smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCN([C@H]2[C@@H](CNC(=O)c3ccc(F)c(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000030879752 291192193 /nfs/dbraw/zinc/19/21/93/291192193.db2.gz HGBIIWFXBBSIKW-VSZNYVQBSA-N 0 3 400.878 1.430 40 0 biogenic,in-vitro HDABHN COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)N3CCN(C)CC3)CC(=O)N(C)C2)c1 ZINC000096113397 291197115 /nfs/dbraw/zinc/19/71/15/291197115.db2.gz VCGZBOBEOJARNG-WOJBJXKFSA-N 0 3 416.566 1.576 40 0 biogenic,in-vitro HDABHN O=C(Cn1cc(C(=O)N2CCN3CCC[C@H]3C2)ccc1=O)NCc1ccc(F)cc1 ZINC000019750964 558270993 /nfs/dbraw/zinc/27/09/93/558270993.db2.gz GHHCCNBARMAMSW-IBGZPJMESA-N 0 3 412.465 1.224 40 0 HDABHN O=C(Cn1cc(C(=O)N2CCN3CCC[C@@H]3C2)ccc1=O)NCc1ccc(F)cc1 ZINC000019750962 558271030 /nfs/dbraw/zinc/27/10/30/558271030.db2.gz GHHCCNBARMAMSW-LJQANCHMSA-N 0 3 412.465 1.224 40 0 HDABHN C[C@H](C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)N1CCCC1 ZINC000019077815 558838551 /nfs/dbraw/zinc/83/85/51/558838551.db2.gz BIGJQHMBQNPUHO-OAHLLOKOSA-N 0 3 418.925 1.888 40 0 HDABHN O=C(COc1nsnc1N1CCOCC1)Nc1cccc(CN2CCCC2)c1 ZINC000019330693 558868190 /nfs/dbraw/zinc/86/81/90/558868190.db2.gz PLXSKKJVIXZOMS-UHFFFAOYSA-N 0 3 403.508 1.988 40 0 HDABHN CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019572732 558930825 /nfs/dbraw/zinc/93/08/25/558930825.db2.gz FQCIJJNWGJXOSM-OAHLLOKOSA-N 0 3 420.510 1.606 40 0 HDABHN CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(C(N)=O)cc3)C2)CC1 ZINC000072346260 558943175 /nfs/dbraw/zinc/94/31/75/558943175.db2.gz IIEGMFASKKGAFA-SFHVURJKSA-N 0 3 422.533 1.873 40 0 HDABHN CN1CCC(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2cccc(C(N)=O)c2)CC1 ZINC000072354946 558952311 /nfs/dbraw/zinc/95/23/11/558952311.db2.gz BCVQOMOXULTWEA-GOSISDBHSA-N 0 3 408.506 1.830 40 0 HDABHN Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662634 558953686 /nfs/dbraw/zinc/95/36/86/558953686.db2.gz UJTUWHCTKMTZKI-GOSISDBHSA-N 0 3 421.501 1.887 40 0 HDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585103780 559025711 /nfs/dbraw/zinc/02/57/11/559025711.db2.gz JOCFOMNJFNQLIN-WOJBJXKFSA-N 0 3 408.564 1.844 40 0 HDABHN COc1ncc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3ccon3)C2)cc1C ZINC000585109647 559029432 /nfs/dbraw/zinc/02/94/32/559029432.db2.gz YKUQBIISJRCVQR-QRQLOZEOSA-N 0 3 400.479 1.930 40 0 HDABHN O=C(c1ccccn1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036344 559089918 /nfs/dbraw/zinc/08/99/18/559089918.db2.gz DBRXKVHMCGSSSK-HSZRJFAPSA-N 0 3 405.502 1.721 40 0 HDABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262523 559111115 /nfs/dbraw/zinc/11/11/15/559111115.db2.gz KHFCHVBEGUSPDN-HXUWFJFHSA-N 0 3 414.502 1.796 40 0 HDABHN CCOCCOc1ccc(CN2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)cc1 ZINC000585269857 559116211 /nfs/dbraw/zinc/11/62/11/559116211.db2.gz MKSUEHAAXWCVMB-QFIPXVFZSA-N 0 3 405.539 1.203 40 0 HDABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)cc1 ZINC000585270509 559116301 /nfs/dbraw/zinc/11/63/01/559116301.db2.gz YEMCSSXPSZATEY-IBGZPJMESA-N 0 3 405.491 1.955 40 0 HDABHN CC(C)N1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585284554 559121201 /nfs/dbraw/zinc/12/12/01/559121201.db2.gz LTYDZMLKQXZDLE-FPOVZHCZSA-N 0 3 409.958 1.233 40 0 HDABHN CN(CCc1ccccn1)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585285745 559121744 /nfs/dbraw/zinc/12/17/44/559121744.db2.gz SKBSUDOPFSLRSM-UNMCSNQZSA-N 0 3 417.937 1.776 40 0 HDABHN CN1CCC(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000113965860 559184551 /nfs/dbraw/zinc/18/45/51/559184551.db2.gz DACPZCXURZULEC-UHFFFAOYSA-N 0 3 411.524 1.214 40 0 HDABHN CN(C)c1cc(N2CC[C@](O)(CNCc3ccc(OCCCO)cc3)C2)ncn1 ZINC000257238243 559284027 /nfs/dbraw/zinc/28/40/27/559284027.db2.gz HKCJJFRXCZTMNT-NRFANRHFSA-N 0 3 401.511 1.035 40 0 HDABHN CCOCCOc1ccc(CNC[C@@]2(O)CCN(c3cc(N(C)C)ncn3)C2)cc1 ZINC000257286770 559285525 /nfs/dbraw/zinc/28/55/25/559285525.db2.gz PMZJJIPVTDSPCJ-QFIPXVFZSA-N 0 3 415.538 1.689 40 0 HDABHN CCOc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCC(N)=O ZINC000007541494 560751571 /nfs/dbraw/zinc/75/15/71/560751571.db2.gz VCHMUJNJVMVCMR-UHFFFAOYSA-N 0 3 414.919 1.398 40 0 HDABHN CN(C)CCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000010111621 560763778 /nfs/dbraw/zinc/76/37/78/560763778.db2.gz OCIUTFGCOUSEHL-UHFFFAOYSA-N 0 3 405.520 1.709 40 0 HDABHN CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000224826010 568598708 /nfs/dbraw/zinc/59/87/08/568598708.db2.gz VZROSPCRRSBVGR-UHFFFAOYSA-N 0 3 422.595 1.807 40 0 HDABHN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000260897496 568743063 /nfs/dbraw/zinc/74/30/63/568743063.db2.gz MMBDSDSBIABFFZ-FQEVSTJZSA-N 0 3 422.595 1.807 40 0 HDABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)CC1 ZINC000257210199 568779218 /nfs/dbraw/zinc/77/92/18/568779218.db2.gz BTQDFRZKCKUINH-JOCHJYFZSA-N 0 3 415.513 1.820 40 0 HDABHN CCN(CC)CC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000257270308 568795791 /nfs/dbraw/zinc/79/57/91/568795791.db2.gz MTQMSVWLSBIUKV-GOSISDBHSA-N 0 3 424.549 1.966 40 0 HDABHN CN(Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257337877 568815347 /nfs/dbraw/zinc/81/53/47/568815347.db2.gz YUVWQGHATQGJML-WOIUINJBSA-N 0 3 419.566 1.504 40 0 HDABHN CN1CCCN(C(=O)c2nnc3n2CCOC32CCN(Cc3ccco3)CC2)CC1 ZINC000306123604 568886802 /nfs/dbraw/zinc/88/68/02/568886802.db2.gz ARHYXQDAOVKWTQ-UHFFFAOYSA-N 0 3 414.510 1.170 40 0 HDABHN Cn1cccc1CN1CCC2(CCn3c2nn(Cc2ccccc2)c(=O)c3=O)CC1 ZINC000306139127 568900872 /nfs/dbraw/zinc/90/08/72/568900872.db2.gz SQAJDOODWGFWDR-UHFFFAOYSA-N 0 3 405.502 1.729 40 0 HDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218155593 568926727 /nfs/dbraw/zinc/92/67/27/568926727.db2.gz GCKMDJHWZZIJJL-CMKODMSKSA-N 0 3 403.456 1.863 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c(C)c1C ZINC000224315281 569057088 /nfs/dbraw/zinc/05/70/88/569057088.db2.gz MTGGAVBHUVYWDE-UHFFFAOYSA-N 0 3 405.524 1.679 40 0 HDABHN CC(=O)N1CCC(N2CCC(O)(c3csc(CN4CC[C@@H](O)C4)n3)CC2)CC1 ZINC000225422126 291190295 /nfs/dbraw/zinc/19/02/95/291190295.db2.gz DYBHNSRZVBMUPG-QGZVFWFLSA-N 0 3 408.568 1.004 40 0 biogenic,in-vitro HDABHN COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N(C)Cc2ccccc2)O1 ZINC000030878622 291195175 /nfs/dbraw/zinc/19/51/75/291195175.db2.gz PKVUYHRFLRXKPX-ACRUOGEOSA-N 0 3 408.539 1.538 40 0 biogenic,in-vitro HDABHN COc1ccc(OC)c(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000010111527 557855209 /nfs/dbraw/zinc/85/52/09/557855209.db2.gz PDOVKNJXGTWHGO-UHFFFAOYSA-N 0 3 421.519 1.577 40 0 HDABHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000022935134 558526037 /nfs/dbraw/zinc/52/60/37/558526037.db2.gz SOPXFVZSSIMGOW-UHFFFAOYSA-N 0 3 422.595 1.537 40 0 HDABHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000022934854 558526073 /nfs/dbraw/zinc/52/60/73/558526073.db2.gz HNZIIICRGIBWFM-UHFFFAOYSA-N 0 3 408.568 1.147 40 0 HDABHN C[C@@H]1CN(c2nccc([C@@H]3CN(Cc4ccccn4)C[C@H]3C(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000019497723 558896304 /nfs/dbraw/zinc/89/63/04/558896304.db2.gz UVWNBTKHBFWNMH-HNBVOPMISA-N 0 3 424.549 1.789 40 0 HDABHN CCOC(=O)CNC(=O)[C@@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O ZINC000019530524 558911475 /nfs/dbraw/zinc/91/14/75/558911475.db2.gz MYRNYGYPVLMCPP-MRXNPFEDSA-N 0 3 417.506 1.362 40 0 HDABHN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC(C(N)=O)(N2CCOCC2)CC1 ZINC000019659225 558950649 /nfs/dbraw/zinc/95/06/49/558950649.db2.gz KKAZSFDUDOBJPO-UHFFFAOYSA-N 0 3 411.550 1.950 40 0 HDABHN Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019716377 558978153 /nfs/dbraw/zinc/97/81/53/558978153.db2.gz OSKJFFYKBDJBMK-UHFFFAOYSA-N 0 3 413.522 1.849 40 0 HDABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@H](O)C4)C3)CC2)c1 ZINC000585104852 559027256 /nfs/dbraw/zinc/02/72/56/559027256.db2.gz UKQXIUUAODMHPB-FXAWDEMLSA-N 0 3 404.507 1.782 40 0 HDABHN COCCOc1cc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585271158 559116643 /nfs/dbraw/zinc/11/66/43/559116643.db2.gz SEWVYZVGJWROPL-NRFANRHFSA-N 0 3 405.470 1.986 40 0 HDABHN CC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585283511 559120640 /nfs/dbraw/zinc/12/06/40/559120640.db2.gz RJIWMFXBIWZNEN-QHCPKHFHSA-N 0 3 420.550 1.427 40 0 HDABHN O=C(Cc1ccccc1)N1CC[C@](O)(CN2CCC(C(F)(F)F)CC2)[C@@H](O)C1 ZINC000585284944 559121306 /nfs/dbraw/zinc/12/13/06/559121306.db2.gz MFYZJLGUAUVTGW-HKUYNNGSSA-N 0 3 400.441 1.828 40 0 HDABHN CC(C)Oc1cccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1 ZINC000585289764 559122533 /nfs/dbraw/zinc/12/25/33/559122533.db2.gz JTGKWKLQIJKLJW-RTWAWAEBSA-N 0 3 420.531 1.360 40 0 HDABHN O=c1ccc(CNC[C@@]2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)c[nH]1 ZINC000604383354 568489604 /nfs/dbraw/zinc/48/96/04/568489604.db2.gz ZPYPRHGNYKYOFU-JLVBRIDZSA-N 0 3 413.396 1.872 40 0 biogenic,in-vitro HDABHN CN1CCN(c2ncc3c(n2)[C@@]2(CCN(Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158934 568747979 /nfs/dbraw/zinc/74/79/79/568747979.db2.gz WPMXHHFZCAZWQY-JOCHJYFZSA-N 0 3 413.497 1.747 40 0 HDABHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C)CC[C@H]2O ZINC000257296328 568803457 /nfs/dbraw/zinc/80/34/57/568803457.db2.gz RCHPMZUPFZCBAK-XFKSJGNHSA-N 0 3 412.490 1.046 40 0 HDABHN COC(=O)c1ccc(OC)c(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)c1 ZINC000328989659 568971658 /nfs/dbraw/zinc/97/16/58/568971658.db2.gz ILCQDHBGTOZIIK-UHFFFAOYSA-N 0 3 422.489 1.895 40 0 HDABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(F)cc2)cc1 ZINC000010111623 569342856 /nfs/dbraw/zinc/34/28/56/569342856.db2.gz JWNXWYBUQLLGLB-UHFFFAOYSA-N 0 3 409.483 1.707 40 0 HDABHN COCC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699449 569346983 /nfs/dbraw/zinc/34/69/83/569346983.db2.gz PYHFUNJGXPTYQU-UHFFFAOYSA-N 0 3 414.506 1.210 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O ZINC000019699816 569347030 /nfs/dbraw/zinc/34/70/30/569347030.db2.gz ANVDQYKRQGIEOB-LJQANCHMSA-N 0 3 412.534 1.935 40 0 HDABHN COCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699867 569347113 /nfs/dbraw/zinc/34/71/13/569347113.db2.gz NONHTSZRHPCCEC-SFHVURJKSA-N 0 3 414.506 1.210 40 0 HDABHN COCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298853 291195833 /nfs/dbraw/zinc/19/58/33/291195833.db2.gz POHJWGNNAOXJQO-NXHRZFHOSA-N 0 3 413.478 1.180 40 0 biogenic,in-vitro HDABHN O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020503803 291201816 /nfs/dbraw/zinc/20/18/16/291201816.db2.gz COKZCMQHGXFWME-XYJFISCASA-N 0 3 413.971 1.661 40 0 biogenic,in-vitro HDABHN COc1cc(NC(=O)CNC(=O)CNC(=O)[C@H](N)CC(C)C)cc2ccccc21 ZINC000001579629 557273723 /nfs/dbraw/zinc/27/37/23/557273723.db2.gz UWBLVTOZNPEUFV-QGZVFWFLSA-N 0 3 400.479 1.393 40 0 HDABHN Cc1cc(NC(=O)Cn2cccc(C(=O)N3CCN(C4CCCC4)CC3)c2=O)no1 ZINC000019750091 558270276 /nfs/dbraw/zinc/27/02/76/558270276.db2.gz RWXBAZSSXYVJQP-UHFFFAOYSA-N 0 3 413.478 1.484 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801582 558415293 /nfs/dbraw/zinc/41/52/93/558415293.db2.gz SEKAKXHMSUWHSZ-WOJBJXKFSA-N 0 3 421.501 1.918 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801546 558415316 /nfs/dbraw/zinc/41/53/16/558415316.db2.gz UOSNBKZABWIFGT-IRXDYDNUSA-N 0 3 416.478 1.475 40 0 HDABHN COc1ccc(CN2C[C@@H](C(=O)N(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)cc1OC ZINC000072334453 558935656 /nfs/dbraw/zinc/93/56/56/558935656.db2.gz WWYBLGQHJZTKNM-YADARESESA-N 0 3 423.513 1.949 40 0 HDABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)[n-]c(=O)c2C1 ZINC000019590269 558940928 /nfs/dbraw/zinc/94/09/28/558940928.db2.gz HUPLNJSCWWRAJN-HNNXBMFYSA-N 0 3 410.474 1.961 40 0 HDABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)[n-]c(=O)c2C1 ZINC000019590269 558940929 /nfs/dbraw/zinc/94/09/29/558940929.db2.gz HUPLNJSCWWRAJN-HNNXBMFYSA-N 0 3 410.474 1.961 40 0 