraw/zinc/34/36/28/1079343628.db2.gz BVNZBQQAMZNDHG-KPQWGBOZSA-N 2 1 414.594 2.536 20 0 HFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299131 1076747401 /nfs/dbraw/zinc/74/74/01/1076747401.db2.gz FTRDFKXYWYRYIA-HOTGVXAUSA-N 2 1 407.518 2.953 20 0 HFADMP C[N@@H+](CCCCO)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000788278648 1077096246 /nfs/dbraw/zinc/09/62/46/1077096246.db2.gz IXOBFUIGMWYEHF-UHFFFAOYSA-N 2 1 410.562 2.652 20 0 HFADMP CC(C)C[C@H]([NH2+][C@H](C)c1nc(Br)ccc1F)C(=O)NCC[NH+](C)C ZINC000788713115 1077268403 /nfs/dbraw/zinc/26/84/03/1077268403.db2.gz SUWXPUCXFJSDBP-OCCSQVGLSA-N 2 1 403.340 2.726 20 0 HFADMP C[C@@H](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000746764840 1077303489 /nfs/dbraw/zinc/30/34/89/1077303489.db2.gz BUFAUJQNHVPTIE-UGKGYDQZSA-N 2 1 402.583 2.840 20 0 HFADMP CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940041 1077600962 /nfs/dbraw/zinc/60/09/62/1077600962.db2.gz SYRZBXNAGOMXHB-OAQYLSRUSA-N 2 1 405.558 2.997 20 0 HFADMP C[N@H+](Cc1ccccc1)CC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362348 1078004755 /nfs/dbraw/zinc/00/47/55/1078004755.db2.gz KLPBKFQPEMRPRB-XMMPIXPASA-N 2 1 412.578 2.705 20 0 HFADMP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000790382168 1078009465 /nfs/dbraw/zinc/00/94/65/1078009465.db2.gz FBEADMPVTAXYKX-ONTIZHBOSA-N 2 1 403.498 2.852 20 0 HFADMP O=C1O[C@@]2(CN1CN1CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372322 1078017722 /nfs/dbraw/zinc/01/77/22/1078017722.db2.gz PNRSYSJSSXNNSA-UMXIMWEHSA-N 2 1 424.589 2.847 20 0 HFADMP O=C1O[C@]2(CN1CN1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376924 1078018437 /nfs/dbraw/zinc/01/84/37/1078018437.db2.gz WNGNRQSTBSEJQY-VWLOTQADSA-N 3 1 424.589 2.849 20 0 HFADMP O=C1O[C@]2(CN1C[NH+]1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376924 1078018444 /nfs/dbraw/zinc/01/84/44/1078018444.db2.gz WNGNRQSTBSEJQY-VWLOTQADSA-N 3 1 424.589 2.849 20 0 HFADMP O=C1O[C@]2(CN1C[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376924 1078018449 /nfs/dbraw/zinc/01/84/49/1078018449.db2.gz WNGNRQSTBSEJQY-VWLOTQADSA-N 3 1 424.589 2.849 20 0 HFADMP COC(=O)c1c2cnn(C[N@@H+](C)CC3CC[NH+](C)CC3)c2ccc1Br ZINC000790444752 1078033952 /nfs/dbraw/zinc/03/39/52/1078033952.db2.gz FSRGBJXSBUWRBQ-UHFFFAOYSA-N 2 1 409.328 2.817 20 0 HFADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164617778 719011088 /nfs/dbraw/zinc/01/10/88/719011088.db2.gz PORDJWSAANBNIP-GBXCKJPGSA-N 2 1 412.578 2.825 20 0 HFADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164617779 719011297 /nfs/dbraw/zinc/01/12/97/719011297.db2.gz PORDJWSAANBNIP-HYBUGGRVSA-N 2 1 412.578 2.825 20 0 HFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858209 720860240 /nfs/dbraw/zinc/86/02/40/720860240.db2.gz RQBOFLPMKHNEAQ-RBBKRZOGSA-N 2 1 421.545 2.653 20 0 HFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858209 720860241 /nfs/dbraw/zinc/86/02/41/720860241.db2.gz RQBOFLPMKHNEAQ-RBBKRZOGSA-N 2 1 421.545 2.653 20 0 HFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]2C1 ZINC001164855471 720861259 /nfs/dbraw/zinc/86/12/59/720861259.db2.gz MWMWDWKFOKBZRV-IEBWSBKVSA-N 2 1 408.974 2.504 20 0 HFADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@@H]2C1 ZINC001164855471 720861260 /nfs/dbraw/zinc/86/12/60/720861260.db2.gz MWMWDWKFOKBZRV-IEBWSBKVSA-N 2 1 408.974 2.504 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768268 721212785 /nfs/dbraw/zinc/21/27/85/721212785.db2.gz KTLMBUKOWLTPOF-FXAWDEMLSA-N 2 1 407.518 2.944 20 0 HFADMP COc1cc2c[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768268 721212792 /nfs/dbraw/zinc/21/27/92/721212792.db2.gz KTLMBUKOWLTPOF-FXAWDEMLSA-N 2 1 407.518 2.944 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164805672 721576066 /nfs/dbraw/zinc/57/60/66/721576066.db2.gz OKCHQVHZGWMKAW-ZDXQCDESSA-N 2 1 407.562 2.941 20 0 HFADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164910748 721758872 /nfs/dbraw/zinc/75/88/72/721758872.db2.gz RCYGYJBYMKOUPJ-UHFFFAOYSA-N 2 1 418.545 2.674 20 0 HFADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164910748 721758874 /nfs/dbraw/zinc/75/88/74/721758874.db2.gz RCYGYJBYMKOUPJ-UHFFFAOYSA-N 2 1 418.545 2.674 20 0 HFADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000793101425 1078077339 /nfs/dbraw/zinc/07/73/39/1078077339.db2.gz IZDIBKYVFOSHCL-UHFFFAOYSA-N 2 1 407.522 2.617 20 0 HFADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000793101425 1078077345 /nfs/dbraw/zinc/07/73/45/1078077345.db2.gz IZDIBKYVFOSHCL-UHFFFAOYSA-N 2 1 407.522 2.617 20 0 HFADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1)CC(C)C ZINC000793694070 1078270385 /nfs/dbraw/zinc/27/03/85/1078270385.db2.gz BDLJCTMEWQIXIL-HXUWFJFHSA-N 2 1 408.631 2.584 20 0 HFADMP CSC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797915 1078301161 /nfs/dbraw/zinc/30/11/61/1078301161.db2.gz RTXBNVMAPPQBCU-DENIHFKCSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797915 1078301168 /nfs/dbraw/zinc/30/11/68/1078301168.db2.gz RTXBNVMAPPQBCU-DENIHFKCSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797915 1078301173 /nfs/dbraw/zinc/30/11/73/1078301173.db2.gz RTXBNVMAPPQBCU-DENIHFKCSA-N 2 1 416.591 2.606 20 0 HFADMP CSC[C@@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797915 1078301179 /nfs/dbraw/zinc/30/11/79/1078301179.db2.gz RTXBNVMAPPQBCU-DENIHFKCSA-N 2 1 416.591 2.606 20 0 HFADMP O=C(C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000805827383 1079296954 /nfs/dbraw/zinc/29/69/54/1079296954.db2.gz QSYKNDZDVJRGSC-NRFANRHFSA-N 2 1 420.598 2.643 20 0 HFADMP O=C(C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000805827383 1079296966 /nfs/dbraw/zinc/29/69/66/1079296966.db2.gz QSYKNDZDVJRGSC-NRFANRHFSA-N 2 1 420.598 2.643 20 0 HFADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805828876 1079298866 /nfs/dbraw/zinc/29/88/66/1079298866.db2.gz CRUBSNSVENOFRV-HXUWFJFHSA-N 2 1 408.587 2.500 20 0 HFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805828876 1079298869 /nfs/dbraw/zinc/29/88/69/1079298869.db2.gz CRUBSNSVENOFRV-HXUWFJFHSA-N 2 1 408.587 2.500 20 0 HFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306376 /nfs/dbraw/zinc/30/63/76/1079306376.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306381 /nfs/dbraw/zinc/30/63/81/1079306381.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306383 /nfs/dbraw/zinc/30/63/83/1079306383.