HDABHN Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)CN1CCCCCC1)C2 ZINC000019696106 558964270 /nfs/dbraw/zinc/96/42/70/558964270.db2.gz AAEMRTHPMAIKPD-LJQANCHMSA-N 0 3 410.522 1.433 40 0 HDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103067 559026409 /nfs/dbraw/zinc/02/64/09/559026409.db2.gz BXASDCIKAJLHPE-FQEVSTJZSA-N 0 3 408.564 1.844 40 0 HDABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)C1CC(O)C1)CCC2 ZINC000585108088 559029893 /nfs/dbraw/zinc/02/98/93/559029893.db2.gz VPLVANUUVLVRRK-DTFVCFORSA-N 0 3 415.534 1.765 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CCC[C@@H]3[C@H]2CCCCN3S(C)(=O)=O)CC1 ZINC000585284516 559121106 /nfs/dbraw/zinc/12/11/06/559121106.db2.gz SUIVJJIAXJLCJK-IAGOWNOFSA-N 0 3 417.572 1.248 40 0 HDABHN Cc1cc(C)n(CCOc2ccc(CN3CC[C@@](O)(CN4CCOCC4)C3)cc2)n1 ZINC000257218954 559282257 /nfs/dbraw/zinc/28/22/57/559282257.db2.gz DEZOLSCDCBZZKL-HSZRJFAPSA-N 0 3 414.550 1.848 40 0 HDABHN CC(=O)N1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000257262320 559284816 /nfs/dbraw/zinc/28/48/16/559284816.db2.gz LKXRCBWDGOZXBH-XMMPIXPASA-N 0 3 424.545 1.762 40 0 HDABHN COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(CN(CC(C)(C)C)C3)C2)c1 ZINC000514289906 560031414 /nfs/dbraw/zinc/03/14/14/560031414.db2.gz PXBXDNZYJXYDAH-VQTJNVASSA-N 0 3 401.551 1.825 40 0 biogenic,in-vitro HDABHN COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(C2CCCC2)CC1 ZINC000019594114 560875309 /nfs/dbraw/zinc/87/53/09/560875309.db2.gz IMUOBQXCIZXKTH-HXUWFJFHSA-N 0 3 400.527 1.978 40 0 HDABHN CN1CCN(c2ncc3c(n2)[C@]2(CCN(Cc4ccc(O)c(F)c4)C2)COC3)CC1 ZINC000248158936 568747854 /nfs/dbraw/zinc/74/78/54/568747854.db2.gz WPMXHHFZCAZWQY-QFIPXVFZSA-N 0 3 413.497 1.747 40 0 HDABHN Cc1nc(C)c(CC(=O)N2CCC[C@](O)(C[NH+]3CCC(F)(F)CC3)CC2)c(=O)[n-]1 ZINC000257215258 568780647 /nfs/dbraw/zinc/78/06/47/568780647.db2.gz CPJPPGSYSQABQJ-LJQANCHMSA-N 0 3 412.481 1.816 40 0 HDABHN Cn1ccc(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](Cc3cnccn3)C2)n1 ZINC000257279086 568798236 /nfs/dbraw/zinc/79/82/36/568798236.db2.gz OEZGDRVDDWPHES-FQEVSTJZSA-N 0 3 419.533 1.825 40 0 HDABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000257313011 568808129 /nfs/dbraw/zinc/80/81/29/568808129.db2.gz UQPPCIMOJROELV-OAQYLSRUSA-N 0 3 400.479 1.268 40 0 HDABHN CN(C)CCOc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)c1 ZINC000257324473 568811524 /nfs/dbraw/zinc/81/15/24/568811524.db2.gz WOUQOUXMNFMOGC-QFIPXVFZSA-N 0 3 413.522 1.521 40 0 HDABHN O=C(c1cn2c(nc1=O)CC1(C2)CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000306137889 568899894 /nfs/dbraw/zinc/89/98/94/568899894.db2.gz RJDWXYONNBFUSJ-UHFFFAOYSA-N 0 3 408.502 1.554 40 0 HDABHN COc1ccc(CN2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)cc1 ZINC000306139968 568901836 /nfs/dbraw/zinc/90/18/36/568901836.db2.gz UFNYHSJPKOBJNO-TZIWHRDSSA-N 0 3 418.497 2.000 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccsc3)C2)cs1 ZINC000306143269 568904895 /nfs/dbraw/zinc/90/48/95/568904895.db2.gz XXMGHGWNKNKZKA-LJQANCHMSA-N 0 3 415.544 1.827 40 0 HDABHN O=S1(=O)C[C@@H](O)[C@H](N(CCNCc2cccc(F)c2)Cc2ccccc2F)C1 ZINC000575420872 569025764 /nfs/dbraw/zinc/02/57/64/569025764.db2.gz KQIFXRRTZIGHDX-WOJBJXKFSA-N 0 3 410.486 1.715 40 0 HDABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)cc2)cc1OC ZINC000010111630 569342860 /nfs/dbraw/zinc/34/28/60/569342860.db2.gz OBRFVWGHYFHMFM-UHFFFAOYSA-N 0 3 421.519 1.820 40 0 HDABHN CCNC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCCN3CCCC3)cc2)C1 ZINC000015672130 291192531 /nfs/dbraw/zinc/19/25/31/291192531.db2.gz FBVQVQJJYQYXJC-WOJBJXKFSA-N 0 3 418.538 1.446 40 0 biogenic,in-vitro HDABHN COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)N3CCN(C)CC3)CC(=O)N(C)C2)cc1 ZINC000096113398 291196778 /nfs/dbraw/zinc/19/67/78/291196778.db2.gz FDZGRBPUJDJGMU-WOJBJXKFSA-N 0 3 416.566 1.576 40 0 biogenic,in-vitro HDABHN CN(C)C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccc1 ZINC000019750946 558270971 /nfs/dbraw/zinc/27/09/71/558270971.db2.gz ICBWGRKAYOSJNM-HXUWFJFHSA-N 0 3 410.518 1.894 40 0 HDABHN CN(C)Cc1ccccc1CNC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 ZINC000019751278 558271224 /nfs/dbraw/zinc/27/12/24/558271224.db2.gz ILGFZEBQWHAFGH-UHFFFAOYSA-N 0 3 410.518 1.852 40 0 HDABHN COc1ccc2c(c1)c(CN1CCCC[C@H]1CN1CCOCC1)cn2CC(N)=O ZINC000022863397 558517821 /nfs/dbraw/zinc/51/78/21/558517821.db2.gz MESHKEGKWYDJGY-SFHVURJKSA-N 0 3 400.523 1.822 40 0 HDABHN Cc1ccc(C)c(N(CCCC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022933880 558525413 /nfs/dbraw/zinc/52/54/13/558525413.db2.gz DPMMQIXROQTAEO-UHFFFAOYSA-N 0 3 424.611 1.603 40 0 HDABHN Cc1ccc(N([C@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1C ZINC000022934983 558526083 /nfs/dbraw/zinc/52/60/83/558526083.db2.gz RWJKYKQZKUCHGH-GOSISDBHSA-N 0 3 410.584 1.212 40 0 HDABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2)cc1OC ZINC000013668835 558560780 /nfs/dbraw/zinc/56/07/80/558560780.db2.gz KZRIKEQSLITTIZ-UHFFFAOYSA-N 0 3 421.519 1.577 40 0 HDABHN Cc1nccn1CC1(O)CCN(Cc2ccccc2OCCN2CCOCC2)CC1 ZINC000019288007 558861264 /nfs/dbraw/zinc/86/12/64/558861264.db2.gz FVNMEQMCSMDWKG-UHFFFAOYSA-N 0 3 414.550 1.930 40 0 HDABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(NCCCN3CCOCC3)n2)c1 ZINC000019566199 558925977 /nfs/dbraw/zinc/92/59/77/558925977.db2.gz UNSSYGVNVWMMBV-RBUKOAKNSA-N 0 3 413.522 1.796 40 0 HDABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ncccn4)CC3)ccc21 ZINC000019572511 558930679 /nfs/dbraw/zinc/93/06/79/558930679.db2.gz UXEBXWOCOCMBOQ-LJQANCHMSA-N 0 3 417.535 1.044 40 0 HDABHN O=C(C1CCOCC1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036354 559090043 /nfs/dbraw/zinc/09/00/43/559090043.db2.gz HQALIXXUTLQAOO-HSZRJFAPSA-N 0 3 412.534 1.439 40 0 HDABHN CC(C)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 ZINC000096145843 559097552 /nfs/dbraw/zinc/09/75/52/559097552.db2.gz DAQWHENMHWUAFA-IRXDYDNUSA-N 0 3 409.552 1.647 40 0 HDABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585282504 559120069 /nfs/dbraw/zinc/12/00/69/559120069.db2.gz LSFRCYSWANAFLD-FPOVZHCZSA-N 0 3 410.486 1.932 40 0 HDABHN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)CC1 ZINC000585283653 559120842 /nfs/dbraw/zinc/12/08/42/559120842.db2.gz SVRMRCJUOVOWPC-HSZRJFAPSA-N 0 3 417.550 1.588 40 0 HDABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCCc2ccccn2)[C@@H](O)C1 ZINC000585285679 559121681 /nfs/dbraw/zinc/12/16/81/559121681.db2.gz RVMFOPBUXPKXQO-FPOVZHCZSA-N 0 3 403.910 1.434 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585285965 559121741 /nfs/dbraw/zinc/12/17/41/559121741.db2.gz FZLGGLQTZXLQJJ-QFIPXVFZSA-N 0 3 422.522 1.421 40 0 HDABHN CN(CCc1ccccn1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585286088 559121884 /nfs/dbraw/zinc/12/18/84/559121884.db2.gz VJLDXBFFPOAJCP-FPOVZHCZSA-N 0 3 403.910 1.847 40 0 HDABHN OCCOc1ccc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218816 559282869 /nfs/dbraw/zinc/28/28/69/559282869.db2.gz DEMZPXAGKFQLHD-XMMPIXPASA-N 0 3 411.546 1.817 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ncccn3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257268715 559285033 /nfs/dbraw/zinc/28/50/33/559285033.db2.gz MMWITEMUNYCHST-HFMPRLQTSA-N 0 3 423.561 1.695 40 0 HDABHN C[NH+]1CCC(N2CCC[C@H]2c2nc(-c3ccnc([N-]S(C)(=O)=O)c3)no2)CC1 ZINC000035425573 560080731 /nfs/dbraw/zinc/08/07/31/560080731.db2.gz BRIZWOUGWLQZHJ-HNNXBMFYSA-N 0 3 406.512 1.734 40 0 biogenic,in-vitro HDABHN COc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)NC3CC3)O2)CC1 ZINC000030878692 560090076 /nfs/dbraw/zinc/09/00/76/560090076.db2.gz GSDJRUYHERYWRD-CUWPLCDZSA-N 0 3 403.523 1.394 40 0 biogenic,in-vitro HDABHN COCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160524 560601457 /nfs/dbraw/zinc/60/14/57/560601457.db2.gz RBGFGIBHLLCYMS-UHFFFAOYSA-N 0 3 420.535 1.184 40 0 HDABHN CN1CCC(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000222751714 568525574 /nfs/dbraw/zinc/52/55/74/568525574.db2.gz JNMHMXWDUPHUIO-MRXNPFEDSA-N 0 3 401.916 1.468 40 0 HDABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-n1cnnc1 ZINC000223258579 568542943 /nfs/dbraw/zinc/54/29/43/568542943.db2.gz YMGXBTUOSFXBAP-OALUTQOASA-N 0 3 410.551 1.937 40 0 HDABHN Cn1ccnc1-c1cnc(C[C@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000257212306 568779722 /nfs/dbraw/zinc/77/97/22/568779722.db2.gz CCTKQJBCRJGGFQ-OAHLLOKOSA-N 0 3 404.540 1.166 40 0 HDABHN CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H](NCc2ccccc2F)[C@@H](O)[C@@H]1O ZINC000257233688 568785818 /nfs/dbraw/zinc/78/58/18/568785818.db2.gz GQFRIUQRRCLWFH-JOCBIADPSA-N 0 3 400.458 1.247 40 0 HDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccnn3C)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257241157 568787920 /nfs/dbraw/zinc/78/79/20/568787920.db2.gz HWVADPPKKMCLLY-LMCOJAPRSA-N 0 3 400.479 1.204 40 0 HDABHN Cc1cn([C@H]2CN(C(=O)c3ccc(CN4CCCCC4)cc3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000257245222 568788938 /nfs/dbraw/zinc/78/89/38/568788938.db2.gz IOOHRWQFQCSBAK-OALUTQOASA-N 0 3 412.490 1.301 40 0 HDABHN CN1CCN(C[C@@]2(O)CCCN(C(=O)c3c(=O)[nH]cc4c3CCCC4)CC2)CC1 ZINC000257317422 568809581 /nfs/dbraw/zinc/80/95/81/568809581.db2.gz VJROZGMHAHRBJD-JOCHJYFZSA-N 0 3 402.539 1.271 40 0 HDABHN Cn1cc(CN2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cn1 ZINC000306125624 568888437 /nfs/dbraw/zinc/88/84/37/568888437.db2.gz CWDOJGQRPVHSNI-SIKLNZKXSA-N 0 3 409.538 1.455 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3cccnc3)C2)cs1 ZINC000306125970 568888638 /nfs/dbraw/zinc/88/86/38/568888638.db2.gz DHTBHYCCHHGEFC-FQEVSTJZSA-N 0 3 410.503 1.161 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4cccnc4)C2)C3)cc1 ZINC000306134413 568896315 /nfs/dbraw/zinc/89/63/15/568896315.db2.gz NMSDVOJXSRGKQS-HSZRJFAPSA-N 0 3 419.485 1.305 40 0 HDABHN CN(C)[C@@H]1CCN(C(=O)c2nc([C@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)C1 ZINC000306139687 568901666 /nfs/dbraw/zinc/90/16/66/568901666.db2.gz TXPOGHKFCDZZII-JKSUJKDBSA-N 0 3 419.551 1.249 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccoc4)C2)C3)cc1 ZINC000306142301 568903960 /nfs/dbraw/zinc/90/39/60/568903960.db2.gz WVQPHKQFDMERMA-JOCHJYFZSA-N 0 3 408.458 1.503 40 0 HDABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000575420638 569025993 /nfs/dbraw/zinc/02/59/93/569025993.db2.gz DCJARIRQGYJTBX-INIZCTEOSA-N 0 3 406.545 1.735 40 0 HDABHN CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCCN2)n1 ZINC000019760000 569348840 /nfs/dbraw/zinc/34/88/40/569348840.db2.gz SAWZVWOXSBNENL-HNNXBMFYSA-N 0 3 419.507 1.535 40 0 HDABHN CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NCCN(C)C)n1 ZINC000329006792 571306456 /nfs/dbraw/zinc/30/64/56/571306456.db2.gz LFFKHTOYQVDUCA-UHFFFAOYSA-N 0 3 418.567 1.784 40 0 HDABHN COCCNC(=O)[C@@H]1CCC[C@@H](NCc2cccc3c2OCO3)CN(C)C(=O)C1 ZINC000096113440 291195360 /nfs/dbraw/zinc/19/53/60/291195360.db2.gz PMFXTGNAWSYLMA-NVXWUHKLSA-N 0 3 405.495 1.285 40 0 biogenic,in-vitro HDABHN COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C(C)C)N2C)cc1 ZINC000035442418 291196512 /nfs/dbraw/zinc/19/65/12/291196512.db2.gz QBTJUOYHJSLNLF-DSKINZAPSA-N 0 3 402.539 1.373 40 0 biogenic,in-vitro HDABHN Cn1cc(CN[C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)c2ccccc21 ZINC000077262009 291199125 /nfs/dbraw/zinc/19/91/25/291199125.db2.gz OMSUNITZURSJMF-WDWDUUAGSA-N 0 3 422.529 1.777 40 0 biogenic,in-vitro HDABHN CCn1c2ccc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)cc2n(CC)c1=O ZINC000019719647 558258151 /nfs/dbraw/zinc/25/81/51/558258151.db2.gz BZKUFQLZNRVMDQ-MRXNPFEDSA-N 0 3 417.535 1.483 40 0 HDABHN Cc1cc(NC(=O)Cn2cccc(C(=O)NC[C@H](C)N3CCCCC3)c2=O)no1 ZINC000019750136 558270309 /nfs/dbraw/zinc/27/03/09/558270309.db2.gz AWXZTGHQQOAMIN-AWEZNQCLSA-N 0 3 401.467 1.388 40 0 HDABHN Cc1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1Cl