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 2 1 416.347 2.857 20 0 HFADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3cccc(CS(C)(=O)=O)c3)C=C2)CC1 ZINC001170495944 1079392773 /nfs/dbraw/zinc/39/27/73/1079392773.db2.gz GXBYSSVYRDVYCQ-IPJUCJBFSA-N 2 1 415.559 2.603 20 0 HFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300866 1076748519 /nfs/dbraw/zinc/74/85/19/1076748519.db2.gz WLWZRTPYTRJBJK-SFTDATJTSA-N 2 1 424.589 2.670 20 0 HFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000788020431 1077048149 /nfs/dbraw/zinc/04/81/49/1077048149.db2.gz GAHQTURZLVSWNW-UHFFFAOYSA-N 2 1 402.583 2.605 20 0 HFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000788590889 1077214942 /nfs/dbraw/zinc/21/49/42/1077214942.db2.gz HCYMIYHTQPPWOL-UHFFFAOYSA-N 2 1 407.624 2.528 20 0 HFADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000788592579 1077216184 /nfs/dbraw/zinc/21/61/84/1077216184.db2.gz LHNBJADQJGSWNS-IEBWSBKVSA-N 2 1 410.603 2.554 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815802 1077583761 /nfs/dbraw/zinc/58/37/61/1077583761.db2.gz NLOQOSQZVBSOEM-HKUYNNGSSA-N 2 1 407.942 2.713 20 0 HFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815802 1077583766 /nfs/dbraw/zinc/58/37/66/1077583766.db2.gz NLOQOSQZVBSOEM-HKUYNNGSSA-N 2 1 407.942 2.713 20 0 HFADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792046927 1077693135 /nfs/dbraw/zinc/69/31/35/1077693135.db2.gz RAVKYRBPUYNQKG-SZPZYZBQSA-N 2 1 416.529 2.849 20 0 HFADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792046927 1077693140 /nfs/dbraw/zinc/69/31/40/1077693140.db2.gz RAVKYRBPUYNQKG-SZPZYZBQSA-N 2 1 416.529 2.849 20 0 HFADMP Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C[NH+](C)C)c1 ZINC000792176501 1077735187 /nfs/dbraw/zinc/73/51/87/1077735187.db2.gz UIINWBFQZDWUQM-UHFFFAOYSA-N 2 1 404.555 2.938 20 0 HFADMP C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260969 1077784100 /nfs/dbraw/zinc/78/41/00/1077784100.db2.gz RDRGMCXVRUCMDQ-QYZOEREBSA-N 2 1 404.551 2.744 20 0 HFADMP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260969 1077784107 /nfs/dbraw/zinc/78/41/07/1077784107.db2.gz RDRGMCXVRUCMDQ-QYZOEREBSA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260969 1077784116 /nfs/dbraw/zinc/78/41/16/1077784116.db2.gz RDRGMCXVRUCMDQ-QYZOEREBSA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260969 1077784120 /nfs/dbraw/zinc/78/41/20/1077784120.db2.gz RDRGMCXVRUCMDQ-QYZOEREBSA-N 2 1 404.551 2.744 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000792294110 1077792793 /nfs/dbraw/zinc/79/27/93/1077792793.db2.gz FWDLTQLCAFUZFZ-DEOSSOPVSA-N 2 1 410.562 2.650 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000792294110 1077792802 /nfs/dbraw/zinc/79/28/02/1077792802.db2.gz FWDLTQLCAFUZFZ-DEOSSOPVSA-N 2 1 410.562 2.650 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792294110 1077792811 /nfs/dbraw/zinc/79/28/11/1077792811.db2.gz FWDLTQLCAFUZFZ-DEOSSOPVSA-N 2 1 410.562 2.650 20 0 HFADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000792294110 1077792819 /nfs/dbraw/zinc/79/28/19/1077792819.db2.gz FWDLTQLCAFUZFZ-DEOSSOPVSA-N 2 1 410.562 2.650 20 0 HFADMP O=C1O[C@@]2(CN1C[NH+]1CCC(COc3ccc(Cl)nc3)CC1)C[NH+]1CCC2CC1 ZINC000790388290 1078012586 /nfs/dbraw/zinc/01/25/86/1078012586.db2.gz OQXPTUITJVDMFM-OAQYLSRUSA-N 2 1 420.941 2.700 20 0 HFADMP O=C1O[C@@]2(CN1CN1CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372306 1078017343 /nfs/dbraw/zinc/01/73/43/1078017343.db2.gz PNRSYSJSSXNNSA-QQKQFIJSSA-N 2 1 424.589 2.847 20 0 HFADMP CCC[C@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@H+]1Cc1ccccc1 ZINC000790377018 1078018473 /nfs/dbraw/zinc/01/84/73/1078018473.db2.gz WTIZXZYUYSEBTM-LADGPHEKSA-N 2 1 412.578 2.847 20 0 HFADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000792919643 1078025576 /nfs/dbraw/zinc/02/55/76/1078025576.db2.gz MZCAVQWEDIIVGI-OALUTQOASA-N 2 1 400.583 2.682 20 0 HFADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000792919643 1078025581 /nfs/dbraw/zinc/02/55/81/1078025581.db2.gz MZCAVQWEDIIVGI-OALUTQOASA-N 2 1 400.583 2.682 20 0 HFADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(NC(=O)c2ccccc2)n1 ZINC001164679778 719648511 /nfs/dbraw/zinc/64/85/11/719648511.db2.gz MTPMMCWLJDQOII-UHFFFAOYSA-N 2 1 419.533 2.709 20 0 HFADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(NC(=O)c2ccccc2)n1 ZINC001164679778 719648520 /nfs/dbraw/zinc/64/85/20/719648520.db2.gz MTPMMCWLJDQOII-UHFFFAOYSA-N 2 1 419.533 2.709 20 0 HFADMP Cc1cc2ccccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164718176 720190609 /nfs/dbraw/zinc/19/06/09/720190609.db2.gz YLBWYHUOBFSYPY-OAQYLSRUSA-N 2 1 406.534 2.888 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810814 720199869 /nfs/dbraw/zinc/19/98/69/720199869.db2.gz CYDQZPVAZVEMNT-QPPBQGQZSA-N 2 1 414.594 2.645 20 0 HFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164835866 720574659 /nfs/dbraw/zinc/57/46/59/720574659.db2.gz IPZVJQLELVTSKL-URVUXULASA-N 2 1 409.582 2.518 20 0 HFADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164796747 721498564 /nfs/dbraw/zinc/49/85/64/721498564.db2.gz WUAIRBBNNQVXTP-UHFFFAOYSA-N 2 1 406.578 2.767 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164811243 721589894 /nfs/dbraw/zinc/58/98/94/721589894.db2.gz WXJPDZHIWDMDBO-ZLNRFVROSA-N 2 1 407.562 2.941 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165023159 721824603 /nfs/dbraw/zinc/82/46/03/721824603.db2.gz HUXVJKRSCCHIBA-BVYCBKJFSA-N 2 1 422.577 2.739 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165023162 721824673 /nfs/dbraw/zinc/82/46/73/721824673.db2.gz HUXVJKRSCCHIBA-VLCRHTCISA-N 2 1 422.577 2.739 20 0 HFADMP Cc1ccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959864 722025517 /nfs/dbraw/zinc/02/55/17/722025517.db2.gz JCUSKQTXXYINSN-NZQKXSOJSA-N 2 1 408.550 2.823 20 0 HFADMP Cc1ccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959870 722025530 /nfs/dbraw/zinc/02/55/30/722025530.db2.gz JCUSKQTXXYINSN-REWPJTCUSA-N 2 1 408.550 2.823 20 0 HFADMP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000804380464 1078440573 /nfs/dbraw/zinc/44/05/73/1078440573.db2.gz VVAFATHTHAVCSN-OYRHEFFESA-N 2 1 408.631 2.822 20 0 HFADMP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000804380464 1078440575 /nfs/dbraw/zinc/44/05/75/1078440575.db2.gz VVAFATHTHAVCSN-OYRHEFFESA-N 2 1 408.631 2.822 20 0 HFADMP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000804380464 1078440577 /nfs/dbraw/zinc/44/05/77/1078440577.db2.gz VVAFATHTHAVCSN-OYRHEFFESA-N 2 1 408.631 2.822 20 0 HFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC000805763592 1079264193 /nfs/dbraw/zinc/26/41/93/1079264193.db2.gz MGKHQWZYFWUMGB-IBGZPJMESA-N 2 1 410.603 2.745 20 0 HFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746736367 1077076228 /nfs/dbraw/zinc/07/62/28/1077076228.db2.gz MIHSZUMJSFYUNB-IBGZPJMESA-N 2 1 417.554 2.831 20 0 HFADMP CCOC(=O)C1([C@@H](C)[NH2+]CCc2c[nH+]cn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788755389 1077277537 /nfs/dbraw/zinc/27/75/37/1077277537.db2.gz SFBAHBOORXPZIZ-MRXNPFEDSA-N 2 1 408.543 2.521 20 0 HFADMP C[NH+](C)CCN(C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792103070 1077697692 /nfs/dbraw/zinc/69/76/92/1077697692.db2.gz FDPQSUPDYADYBA-UHFFFAOYSA-N 2 1 404.555 2.524 20 0 HFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792211619 1077766436 /nfs/dbraw/zinc/76/64/36/1077766436.db2.gz IYOJJJDXSADKKO-UHFFFAOYSA-N 2 1 404.555 2.938 20 0 HFADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806789691 1080009975 /nfs/dbraw/zinc/00/99/75/1080009975.db2.gz PDZHCSGYCWDDPC-QETWGEEDSA-N 2 1 418.626 2.813 20 0 HFADMP C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164389433 718824879 /nfs/dbraw/zinc/82/48/79/718824879.db2.gz IIIBMZNALAPJRX-IAGOWNOFSA-N 2 1 413.591 2.733 20 0 HFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCOCC35C[NH2+]C5)n2)CCC4)CC1 ZINC001164407725 718860721 /nfs/dbraw/zinc/86/07/21/718860721.db2.gz ZZPHCLDRRGPZGS-UHFFFAOYSA-N 2 1 413.591 2.591 20 0 HFADMP CCN(CC)C(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683242 719628005 /nfs/dbraw/zinc/62/80/05/719628005.db2.gz ROUUWTCRKHVHNC-UHFFFAOYSA-N 2 1 418.973 2.889 20 0 HFADMP CCN(CC)C(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683242 719628010 /nfs/dbraw/zinc/62/80/10/719628010.db2.gz ROUUWTCRKHVHNC-UHFFFAOYSA-N 2 1 418.973 2.889 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc3ccc(Cl)nc3[nH]2)c2c1CC[NH2+]C2 ZINC001164679465 719642379 /nfs/dbraw/zinc/64/23/79/719642379.db2.gz BLJYLLJMRCUKHD-UHFFFAOYSA-N 2 1 409.872 2.891 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc3ccc(Cl)nc3[nH]2)c2c1CC[NH2+]C2 ZINC001164679465 719642391 /nfs/dbraw/zinc/64/23/91/719642391.db2.gz BLJYLLJMRCUKHD-UHFFFAOYSA-N 2 1 409.872 2.891 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810396 720094823 /nfs/dbraw/zinc/09/48/23/720094823.db2.gz LMSJENCUYQTASQ-XMSQKQJNSA-N 2 1 420.001 2.782 20 0 HFADMP COc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]c2ccccc21 ZINC001164714504 720190268 /nfs/dbraw/zinc/19/02/68/720190268.db2.gz FZRARKFGGWENFO-HXUWFJFHSA-N 2 1 422.533 2.588 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810815 720200568 /nfs/dbraw/zinc/20/05/68/720200568.db2.gz CYDQZPVAZVEMNT-URXFXBBRSA-N 2 1 414.594 2.645 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834251 720333822 /nfs/dbraw/zinc/33/38/22/720333822.db2.gz YYDXKHYHXWFWSJ-UXHICEINSA-N 2 1 410.566 2.924 20 0 HFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(C4CC[NH2+]CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835863 720576531 /nfs/dbraw/zinc/57/65/31/720576531.db2.gz IPZVJQLELVTSKL-JAXLGGSGSA-N 2 1 409.582 2.518 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748785 720801094 /nfs/dbraw/zinc/80/10/94/720801094.db2.gz RLDKGGOLSGOYLL-KCZVDYSFSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748785 720801095 /nfs/dbraw/zinc/80/10/95/720801095.db2.gz RLDKGGOLSGOYLL-KCZVDYSFSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748785 720801096 /nfs/dbraw/zinc/80/10/96/720801096.db2.gz RLDKGGOLSGOYLL-KCZVDYSFSA-N 2 1 408.550 2.760 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742532 720843086 /nfs/dbraw/zinc/84/30/86/720843086.db2.gz HGRNZJAHJOVEEG-SFHLNBCPSA-N 2 1 420.565 2.983 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742532 720843088 /nfs/dbraw/zinc/84/30/88/720843088.db2.gz HGRNZJAHJOVEEG-SFHLNBCPSA-N 2 1 420.565 2.983 20 0 HFADMP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(N(C)C)[nH+]1 ZINC001164907106 721586118 /nfs/dbraw/zinc/58/61/18/721586118.db2.gz RXFLKKDEBMJMBY-HXUWFJFHSA-N 2 1 402.493 2.984 20 0 HFADMP Cc1nc(N(C)C)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164907106 721586119 /nfs/dbraw/zinc/58/61/19/721586119.db2.gz RXFLKKDEBMJMBY-HXUWFJFHSA-N 2 1 402.493 2.984 20 0 HFADMP Cc1nc(N(C)C)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164907106 721586120 /nfs/dbraw/zinc/58/61/20/721586120.db2.gz RXFLKKDEBMJMBY-HXUWFJFHSA-N 2 1 402.493 2.984 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164811241 721589671 /nfs/dbraw/zinc/58/96/71/721589671.db2.gz WXJPDZHIWDMDBO-YTFSRNRJSA-N 2 1 407.562 2.941 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001165024186 721819913 /nfs/dbraw/zinc/81/99/13/721819913.db2.gz JNEFSGYXJSXMEO-WTIAFYNJSA-N 2 1 406.578 2.623 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980901 722146176 /nfs/dbraw/zinc/14/61/76/722146176.db2.gz NMRSYQKYGBONIV-GMAHTHKFSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980901 722146177 /nfs/dbraw/zinc/14/61/77/722146177.db2.gz NMRSYQKYGBONIV-GMAHTHKFSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980901 722146179 /nfs/dbraw/zinc/14/61/79/722146179.db2.gz NMRSYQKYGBONIV-GMAHTHKFSA-N 2 1 407.562 2.798 20 0 HFADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164995927 722208554 /nfs/dbraw/zinc/20/85/54/722208554.db2.gz PYZNSYZUECXTHI-HSZRJFAPSA-N 2 1 411.525 2.991 20 0 HFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000772762930 1078154239 /nfs/dbraw/zinc/15/42/39/1078154239.db2.gz XSKZYJGODAQVHH-JOCHJYFZSA-N 2 1 405.558 2.904 20 0 HFADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805828875 1079298803 /nfs/dbraw/zinc/29/88/03/1079298803.db2.gz CRUBSNSVENOFRV-FQEVSTJZSA-N 2 1 408.587 2.500 20 0 HFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805828875 1079298805 /nfs/dbraw/zinc/29/88/05/1079298805.db2.gz CRUBSNSVENOFRV-FQEVSTJZSA-N 2 1 408.587 2.500 20 0 HFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303305 1076752106 /nfs/dbraw/zinc/75/21/06/1076752106.db2.gz KYDWMALSXHAFDZ-MAUKXSAKSA-N 2 1 404.523 2.910 20 0 HFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303305 1076752111 /nfs/dbraw/zinc/75/21/11/1076752111.db2.gz KYDWMALSXHAFDZ-MAUKXSAKSA-N 2 1 404.523 2.910 20 0 HFADMP C[C@H](CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000787611719 1076878393 /nfs/dbraw/zinc/87/83/93/1076878393.db2.gz VSUZPIZNGQTDTM-XLIONFOSSA-N 2 1 420.985 2.584 20 0 HFADMP C[C@H](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000746764837 1077303501 /nfs/dbraw/zinc/30/35/01/1077303501.db2.gz BUFAUJQNHVPTIE-DENIHFKCSA-N 2 1 402.583 2.840 20 0 HFADMP CC(C)C[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000788847198 1077318480 /nfs/dbraw/zinc/31/84/80/1077318480.db2.gz SMPHPFRGBYPIKA-FQEVSTJZSA-N 2 1 424.630 2.802 20 0 HFADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103017 1077697795 /nfs/dbraw/zinc/69/77/95/1077697795.db2.gz DQWCARLDSANTQV-VAMGGRTRSA-N 2 1 422.614 2.793 20 0 HFADMP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792214032 1077768577 /nfs/dbraw/zinc/76/85/77/1077768577.db2.gz GGUGDBRTNKYAID-UHFFFAOYSA-N 2 1 424.611 2.581 20 0 HFADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308804 1077799342 /nfs/dbraw/zinc/79/93/42/1077799342.db2.gz HNGVXMMNNDHLME-MOPGFXCFSA-N 2 1 422.614 2.698 20 0 HFADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000792308804 1077799352 /nfs/dbraw/zinc/79/93/52/1077799352.db2.gz HNGVXMMNNDHLME-MOPGFXCFSA-N 2 1 422.614 2.698 20 0 HFADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790471593 1078039114 /nfs/dbraw/zinc/03/91/14/1078039114.db2.gz SEHWTFIWGXYIIY-UHFFFAOYSA-N 2 1 402.583 2.651 20 0 HFADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000747393485 1080563315 /nfs/dbraw/zinc/56/33/15/1080563315.db2.gz FIKDBAPHXYRQGA-VXKWHMMOSA-N 2 1 403.542 2.940 20 0 HFADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000747393485 1080563326 /nfs/dbraw/zinc/56/33/26/1080563326.db2.gz FIKDBAPHXYRQGA-VXKWHMMOSA-N 2 1 403.542 2.940 20 0 HFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816618 720151702 /nfs/dbraw/zinc/15/17/02/720151702.db2.gz LWZQXAQFHJRBKI-XUZZJYLKSA-N 2 1 414.594 2.741 20 0 HFADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]1 ZINC001164840666 720505282 /nfs/dbraw/zinc/50/52/82/720505282.db2.gz XESCOAQDZAFRQD-QHAWAJNXSA-N 2 1 409.582 2.960 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742533 720842863 /nfs/dbraw/zinc/84/28/63/720842863.db2.gz HGRNZJAHJOVEEG-SVFBPWRDSA-N 2 1 420.565 2.983 20 0 HFADMP CC(C)n1ccc2c1nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742533 720842865 /nfs/dbraw/zinc/84/28/65/720842865.db2.gz HGRNZJAHJOVEEG-SVFBPWRDSA-N 2 1 420.565 2.983 20 0 HFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164750350 720845734 /nfs/dbraw/zinc/84/57/34/720845734.db2.gz XIFWKOIULOPTDG-RJGXRXQPSA-N 2 1 421.593 2.648 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3C2)c1 ZINC001164973866 722155382 /nfs/dbraw/zinc/15/53/82/722155382.db2.gz NEOSSUBVRGTBLN-GMAHTHKFSA-N 2 1 407.562 2.800 20 0 HFADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCC[NH+]1C1CC1 ZINC001691696283 1078122844 /nfs/dbraw/zinc/12/28/44/1078122844.db2.gz SVUKHZCXQCVXME-SVFBPWRDSA-N 2 1 418.630 2.964 20 0 HFADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCC[NH+]1C1CC1 ZINC001691696283 1078122849 /nfs/dbraw/zinc/12/28/49/1078122849.db2.gz SVUKHZCXQCVXME-SVFBPWRDSA-N 2 1 418.630 2.964 20 0 HFADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001691696283 1078122852 /nfs/dbraw/zinc/12/28/52/1078122852.db2.gz SVUKHZCXQCVXME-SVFBPWRDSA-N 2 1 418.630 2.964 20 0 HFADMP CC(C)c1nnc(N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001691696283 1078122856 /nfs/dbraw/zinc/12/28/56/1078122856.db2.gz SVUKHZCXQCVXME-SVFBPWRDSA-N 2 1 418.630 2.964 20 0 HFADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001170437313 1078293547 /nfs/dbraw/zinc/29/35/47/1078293547.db2.gz MJZDCZPMZUJGMS-HXUWFJFHSA-N 2 1 411.546 2.561 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000746676457 1076750514 /nfs/dbraw/zinc/75/05/14/1076750514.db2.gz WTMYGSAMYBWCLL-LJQANCHMSA-N 2 1 401.507 2.684 20 0 HFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600900 1077219623 /nfs/dbraw/zinc/21/96/23/1077219623.db2.gz FKUKWFVKBRHOIG-DZFGPLHGSA-N 2 1 403.567 2.714 20 0 HFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600900 1077219624 /nfs/dbraw/zinc/21/96/24/1077219624.db2.gz FKUKWFVKBRHOIG-DZFGPLHGSA-N 2 1 403.567 2.714 20 0 HFADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CCOC)[C@H]3CC[C@H](C)C3)cc2)CC1 ZINC000792463727 1077859286 /nfs/dbraw/zinc/85/92/86/1077859286.db2.gz CJJDKVRGGCYDOB-UGKGYDQZSA-N 2 1 402.583 2.904 20 0 HFADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]cnc3c2ccn3COCC[Si](C)(C)C)O1 ZINC001170270046 1077923766 /nfs/dbraw/zinc/92/37/66/1077923766.db2.gz CIQSZUFVAYKGDH-MBOZVWFJSA-N 2 1 421.618 2.880 20 0 HFADMP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cccnc2-n2cc[nH+]c2C)c1 ZINC000790189925 1077966805 /nfs/dbraw/zinc/96/68/05/1077966805.db2.gz DWBHKFSPADMEDR-UHFFFAOYSA-N 2 1 422.533 2.858 20 0 HFADMP O=C1O[C@]2(CN1C[NH+]1CCC(COc3ccc(Cl)nc3)CC1)C[NH+]1CCC2CC1 ZINC000790388289 1078012610 /nfs/dbraw/zinc/01/26/10/1078012610.db2.gz OQXPTUITJVDMFM-NRFANRHFSA-N 2 1 420.941 2.700 20 0 HFADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCCOCCOCC[NH3+])c2c1C ZINC001170507275 1079656280 /nfs/dbraw/zinc/65/62/80/1079656280.db2.gz GCFVUDFLQDVRQS-UHFFFAOYSA-N 2 1 421.611 2.944 20 0 HFADMP CCOC(=O)C1=C(Nc2ncccc2N2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522033 1080494850 /nfs/dbraw/zinc/49/48/50/1080494850.db2.gz UVSCLYFRGJEUAU-UHFFFAOYSA-N 2 1 421.545 2.626 20 0 HFADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164617781 719011244 /nfs/dbraw/zinc/01/12/44/719011244.db2.gz PORDJWSAANBNIP-YKSBVNFPSA-N 2 1 412.578 2.825 20 0 HFADMP CCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627350 719088044 /nfs/dbraw/zinc/08/80/44/719088044.db2.gz JWMYVLMFORBUAT-IRLDBZIGSA-N 2 1 407.562 2.976 20 0 HFADMP CCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627350 719088047 /nfs/dbraw/zinc/08/80/47/719088047.db2.gz JWMYVLMFORBUAT-IRLDBZIGSA-N 2 1 407.562 2.976 20 0 HFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164787904 721459653 /nfs/dbraw/zinc/45/96/53/721459653.db2.gz STYYZYASVPRRQF-NRFANRHFSA-N 2 1 402.583 2.882 20 0 HFADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164795505 721502316 /nfs/dbraw/zinc/50/23/16/721502316.db2.gz JJQGPXLESBOLED-UHFFFAOYSA-N 2 1 421.593 2.504 20 0 HFADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164795505 721502321 /nfs/dbraw/zinc/50/23/21/721502321.db2.gz JJQGPXLESBOLED-UHFFFAOYSA-N 2 1 421.593 2.504 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980899 722146513 /nfs/dbraw/zinc/14/65/13/722146513.db2.gz NMRSYQKYGBONIV-FYYLOGMGSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980899 722146515 /nfs/dbraw/zinc/14/65/15/722146515.db2.gz NMRSYQKYGBONIV-FYYLOGMGSA-N 2 1 407.562 2.798 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980899 722146517 /nfs/dbraw/zinc/14/65/17/722146517.db2.gz NMRSYQKYGBONIV-FYYLOGMGSA-N 2 1 407.562 2.798 20 0 HFADMP C[N@@H+]1CC[C@@]2(CCN(Cn3nc(C[NH+]4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745139 1078288537 /nfs/dbraw/zinc/28/85/37/1078288537.db2.gz MLRYAMIQRSVCTC-JOCHJYFZSA-N 2 1 412.607 2.984 20 0 HFADMP C[N@H+]1CC[C@@]2(CCN(Cn3nc(C[NH+]4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745139 1078288540 /nfs/dbraw/zinc/28/85/40/1078288540.db2.gz MLRYAMIQRSVCTC-JOCHJYFZSA-N 2 1 412.607 2.984 20 0 HFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303307 1076752066 /nfs/dbraw/zinc/75/20/66/1076752066.db2.gz KYDWMALSXHAFDZ-QAPCUYQASA-N 2 1 404.523 2.910 20 0 HFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303307 1076752070 /nfs/dbraw/zinc/75/20/70/1076752070.db2.gz KYDWMALSXHAFDZ-QAPCUYQASA-N 2 1 404.523 2.910 20 0 HFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787904242 1076988588 /nfs/dbraw/zinc/98/85/88/1076988588.db2.gz QHXIGBILTBNGSZ-HXUWFJFHSA-N 2 1 420.642 2.918 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000788732076 1077284358 /nfs/dbraw/zinc/28/43/58/1077284358.db2.gz CSGDRTVZGYEHAI-HXUWFJFHSA-N 2 1 401.551 2.742 20 0 HFADMP CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001691696045 1077486849 /nfs/dbraw/zinc/48/68/49/1077486849.db2.gz OVRAXVHYNUFAIA-BGYRXZFFSA-N 2 1 406.619 2.823 20 0 HFADMP CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001691696045 1077486852 /nfs/dbraw/zinc/48/68/52/1077486852.db2.gz OVRAXVHYNUFAIA-BGYRXZFFSA-N 2 1 406.619 2.823 20 0 HFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792056705 1077661851 /nfs/dbraw/zinc/66/18/51/1077661851.db2.gz IVAPHRISWLEAMF-WOJBJXKFSA-N 2 1 424.630 2.804 20 0 HFADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000792165926 1077731986 /nfs/dbraw/zinc/73/19/86/1077731986.db2.gz MKOPKVXWONIKLA-IBGZPJMESA-N 2 1 418.582 2.566 20 0 HFADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000792165926 1077731988 /nfs/dbraw/zinc/73/19/88/1077731988.db2.gz MKOPKVXWONIKLA-IBGZPJMESA-N 2 1 418.582 2.566 20 0 HFADMP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000790382175 1078010124 /nfs/dbraw/zinc/01/01/24/1078010124.db2.gz FBEADMPVTAXYKX-VWPQPMDRSA-N 2 1 403.498 2.852 20 0 HFADMP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000790382175 1078010129 /nfs/dbraw/zinc/01/01/29/1078010129.db2.gz FBEADMPVTAXYKX-VWPQPMDRSA-N 2 1 403.498 2.852 20 0 HFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164406478 718864297 /nfs/dbraw/zinc/86/42/97/718864297.db2.gz GYWAUIXVIOBRBU-SJORKVTESA-N 2 1 403.596 2.965 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)NCc2ccccc2)c2c1CC[NH2+]C2 ZINC001164685726 719607867 /nfs/dbraw/zinc/60/78/67/719607867.db2.gz VQFHXLUTAQCNJE-UHFFFAOYSA-N 2 1 418.545 2.683 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)NCc2ccccc2)c2c1CC[NH2+]C2 ZINC001164685726 719607882 /nfs/dbraw/zinc/60/78/82/719607882.db2.gz VQFHXLUTAQCNJE-UHFFFAOYSA-N 2 1 418.545 2.683 20 0 HFADMP COc1cccc2nc(Cl)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c21 ZINC001164682063 719625339 /nfs/dbraw/zinc/62/53/39/719625339.db2.gz LQZRPCMUIJZHFC-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COc1cccc2nc(Cl)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c21 ZINC001164682063 719625355 /nfs/dbraw/zinc/62/53/55/719625355.db2.gz LQZRPCMUIJZHFC-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682993 719627986 /nfs/dbraw/zinc/62/79/86/719627986.db2.gz QHCVFNDVYQYOCP-UHFFFAOYSA-N 2 1 418.973 2.935 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682993 719627991 /nfs/dbraw/zinc/62/79/91/719627991.db2.gz QHCVFNDVYQYOCP-UHFFFAOYSA-N 2 1 418.973 2.935 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2c3c(nnc2Cl)CCC3)c2c1CC[NH2+]C2 ZINC001164679757 719640319 /nfs/dbraw/zinc/64/03/19/719640319.db2.gz MAWGIDOTWZGIOV-UHFFFAOYSA-N 2 1 410.900 2.899 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2c3c(nnc2Cl)CCC3)c2c1CC[NH2+]C2 ZINC001164679757 719640325 /nfs/dbraw/zinc/64/03/25/719640325.db2.gz MAWGIDOTWZGIOV-UHFFFAOYSA-N 2 1 410.900 2.899 20 0 HFADMP Clc1nc2c(c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n1)C[NH2+]CC2 ZINC001164703472 719886222 /nfs/dbraw/zinc/88/62/22/719886222.db2.gz SLZHLMSVIQMGDJ-UHFFFAOYSA-N 2 1 419.982 2.709 20 0 HFADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164712004 720092552 /nfs/dbraw/zinc/09/25/52/720092552.db2.gz TWLNWKGKGWXSIE-FQEVSTJZSA-N 2 1 408.550 2.953 20 0 HFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164712004 720092561 /nfs/dbraw/zinc/09/25/61/720092561.db2.gz TWLNWKGKGWXSIE-FQEVSTJZSA-N 2 1 408.550 2.953 20 0 HFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816614 720152525 /nfs/dbraw/zinc/15/25/25/720152525.db2.gz LWZQXAQFHJRBKI-QPPBQGQZSA-N 2 1 414.594 2.741 20 0 HFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749515 720838388 /nfs/dbraw/zinc/83/83/88/720838388.db2.gz WBMRMCKIIWAWMF-ILWGZMRPSA-N 2 1 407.566 2.653 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859241 720887544 /nfs/dbraw/zinc/88/75/44/720887544.db2.gz MCPWOXRKFFQZFW-YPAWHYETSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859241 720887546 /nfs/dbraw/zinc/88/75/46/720887546.db2.gz MCPWOXRKFFQZFW-YPAWHYETSA-N 2 1 402.583 2.802 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859241 720887547 /nfs/dbraw/zinc/88/75/47/720887547.db2.gz MCPWOXRKFFQZFW-YPAWHYETSA-N 2 1 402.583 2.802 20 0 HFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789915 721402425 /nfs/dbraw/zinc/40/24/25/721402425.db2.gz VEMAMLWGQOXOIR-HUUCEWRRSA-N 2 1 404.971 2.622 20 0 HFADMP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164945993 721976539 /nfs/dbraw/zinc/97/65/39/721976539.db2.gz IEFZIGDQTOKLMD-UHFFFAOYSA-N 2 1 405.546 2.653 20 0 HFADMP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164945993 721976541 /nfs/dbraw/zinc/97/65/41/721976541.db2.gz IEFZIGDQTOKLMD-UHFFFAOYSA-N 2 1 405.546 2.653 20 0 HFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793914561 1078336488 /nfs/dbraw/zinc/33/64/88/1078336488.db2.gz UWLNFUFRHYTOBH-HSALFYBXSA-N 2 1 420.642 2.630 20 0 HFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299133 1076747452 /nfs/dbraw/zinc/74/74/52/1076747452.db2.gz FTRDFKXYWYRYIA-HZPDHXFCSA-N 2 1 407.518 2.953 20 0 HFADMP C[N@@H+](CCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000787688512 1076912840 /nfs/dbraw/zinc/91/28/40/1076912840.db2.gz JGRDYBYHERAQSZ-UHFFFAOYSA-N 2 1 406.615 2.671 20 0 HFADMP CC1(C)CC[N@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377017 1077133514 /nfs/dbraw/zinc/13/35/14/1077133514.db2.gz DFRFGEQVRYVFSX-JOCHJYFZSA-N 2 1 416.591 2.748 20 0 HFADMP CC1(C)CC[N@@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377017 1077133518 /nfs/dbraw/zinc/13/35/18/1077133518.db2.gz DFRFGEQVRYVFSX-JOCHJYFZSA-N 2 1 416.591 2.748 20 0 HFADMP CC1(C)CC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377017 1077133521 /nfs/dbraw/zinc/13/35/21/1077133521.db2.gz DFRFGEQVRYVFSX-JOCHJYFZSA-N 2 1 416.591 2.748 20 0 HFADMP CC1(C)CC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377017 1077133523 /nfs/dbraw/zinc/13/35/23/1077133523.db2.gz DFRFGEQVRYVFSX-JOCHJYFZSA-N 2 1 416.591 2.748 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815806 1077583786 /nfs/dbraw/zinc/58/37/86/1077583786.db2.gz NLOQOSQZVBSOEM-MJGOQNOKSA-N 2 1 407.942 2.713 20 0 HFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815806 1077583789 /nfs/dbraw/zinc/58/37/89/1077583789.db2.gz NLOQOSQZVBSOEM-MJGOQNOKSA-N 2 1 407.942 2.713 20 0 HFADMP C[NH+](C)CCOc1cccc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792115612 1077702485 /nfs/dbraw/zinc/70/24/85/1077702485.db2.gz PZOVLKCRLGGDCD-UHFFFAOYSA-N 2 1 420.554 2.508 20 0 HFADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001170275505 1077926420 /nfs/dbraw/zinc/92/64/20/1077926420.db2.gz WSDOBYLTSXPTIM-GOSISDBHSA-N 2 1 407.986 2.774 20 0 HFADMP C[C@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001170275505 1077926423 /nfs/dbraw/zinc/92/64/23/1077926423.db2.gz WSDOBYLTSXPTIM-GOSISDBHSA-N 2 1 407.986 2.774 20 0 HFADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001170280676 1077936546 /nfs/dbraw/zinc/93/65/46/1077936546.db2.gz NQJSJYDDYSHBRB-YADHBBJMSA-N 2 1 415.578 2.741 20 0 HFADMP CC[N@@H+](CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367692 1078015748 /nfs/dbraw/zinc/01/57/48/1078015748.db2.gz HCRQKRVYRBWNCY-QHCPKHFHSA-N 2 1 404.599 2.695 20 0 HFADMP