ZINC000022933870 558525491 /nfs/dbraw/zinc/52/54/91/558525491.db2.gz XNYACJVJVUTPAQ-UHFFFAOYSA-N 0 3 416.975 1.168 40 0 HDABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013632774 558552724 /nfs/dbraw/zinc/55/27/24/558552724.db2.gz CGJDAXCXJYGDES-UHFFFAOYSA-N 0 3 405.520 1.877 40 0 HDABHN CCN1CCN(C2CCN(C(=O)Cc3c(C)c4c(C)[nH]nc4oc3=O)CC2)CC1 ZINC000019528130 558909129 /nfs/dbraw/zinc/90/91/29/558909129.db2.gz ZMKZFEACDVNEMV-UHFFFAOYSA-N 0 3 401.511 1.304 40 0 HDABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cnccn4)CC3)ccc21 ZINC000019572503 558930604 /nfs/dbraw/zinc/93/06/04/558930604.db2.gz XJTZHQYHVQYXOT-IBGZPJMESA-N 0 3 417.535 1.044 40 0 HDABHN CN1CCC(N(CCN2CCOCC2)C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000019588125 558940125 /nfs/dbraw/zinc/94/01/25/558940125.db2.gz JACZUENAPRWDAW-UHFFFAOYSA-N 0 3 412.538 1.195 40 0 HDABHN COc1cc(OC)c(OC)cc1CN1CCc2nc(N3CCCC3)[nH]c(=O)c2CC1 ZINC000019595006 558945913 /nfs/dbraw/zinc/94/59/13/558945913.db2.gz LLVGEIPTOCYCDN-UHFFFAOYSA-N 0 3 414.506 1.997 40 0 HDABHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662636 558953605 /nfs/dbraw/zinc/95/36/05/558953605.db2.gz UJTUWHCTKMTZKI-SFHVURJKSA-N 0 3 421.501 1.887 40 0 HDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585103777 559025767 /nfs/dbraw/zinc/02/57/67/559025767.db2.gz JOCFOMNJFNQLIN-PMACEKPBSA-N 0 3 408.564 1.844 40 0 HDABHN CN(Cc1cccnc1)C[C@@H]1Cn2ccnc2CN(C(=O)CCc2cncnc2)C1 ZINC000585110693 559031471 /nfs/dbraw/zinc/03/14/71/559031471.db2.gz SGWHDSLJVSGARG-HXUWFJFHSA-N 0 3 405.506 1.791 40 0 HDABHN CN(C)CCNC(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 ZINC000096266202 559107608 /nfs/dbraw/zinc/10/76/08/559107608.db2.gz YZDKZWTWJNRDBT-UHFFFAOYSA-N 0 3 403.508 1.078 40 0 HDABHN O=C(c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1)N1CCOCC1 ZINC000096267224 559108080 /nfs/dbraw/zinc/10/80/80/559108080.db2.gz DRDGOPUMEWWHOQ-UHFFFAOYSA-N 0 3 406.490 1.976 40 0 HDABHN O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(C(F)(F)F)CC2)C1 ZINC000585284389 559121113 /nfs/dbraw/zinc/12/11/13/559121113.db2.gz KQDFTTLSOCOJTO-PKOBYXMFSA-N 0 3 400.441 1.828 40 0 HDABHN COCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160479 560601358 /nfs/dbraw/zinc/60/13/58/560601358.db2.gz QWSTVKALKMNWLC-UHFFFAOYSA-N 0 3 406.508 1.141 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1ccccc1 ZINC000017093881 560868515 /nfs/dbraw/zinc/86/85/15/560868515.db2.gz ABNZOLDVCBCWOB-ROUUACIJSA-N 0 3 424.457 1.444 40 0 HDABHN COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(C2CCCC2)CC1 ZINC000019594112 560875377 /nfs/dbraw/zinc/87/53/77/560875377.db2.gz IMUOBQXCIZXKTH-FQEVSTJZSA-N 0 3 400.527 1.978 40 0 HDABHN CN1CCC(N2CC3(C2)CN(C(=O)c2ccccc2F)C[C@@H]2COCCN23)CC1 ZINC000604381043 568489142 /nfs/dbraw/zinc/48/91/42/568489142.db2.gz CPHCRRMMBQMAAE-GOSISDBHSA-N 0 3 402.514 1.131 40 0 biogenic,in-vitro HDABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccc4c(c3)OCO4)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382678 568489545 /nfs/dbraw/zinc/48/95/45/568489545.db2.gz YTXKAZDFYKHRPT-NCXUSEDFSA-N 0 3 415.490 1.084 40 0 biogenic,in-vitro HDABHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1N1C(=O)CCC1=O ZINC000224475607 568582175 /nfs/dbraw/zinc/58/21/75/568582175.db2.gz LFLXFWVZJZTULM-UHFFFAOYSA-N 0 3 423.535 1.749 40 0 HDABHN COC(=O)C1=C(CNCCN2CCOCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020518264 568625814 /nfs/dbraw/zinc/62/58/14/568625814.db2.gz RWYNAKYGBYMEGR-LJQANCHMSA-N 0 3 402.495 1.006 40 0 HDABHN Cc1nc(C)c(CC(=O)N2CCC[C@@](O)(C[NH+]3CCC(F)(F)CC3)CC2)c(=O)[n-]1 ZINC000257215257 568780642 /nfs/dbraw/zinc/78/06/42/568780642.db2.gz CPJPPGSYSQABQJ-IBGZPJMESA-N 0 3 412.481 1.816 40 0 HDABHN COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)C2CCOCC2)CC1 ZINC000257326990 568812384 /nfs/dbraw/zinc/81/23/84/568812384.db2.gz WZKCSUYPYSEBOQ-CZYKHXBRSA-N 0 3 418.534 1.589 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccsc4)C2)C3)cs1 ZINC000306130383 568892652 /nfs/dbraw/zinc/89/26/52/568892652.db2.gz JEOJRSYOIBADAE-IBGZPJMESA-N 0 3 415.544 1.728 40 0 HDABHN COCCN1CCO[C@@]2(CN(Cc3sccc3C)C[C@@H]2c2ccnn2C)C1=O ZINC000306134424 568896218 /nfs/dbraw/zinc/89/62/18/568896218.db2.gz NMVGAWQSQUNGIY-OXQOHEQNSA-N 0 3 404.536 1.633 40 0 HDABHN COCCN1CCO[C@@]2(CN(Cc3sccc3C)C[C@H]2c2ccnn2C)C1=O ZINC000306134423 568896254 /nfs/dbraw/zinc/89/62/54/568896254.db2.gz NMVGAWQSQUNGIY-OXJNMPFZSA-N 0 3 404.536 1.633 40 0 HDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CCN(Cc3ccncc3)C1)C2 ZINC000306140961 568902880 /nfs/dbraw/zinc/90/28/80/568902880.db2.gz VHSBKBNPLJEITN-JOCHJYFZSA-N 0 3 407.449 1.436 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccccn3)C2)cs1 ZINC000306142140 568903705 /nfs/dbraw/zinc/90/37/05/568903705.db2.gz WQXQNYHHOGPSNE-FQEVSTJZSA-N 0 3 410.503 1.161 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccccn3)C2)cs1 ZINC000306142141 568903770 /nfs/dbraw/zinc/90/37/70/568903770.db2.gz WQXQNYHHOGPSNE-HXUWFJFHSA-N 0 3 410.503 1.161 40 0 HDABHN C[C@]1(N(CCN)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000575423433 569026431 /nfs/dbraw/zinc/02/64/31/569026431.db2.gz FENXWDHVFGYATM-ZDUSSCGKSA-N 0 3 401.337 1.520 40 0 HDABHN C[C@@]1(N(CCN)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1 ZINC000575423429 569026446 /nfs/dbraw/zinc/02/64/46/569026446.db2.gz FENXWDHVFGYATM-CYBMUJFWSA-N 0 3 401.337 1.520 40 0 HDABHN NCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000575425290 569026674 /nfs/dbraw/zinc/02/66/74/569026674.db2.gz XTXATBPYINZJOA-KRWDZBQOSA-N 0 3 400.566 1.871 40 0 HDABHN Cc1ccc(S(=O)(=O)N2CCC(N3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cc1 ZINC000019699488 569346979 /nfs/dbraw/zinc/34/69/79/569346979.db2.gz VGXSCBYYPQIHEG-UHFFFAOYSA-N 0 3 420.535 1.164 40 0 HDABHN CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008298733 291191697 /nfs/dbraw/zinc/19/16/97/291191697.db2.gz MXOMAJDLHYNSIJ-JQHSSLGASA-N 0 3 401.486 1.671 40 0 biogenic,in-vitro HDABHN CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(OC)cc3)CN21 ZINC000022936972 291192523 /nfs/dbraw/zinc/19/25/23/291192523.db2.gz BZZCEUHIEGTFOO-NSHGMRRFSA-N 0 3 402.539 1.375 40 0 biogenic,in-vitro HDABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254220 291200238 /nfs/dbraw/zinc/20/02/38/291200238.db2.gz QPMAXURLHQNUSJ-QRVBRYPASA-N 0 3 403.490 1.762 40 0 biogenic,in-vitro HDABHN CN1CCCC[C@@H]1CNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750724 558270775 /nfs/dbraw/zinc/27/07/75/558270775.db2.gz CYCDHVOFQTZBDB-QGZVFWFLSA-N 0 3 400.454 1.840 40 0 HDABHN CN1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000020481738 558375287 /nfs/dbraw/zinc/37/52/87/558375287.db2.gz HZZLOFBZIIQVSM-UHFFFAOYSA-N 0 3 422.595 1.370 40 0 HDABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000013671180 558562321 /nfs/dbraw/zinc/56/23/21/558562321.db2.gz NLNLJCPXTGMLBZ-UHFFFAOYSA-N 0 3 421.519 1.577 40 0 HDABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCSCC1)CC1(CCN(C)CC1)O2 ZINC000019218541 558851196 /nfs/dbraw/zinc/85/11/96/558851196.db2.gz ZHOZNLXETKJGCN-UHFFFAOYSA-N 0 3 403.548 1.869 40 0 HDABHN CCN1CCN(C2CCN(C(=O)c3nnn(-c4ccc(F)cc4)c3C)CC2)CC1 ZINC000019528134 558909255 /nfs/dbraw/zinc/90/92/55/558909255.db2.gz FTWGOVFDCAOHBY-UHFFFAOYSA-N 0 3 400.502 1.957 40 0 HDABHN COc1ccccc1CN(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CCN(C)CC1 ZINC000019662769 558953872 /nfs/dbraw/zinc/95/38/72/558953872.db2.gz SGILOEYOUPMOFA-UHFFFAOYSA-N 0 3 424.505 1.262 40 0 HDABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)CN(C)Cc1ccc(OC)cc1)CC2 ZINC000072372382 558959754 /nfs/dbraw/zinc/95/97/54/558959754.db2.gz GYMGLOYKWDNJMU-FQEVSTJZSA-N 0 3 424.549 1.968 40 0 HDABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@@H](C)N1CCCC1=O)C2 ZINC000019710928 558973216 /nfs/dbraw/zinc/97/32/16/558973216.db2.gz AVCVCAUTBGTZSN-CQSZACIVSA-N 0 3 400.527 1.223 40 0 HDABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](O)C4)C3)CC2)c1 ZINC000585104854 559027301 /nfs/dbraw/zinc/02/73/01/559027301.db2.gz UKQXIUUAODMHPB-XLIONFOSSA-N 0 3 404.507 1.782 40 0 HDABHN O=C(C1CCOCC1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036355 559089985 /nfs/dbraw/zinc/08/99/85/559089985.db2.gz HQALIXXUTLQAOO-QHCPKHFHSA-N 0 3 412.534 1.439 40 0 HDABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096062610 559094237 /nfs/dbraw/zinc/09/42/37/559094237.db2.gz RJWZCSZFRPXKJN-HXUWFJFHSA-N 0 3 406.552 1.178 40 0 HDABHN Cn1nc(C(=O)N2CCC[C@@]3(C[C@H](CN4CCN(C)CC4)CO3)C2)c2ccccc21 ZINC000096228445 559102679 /nfs/dbraw/zinc/10/26/79/559102679.db2.gz XSCZASACPLYYQI-WZONZLPQSA-N 0 3 411.550 1.832 40 0 HDABHN O=C(NC[C@H]1CCCO1)[C@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096243771 559104907 /nfs/dbraw/zinc/10/49/07/559104907.db2.gz UVNKJWBQPHCJQC-RTBURBONSA-N 0 3 411.506 1.463 40 0 HDABHN O=C(NCCN1CCCC1)c1nc(-c2cn(-c3ncccn3)cn2)n2ccccc12 ZINC000096266891 559107893 /nfs/dbraw/zinc/10/78/93/559107893.db2.gz BCIXXLJDTVSZJG-UHFFFAOYSA-N 0 3 402.462 1.803 40 0 HDABHN OCCOCCOc1ccc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585271521 559115825 /nfs/dbraw/zinc/11/58/25/559115825.db2.gz ZNUUPXZFIHSIDQ-OAQYLSRUSA-N 0 3 405.470 1.339 40 0 HDABHN COCC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585283194 559120550 /nfs/dbraw/zinc/12/05/50/559120550.db2.gz QXLBGGMNSRNYIM-FQEVSTJZSA-N 0 3 414.449 1.044 40 0 HDABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN(CCO)Cc2ccccc2)C1 ZINC000585286089 559121823 /nfs/dbraw/zinc/12/18/23/559121823.db2.gz VJTPYIMUIZQWMA-RBBKRZOGSA-N 0 3 418.921 1.772 40 0 HDABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2cc(F)cc(F)c2)C1 ZINC000585291049 559123579 /nfs/dbraw/zinc/12/35/79/559123579.db2.gz IPYBKBDXKUCBDR-QUCCMNQESA-N 0 3 410.848 1.885 40 0 HDABHN Cn1cccc1C(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952843 559124951 /nfs/dbraw/zinc/12/49/51/559124951.db2.gz DPDQTEPVFQJAIT-HSZRJFAPSA-N 0 3 407.518 1.665 40 0 HDABHN CCOCCOc1ccc(CN2CC[C@](O)(CN3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253445 559284509 /nfs/dbraw/zinc/28/45/09/559284509.db2.gz JYYKFJQIMRTWGO-QHCPKHFHSA-N 0 3 419.566 1.639 40 0 HDABHN COCCOc1cc(CNC[C@]2(O)CCCN(c3cnccn3)C2)ccc1OC ZINC000257269892 559285047 /nfs/dbraw/zinc/28/50/47/559285047.db2.gz MRVOYFYQGAUICN-OAQYLSRUSA-N 0 3 402.495 1.632 40 0 HDABHN COc1cc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OCCN(C)C ZINC000257295831 559285784 /nfs/dbraw/zinc/28/57/84/559285784.db2.gz RABXNGXFYJMFKK-ROUUACIJSA-N 0 3 413.509 1.912 40 0 HDABHN Cn1cccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O ZINC000020463766 560092915 /nfs/dbraw/zinc/09/29/15/560092915.db2.gz QDESAUAZZXCIDQ-ZSXJVMONSA-N 0 3 411.546 1.923 40 0 biogenic,in-vitro HDABHN CCOc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCC(N)=O ZINC000008253767 560753404 /nfs/dbraw/zinc/75/34/04/560753404.db2.gz MGJDGDBOODULDH-UHFFFAOYSA-N 0 3 400.892 1.008 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1Cl ZINC000224316145 568577760 /nfs/dbraw/zinc/57/77/60/568577760.db2.gz MKNQLWLPGWCWJP-UHFFFAOYSA-N 0 3 411.915 1.716 40 0 HDABHN CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257290511 568801631 /nfs/dbraw/zinc/80/16/31/568801631.db2.gz QDGAOWXHHZXOLV-VAMGGRTRSA-N 0 3 402.470 1.902 40 0 HDABHN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@](O)(CN2CCOCC2)CC1 ZINC000257334660 568814489 /nfs/dbraw/zinc/81/44/89/568814489.db2.gz YGWKXGXYYVJHOS-OAQYLSRUSA-N 0 3 402.470 1.905 40 0 HDABHN CN(C)C(=O)CN[C@H]1CCCC[C@]12CN(Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139049 568900943 /nfs/dbraw/zinc/90/09/43/568900943.db2.gz SNZFVBVUHFXVKD-UNMCSNQZSA-N 0 3 412.538 1.459 40 0 HDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2scnc2C)CC1 ZINC000306140113 568901769 /nfs/dbraw/zinc/90/17/69/568901769.db2.gz UKGHIBRJOBVTRX-UHFFFAOYSA-N 0 3 404.540 1.648 40 0 HDABHN COc1ccc(CN2C[C@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)cc1 ZINC000306139967 568901782 /nfs/dbraw/zinc/90/17/82/568901782.db2.gz UFNYHSJPKOBJNO-PZJWPPBQSA-N 0 3 418.497 2.000 40 0 HDABHN COc1cc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc(OC)c1OC ZINC000224307796 569057035 /nfs/dbraw/zinc/05/70/35/569057035.db2.gz AAKGDXITCZXNOV-UHFFFAOYSA-N 0 3 401.467 1.531 40 0 HDABHN Cc1ccccc1CNC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O ZINC000225518143 291198909 /nfs/dbraw/zinc/19/89/09/291198909.db2.gz MNEOZFNABSDNEK-PNDFQMOFSA-N 0 3 410.461 1.628 40 0 biogenic,in-vitro HDABHN CC1CCN(c2ncc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000019719994 558258643 /nfs/dbraw/zinc/25/86/43/558258643.db2.gz LMDLYEBGQIEJID-QGZVFWFLSA-N 0 3 404.540 1.353 40 0 HDABHN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000019346125 558873404 /nfs/dbraw/zinc/87/34/04/558873404.db2.gz GWPQJVRPMOODOZ-GOSISDBHSA-N 0 3 401.486 1.884 40 0 HDABHN CCOC(=O)Cn1c(=O)sc(CN2C[C@@H]3CCCN3C[C@@H]2CCO)c1Cl ZINC000019530556 558911502 /nfs/dbraw/zinc/91/15/02/558911502.db2.gz JNGRLICJVQRHND-STQMWFEESA-N 0 3 403.932 1.157 40 0 HDABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019561171 558921946 /nfs/dbraw/zinc/92/19/46/558921946.db2.gz KYDDOSGVYLWJRG-UHFFFAOYSA-N 0 3 400.479 1.637 40 0 HDABHN COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1OC ZINC000019561171 558921949 /nfs/dbraw/zinc/92/19/49/558921949.db2.gz KYDDOSGVYLWJRG-UHFFFAOYSA-N 0 3 400.479 1.637 40 0 HDABHN C[C@H]1CN(c2nccc([C@@H]3CN(Cc4ccco4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000072330537 558934737 /nfs/dbraw/zinc/93/47/37/558934737.db2.gz YQCSGSRTUREASW-RNIPGJKVSA-N 0 3 413.522 1.987 40 0 HDABHN Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000072352148 558948277 /nfs/dbraw/zinc/94/82/77/558948277.db2.gz MBTDGIPHEDKSLR-UHFFFAOYSA-N 0 3 424.549 1.622 40 0 HDABHN Cc1cc(C(=O)N2CCC3(CC2)[C@@H]2CN(Cc4cccnc4)C[C@@H]2C(=O)N3C)no1 ZINC000096143582 559096036 /nfs/dbraw/zinc/09/60/36/559096036.db2.gz SQQNFNUEKXQIJC-ZWKOTPCHSA-N 0 3 409.490 1.573 40 0 HDABHN Cn1cc(CN2CCC3(CC2)O[C@H](C(=O)Nc2cccnc2)Cn2ccnc23)cn1 ZINC000096144686 559096848 /nfs/dbraw/zinc/09/68/48/559096848.db2.gz GFZBOAPCXXDFDT-SFHVURJKSA-N 0 3 407.478 1.540 40 0 HDABHN Cn1nc(C(=O)N2CCC[C@]3(C[C@H](CN4CCN(C)CC4)CO3)C2)c2ccccc21 ZINC000096228444 559102761 /nfs/dbraw/zinc/10/27/61/559102761.db2.gz XSCZASACPLYYQI-JPYJTQIMSA-N 0 3 411.550 1.832 40 0 HDABHN Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](N4CCN(C)CC4)C3)cc2)n1 ZINC000585270402 559116292 /nfs/dbraw/zinc/11/62/92/559116292.db2.gz JAYPBXRTNSNWAT-GOTSBHOMSA-N 0 3 413.566 1.371 40 0 HDABHN O[C@]1(CNCc2ccc(OCCN3CCOCC3)cc2)CCN(c2ccccn2)C1 ZINC000585274742 559118784 /nfs/dbraw/zinc/11/87/84/559118784.db2.gz ZUPCKEGVWWDDDT-QHCPKHFHSA-N 0 3 412.534 1.524 40 0 HDABHN CNC(=O)[C@H]1CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCN(S(C)(=O)=O)C1 ZINC000585282775 559120156 /nfs/dbraw/zinc/12/01/56/559120156.db2.gz HUJFHSMKYAVETK-IRFCIJBXSA-N 0 3 423.579 1.015 40 0 HDABHN Cc1ccc(OCCNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1C ZINC000585290886 559123395 /nfs/dbraw/zinc/12/33/95/559123395.db2.gz GRQOKINBJJXLEB-RTWAWAEBSA-N 0 3 420.531 1.068 40 0 HDABHN Cn1cc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2Cc2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000585295400 559142149 /nfs/dbraw/zinc/14/21/49/559142149.db2.gz YDXJZDGTSRHEJR-PABCKOPISA-N 0 3 411.477 1.736 40 0 HDABHN CN1CCC(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)CC1 ZINC000113939147 559182365 /nfs/dbraw/zinc/18/23/65/559182365.db2.gz NGQSFDHJVXMPAF-FQEVSTJZSA-N 0 3 415.515 1.853 40 0 HDABHN Cc1cc(N2CC[C@](O)(CN(C)Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257232354 559283925 /nfs/dbraw/zinc/28/39/25/559283925.db2.gz GKNNKBGRCXJCBR-QHCPKHFHSA-N 0 3 411.550 1.690 40 0 HDABHN O=C(Cc1ccccc1)N1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514288947 560033615 /nfs/dbraw/zinc/03/36/15/560033615.db2.gz HDRMIXHKFHUVAA-XZOQPEGZSA-N 0 3 405.542 1.804 40 0 biogenic,in-vitro HDABHN CS(=O)(=O)c1ccc(CN[C@H]2CO[C@@H](CN3CCC(F)(F)CC3)[C@@H]2O)cc1 ZINC000514288758 560034350 /nfs/dbraw/zinc/03/43/50/560034350.db2.gz CEUWANXKUUCPHS-YESZJQIVSA-N 0 3 404.479 1.039 40 0 biogenic,in-vitro HDABHN COC(=O)C1=C(CNCCN2CCOCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020518266 568625765 /nfs/dbraw/zinc/62/57/65/568625765.db2.gz RWYNAKYGBYMEGR-IBGZPJMESA-N 0 3 402.495 1.006 40 0 HDABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 ZINC000257219741 568781881 /nfs/dbraw/zinc/78/18/81/568781881.db2.gz DHZLBYBSVHEMSB-JOCHJYFZSA-N 0 3 413.522 1.439 40 0 HDABHN Cc1nc2cc(CCC(=O)N3CCC[C@@](O)(CN4CCN(C)CC4)CC3)ccc2[nH]1 ZINC000257296639 568803371 /nfs/dbraw/zinc/80/33/71/568803371.db2.gz RDRQJVVFTOMZFF-QHCPKHFHSA-N 0 3 413.566 1.795 40 0 HDABHN Cc1nc2ccc(CCC(=O)N3CCC[C@@](O)(CN4CCN(C)CC4)CC3)cc2[nH]1 ZINC000257296639 568803374 /nfs/dbraw/zinc/80/33/74/568803374.db2.gz RDRQJVVFTOMZFF-QHCPKHFHSA-N 0 3 413.566 1.795 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccncc3)C2)cs1 ZINC000306123149 568886434 /nfs/dbraw/zinc/88/64/34/568886434.db2.gz AFQRUSFZWCVUEU-HXUWFJFHSA-N 0 3 410.503 1.161 40 0 HDABHN Cc1cccc(CN2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)n1 ZINC000306126869 568889682 /nfs/dbraw/zinc/88/96/82/568889682.db2.gz FHLJYXITHMKEBY-QFIPXVFZSA-N 0 3 404.474 1.099 40 0 HDABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000306132748 568894786 /nfs/dbraw/zinc/89/47/86/568894786.db2.gz LQYUYDIQSIOZRK-OAQYLSRUSA-N 0 3 411.550 1.744 40 0 HDABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306135561 568897512 /nfs/dbraw/zinc/89/75/12/568897512.db2.gz OURQWSPWHVWCNV-RBUKOAKNSA-N 0 3 418.501 1.916 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccccn4)C2)C3)cc1 ZINC000306139797 568901505 /nfs/dbraw/zinc/90/15/05/568901505.db2.gz UAWKPKDPYUKJJR-HSZRJFAPSA-N 0 3 419.485 1.305 40 0 HDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CCN(Cc3ccncc3)C1)C2 ZINC000306140962 568902775 /nfs/dbraw/zinc/90/27/75/568902775.db2.gz VHSBKBNPLJEITN-QFIPXVFZSA-N 0 3 407.449 1.436 40 0 HDABHN COC(=O)c1ccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cc1OC ZINC000329033282 568973808 /nfs/dbraw/zinc/97/38/08/568973808.db2.gz QTDPPNQIIKVSKV-UHFFFAOYSA-N 0 3 422.489 1.895 40 0 HDABHN Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CN3CCCCC3)C2)cnn1C ZINC000002733035 569024471 /nfs/dbraw/zinc/02/44/71/569024471.db2.gz AOJJZRHGOINSCQ-NVXWUHKLSA-N 0 3 411.572 1.120 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O ZINC000019699828 569347095 /nfs/dbraw/zinc/34/70/95/569347095.db2.gz CNTKJMGBXPXRLJ-MRXNPFEDSA-N 0 3 414.506 1.706 40 0 HDABHN COc1ccc(-c2n[nH]cc2-c2cncn2CCN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000019719574 558257981 /nfs/dbraw/zinc/25/79/81/558257981.db2.gz LQLFLCJNOAIIRX-HNNXBMFYSA-N 0 3 401.492 1.726 40 0 HDABHN CN1CCCC[C@@H]1CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1 ZINC000019750884 558270790 /nfs/dbraw/zinc/27/07/90/558270790.db2.gz CPJPVQNREVNYGS-LJQANCHMSA-N 0 3 414.481 1.518 40 0 HDABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c(OC)c1 ZINC000019552493 558916070 /nfs/dbraw/zinc/91/60/70/558916070.db2.gz VPNGVUJLABPXAI-UHFFFAOYSA-N 0 3 400.479 1.637 40 0 HDABHN COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c(OC)c1 ZINC000019552493 558916073 /nfs/dbraw/zinc/91/60/73/558916073.db2.gz VPNGVUJLABPXAI-UHFFFAOYSA-N 0 3 400.479 1.637 40 0 HDABHN CS(=O)(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 ZINC000019572393 558930614 /nfs/dbraw/zinc/93/06/14/558930614.db2.gz AVWNRUWFBSYCRZ-KRWDZBQOSA-N 0 3 406.483 1.976 40 0 HDABHN CN1CCC(C(=O)N2CCC[C@H]2c2nc(N)ncc2-c2cccc(C(N)=O)c2)CC1 ZINC000072354947 558952360 /nfs/dbraw/zinc/95/23/60/558952360.db2.gz BCVQOMOXULTWEA-SFHVURJKSA-N 0 3 408.506 1.830 40 0 HDABHN CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C1CCN(C)CC1 ZINC000019665653 558955646 /nfs/dbraw/zinc/95/56/46/558955646.db2.gz WEPDOBSXGLSHLI-OAQYLSRUSA-N 0 3 402.495 1.405 40 0 HDABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000072398723 558976305 /nfs/dbraw/zinc/97/63/05/558976305.db2.gz QJEWPPIFDZATIQ-JXFKEZNVSA-N 0 3 408.502 1.778 40 0 HDABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000072398723 558976307 /nfs/dbraw/zinc/97/63/07/558976307.db2.gz QJEWPPIFDZATIQ-JXFKEZNVSA-N 0 3 408.502 1.778 40 0 HDABHN CN(Cc1cccnc1)C[C@H]1Cn2ccnc2CN(C(=O)CCc2cncnc2)C1 ZINC000585110692 559031491 /nfs/dbraw/zinc/03/14/91/559031491.db2.gz SGWHDSLJVSGARG-FQEVSTJZSA-N 0 3 405.506 1.791 40 0 HDABHN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056171 559094140 /nfs/dbraw/zinc/09/41/40/559094140.db2.gz QHMBORQIXIQLPR-CVDCTZTESA-N 0 3 422.533 1.449 40 0 HDABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(S(C)(=O)=O)CC3)C1=O ZINC000096062609 559094254 /nfs/dbraw/zinc/09/42/54/559094254.db2.gz RJWZCSZFRPXKJN-FQEVSTJZSA-N 0 3 406.552 1.178 40 0 HDABHN OCCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000585269653 559115863 /nfs/dbraw/zinc/11/58/63/559115863.db2.gz GNWOFGNOXKTDFA-OALUTQOASA-N 0 3 400.466 1.351 40 0 HDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585272984 559117270 /nfs/dbraw/zinc/11/72/70/559117270.db2.gz OCMXWNDAPMSGNB-HSZRJFAPSA-N 0 3 411.550 1.772 40 0 HDABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cccc(F)c3F)C2)CC1 ZINC000585285074 559121415 /nfs/dbraw/zinc/12/14/15/559121415.db2.gz CBJHEVBBCIUDKP-PXNSSMCTSA-N 0 3 414.449 1.762 40 0 HDABHN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585287878 559123150 /nfs/dbraw/zinc/12/31/50/559123150.db2.gz UITFUJXTBHHZRR-HSZRJFAPSA-N 0 3 417.550 1.588 40 0 HDABHN CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585287827 559123192 /nfs/dbraw/zinc/12/31/92/559123192.db2.gz SVCOYUAICFYWMH-GMAHTHKFSA-N 0 3 420.550 1.162 40 0 HDABHN COc1cc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc(OC)c1 ZINC000585291119 559123601 /nfs/dbraw/zinc/12/36/01/559123601.db2.gz KVYXYJDEWKWRKO-GGAORHGYSA-N 0 3 414.502 1.360 40 0 HDABHN COCCOc1cc(CN(C)C[C@]2(O)CCCN(c3ncccn3)C2)ccc1OC ZINC000257228007 559283747 /nfs/dbraw/zinc/28/37/47/559283747.db2.gz FRYOBPQXCLYTEQ-JOCHJYFZSA-N 0 3 416.522 1.974 40 0 HDABHN Cc1cc(N2CC[C@@](O)(CN(C)Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257232353 559283912 /nfs/dbraw/zinc/28/39/12/559283912.db2.gz GKNNKBGRCXJCBR-HSZRJFAPSA-N 0 3 411.550 1.690 40 0 HDABHN CC(=O)N1CCN(C[C@@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 ZINC000257262319 559284713 /nfs/dbraw/zinc/28/47/13/559284713.db2.gz LKXRCBWDGOZXBH-DEOSSOPVSA-N 0 3 424.545 1.762 40 0 HDABHN Cc1cc(N2CC[C@](O)(CNCc3ccc(OCc4nccn4C)cc3)C2)ncn1 ZINC000257269834 559285081 /nfs/dbraw/zinc/28/50/81/559285081.db2.gz MROUIZYMQQUSLS-QFIPXVFZSA-N 0 3 408.506 1.829 40 0 HDABHN COCCn1ccc(C(=O)N2CC3(C2)CC[C@@H](CN(C)Cc2cccnc2)CO3)n1 ZINC000575406007 560547379 /nfs/dbraw/zinc/54/73/79/560547379.db2.gz WOYRNYPXXRKNNN-IBGZPJMESA-N 0 3 413.522 1.678 40 0 HDABHN COCCCNC(=S)N(CCN(C)C)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000004133587 560600642 /nfs/dbraw/zinc/60/06/42/560600642.db2.gz QHTWPHIKZLXPBM-UHFFFAOYSA-N 0 3 406.552 1.811 40 0 HDABHN COC(=O)C1=C(CNCCN2CCOCC2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000019364858 560872756 /nfs/dbraw/zinc/87/27/56/560872756.db2.gz OJQXGYHCFYJSLP-LJQANCHMSA-N 0 3 402.495 1.006 40 0 HDABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-n1cnnc1 ZINC000223258482 568542913 /nfs/dbraw/zinc/54/29/13/568542913.db2.gz YMGXBTUOSFXBAP-MOPGFXCFSA-N 0 3 410.551 1.937 40 0 HDABHN CCOc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)n[nH]2)cc1 ZINC000257200276 568776083 /nfs/dbraw/zinc/77/60/83/568776083.db2.gz ACSDYXPMDVBTHL-SFTDATJTSA-N 0 3 414.506 1.773 40 0 HDABHN CN1CCC(Cc2ccccc2)(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)CC1 ZINC000257297246 568803634 /nfs/dbraw/zinc/80/36/34/568803634.db2.gz