O=C1O[C@@]2(CN1CN1CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372281 1078017370 /nfs/dbraw/zinc/01/73/70/1078017370.db2.gz PNRSYSJSSXNNSA-GZGNHOFSSA-N 2 1 424.589 2.847 20 0 HFADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000806738576 1079929579 /nfs/dbraw/zinc/92/95/79/1079929579.db2.gz ILJVYXWFWFGKCG-FSSWDIPSSA-N 2 1 402.583 2.650 20 0 HFADMP CCOC(=O)c1c(C)cc(Cl)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685153 719615473 /nfs/dbraw/zinc/61/54/73/719615473.db2.gz SCWBIQARXWKUKR-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP CCOC(=O)c1c(C)cc(Cl)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685153 719615478 /nfs/dbraw/zinc/61/54/78/719615478.db2.gz SCWBIQARXWKUKR-UHFFFAOYSA-N 2 1 405.930 2.892 20 0 HFADMP COc1ccc2nc(Cl)cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2n1 ZINC001164681984 719625661 /nfs/dbraw/zinc/62/56/61/719625661.db2.gz KPVBBHDDULPYPP-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COc1ccc2nc(Cl)cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2n1 ZINC001164681984 719625669 /nfs/dbraw/zinc/62/56/69/719625669.db2.gz KPVBBHDDULPYPP-UHFFFAOYSA-N 2 1 400.914 2.963 20 0 HFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164712506 720097772 /nfs/dbraw/zinc/09/77/72/720097772.db2.gz WKCASRDCUSEETH-FQEVSTJZSA-N 2 1 410.566 2.754 20 0 HFADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164712506 720097780 /nfs/dbraw/zinc/09/77/80/720097780.db2.gz WKCASRDCUSEETH-FQEVSTJZSA-N 2 1 410.566 2.754 20 0 HFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)nc(C)[nH+]1)CC2 ZINC001164712506 720097787 /nfs/dbraw/zinc/09/77/87/720097787.db2.gz WKCASRDCUSEETH-FQEVSTJZSA-N 2 1 410.566 2.754 20 0 HFADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164840459 720692868 /nfs/dbraw/zinc/69/28/68/720692868.db2.gz DZXRIOLYWFHZHT-GOSISDBHSA-N 2 1 408.502 2.672 20 0 HFADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164840459 720692874 /nfs/dbraw/zinc/69/28/74/720692874.db2.gz DZXRIOLYWFHZHT-GOSISDBHSA-N 2 1 408.502 2.672 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745843 720773331 /nfs/dbraw/zinc/77/33/31/720773331.db2.gz WAQXGFHHKUTZCT-PMACEKPBSA-N 2 1 416.529 2.967 20 0 HFADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745843 720773338 /nfs/dbraw/zinc/77/33/38/720773338.db2.gz WAQXGFHHKUTZCT-PMACEKPBSA-N 2 1 416.529 2.967 20 0 HFADMP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749517 720837934 /nfs/dbraw/zinc/83/79/34/720837934.db2.gz WBMRMCKIIWAWMF-KSEOMHKRSA-N 2 1 407.566 2.653 20 0 HFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164784114 721370746 /nfs/dbraw/zinc/37/07/46/721370746.db2.gz QLYWYIBTKVTXAC-HSZRJFAPSA-N 2 1 413.566 2.867 20 0 HFADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164790378 721448642 /nfs/dbraw/zinc/44/86/42/721448642.db2.gz YPSHGOQSECEGHR-HXUWFJFHSA-N 2 1 415.582 2.785 20 0 HFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(NC3CC3)cc[nH+]1)CC2 ZINC001164790378 721448644 /nfs/dbraw/zinc/44/86/44/721448644.db2.gz YPSHGOQSECEGHR-HXUWFJFHSA-N 2 1 415.582 2.785 20 0 HFADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC3)C2)cc1 ZINC001164944475 721933735 /nfs/dbraw/zinc/93/37/35/721933735.db2.gz SFRIZHSKDHRFGT-UHFFFAOYSA-N 2 1 407.562 2.652 20 0 HFADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164961925 722051690 /nfs/dbraw/zinc/05/16/90/722051690.db2.gz YXCVTRUNSQCBRQ-UHFFFAOYSA-N 2 1 410.566 2.755 20 0 HFADMP O=C(c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC001164994095 722204035 /nfs/dbraw/zinc/20/40/35/722204035.db2.gz FSRIQLSXSYBFTR-DEOSSOPVSA-N 2 1 423.536 2.511 20 0 HFADMP C[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793164413 1078085759 /nfs/dbraw/zinc/08/57/59/1078085759.db2.gz WEJPNDVDMIRHTB-IRXDYDNUSA-N 2 1 417.554 2.808 20 0 HFADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC2)cc1 ZINC001170444349 1078394716 /nfs/dbraw/zinc/39/47/16/1078394716.db2.gz YPRUQNBGPIYBGS-ISKFKSNPSA-N 2 1 419.610 2.608 20 0 HFADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC2)cc1 ZINC001170444349 1078394721 /nfs/dbraw/zinc/39/47/21/1078394721.db2.gz YPRUQNBGPIYBGS-ISKFKSNPSA-N 2 1 419.610 2.608 20 0 HFADMP Cc1c[nH+]cn1CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129611153 1078581877 /nfs/dbraw/zinc/58/18/77/1078581877.db2.gz FIILRSJKLHRYIW-UHFFFAOYSA-N 2 1 401.942 2.658 20 0 HFADMP CC[C@H]1CC([NH2+]CCC(=O)N2CC[NH+](C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170471709 1078781539 /nfs/dbraw/zinc/78/15/39/1078781539.db2.gz UQMMIXXZGFICDX-OALUTQOASA-N 2 1 410.603 2.697 20 0 HFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306233 /nfs/dbraw/zinc/30/62/33/1079306233.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306239 /nfs/dbraw/zinc/30/62/39/1079306239.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 2 1 416.347 2.857 20 0 HFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306246 /nfs/dbraw/zinc/30/62/46/1079306246.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 2 1 416.347 2.857 20 0 HFADMP CCOC(=O)C[NH+]1CCC(COC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000805878854 1079318870 /nfs/dbraw/zinc/31/88/70/1079318870.db2.gz VKITYWDZZIGHGE-UHFFFAOYSA-N 2 1 402.535 2.717 20 0 HFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300971 1076748654 /nfs/dbraw/zinc/74/86/54/1076748654.db2.gz ZYODKCHGPKNUDT-OVNVTHAWSA-N 2 1 416.587 2.870 20 0 HFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000787764101 1076930872 /nfs/dbraw/zinc/93/08/72/1076930872.db2.gz YHXBDNLQOIVZIG-ZDUSSCGKSA-N 2 1 402.296 2.678 20 0 HFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252100 1077087281 /nfs/dbraw/zinc/08/72/81/1077087281.db2.gz YNWIKVHNOACALW-OALUTQOASA-N 2 1 410.603 2.745 20 0 HFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252107 1077087301 /nfs/dbraw/zinc/08/73/01/1077087301.db2.gz YNWIKVHNOACALW-RTBURBONSA-N 2 1 410.603 2.745 20 0 HFADMP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672882 1077262760 /nfs/dbraw/zinc/26/27/60/1077262760.db2.gz SSKVQOQUFGPOGC-QYZOEREBSA-N 2 1 411.587 2.885 20 0 HFADMP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672882 1077262764 /nfs/dbraw/zinc/26/27/64/1077262764.db2.gz SSKVQOQUFGPOGC-QYZOEREBSA-N 2 1 411.587 2.885 20 0 HFADMP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672880 1077262820 /nfs/dbraw/zinc/26/28/20/1077262820.db2.gz SSKVQOQUFGPOGC-OTWHNJEPSA-N 2 1 411.587 2.885 20 0 HFADMP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672880 1077262822 /nfs/dbraw/zinc/26/28/22/1077262822.db2.gz SSKVQOQUFGPOGC-OTWHNJEPSA-N 2 1 411.587 2.885 20 0 HFADMP CCOC(=O)C1([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788694511 1077274661 /nfs/dbraw/zinc/27/46/61/1077274661.db2.gz VBTKMLGDNKYYDH-QGZVFWFLSA-N 2 1 409.571 2.807 20 0 HFADMP CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000791735892 1077544468 /nfs/dbraw/zinc/54/44/68/1077544468.db2.gz