RGMWYHABAIOPON-QHCPKHFHSA-N 0 3 409.534 1.489 40 0 HDABHN COCCN1CC[C@]2(CN(Cc3cnn(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306133957 568896117 /nfs/dbraw/zinc/89/61/17/568896117.db2.gz NAFONLKKVSTRLW-WIYYLYMNSA-N 0 3 400.527 1.662 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cccnc4)C2)C3)cc1 ZINC000306134414 568896340 /nfs/dbraw/zinc/89/63/40/568896340.db2.gz NMSDVOJXSRGKQS-QHCPKHFHSA-N 0 3 419.485 1.305 40 0 HDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(OC)c2)CC1 ZINC000306142614 568904280 /nfs/dbraw/zinc/90/42/80/568904280.db2.gz XEJPTXIFUUBPJR-UHFFFAOYSA-N 0 3 413.522 1.892 40 0 HDABHN O=C(CCN1CCOC1=O)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306144316 568905587 /nfs/dbraw/zinc/90/55/87/568905587.db2.gz ZCDYQQZGRSRNCO-RXVVDRJESA-N 0 3 402.495 1.554 40 0 HDABHN O=S1(=O)C[C@H](O)[C@@H](N(CCNCc2cccc(F)c2)Cc2ccccc2F)C1 ZINC000575420865 569025805 /nfs/dbraw/zinc/02/58/05/569025805.db2.gz KQIFXRRTZIGHDX-PMACEKPBSA-N 0 3 410.486 1.715 40 0 HDABHN O=S1(=O)C[C@H](N(CCNCc2cccc(F)c2)Cc2ccccc2F)[C@H](O)C1 ZINC000575420871 569025813 /nfs/dbraw/zinc/02/58/13/569025813.db2.gz KQIFXRRTZIGHDX-VQTJNVASSA-N 0 3 410.486 1.715 40 0 HDABHN CN(C)c1cnnc(N2CCN(C(=O)CN(C)C(=O)c3ccccc3F)CC2)c1 ZINC000224316449 569057074 /nfs/dbraw/zinc/05/70/74/569057074.db2.gz SZJRFCYNNTYLIA-UHFFFAOYSA-N 0 3 400.458 1.103 40 0 HDABHN CC(=O)N1CCC(N2CCN3[C@H](CN(Cc4ccccc4)C[C@@]3(C)CO)C2)CC1 ZINC000253399018 291190369 /nfs/dbraw/zinc/19/03/69/291190369.db2.gz HYIXQVSPQPUPKS-PKTZIBPZSA-N 0 3 400.567 1.250 40 0 biogenic,in-vitro HDABHN Cc1ccccc1Cn1c2c(nc1N1CCN(CCC(C)C)CC1)n(C)c(=O)[nH]c2=O ZINC000005147907 557638043 /nfs/dbraw/zinc/63/80/43/557638043.db2.gz ZXDHBQAANLDYJY-UHFFFAOYSA-N 0 3 424.549 1.948 40 0 HDABHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CCCCCC1 ZINC000408701759 557725195 /nfs/dbraw/zinc/72/51/95/557725195.db2.gz FIDSDCYOJUAYPM-UHFFFAOYSA-N 0 3 409.552 1.622 40 0 HDABHN CN1CCC[C@H](CNC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751622 558271560 /nfs/dbraw/zinc/27/15/60/558271560.db2.gz FBXRFHRIPKICLM-OAHLLOKOSA-N 0 3 400.454 1.698 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801588 558415291 /nfs/dbraw/zinc/41/52/91/558415291.db2.gz SEKAKXHMSUWHSZ-UXHICEINSA-N 0 3 421.501 1.918 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801602 558415343 /nfs/dbraw/zinc/41/53/43/558415343.db2.gz XDUORVAPLBIMFT-ROUUACIJSA-N 0 3 422.489 1.313 40 0 HDABHN CC(C)c1ccc(N(CC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000022933317 558525171 /nfs/dbraw/zinc/52/51/71/558525171.db2.gz ZPFYPRGXVFJKTQ-UHFFFAOYSA-N 0 3 410.584 1.330 40 0 HDABHN COc1cccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@@H]23)[C@@H]2C(=O)N(CCN(C)C)C(=O)[C@@H]42)c1OC ZINC000035883742 558795563 /nfs/dbraw/zinc/79/55/63/558795563.db2.gz PDGGZHFADDVANG-PRANJPLSSA-N 0 3 413.474 1.235 40 0 HDABHN O=C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CC(O)C1 ZINC000019372445 558879498 /nfs/dbraw/zinc/87/94/98/558879498.db2.gz QVHRNKZCIBLSLD-PMACEKPBSA-N 0 3 407.518 1.496 40 0 HDABHN COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1O ZINC000019550062 558914930 /nfs/dbraw/zinc/91/49/30/558914930.db2.gz LHFIOAXBEUXHOO-INIZCTEOSA-N 0 3 400.479 1.700 40 0 HDABHN COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1O ZINC000019550062 558914932 /nfs/dbraw/zinc/91/49/32/558914932.db2.gz LHFIOAXBEUXHOO-INIZCTEOSA-N 0 3 400.479 1.700 40 0 HDABHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)CC1=O ZINC000019582831 558937555 /nfs/dbraw/zinc/93/75/55/558937555.db2.gz JYCPSIRPEONNSV-ROUUACIJSA-N 0 3 409.534 1.933 40 0 HDABHN COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)on1 ZINC000019590236 558940963 /nfs/dbraw/zinc/94/09/63/558940963.db2.gz CNHDVGIOZHEYQE-ZDUSSCGKSA-N 0 3 401.467 1.506 40 0 HDABHN COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)on1 ZINC000019590236 558940964 /nfs/dbraw/zinc/94/09/64/558940964.db2.gz CNHDVGIOZHEYQE-ZDUSSCGKSA-N 0 3 401.467 1.506 40 0 HDABHN CC1CCN([C@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2)CC1 ZINC000019662784 558953818 /nfs/dbraw/zinc/95/38/18/558953818.db2.gz OENZKONTAAPBBU-LJQANCHMSA-N 0 3 408.506 1.719 40 0 HDABHN Cn1cc(CN2CCC3(CC2)O[C@@H](C(=O)Nc2cccnc2)Cn2ccnc23)cn1 ZINC000096144685 559096876 /nfs/dbraw/zinc/09/68/76/559096876.db2.gz GFZBOAPCXXDFDT-GOSISDBHSA-N 0 3 407.478 1.540 40 0 HDABHN Cn1nc(C(=O)N2CCC[C@@]3(C[C@@H](CN4CCN(C)CC4)CO3)C2)c2ccccc21 ZINC000096228447 559102689 /nfs/dbraw/zinc/10/26/89/559102689.db2.gz XSCZASACPLYYQI-FDDCHVKYSA-N 0 3 411.550 1.832 40 0 HDABHN CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1cccs1)CCC2 ZINC000096251301 559105429 /nfs/dbraw/zinc/10/54/29/559105429.db2.gz KIJOLAIPXOFDLV-UTKZUKDTSA-N 0 3 415.563 1.924 40 0 HDABHN CC(C)n1cnc2c1[C@@H](C(=O)NCCN1CCCC1)N(C(=O)c1cccnc1)CC2 ZINC000096265074 559107640 /nfs/dbraw/zinc/10/76/40/559107640.db2.gz RKDPUDLONODXAY-FQEVSTJZSA-N 0 3 410.522 1.811 40 0 HDABHN COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)cc1 ZINC000585270511 559116309 /nfs/dbraw/zinc/11/63/09/559116309.db2.gz YEMCSSXPSZATEY-LJQANCHMSA-N 0 3 405.491 1.955 40 0 HDABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCCOc2ccccc2)C1 ZINC000585283147 559120440 /nfs/dbraw/zinc/12/04/40/559120440.db2.gz CLVMKXPIJIPZHW-PZJWPPBQSA-N 0 3 404.894 1.947 40 0 HDABHN OCCOCCOc1ccc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257297474 559285978 /nfs/dbraw/zinc/28/59/78/559285978.db2.gz RHJURTMOORFILK-FQEVSTJZSA-N 0 3 414.493 1.742 40 0 HDABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)Oc2cc(-c4cnn(C)c4)ccc2C(=O)N3C)CC1 ZINC000514290035 560030769 /nfs/dbraw/zinc/03/07/69/560030769.db2.gz RGKNWGKWZKDKRH-IRLDBZIGSA-N 0 3 423.517 1.615 40 0 biogenic,in-vitro HDABHN COc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1N1C(=O)CCC1=O ZINC000225430903 568637548 /nfs/dbraw/zinc/63/75/48/568637548.db2.gz LNWMUILBRPBWSX-OAHLLOKOSA-N 0 3 423.535 1.749 40 0 HDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cncn3C)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257231551 568785410 /nfs/dbraw/zinc/78/54/10/568785410.db2.gz GHFWQDAKXDHAMG-LMCOJAPRSA-N 0 3 400.479 1.204 40 0 HDABHN CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000257245509 568789165 /nfs/dbraw/zinc/78/91/65/568789165.db2.gz IPVSMIJHHZPIGP-LJQANCHMSA-N 0 3 424.501 1.793 40 0 HDABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 ZINC000257297988 568803896 /nfs/dbraw/zinc/80/38/96/568803896.db2.gz RJQKEIWRDSAPNN-JOCHJYFZSA-N 0 3 413.522 1.439 40 0 HDABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000306132747 568894883 /nfs/dbraw/zinc/89/48/83/568894883.db2.gz LQYUYDIQSIOZRK-NRFANRHFSA-N 0 3 411.550 1.744 40 0 HDABHN COc1ncccc1CN1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306135559 568897569 /nfs/dbraw/zinc/89/75/69/568897569.db2.gz OURQWSPWHVWCNV-MOPGFXCFSA-N 0 3 418.501 1.916 40 0 HDABHN Cn1cncc1CNc1ncc2c(n1)[C@]1(CCN(Cc3ccc(=O)[nH]c3)C1)COC2 ZINC000306139278 568901187 /nfs/dbraw/zinc/90/11/87/568901187.db2.gz STTVGUSNQUASQD-NRFANRHFSA-N 0 3 407.478 1.597 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cccs4)C2)C3)cs1 ZINC000306141719 568903261 /nfs/dbraw/zinc/90/32/61/568903261.db2.gz WEQCQEBDALHIEQ-IBGZPJMESA-N 0 3 415.544 1.728 40 0 HDABHN O=C(CCN1CCOC1=O)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306144314 568905703 /nfs/dbraw/zinc/90/57/03/568905703.db2.gz ZCDYQQZGRSRNCO-GHTZIAJQSA-N 0 3 402.495 1.554 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O ZINC000019699915 569347155 /nfs/dbraw/zinc/34/71/55/569347155.db2.gz KLCASSBHUULUDJ-KRWDZBQOSA-N 0 3 402.470 1.837 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O ZINC000019699854 569347161 /nfs/dbraw/zinc/34/71/61/569347161.db2.gz MHYYQLIAWLQRSC-LJQANCHMSA-N 0 3 412.534 1.935 40 0 HDABHN COCCN1CC=CCC2(CCN(Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)C1=O ZINC000019742711 569348717 /nfs/dbraw/zinc/34/87/17/569348717.db2.gz ZWJAPDFANNGVEN-UHFFFAOYSA-N 0 3 412.534 1.894 40 0 HDABHN Cc1cc2c(cc1CN1CCC(c3ccc(C(N)=O)c(N)n3)CC1)n(C)c(=O)n2C ZINC000019765771 569349075 /nfs/dbraw/zinc/34/90/75/569349075.db2.gz WKYVINGWKBQHDF-UHFFFAOYSA-N 0 3 408.506 1.641 40 0 HDABHN OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](N2CCc3ccccc3C2)[C@@H]1O ZINC000020465253 575367454 /nfs/dbraw/zinc/36/74/54/575367454.db2.gz LGWYHJJCDQHQCB-CLAROIROSA-N 0 3 402.922 1.977 40 0 biogenic,in-vitro HDABHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000012181171 536432340 /nfs/dbraw/zinc/43/23/40/536432340.db2.gz OBFFXLZQNMQAKF-QGZVFWFLSA-N 0 3 411.506 1.661 40 0 HDABHN CC1CCN(c2ncc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000019719995 558258741 /nfs/dbraw/zinc/25/87/41/558258741.db2.gz LMDLYEBGQIEJID-KRWDZBQOSA-N 0 3 404.540 1.353 40 0 HDABHN CN(C)Cc1ccc(CNC(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)cc1 ZINC000019750881 558270685 /nfs/dbraw/zinc/27/06/85/558270685.db2.gz PCZWODQKZHJUCD-UHFFFAOYSA-N 0 3 410.518 1.852 40 0 HDABHN CN1CCC(NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)CC1 ZINC000019750845 558270700 /nfs/dbraw/zinc/27/07/00/558270700.db2.gz DFPFLQLCTUFEFU-UHFFFAOYSA-N 0 3 400.454 1.128 40 0 HDABHN O=C(Cn1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1=O)Nc1nccs1 ZINC000019750808 558270743 /nfs/dbraw/zinc/27/07/43/558270743.db2.gz LHOMMIHVMNLZHZ-UHFFFAOYSA-N 0 3 415.519 1.644 40 0 HDABHN CN1CCC[C@H](CNC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019751274 558271219 /nfs/dbraw/zinc/27/12/19/558271219.db2.gz SLHGFZIQAHZYPC-QGZVFWFLSA-N 0 3 414.481 1.375 40 0 HDABHN CN1CCCC[C@@H]1CNC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O ZINC000019751369 558271293 /nfs/dbraw/zinc/27/12/93/558271293.db2.gz SCKRDHVCRXTJEA-LJQANCHMSA-N 0 3 414.481 1.518 40 0 HDABHN O=C(NCCN1CCCCC1)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000019293181 558864963 /nfs/dbraw/zinc/86/49/63/558864963.db2.gz OEHAGZDECFNFLQ-UHFFFAOYSA-N 0 3 411.506 1.853 40 0 HDABHN O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)cc2c(=O)[nH]1 ZINC000019346300 558873526 /nfs/dbraw/zinc/87/35/26/558873526.db2.gz NZODQKHYJVFBSG-AWEZNQCLSA-N 0 3 406.508 1.246 40 0 HDABHN COCCNC(=O)[C@@H]1CN(Cc2ccncc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593511 558944559 /nfs/dbraw/zinc/94/45/59/558944559.db2.gz IQCDOXSODJHBFI-RTBURBONSA-N 0 3 410.522 1.450 40 0 HDABHN COCCOc1cc(CN(C)C[C@@]2(O)CCN(c3ncccn3)C2)ccc1OC ZINC000257339600 559283500 /nfs/dbraw/zinc/28/35/00/559283500.db2.gz ZCKSJXWPUDHXNL-NRFANRHFSA-N 0 3 402.495 1.584 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3cnco3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257226971 559283820 /nfs/dbraw/zinc/28/38/20/559283820.db2.gz FNAUCDUQYABGCW-JTAQYXEDSA-N 0 3 412.534 1.893 40 0 HDABHN COCCOc1cc(CN(C)C[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OC ZINC000257228008 559283825 /nfs/dbraw/zinc/28/38/25/559283825.db2.gz FRYOBPQXCLYTEQ-QFIPXVFZSA-N 0 3 416.522 1.974 40 0 HDABHN CN(C)CCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000010111643 560763771 /nfs/dbraw/zinc/76/37/71/560763771.db2.gz BQKHUMRSGXZVQG-UHFFFAOYSA-N 0 3 419.503 1.331 40 0 HDABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-n1cnnc1 ZINC000223258428 568542802 /nfs/dbraw/zinc/54/28/02/568542802.db2.gz YMGXBTUOSFXBAP-RTBURBONSA-N 0 3 410.551 1.937 40 0 HDABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-n1cnnc1 ZINC000223258526 568542841 /nfs/dbraw/zinc/54/28/41/568542841.db2.gz YMGXBTUOSFXBAP-RBUKOAKNSA-N 0 3 410.551 1.937 40 0 HDABHN O=C(COc1ccc(CN2CCCC2)cc1)NC[C@@]1(O)CCN(c2cnccn2)C1 ZINC000257278072 568798047 /nfs/dbraw/zinc/79/80/47/568798047.db2.gz OARMBFUFPDAYPH-QFIPXVFZSA-N 0 3 411.506 1.209 40 0 HDABHN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@](O)(CN2CCOCC2)CC1 ZINC000257334659 568814290 /nfs/dbraw/zinc/81/42/90/568814290.db2.gz YGWKXGXYYVJHOS-NRFANRHFSA-N 0 3 402.470 1.905 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4cccc(C)c4)C2)C3)cs1 ZINC000306125122 568887948 /nfs/dbraw/zinc/88/79/48/568887948.db2.gz CHTAHIYTBBKJAX-JOCHJYFZSA-N 0 3 423.542 1.975 40 0 HDABHN CS(=O)(=O)N[C@H]1CCN(C(=O)CC2CC2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306128101 568890983 /nfs/dbraw/zinc/89/09/83/568890983.db2.gz GQDGSHSPUNCYLH-PZJWPPBQSA-N 0 3 405.564 1.829 40 0 HDABHN CN1c2nn(-c3ccc(F)cc3)c(=O)c(=O)n2CC12CCN(Cc1ccccn1)CC2 ZINC000306129254 568891909 /nfs/dbraw/zinc/89/19/09/568891909.db2.gz HYNWAOXXEMUCFE-UHFFFAOYSA-N 0 3 422.464 1.413 40 0 HDABHN CN(C)[C@@H]1CCN(C(=O)c2ncn3c2-c2nc(NCc4ccco4)ncc2CC3)C1 ZINC000306132928 568895066 /nfs/dbraw/zinc/89/50/66/568895066.db2.gz LWPFTFLGXYNCMG-OAHLLOKOSA-N 0 3 407.478 1.877 40 0 HDABHN COCCN1CCO[C@]2(CN(Cc3sccc3C)C[C@@H]2c2ccnn2C)C1=O ZINC000306134425 568896224 /nfs/dbraw/zinc/89/62/24/568896224.db2.gz NMVGAWQSQUNGIY-UZLBHIALSA-N 0 3 404.536 1.633 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)cc1F ZINC000306136793 568898778 /nfs/dbraw/zinc/89/87/78/568898778.db2.gz QDLZOQCHTOUDAG-KDOFPFPSSA-N 0 3 402.488 1.335 40 0 HDABHN CN(C)CCN1C[C@@H]2N(S(=O)(=O)C3CC3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306140806 568902627 /nfs/dbraw/zinc/90/26/27/568902627.db2.gz VENARROVUKKBTQ-PZJWPPBQSA-N 0 3 405.564 1.675 40 0 HDABHN COC(=O)c1ccc(OC)c(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c1 ZINC000329036594 568973920 /nfs/dbraw/zinc/97/39/20/568973920.db2.gz RKGDSCUVAAKLHI-UHFFFAOYSA-N 0 3 422.489 1.895 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c(OC)c1 ZINC000224316003 569057115 /nfs/dbraw/zinc/05/71/15/569057115.db2.gz VWVIHHXLWPFTDF-UHFFFAOYSA-N 0 3 407.496 1.071 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O ZINC000019699813 569347044 /nfs/dbraw/zinc/34/70/44/569347044.db2.gz RDZWAQKQUQQTAX-SFHVURJKSA-N 0 3 416.497 1.766 40 0 HDABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1 ZINC000020503901 291191852 /nfs/dbraw/zinc/19/18/52/291191852.db2.gz QTEJZRJYOMFSSZ-SLFFLAALSA-N 0 3 400.571 1.622 40 0 biogenic,in-vitro HDABHN O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCC3)cc2c(=O)[nH]1 ZINC000012239526 558360135 /nfs/dbraw/zinc/36/01/35/558360135.db2.gz KXULUUFAXQSEIX-UHFFFAOYSA-N 0 3 414.487 1.291 40 0 HDABHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)cc2c(=O)[nH]1 ZINC000012362262 558387521 /nfs/dbraw/zinc/38/75/21/558387521.db2.gz BSDDZMSRSQKWKE-HNNXBMFYSA-N 0 3 414.487 1.017 40 0 HDABHN COc1ccc(C)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 ZINC000013671853 558562803 /nfs/dbraw/zinc/56/28/03/558562803.db2.gz HSBNRDIFTDEZTL-UHFFFAOYSA-N 0 3 405.520 1.877 40 0 HDABHN O=C(Cn1ccc(=O)[nH]c1=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019332760 558868969 /nfs/dbraw/zinc/86/89/69/558868969.db2.gz YOBNHYQSMJHOTR-UHFFFAOYSA-N 0 3 416.909 1.502 40 0 HDABHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)ccc1OCC(N)=O ZINC000019550198 558914963 /nfs/dbraw/zinc/91/49/63/558914963.db2.gz IUGZHYXESGSIEQ-IERDGZPVSA-N 0 3 419.428 1.947 40 0 HDABHN CCN(CC)CC(=O)N1CCC(c2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 ZINC000019697340 558964963 /nfs/dbraw/zinc/96/49/63/558964963.db2.gz WBDODTVQOKQLLA-KRWDZBQOSA-N 0 3 416.570 1.536 40 0 HDABHN Cc1nn(CCC(=O)N2CCC(c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)CC2)c(C)c1C ZINC000072398690 558976252 /nfs/dbraw/zinc/97/62/52/558976252.db2.gz QFWUFJYLHMIQLJ-UHFFFAOYSA-N 0 3 412.538 1.676 40 0 HDABHN Cc1nn(CCC(=O)N2CCC(c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)CC2)c(C)c1C ZINC000072398690 558976254 /nfs/dbraw/zinc/97/62/54/558976254.db2.gz QFWUFJYLHMIQLJ-UHFFFAOYSA-N 0 3 412.538 1.676 40 0 HDABHN COc1ncc(CN2C[C@H](C(=O)NCc3ccon3)C3(C2)CCOCC3)cc1C ZINC000585101984 559025019 /nfs/dbraw/zinc/02/50/19/559025019.db2.gz QIBPFDLJWJQHMH-GOSISDBHSA-N 0 3 400.479 1.932 40 0 HDABHN CCn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCc3noc(C)n3)C2)cn1 ZINC000585109440 559030454 /nfs/dbraw/zinc/03/04/54/559030454.db2.gz PAQYQQPINNFCQI-KURKYZTESA-N 0 3 402.499 1.180 40 0 HDABHN CCc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCCN(C)C)Cn2ccnc23)o1 ZINC000096243738 559104870 /nfs/dbraw/zinc/10/48/70/559104870.db2.gz KGGDTAMQGNSCBU-IBGZPJMESA-N 0 3 415.538 1.606 40 0 HDABHN O=C(NC[C@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096243772 559104918 /nfs/dbraw/zinc/10/49/18/559104918.db2.gz UVNKJWBQPHCJQC-MOPGFXCFSA-N 0 3 411.506 1.463 40 0 HDABHN COCCN1CCC2(CC3(CCN(C(=O)c4cc(C)on4)CC3)N(C)C2=O)CC1 ZINC000096262351 559106422 /nfs/dbraw/zinc/10/64/22/559106422.db2.gz BNTVYGAJLSRRMY-UHFFFAOYSA-N 0 3 404.511 1.549 40 0 HDABHN CN(C)c1ncncc1N1CC[C@@](O)(CN(C)Cc2ccc(OCCCO)cc2)C1 ZINC000585269866 559116063 /nfs/dbraw/zinc/11/60/63/559116063.db2.gz NRWFWZMWDCPGIS-JOCHJYFZSA-N 0 3 415.538 1.377 40 0 HDABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000585269842 559116103 /nfs/dbraw/zinc/11/61/03/559116103.db2.gz LYNAPJIYZNZHJE-JOCHJYFZSA-N 0 3 416.522 1.328 40 0 HDABHN CN(C)c1ncncc1N1CC[C@@](O)(CN(C)Cc2ccc(OCCF)cc2)C1 ZINC000585270277 559116333 /nfs/dbraw/zinc/11/63/33/559116333.db2.gz SNHTYZILSODCJE-OAQYLSRUSA-N 0 3 403.502 1.964 40 0 HDABHN CN(C)c1ncncc1N1CC[C@](O)(CN(C)Cc2ccc(OCCF)cc2)C1 ZINC000585270276 559116363 /nfs/dbraw/zinc/11/63/63/559116363.db2.gz SNHTYZILSODCJE-NRFANRHFSA-N 0 3 403.502 1.964 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585281747 559119413 /nfs/dbraw/zinc/11/94/13/559119413.db2.gz AKTVAVDYBGIPLQ-UGKGYDQZSA-N 0 3 422.522 1.155 40 0 HDABHN COCC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585283197 559120531 /nfs/dbraw/zinc/12/05/31/559120531.db2.gz QXLBGGMNSRNYIM-HXUWFJFHSA-N 0 3 414.449 1.044 40 0 HDABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1c(C)n[nH]c1C)C2 ZINC000257208132 568778606 /nfs/dbraw/zinc/77/86/06/568778606.db2.gz BKWXZASNJHJCJG-PTUXOGIPSA-N 0 3 424.549 1.849 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccno3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257286533 568800404 /nfs/dbraw/zinc/80/04/04/568800404.db2.gz PLYQCPWEAXCCBU-JTAQYXEDSA-N 0 3 412.534 1.893 40 0 HDABHN O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1ccc(OCCN2CCCC2)cc1 ZINC000257308521 568807012 /nfs/dbraw/zinc/80/70/12/568807012.db2.gz TXAPZNFBWXHUPM-JOCHJYFZSA-N 0 3 411.506 1.322 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4cccs4)C2)C3)cc1 ZINC000306128209 568890987 /nfs/dbraw/zinc/89/09/87/568890987.db2.gz GUJMSZNAUFXSAO-JOCHJYFZSA-N 0 3 424.526 1.972 40 0 HDABHN COCCN1CCC2(CC1)Cn1c(nnc1C(=O)Nc1cccc(OC)c1)CO2 ZINC000306131786 568893876 /nfs/dbraw/zinc/89/38/76/568893876.db2.gz KPPGWYNPILVDJS-UHFFFAOYSA-N 0 3 401.467 1.550 40 0 HDABHN CCOc1cc(CN2CCC3(C[C@@H](CNS(=O)(=O)C4CC4)O3)CC2)ccc1O ZINC000306138004 568899771 /nfs/dbraw/zinc/89/97/71/568899771.db2.gz RMKRUXAFWUEDAB-INIZCTEOSA-N 0 3 410.536 1.996 40 0 HDABHN CN(C)CCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000010111568 569342885 /nfs/dbraw/zinc/34/28/85/569342885.db2.gz DXDQCEDABYJLJY-UHFFFAOYSA-N 0 3 401.838 1.803 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCCCC3)C2)cc1 ZINC000026111357 569349892 /nfs/dbraw/zinc/34/98/92/569349892.db2.gz IPDRMKTVFIGXEZ-KRWDZBQOSA-N 0 3 409.552 1.698 40 0 HDABHN COC[C@H]1CCCN1[C@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465319 575367866 /nfs/dbraw/zinc/36/78/66/575367866.db2.gz ZEHQWJUCTKNDFK-DFBDCSAJSA-N 0 3 413.902 1.062 40 0 biogenic,in-vitro HDABHN CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H](NCc3ccc(F)cc3)[C@H](O)[C@@H]2O)cc1 ZINC000225502641 291197824 /nfs/dbraw/zinc/19/78/24/291197824.db2.gz PIWGHDKKEAITAS-DMSXTEQDSA-N 0 3 409.479 1.508 40 0 biogenic,in-vitro HDABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299739 291200616 /nfs/dbraw/zinc/20/06/16/291200616.db2.gz QIINWWJVPVEKHE-ZNMIVQPWSA-N 0 3 402.524 1.845 40 0 biogenic,in-vitro HDABHN CN1CCC[C@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019750979 558271005 /nfs/dbraw/zinc/27/10/05/558271005.db2.gz UNUSIWHFDDNUBD-SFHVURJKSA-N 0 3 400.454 1.128 40 0 HDABHN CN1CCC[C@@H](NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 ZINC000019751295 558271306 /nfs/dbraw/zinc/27/13/06/558271306.db2.gz FPCMCTPTAFKHHC-GOSISDBHSA-N 0 3 400.454 1.128 40 0 HDABHN COc1ccccc1CNC(=O)c1cnc(C2CCN(CCC(N)=O)CC2)nc1C ZINC000019766594 558278810 /nfs/dbraw/zinc/27/88/10/558278810.db2.gz OBFJOANDCOGVCX-UHFFFAOYSA-N 0 3 411.506 1.778 40 0 HDABHN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000022829919 558515395 /nfs/dbraw/zinc/51/53/95/558515395.db2.gz BUBKQRTTXYTCLN-UHFFFAOYSA-N 0 3 408.568 1.147 40 0 HDABHN Cc1ccc(C)c(N([C@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022933335 558525190 /nfs/dbraw/zinc/52/51/90/558525190.db2.gz JSCMKKYHDHERAJ-GOSISDBHSA-N 0 3 410.584 1.212 40 0 HDABHN Cc1nonc1C(=O)NCC(=O)NC1CCN(CC2(c3ccc(C)cc3)CC2)CC1 ZINC000019208375 558847530 /nfs/dbraw/zinc/84/75/30/558847530.db2.gz MEBNVLQYHRYPMK-UHFFFAOYSA-N 0 3 411.506 1.729 40 0 HDABHN O=C1CC[C@@H](NCc2cnc(N3CCOCC3)nc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019291887 558864336 /nfs/dbraw/zinc/86/43/36/558864336.db2.gz SLJRKRMMUVVMGH-MJGOQNOKSA-N 0 3 403.433 1.701 40 0 HDABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)[n-]c(=O)c2C1 ZINC000019590267 558940974 /nfs/dbraw/zinc/94/09/74/558940974.db2.gz HUPLNJSCWWRAJN-OAHLLOKOSA-N 0 3 410.474 1.961 40 0 HDABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)[n-]c(=O)c2C1 ZINC000019590267 558940976 /nfs/dbraw/zinc/94/09/76/558940976.db2.gz HUPLNJSCWWRAJN-OAHLLOKOSA-N 0 3 410.474 1.961 40 0 HDABHN COCCNC(=O)[C@@H]1CN(Cc2ccccn2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593509 558944647 /nfs/dbraw/zinc/94/46/47/558944647.db2.gz GQQJWWXJUTVJOM-RTBURBONSA-N 0 3 410.522 1.450 40 0 HDABHN COCCOc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019593732 558944961 /nfs/dbraw/zinc/94/49/61/558944961.db2.gz LUVQDACJHFBFCG-UHFFFAOYSA-N 0 3 414.506 1.645 40 0 HDABHN COCCOc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019593732 558944964 /nfs/dbraw/zinc/94/49/64/558944964.db2.gz LUVQDACJHFBFCG-UHFFFAOYSA-N 0 3 414.506 1.645 40 0 HDABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)C2CCN(C(C)=O)CC2)C1 ZINC000072354517 558951723 /nfs/dbraw/zinc/95/17/23/558951723.db2.gz TYTWZKDNXAGMDI-NRFANRHFSA-N 0 3 401.551 1.894 40 0 HDABHN CC1CCN([C@@H](CNC(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2)CC1 ZINC000019662783 558953788 /nfs/dbraw/zinc/95/37/88/558953788.db2.gz OENZKONTAAPBBU-IBGZPJMESA-N 0 3 408.506 1.719 40 0 HDABHN COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)c1 ZINC000585269707 559116014 /nfs/dbraw/zinc/11/60/14/559116014.db2.gz IHIGEBYTULLREG-IBGZPJMESA-N 0 3 405.491 1.955 40 0 HDABHN O[C@@]1(CNCc2ccc(OCCN3CCOCC3)cc2)CCN(c2ccccn2)C1 ZINC000585274740 559118802 /nfs/dbraw/zinc/11/88/02/559118802.db2.gz ZUPCKEGVWWDDDT-HSZRJFAPSA-N 0 3 412.534 1.524 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)CC1 ZINC000585284248 559121018 /nfs/dbraw/zinc/12/10/18/559121018.db2.gz WEHDRTGNCRMZFL-UGKGYDQZSA-N 0 3 422.522 1.155 40 0 HDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(c3ccccc3)CC2)C1 ZINC000585288896 559122290 /nfs/dbraw/zinc/12/22/90/559122290.db2.gz ALVOMLNITHRQOT-YADHBBJMSA-N 0 3 416.543 1.663 40 0 HDABHN O=C1CCCN1CCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257244190 559284198 /nfs/dbraw/zinc/28/41/98/559284198.db2.gz IKHCGBBOGPTLDG-PMACEKPBSA-N 0 3 423.504 1.964 40 0 HDABHN CC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCCn3nc(C)cc3C)cc2)[C@H](O)C1 ZINC000257248395 559284425 /nfs/dbraw/zinc/28/44/25/559284425.db2.gz JDLPWSCMWYCREN-CEMLEFRQSA-N 0 3 416.522 1.011 40 0 HDABHN CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)cc1 ZINC000257253444 559284629 /nfs/dbraw/zinc/28/46/29/559284629.db2.gz JYYKFJQIMRTWGO-HSZRJFAPSA-N 0 3 419.566 1.639 40 0 HDABHN Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCc4nccn4C)cc3)C2)ncn1 ZINC000257269833 559284993 /nfs/dbraw/zinc/28/49/93/559284993.db2.gz MROUIZYMQQUSLS-JOCHJYFZSA-N 0 3 408.506 1.829 40 0 HDABHN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCN(C)C)Oc3ccccc32)cc1 ZINC000010111648 560763773 /nfs/dbraw/zinc/76/37/73/560763773.db2.gz HOPCPPSQSXUZTG-IBGZPJMESA-N 0 3 403.504 1.629 40 0 HDABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1N1C(=O)CCC1=O ZINC000222951141 568532103 /nfs/dbraw/zinc/53/21/03/568532103.db2.gz CKGQAEKKBMRWDN-UHFFFAOYSA-N 0 3 409.508 1.503 40 0 HDABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3F)C[C@H]2NC(=O)CN)CC1 ZINC000257290853 568801843 /nfs/dbraw/zinc/80/18/43/568801843.db2.gz QEPQGYAMOLSRSV-LMQGHGSNSA-N 0 3 407.530 1.908 40 0 HDABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cnn(C)c3)CC1)COC2 ZINC000306135571 568897544 /nfs/dbraw/zinc/89/75/44/568897544.db2.gz OUXSSBHFLYHZCA-OAHLLOKOSA-N 0 3 401.515 1.353 40 0 HDABHN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CCN(Cc2cccc(F)c2)C1 ZINC000306139510 568901436 /nfs/dbraw/zinc/90/14/36/568901436.db2.gz SZDJWSYQTCYADQ-JOCHJYFZSA-N 0 3 407.449 1.535 40 0 HDABHN CN(C)[C@H]1CCN(C(=O)c2nc([C@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)C1 ZINC000306139685 568901643 /nfs/dbraw/zinc/90/16/43/568901643.db2.gz TXPOGHKFCDZZII-HOTGVXAUSA-N 0 3 419.551 1.249 40 0 HDABHN CCN(CC)CC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 ZINC000019695040 569346720 /nfs/dbraw/zinc/34/67/20/569346720.db2.gz WMTYKUHVAQDDCT-GOSISDBHSA-N 0 3 424.549 1.966 40 0 HDABHN CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1 ZINC000225511263 291191830 /nfs/dbraw/zinc/19/18/30/291191830.db2.gz OLVMKEGFNDKGOP-ZLJHSHKTSA-N 0 3 416.440 1.996 40 0 biogenic,in-vitro HDABHN CS(=O)(=O)c1ccc(OC[C@@]2(CNCc3ccc(F)cc3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107430507 291197781 /nfs/dbraw/zinc/19/77/81/291197781.db2.gz BVQWYXRENQXPHU-AERCQKQUSA-N 0 3 423.506 1.900 40 0 biogenic,in-vitro HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674607 558399198 /nfs/dbraw/zinc/39/91/98/558399198.db2.gz DFZGOBGVILKBJM-IRXDYDNUSA-N 0 3 416.478 1.475 40 0 HDABHN CCOC(=O)C1=C([O-])NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674700 558399277 /nfs/dbraw/zinc/39/92/77/558399277.db2.gz SZMXMWDJDHKLMG-CVEARBPZSA-N 0 3 420.441 1.306 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674700 558399280 /nfs/dbraw/zinc/39/92/80/558399280.db2.gz SZMXMWDJDHKLMG-CVEARBPZSA-N 0 3 420.441 1.306 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801543 558415328 /nfs/dbraw/zinc/41/53/28/558415328.db2.gz UOSNBKZABWIFGT-SJORKVTESA-N 0 3 416.478 1.475 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801537 558415350 /nfs/dbraw/zinc/41/53/50/558415350.db2.gz UOSNBKZABWIFGT-IAGOWNOFSA-N 0 3 416.478 1.475 40 0 HDABHN CS(=O)(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019572720 558930915 /nfs/dbraw/zinc/93/09/15/558930915.db2.gz RXYBMGQIQMHZLQ-OAHLLOKOSA-N 0 3 420.510 1.606 40 0 HDABHN CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(CC)c2)C1)C1CCN(C)CC1 ZINC000019665191 558955404 /nfs/dbraw/zinc/95/54/04/558955404.db2.gz XMQUKAMPERMQMD-MRXNPFEDSA-N 0 3 411.572 1.246 40 0 HDABHN Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)CN1CCCCCC1)C2 ZINC000019696107 558964359 /nfs/dbraw/zinc/96/43/59/558964359.db2.gz AAEMRTHPMAIKPD-IBGZPJMESA-N 0 3 410.522 1.433 40 0 HDABHN C[C@@H]1CCN(C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C[C@H]1O ZINC000585103797 559025762 /nfs/dbraw/zinc/02/57/62/559025762.db2.gz KDINCNGSWSZECU-QWFCFKBJSA-N 0 3 408.564 1.949 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@@]1(CCN(C(=O)Cc3ccccc3)C1)CC2 ZINC000585106783 559029178 /nfs/dbraw/zinc/02/91/78/559029178.db2.gz JFKSWALJANEQPY-QHCPKHFHSA-N 0 3 424.549 1.367 40 0 HDABHN Cc1ccoc1C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096083064 559094894 /nfs/dbraw/zinc/09/48/94/559094894.db2.gz CYHLMNASKVPVTM-GCJKJVERSA-N 0 3 413.522 1.764 40 0 HDABHN Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000096251299 559105399 /nfs/dbraw/zinc/10/53/99/559105399.db2.gz IECKCNCIWUDNOR-GCJKJVERSA-N 0 3 413.522 1.764 40 0 HDABHN CNc1cc(N2CCC[C@@](O)(CNC(=O)CCCN3Cc4ccccc4C3)C2)ncn1 ZINC000585263186 559111917 /nfs/dbraw/zinc/11/19/17/559111917.db2.gz ICJSDLGFAXVZTR-HSZRJFAPSA-N 0 3 424.549 1.762 40 0 HDABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN(CCO)Cc2ccccc2)C1 ZINC000585290815 559123406 /nfs/dbraw/zinc/12/34/06/559123406.db2.gz FYMURTNEEVFHRT-IRLDBZIGSA-N 0 3 418.921 1.311 40 0 HDABHN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000224440505 568581310 /nfs/dbraw/zinc/58/13/10/568581310.db2.gz DATFOFJUCGZDLM-UHFFFAOYSA-N 0 3 405.520 1.807 40 0 HDABHN CC(=O)N[C@]12CN(CC(=O)Nc3c(C)n[nH]c3C)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257205074 568777683 /nfs/dbraw/zinc/77/76/83/568777683.db2.gz AXNZSUPXZKXYGS-UEVCKROQSA-N 0 3 424.549 1.849 40 0 HDABHN N[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1 ZINC000257257876 568792285 /nfs/dbraw/zinc/79/22/85/568792285.db2.gz KRLLNSSIBVPIES-IBGZPJMESA-N 0 3 421.501 1.353 40 0 HDABHN CNCc1cc(NC)nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019760621 568871102 /nfs/dbraw/zinc/87/11/02/568871102.db2.gz RKQDLHRYZAQJKD-HNNXBMFYSA-N 0 3 419.507 1.535 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccncc4)C2)C3)cc1 ZINC000306128639 568891462 /nfs/dbraw/zinc/89/14/62/568891462.db2.gz HHDWJDLFOQXFBG-HSZRJFAPSA-N 0 3 419.485 1.305 40 0 HDABHN Cn1cc(CN2CCC3(CC2)COCc2nnc(C(=O)NC(C)(C)C)n2C3)cn1 ZINC000306130317 568892627 /nfs/dbraw/zinc/89/26/27/568892627.db2.gz JCFIGZRSYLSIJJ-UHFFFAOYSA-N 0 3 401.515 1.353 40 0 HDABHN Cc1nc(C)c(CN2CC[C@@]3(C2)COCc2cnc(N4CCN(C)CC4)nc23)s1 ZINC000306130558 568892911 /nfs/dbraw/zinc/89/29/11/568892911.db2.gz JJSBHZAKLYAYBB-OAQYLSRUSA-N 0 3 414.579 1.976 40 0 HDABHN Cn1cc(CN2Cc3cnc(N4CCOCC4)nc3[C@@]3(CCN(CC4CC4)C3)C2)cn1 ZINC000306133445 568895366 /nfs/dbraw/zinc/89/53/66/568895366.db2.gz MLQGYGSRLOUDEW-HSZRJFAPSA-N 0 3 423.565 1.416 40 0 HDABHN O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CCN(Cc2cccc(F)c2)C1 ZINC000306139511 568901289 /nfs/dbraw/zinc/90/12/89/568901289.db2.gz SZDJWSYQTCYADQ-QFIPXVFZSA-N 0 3 407.449 1.535 40 0 HDABHN O=C(CCN1CCOC1=O)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306144317 568905598 /nfs/dbraw/zinc/90/55/98/568905598.db2.gz ZCDYQQZGRSRNCO-WIYYLYMNSA-N 0 3 402.495 1.554 40 0 HDABHN COC(=O)c1ccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cc1OC ZINC000329027036 568973535 /nfs/dbraw/zinc/97/35/35/568973535.db2.gz PQOGQRAKEQIMRX-UHFFFAOYSA-N 0 3 422.489 1.895 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3cccc(OC)c3)CC1)C2=O ZINC000019699538 569347005 /nfs/dbraw/zinc/34/70/05/569347005.db2.gz QBOACHBOCJTHMD-UHFFFAOYSA-N 0 3 414.506 1.706 40 0 HDABHN CNc1cc(CN(C)C(C)=O)nc(C2CCN(C(=O)CN3CCC[C@H](C)C3)CC2)n1 ZINC000019710151 569348166 /nfs/dbraw/zinc/34/81/66/569348166.db2.gz FVWHEUVJBDHCOC-INIZCTEOSA-N 0 3 416.570 1.935 40 0 HDABHN CN1CCCC[C@H]1CNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750726 558270722 /nfs/dbraw/zinc/27/07/22/558270722.db2.gz CYCDHVOFQTZBDB-KRWDZBQOSA-N 0 3 400.454 1.840 40 0 HDABHN Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019751999 558271794 /nfs/dbraw/zinc/27/17/94/558271794.db2.gz ZTGLMHJAQSGMKN-UHFFFAOYSA-N 0 3 401.511 1.059 40 0 HDABHN COc1cc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)ccc1OCC(N)=O ZINC000012155333 558339980 /nfs/dbraw/zinc/33/99/80/558339980.db2.gz HXJXAXPTDXKUDD-UHFFFAOYSA-N 0 3 424.505 1.872 40 0 HDABHN COCCNC(=O)Cn1cc(CN2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC000012240783 558360406 /nfs/dbraw/zinc/36/04/06/558360406.db2.gz ASOOHSGRKVMELT-UHFFFAOYSA-N 0 3 414.550 1.701 40 0 HDABHN CCOC(=O)C1=C([O-])NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674703 558399251 /nfs/dbraw/zinc/39/92/51/558399251.db2.gz SZMXMWDJDHKLMG-HOTGVXAUSA-N 0 3 420.441 1.306 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674703 558399253 /nfs/dbraw/zinc/39/92/53/558399253.db2.gz SZMXMWDJDHKLMG-HOTGVXAUSA-N 0 3 420.441 1.306 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801590 558415305 /nfs/dbraw/zinc/41/53/05/558415305.db2.gz SEKAKXHMSUWHSZ-PMACEKPBSA-N 0 3 421.501 1.918 40 0 HDABHN CN1CCN(CCCNC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)CC1 ZINC000022934748 558526092 /nfs/dbraw/zinc/52/60/92/558526092.db2.gz BREWSGUGQLLRLH-UHFFFAOYSA-N 0 3 418.563 1.360 40 0 HDABHN CN1CCN(CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)CC1 ZINC000022934641 558526111 /nfs/dbraw/zinc/52/61/11/558526111.db2.gz RQYIPCYCKIMUQN-UHFFFAOYSA-N 0 3 424.611 1.504 40 0 HDABHN C[C@@H]1CN(c2nccc([C@@H]3CN(Cc4ccccn4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000019497724 558896348 /nfs/dbraw/zinc/89/63/48/558896348.db2.gz UVWNBTKHBFWNMH-PIKOESSRSA-N 0 3 424.549 1.789 40 0 HDABHN CCN1CCN(C2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)CC1 ZINC000019528128 558909294 /nfs/dbraw/zinc/90/92/94/558909294.db2.gz IGSIKAZBDMOUEI-UHFFFAOYSA-N 0 3 420.941 1.694 40 0 HDABHN COc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019551675 558915618 /nfs/dbraw/zinc/91/56/18/558915618.db2.gz ATHIHEYIMMAPEI-UHFFFAOYSA-N 0 3 400.479 1.225 40 0 HDABHN COc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019551675 558915621 /nfs/dbraw/zinc/91/56/21/558915621.db2.gz ATHIHEYIMMAPEI-UHFFFAOYSA-N 0 3 400.479 1.225 40 0 HDABHN CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C1CCN(C)CC1 ZINC000019660616 558951725 /nfs/dbraw/zinc/95/17/25/558951725.db2.gz CECIVDSXDVUUFR-UHFFFAOYSA-N 0 3 408.568 1.179 40 0 HDABHN Cc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662602 558953665 /nfs/dbraw/zinc/95/36/65/558953665.db2.gz VCDQHLJMLZTWHX-MRXNPFEDSA-N 0 3 407.474 1.150 40 0 HDABHN CN1C(=O)NC2(CCN(C(=O)c3ccc(OCCN4CCCC4)cc3)CC2)C1=O ZINC000019718564 558981871 /nfs/dbraw/zinc/98/18/71/558981871.db2.gz BBSGURQCKVTHSI-UHFFFAOYSA-N 0 3 400.479 1.318 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@]1(CCN(C(=O)c3cccs3)C1)CC2 ZINC000585106809 559029118 /nfs/dbraw/zinc/02/91/18/559029118.db2.gz UOXXNNUIGZHBAV-HXUWFJFHSA-N 0 3 416.551 1.500 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@@]1(CCN(C(=O)c3ccsc3)C1)CC2 ZINC000585106776 559029153 /nfs/dbraw/zinc/02/91/53/559029153.db2.gz GQEAHDFOUTWFGA-FQEVSTJZSA-N 0 3 416.551 1.500 40 0 HDABHN CN(C)CCN(C)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 ZINC000096147427 559098498 /nfs/dbraw/zinc/09/84/98/559098498.db2.gz OVYIBCABEZQGJY-UHFFFAOYSA-N 0 3 417.535 1.420 40 0 HDABHN COCCNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 ZINC000096263251 559106964 /nfs/dbraw/zinc/10/69/64/559106964.db2.gz ATUKVMYEKUZIIV-LJQANCHMSA-N 0 3 414.506 1.544 40 0 HDABHN CC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585283509 559120660 /nfs/dbraw/zinc/12/06/60/559120660.db2.gz RJIWMFXBIWZNEN-HSZRJFAPSA-N 0 3 420.550 1.427 40 0 HDABHN CN(C)C(=O)[C@H]1CN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCN(S(C)(=O)=O)C1 ZINC000585283293 559120697 /nfs/dbraw/zinc/12/06/97/559120697.db2.gz NABFOCOQVMSPJA-ABSDTBQOSA-N 0 3 417.616 1.235 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3C)C2)CC1 ZINC000585285963 559121719 /nfs/dbraw/zinc/12/17/19/559121719.db2.gz FZLGGLQTZXLQJJ-JOCHJYFZSA-N 0 3 422.522 1.421 40 0 HDABHN CN(CCc1ccccn1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585290737 559123430 /nfs/dbraw/zinc/12/34/30/559123430.db2.gz WBYJUYWTGMDZDA-CTNGQTDRSA-N 0 3 403.910 1.386 40 0 HDABHN COCCOc1cc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OC ZINC000257231082 559283882 /nfs/dbraw/zinc/28/38/82/559283882.db2.gz GFDPLMGJASPMGD-IRXDYDNUSA-N 0 3 400.466 1.997 40 0 HDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)C1 ZINC000514288529 560034924 /nfs/dbraw/zinc/03/49/24/560034924.db2.gz BZVWTIUPHNSCNO-RBUKOAKNSA-N 0 3 407.580 1.051 40 0 biogenic,in-vitro HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccccc1 ZINC000017093878 