ZWWZKDUNIJXGFJ-SFTDATJTSA-N 2 1 417.594 2.869 20 0 HFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792056703 1077661970 /nfs/dbraw/zinc/66/19/70/1077661970.db2.gz IVAPHRISWLEAMF-BGYRXZFFSA-N 2 1 424.630 2.804 20 0 HFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792056703 1077661975 /nfs/dbraw/zinc/66/19/75/1077661975.db2.gz IVAPHRISWLEAMF-BGYRXZFFSA-N 2 1 424.630 2.804 20 0 HFADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792057280 1077663505 /nfs/dbraw/zinc/66/35/05/1077663505.db2.gz OUDRTCNDSVJNMP-LJQANCHMSA-N 2 1 410.603 2.700 20 0 HFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792057280 1077663514 /nfs/dbraw/zinc/66/35/14/1077663514.db2.gz OUDRTCNDSVJNMP-LJQANCHMSA-N 2 1 410.603 2.700 20 0 HFADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792080919 1077706788 /nfs/dbraw/zinc/70/67/88/1077706788.db2.gz GKDLOEWWQBUZCA-GOSISDBHSA-N 2 1 410.603 2.556 20 0 HFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792080919 1077706793 /nfs/dbraw/zinc/70/67/93/1077706793.db2.gz GKDLOEWWQBUZCA-GOSISDBHSA-N 2 1 410.603 2.556 20 0 HFADMP C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260968 1077784256 /nfs/dbraw/zinc/78/42/56/1077784256.db2.gz RDRGMCXVRUCMDQ-GBESFXJTSA-N 2 1 404.551 2.744 20 0 HFADMP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260968 1077784261 /nfs/dbraw/zinc/78/42/61/1077784261.db2.gz RDRGMCXVRUCMDQ-GBESFXJTSA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260968 1077784267 /nfs/dbraw/zinc/78/42/67/1077784267.db2.gz RDRGMCXVRUCMDQ-GBESFXJTSA-N 2 1 404.551 2.744 20 0 HFADMP C[NH+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260968 1077784273 /nfs/dbraw/zinc/78/42/73/1077784273.db2.gz RDRGMCXVRUCMDQ-GBESFXJTSA-N 2 1 404.551 2.744 20 0 HFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364621 1078014782 /nfs/dbraw/zinc/01/47/82/1078014782.db2.gz AQYMGBDZKNCSIS-WMZHIEFXSA-N 2 1 409.534 2.683 20 0 HFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364621 1078014786 /nfs/dbraw/zinc/01/47/86/1078014786.db2.gz AQYMGBDZKNCSIS-WMZHIEFXSA-N 2 1 409.534 2.683 20 0 HFADMP O=C1O[C@@]2(CN1CN1CC[C@@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372502 1078017485 /nfs/dbraw/zinc/01/74/85/1078017485.db2.gz WLHZYPXYABRUES-LOSJGSFVSA-N 2 1 424.589 2.849 20 0 HFADMP O=C1O[C@@]2(CN1CN1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376920 1078018414 /nfs/dbraw/zinc/01/84/14/1078018414.db2.gz WNGNRQSTBSEJQY-RUZDIDTESA-N 3 1 424.589 2.849 20 0 HFADMP O=C1O[C@@]2(CN1C[NH+]1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376920 1078018422 /nfs/dbraw/zinc/01/84/22/1078018422.db2.gz WNGNRQSTBSEJQY-RUZDIDTESA-N 3 1 424.589 2.849 20 0 HFADMP O=C1O[C@@]2(CN1C[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376920 1078018427 /nfs/dbraw/zinc/01/84/27/1078018427.db2.gz WNGNRQSTBSEJQY-RUZDIDTESA-N 3 1 424.589 2.849 20 0 HFADMP C(c1nc2sc3c(c2c(N2CCOCC24C[NH2+]C4)n1)CCCC3)[NH+]1CCCCC1 ZINC001164402709 718860451 /nfs/dbraw/zinc/86/04/51/718860451.db2.gz LRWNZPUTWUVTTJ-UHFFFAOYSA-N 2 1 413.591 2.735 20 0 HFADMP COC(=O)C[C@H](c1ccnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1)C1CC1 ZINC001164680121 719637145 /nfs/dbraw/zinc/63/71/45/719637145.db2.gz OVUBMDFDKLOWHF-IBGZPJMESA-N 2 1 411.550 2.810 20 0 HFADMP COC(=O)C[C@H](c1ccnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1)C1CC1 ZINC001164680121 719637150 /nfs/dbraw/zinc/63/71/50/719637150.db2.gz OVUBMDFDKLOWHF-IBGZPJMESA-N 2 1 411.550 2.810 20 0 HFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cn2)c2c1CC[NH2+]C2 ZINC001164680565 719637863 /nfs/dbraw/zinc/63/78/63/719637863.db2.gz WEDSYEBXIXCTAQ-QGZVFWFLSA-N 2 1 410.566 2.625 20 0 HFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cn2)c2c1CC[NH2+]C2 ZINC001164680565 719637869 /nfs/dbraw/zinc/63/78/69/719637869.db2.gz WEDSYEBXIXCTAQ-QGZVFWFLSA-N 2 1 410.566 2.625 20 0 HFADMP COc1ccc(-c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c(OC)c1 ZINC001164680607 719644338 /nfs/dbraw/zinc/64/43/38/719644338.db2.gz YDVDXOFZAJQHGS-UHFFFAOYSA-N 2 1 422.533 2.832 20 0 HFADMP COc1ccc(-c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c(OC)c1 ZINC001164680607 719644343 /nfs/dbraw/zinc/64/43/43/719644343.db2.gz YDVDXOFZAJQHGS-UHFFFAOYSA-N 2 1 422.533 2.832 20 0 HFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748789 720800828 /nfs/dbraw/zinc/80/08/28/720800828.db2.gz RLDKGGOLSGOYLL-RZUBCFFCSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748789 720800829 /nfs/dbraw/zinc/80/08/29/720800829.db2.gz RLDKGGOLSGOYLL-RZUBCFFCSA-N 2 1 408.550 2.760 20 0 HFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748789 720800831 /nfs/dbraw/zinc/80/08/31/720800831.db2.gz RLDKGGOLSGOYLL-RZUBCFFCSA-N 2 1 408.550 2.760 20 0 HFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749509 720838083 /nfs/dbraw/zinc/83/80/83/720838083.db2.gz WBMRMCKIIWAWMF-BAGYTPMASA-N 2 1 407.566 2.653 20 0 HFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164805669 721576281 /nfs/dbraw/zinc/57/62/81/721576281.db2.gz OKCHQVHZGWMKAW-WMTXJRDZSA-N 2 1 407.562 2.941 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165023160 721824682 /nfs/dbraw/zinc/82/46/82/721824682.db2.gz HUXVJKRSCCHIBA-STZQEDGTSA-N 2 1 422.577 2.739 20 0 HFADMP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000793700806 1078273831 /nfs/dbraw/zinc/27/38/31/1078273831.db2.gz OZBLZWGUFDZBTH-ONTIZHBOSA-N 2 1 414.594 2.661 20 0 HFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793908615 1078334566 /nfs/dbraw/zinc/33/45/66/1078334566.db2.gz KJIAZWQTQKXZIE-XEVCZEQESA-N 2 1 406.615 2.526 20 0 HFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793912160 1078336084 /nfs/dbraw/zinc/33/60/84/1078336084.db2.gz OAFPBYWGXZKUGZ-WHSGIHJSSA-N 2 1 420.642 2.772 20 0 HFADMP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000804380463 1078440562 /nfs/dbraw/zinc/44/05/62/1078440562.db2.gz VVAFATHTHAVCSN-NHCUHLMSSA-N 2 1 408.631 2.822 20 0 HFADMP CCCN(CC[NH+]1CCCCC1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000804566615 1078602986 /nfs/dbraw/zinc/60/29/86/1078602986.db2.gz XJSKTIKYUGOZNS-UHFFFAOYSA-N 2 1 410.603 2.700 20 0 HFADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccccc3Cn3cc[nH+]c3N)C=C2)CC1 ZINC001170501188 1079498161 /nfs/dbraw/zinc/49/81/61/1079498161.db2.gz WEIYCSKQBFEVIF-LMDPOFIKSA-N 3 1 418.545 2.885 20 0 HFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299129 1076747484 /nfs/dbraw/zinc/74/74/84/1076747484.db2.gz FTRDFKXYWYRYIA-BRLLKYFNSA-N 2 1 407.518 2.953 20 0 HFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299129 1076747490 /nfs/dbraw/zinc/74/74/90/1076747490.db2.gz FTRDFKXYWYRYIA-BRLLKYFNSA-N 2 1 407.518 2.953 20 0 HFADMP C[C@@H](CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000787611716 1076878304 /nfs/dbraw/zinc/87/83/04/1076878304.db2.gz VSUZPIZNGQTDTM-PXNSSMCTSA-N 2 1 420.985 2.584 20 0 HFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787914303 1076993227 /nfs/dbraw/zinc/99/32/27/1076993227.db2.gz YYEXXJYFACICJV-HXUWFJFHSA-N 2 1 420.642 2.776 20 0 HFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252096 1077087260 /nfs/dbraw/zinc/08/72/60/1077087260.db2.gz YNWIKVHNOACALW-MOPGFXCFSA-N 2 1 410.603 2.745 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)C2)C1 ZINC000788601395 1077219145 /nfs/dbraw/zinc/21/91/45/1077219145.db2.gz JGFAKPBRQRPOJB-PZJWPPBQSA-N 2 1 415.578 2.859 20 0 HFADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)C2)C1 ZINC000788601395 1077219149 /nfs/dbraw/zinc/21/91/49/1077219149.db2.gz JGFAKPBRQRPOJB-PZJWPPBQSA-N 2 1 415.578 2.859 20 0 HFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600902 1077219612 /nfs/dbraw/zinc/21/96/12/1077219612.db2.gz FKUKWFVKBRHOIG-WMQCIHAUSA-N 2 1 403.567 2.714 20 0 HFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600902 1077219613 /nfs/dbraw/zinc/21/96/13/1077219613.db2.gz FKUKWFVKBRHOIG-WMQCIHAUSA-N 2 1 403.567 2.714 20 0 HFADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000788846108 1077318416 /nfs/dbraw/zinc/31/84/16/1077318416.db2.gz GLAVYZGULVOHQK-HXUWFJFHSA-N 2 1 424.630 2.659 20 0 HFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000791541898 1077459160 /nfs/dbraw/zinc/45/91/60/1077459160.db2.gz CXEDFKWUNRIMCM-SFHVURJKSA-N 2 1 417.307 2.538 20 0 HFADMP CC(C)N1CC[NH+](CCCOC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000791812234 1077563631 /nfs/dbraw/zinc/56/36/31/1077563631.db2.gz RRRRNWHLQNSVFL-UHFFFAOYSA-N 2 1 416.610 2.790 20 0 HFADMP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792052142 1077695508 /nfs/dbraw/zinc/69/55/08/1077695508.db2.gz HPYRFQFCAYDOLT-UHFFFAOYSA-N 2 1 420.554 2.638 20 0 HFADMP O=C1O[C@@]2(CN1C[NH+]1CCC(CN3CCc4ccccc43)CC1)C[NH+]1CCC2CC1 ZINC000790362972 1078004627 /nfs/dbraw/zinc/00/46/27/1078004627.db2.gz QDMIRMFSMYZNMX-XMMPIXPASA-N 2 1 410.562 2.635 20 0 HFADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000806240654 1079517883 /nfs/dbraw/zinc/51/78/83/1079517883.db2.gz SNLYHVQREMGKJF-WCRBZPEASA-N 2 1 413.566 2.553 20 0 HFADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000806240654 1079517889 /nfs/dbraw/zinc/51/78/89/1079517889.db2.gz SNLYHVQREMGKJF-WCRBZPEASA-N 2 1 413.566 2.553 20 0 HFADMP CCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627354 719087608 /nfs/dbraw/zinc/08/76/08/719087608.db2.gz JWMYVLMFORBUAT-UNMCSNQZSA-N 2 1 407.562 2.976 20 0 HFADMP CCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001164627354 719087612 /nfs/dbraw/zinc/08/76/12/719087612.db2.gz JWMYVLMFORBUAT-UNMCSNQZSA-N 2 1 407.562 2.976 20 0 HFADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(OCC3CC[NH2+]CC3)nn2)cc1 ZINC001164626033 719107089 /nfs/dbraw/zinc/10/70/89/719107089.db2.gz ICESBWJTVVEKQZ-VXKWHMMOSA-N 2 1 407.562 2.956 20 0 HFADMP C[N@@H+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741793 720851173 /nfs/dbraw/zinc/85/11/73/720851173.db2.gz FOOMROASVPABBI-MDNUFGMLSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741793 720851175 /nfs/dbraw/zinc/85/11/75/720851175.db2.gz FOOMROASVPABBI-MDNUFGMLSA-N 2 1 421.593 2.647 20 0 HFADMP C[NH+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741793 720851176 /nfs/dbraw/zinc/85/11/76/720851176.db2.gz FOOMROASVPABBI-MDNUFGMLSA-N 2 1 421.593 2.647 20 0 HFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858204 720860164 /nfs/dbraw/zinc/86/01/64/720860164.db2.gz RQBOFLPMKHNEAQ-IFMALSPDSA-N 2 1 421.545 2.653 20 0 HFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858204 720860166 /nfs/dbraw/zinc/86/01/66/720860166.db2.gz RQBOFLPMKHNEAQ-IFMALSPDSA-N 2 1 421.545 2.653 20 0 HFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@H]2C1 ZINC001164855473 720860951 /nfs/dbraw/zinc/86/09/51/720860951.db2.gz MWMWDWKFOKBZRV-PKOBYXMFSA-N 2 1 408.974 2.504 20 0 HFADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC[C@H]2C1 ZINC001164855473 720860952 /nfs/dbraw/zinc/86/09/52/720860952.db2.gz MWMWDWKFOKBZRV-PKOBYXMFSA-N 2 1 408.974 2.504 20 0 HFADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164796794 721498019 /nfs/dbraw/zinc/49/80/19/721498019.db2.gz YEDXHUYFUSYYND-UHFFFAOYSA-N 2 1 421.593 2.680 20 0 HFADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164796794 721498024 /nfs/dbraw/zinc/49/80/24/721498024.db2.gz YEDXHUYFUSYYND-UHFFFAOYSA-N 3 1 421.593 2.680 20 0 HFADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164796794 721498037 /nfs/dbraw/zinc/49/80/37/721498037.db2.gz YEDXHUYFUSYYND-UHFFFAOYSA-N 3 1 421.593 2.680 20 0 HFADMP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164812236 721582751 /nfs/dbraw/zinc/58/27/51/721582751.db2.gz ZRBSUOZLEQKNED-FIXSFTCYSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164812236 721582753 /nfs/dbraw/zinc/58/27/53/721582753.db2.gz ZRBSUOZLEQKNED-FIXSFTCYSA-N 2 1 407.562 2.939 20 0 HFADMP C[NH+](Cc1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164812236 721582756 /nfs/dbraw/zinc/58/27/56/721582756.db2.gz ZRBSUOZLEQKNED-FIXSFTCYSA-N 2 1 407.562 2.939 20 0 HFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@@H]21 ZINC001165021370 721800040 /nfs/dbraw/zinc/80/00/40/721800040.db2.gz GNZMRADCHFOSQD-ZAAXVRCTSA-N 2 1 412.969 2.908 20 0 HFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3C2)c1 ZINC001164973864 722155671 /nfs/dbraw/zinc/15/56/71/722155671.db2.gz NEOSSUBVRGTBLN-GGAORHGYSA-N 2 1 407.562 2.800 20 0 HFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793908613 1078334498 /nfs/dbraw/zinc/33/44/98/1078334498.db2.gz KJIAZWQTQKXZIE-HDYDNRTBSA-N 2 1 406.615 2.526 20 0 HFADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001170443797 1078381188 /nfs/dbraw/zinc/38/11/88/1078381188.db2.gz TWEWKGKIFWXJKB-LADGPHEKSA-N 2 1 403.611 2.908 20 0 HFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000787901684 1077004438 /nfs/dbraw/zinc/00/44/38/1077004438.db2.gz CFPUMVIVHYZEOO-MWXLCCTBSA-N 2 1 406.615 2.671 20 0 HFADMP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc(Br)cc2c[nH+]cn21 ZINC001170167389 1077864545 /nfs/dbraw/zinc/86/45/45/1077864545.db2.gz FIEWJONKQDIQRX-UHFFFAOYSA-N 2 1 415.295 2.965 20 0 HFADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806814776 1080026896 /nfs/dbraw/zinc/02/68/96/1080026896.db2.gz VCXUQNXEKBTANW-STZQEDGTSA-N 2 1 400.567 2.592 20 0 HFADMP CCOC(=O)C1=C(N=c2nc[nH]c3c2C[NH+](C)CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC001170521017 1080440957 /nfs/dbraw/zinc/44/09/57/1080440957.db2.gz DVNIJWNBSRLTHE-UHFFFAOYSA-N 2 1 407.518 2.600 20 0 HFADMP CCOC(=O)C1=C(N=c2nc[nH]c3c2C[N@H+](C)CC3)CC[NH+](Cc2ccccc2)C1 ZINC001170521017 1080440961 /nfs/dbraw/zinc/44/09/61/1080440961.db2.gz DVNIJWNBSRLTHE-UHFFFAOYSA-N 2 1 407.518 2.600 20 0 HFADMP CCOC(=O)C1=C(N=c2nc[nH]c3c2C[N@@H+](C)CC3)CC[NH+](Cc2ccccc2)C1 ZINC001170521017 1080440964 /nfs/dbraw/zinc/44/09/64/1080440964.db2.gz DVNIJWNBSRLTHE-UHFFFAOYSA-N 2 1 407.518 2.600 20 0 HFADMP