560868528 /nfs/dbraw/zinc/86/85/28/560868528.db2.gz ABNZOLDVCBCWOB-QZTJIDSGSA-N 0 3 424.457 1.444 40 0 HDABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225086421 568613230 /nfs/dbraw/zinc/61/32/30/568613230.db2.gz GXWFGXZDKQRKFP-HOTGVXAUSA-N 0 3 407.536 1.986 40 0 HDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)Cc3ccncc3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257230830 568785224 /nfs/dbraw/zinc/78/52/24/568785224.db2.gz GECJKLNXSJRYAI-SCPDWHHUSA-N 0 3 411.502 1.794 40 0 HDABHN CC(=O)NC1CCN(C[C@]2(O)CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000257242598 568788354 /nfs/dbraw/zinc/78/83/54/568788354.db2.gz IDGUEKVXEIMYQA-FQEVSTJZSA-N 0 3 409.552 1.193 40 0 HDABHN O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2cc(F)c(=O)[n-]c2=O)C1 ZINC000257250792 568790538 /nfs/dbraw/zinc/79/05/38/568790538.db2.gz JOAIXWLBQBINPK-ROUUACIJSA-N 0 3 416.453 1.132 40 0 HDABHN O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 ZINC000257281375 568798925 /nfs/dbraw/zinc/79/89/25/568798925.db2.gz OOWXEYHXNQRYKL-YPAWHYETSA-N 0 3 417.550 1.505 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cccc(C)c4)C2)C3)cs1 ZINC000306125123 568888012 /nfs/dbraw/zinc/88/80/12/568888012.db2.gz CHTAHIYTBBKJAX-QFIPXVFZSA-N 0 3 423.542 1.975 40 0 HDABHN COCCN1CCC2(Cc3nc(=O)c(C(=O)N(C)Cc4ccccn4)cn3C2)CC1 ZINC000306131424 568893752 /nfs/dbraw/zinc/89/37/52/568893752.db2.gz KDZQOECGUCWBGF-UHFFFAOYSA-N 0 3 411.506 1.195 40 0 HDABHN CN1CCn2c(C(=O)NC[C@@H]3CCCO3)nnc2C12CCN(Cc1ccccc1)CC2 ZINC000306133199 568895426 /nfs/dbraw/zinc/89/54/26/568895426.db2.gz MEUKBPAYQYAHCN-IBGZPJMESA-N 0 3 424.549 1.624 40 0 HDABHN Cc1ncsc1CN1CC[C@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306133522 568895648 /nfs/dbraw/zinc/89/56/48/568895648.db2.gz MNVXRFRGQDYCRZ-IBGZPJMESA-N 0 3 415.544 1.827 40 0 HDABHN COCCN1CC[C@@]2(CN(Cc3cnn(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306133955 568896046 /nfs/dbraw/zinc/89/60/46/568896046.db2.gz NAFONLKKVSTRLW-NQIIRXRSSA-N 0 3 400.527 1.662 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccccn4)C2)C3)cc1 ZINC000306139798 568901528 /nfs/dbraw/zinc/90/15/28/568901528.db2.gz UAWKPKDPYUKJJR-QHCPKHFHSA-N 0 3 419.485 1.305 40 0 HDABHN Cn1cc(CN2CCC3(CC2)CN(C)C[C@@H](C(=O)NCc2cccs2)O3)cn1 ZINC000306143754 568905258 /nfs/dbraw/zinc/90/52/58/568905258.db2.gz YLJIQPGYDWTHLE-SFHVURJKSA-N 0 3 403.552 1.463 40 0 HDABHN CN(C)CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C2CC2)n1 ZINC000329018341 568972921 /nfs/dbraw/zinc/97/29/21/568972921.db2.gz NPXBSVXXHVHCOM-UHFFFAOYSA-N 0 3 416.551 1.538 40 0 HDABHN COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000010111528 569342888 /nfs/dbraw/zinc/34/28/88/569342888.db2.gz JTVXDZGVASYNJF-UHFFFAOYSA-N 0 3 421.519 1.577 40 0 HDABHN COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 ZINC000003825965 537041993 /nfs/dbraw/zinc/04/19/93/537041993.db2.gz GKTQBPYMIGXPKG-UHFFFAOYSA-N 0 3 423.517 1.706 40 0 HDABHN CCOc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 ZINC000010111526 557855240 /nfs/dbraw/zinc/85/52/40/557855240.db2.gz QXXWZBWDFWCRFQ-UHFFFAOYSA-N 0 3 405.520 1.958 40 0 HDABHN CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=NN3CCN2CCCCC2)n(C)c1=O ZINC000010330401 557860577 /nfs/dbraw/zinc/86/05/77/557860577.db2.gz QNPXLEKCAOBUNF-OAHLLOKOSA-N 0 3 401.515 1.550 40 0 HDABHN Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@H](C)CN3CCCCC3)c2=O)no1 ZINC000019750208 558270355 /nfs/dbraw/zinc/27/03/55/558270355.db2.gz OEEWNGUMHMLCEU-CQSZACIVSA-N 0 3 401.467 1.388 40 0 HDABHN CN(C)C[C@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1)c1ccccc1 ZINC000019750948 558270957 /nfs/dbraw/zinc/27/09/57/558270957.db2.gz ICBWGRKAYOSJNM-FQEVSTJZSA-N 0 3 410.518 1.894 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccccc1 ZINC000020636872 558396436 /nfs/dbraw/zinc/39/64/36/558396436.db2.gz BVSLFXGIFQRZIU-JKSUJKDBSA-N 0 3 402.451 1.167 40 0 HDABHN CCOC(=O)C1=C([O-])NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674694 558399258 /nfs/dbraw/zinc/39/92/58/558399258.db2.gz SZMXMWDJDHKLMG-HZPDHXFCSA-N 0 3 420.441 1.306 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674694 558399260 /nfs/dbraw/zinc/39/92/60/558399260.db2.gz SZMXMWDJDHKLMG-HZPDHXFCSA-N 0 3 420.441 1.306 40 0 HDABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)cc2)cc1 ZINC000013670049 558561636 /nfs/dbraw/zinc/56/16/36/558561636.db2.gz OFOVOECOOXIWQA-UHFFFAOYSA-N 0 3 405.520 1.877 40 0 HDABHN CCOC(=O)Cn1c(=O)sc(CN2C[C@H]3CCCN3C[C@@H]2CCO)c1Cl ZINC000019530558 558911518 /nfs/dbraw/zinc/91/15/18/558911518.db2.gz JNGRLICJVQRHND-OLZOCXBDSA-N 0 3 403.932 1.157 40 0 HDABHN CS(=O)(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 ZINC000019572390 558930715 /nfs/dbraw/zinc/93/07/15/558930715.db2.gz AVWNRUWFBSYCRZ-QGZVFWFLSA-N 0 3 406.483 1.976 40 0 HDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019583754 558938107 /nfs/dbraw/zinc/93/81/07/558938107.db2.gz SSQOHTDDYLKACW-OAHLLOKOSA-N 0 3 423.583 1.859 40 0 HDABHN CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019583754 558938110 /nfs/dbraw/zinc/93/81/10/558938110.db2.gz SSQOHTDDYLKACW-OAHLLOKOSA-N 0 3 423.583 1.859 40 0 HDABHN CN(C)C(=O)CN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3ccccc3)C[C@H]2C1=O ZINC000072341880 558939999 /nfs/dbraw/zinc/93/99/99/558939999.db2.gz XITVVWPNBSDALV-CYFREDJKSA-N 0 3 420.513 1.742 40 0 HDABHN COc1ccccc1CN1CCC(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000019661183 558952386 /nfs/dbraw/zinc/95/23/86/558952386.db2.gz VKVVWWRKDUMNNU-UHFFFAOYSA-N 0 3 414.506 1.450 40 0 HDABHN O=C(CN1CCCCCC1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380675 558968663 /nfs/dbraw/zinc/96/86/63/558968663.db2.gz LMWZZIKNMPKBTP-KRWDZBQOSA-N 0 3 403.527 1.464 40 0 HDABHN Cc1ccc(OCCN(C)C)c(NC(=O)c2cc(C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000019716354 558978073 /nfs/dbraw/zinc/97/80/73/558978073.db2.gz OACQBFKUXKPLQW-UHFFFAOYSA-N 0 3 411.462 1.431 40 0 HDABHN CC(C)(C)OC(=O)CCOCCN(CCO)CCOCCC(=O)OC(C)(C)C ZINC000083254111 559051784 /nfs/dbraw/zinc/05/17/84/559051784.db2.gz OUIZBEKRHPKXAD-UHFFFAOYSA-N 0 3 405.532 1.778 40 0 HDABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(S(=O)(=O)CC)CC3)C1=O ZINC000096036484 559090366 /nfs/dbraw/zinc/09/03/66/559090366.db2.gz XXIRJRAFEZCCTA-NRFANRHFSA-N 0 3 420.579 1.568 40 0 HDABHN CCS(=O)(=O)N1CCC2(C[C@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096052913 559092802 /nfs/dbraw/zinc/09/28/02/559092802.db2.gz JCSGRJMWNUMLHX-KRWDZBQOSA-N 0 3 407.580 1.925 40 0 HDABHN COCCOc1cc(CN(C)C[C@@]2(O)CCCN(c3cnccn3)C2)ccc1OC ZINC000585269928 559116178 /nfs/dbraw/zinc/11/61/78/559116178.db2.gz QDTODJFORVVILC-QFIPXVFZSA-N 0 3 416.522 1.974 40 0 HDABHN O[C@@]1(CNCc2cccc(CN3CCOCC3)c2)CCN(c2ccc(F)cn2)C1 ZINC000585274315 559118718 /nfs/dbraw/zinc/11/87/18/559118718.db2.gz VFJMHZIOEJAVGJ-JOCHJYFZSA-N 0 3 400.498 1.784 40 0 HDABHN Cc1cccc(OCCNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1C ZINC000585292254 559124710 /nfs/dbraw/zinc/12/47/10/559124710.db2.gz ZKQVYSKRHNZLOI-RTWAWAEBSA-N 0 3 420.531 1.068 40 0 HDABHN CCOCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257205886 559282464 /nfs/dbraw/zinc/28/24/64/559282464.db2.gz BAYVXICKKJNVGG-FUDKSRODSA-N 0 3 403.567 1.628 40 0 HDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257268605 559285027 /nfs/dbraw/zinc/28/50/27/559285027.db2.gz MMJZZQUTIKBAIU-HSZRJFAPSA-N 0 3 411.550 1.772 40 0 HDABHN CCCNC(=O)C[C@H]1C[C@H]2O[C@H](CNCc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1 ZINC000604381963 568489423 /nfs/dbraw/zinc/48/94/23/568489423.db2.gz WUQTWAPYAARLEW-DZLVSBGCSA-N 0 3 416.440 1.997 40 0 biogenic,in-vitro HDABHN Cn1ccc(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)n1 ZINC000257279087 568798337 /nfs/dbraw/zinc/79/83/37/568798337.db2.gz OEZGDRVDDWPHES-HXUWFJFHSA-N 0 3 419.533 1.825 40 0 HDABHN CC(C)(C)C1CCN([C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)CN)CC1 ZINC000257337575 568815393 /nfs/dbraw/zinc/81/53/93/568815393.db2.gz YTJOJRCVJWALBX-QCFAMHMHSA-N 0 3 407.530 1.908 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccsc4)C2)C3)cc1 ZINC000306127787 568890640 /nfs/dbraw/zinc/89/06/40/568890640.db2.gz GHNRGKGNFAIIFH-JOCHJYFZSA-N 0 3 424.526 1.972 40 0 HDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218155496 568926705 /nfs/dbraw/zinc/92/67/05/568926705.db2.gz GCKMDJHWZZIJJL-BJLQDIEVSA-N 0 3 403.456 1.863 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1OC ZINC000224313961 569057070 /nfs/dbraw/zinc/05/70/70/569057070.db2.gz WSUBGIBEWNDRAB-UHFFFAOYSA-N 0 3 407.496 1.071 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O ZINC000019699822 569347111 /nfs/dbraw/zinc/34/71/11/569347111.db2.gz OCHZTKKNYMRJGZ-GOSISDBHSA-N 0 3 416.497 1.766 40 0 HDABHN CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O ZINC000008643636 291193446 /nfs/dbraw/zinc/19/34/46/291193446.db2.gz UDPWHNLLDZULME-YUVXSKOASA-N 0 3 402.466 1.453 40 0 biogenic,in-vitro HDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21)NCc1ccccc1 ZINC000035442272 291199579 /nfs/dbraw/zinc/19/95/79/291199579.db2.gz PKYXYKWAGUYTDL-BDTNDASRSA-N 0 3 406.530 1.814 40 0 biogenic,in-vitro HDABHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 ZINC000035311607 557687398 /nfs/dbraw/zinc/68/73/98/557687398.db2.gz VEOQFIBCJDQLAE-UHFFFAOYSA-N 0 3 415.581 1.576 40 0 HDABHN COc1ccc(-c2n[nH]cc2-c2cncn2CCN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000019719573 558257862 /nfs/dbraw/zinc/25/78/62/558257862.db2.gz LQLFLCJNOAIIRX-OAHLLOKOSA-N 0 3 401.492 1.726 40 0 HDABHN COc1cc2c(cc1-c1cncn1CCN[C@H]1CCS(=O)(=O)C1)OCCCO2 ZINC000019720019 558258749 /nfs/dbraw/zinc/25/87/49/558258749.db2.gz ISEKHMWZHXGWFB-AWEZNQCLSA-N 0 3 407.492 1.497 40 0 HDABHN Cc1cc(NC(=O)Cn2cccc(C(=O)NC[C@@H](C)N3CCCCC3)c2=O)no1 ZINC000019750138 558270368 /nfs/dbraw/zinc/27/03/68/558270368.db2.gz AWXZTGHQQOAMIN-CQSZACIVSA-N 0 3 401.467 1.388 40 0 HDABHN Cc1cc(NC(=O)Cn2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc2=O)no1 ZINC000019750804 558270728 /nfs/dbraw/zinc/27/07/28/558270728.db2.gz SAOADNUCWUZRMD-UHFFFAOYSA-N 0 3 413.478 1.484 40 0 HDABHN CN1CCCC[C@@H]1CNC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O ZINC000019751373 558271244 /nfs/dbraw/zinc/27/12/44/558271244.db2.gz JVYVUTPDKGCNQM-GOSISDBHSA-N 0 3 400.454 1.840 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccccc1 ZINC000020636869 558396419 /nfs/dbraw/zinc/39/64/19/558396419.db2.gz BVSLFXGIFQRZIU-HZPDHXFCSA-N 0 3 402.451 1.167 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccccc1 ZINC000020636875 558396506 /nfs/dbraw/zinc/39/65/06/558396506.db2.gz BVSLFXGIFQRZIU-CVEARBPZSA-N 0 3 402.451 1.167 40 0 HDABHN Cc1ccc(N(CCCC(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1C ZINC000022934940 558526136 /nfs/dbraw/zinc/52/61/36/558526136.db2.gz CKQHHYYXEKETAN-UHFFFAOYSA-N 0 3 424.611 1.603 40 0 HDABHN CCOc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000013672260 558562990 /nfs/dbraw/zinc/56/29/90/558562990.db2.gz HAALKBBJWVVSPD-UHFFFAOYSA-N 0 3 405.520 1.958 40 0 HDABHN N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000019370477 558878520 /nfs/dbraw/zinc/87/85/20/558878520.db2.gz CAHVYFDPDHXJNT-HXUWFJFHSA-N 0 3 405.502 1.667 40 0 HDABHN Cc1cc(C)n(CC(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(=O)n1 ZINC000019572341 558930521 /nfs/dbraw/zinc/93/05/21/558930521.db2.gz QSUSLTIPEMCNAH-UHFFFAOYSA-N 0 3 423.561 1.669 40 0 HDABHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)CC1=O ZINC000019582825 558937667 /nfs/dbraw/zinc/93/76/67/558937667.db2.gz JYCPSIRPEONNSV-MSOLQXFVSA-N 0 3 409.534 1.933 40 0 HDABHN CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C1CCN(C)CC1 ZINC000019665650 558955597 /nfs/dbraw/zinc/95/55/97/558955597.db2.gz WEPDOBSXGLSHLI-NRFANRHFSA-N 0 3 402.495 1.405 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@@]1(CCN(C(=O)c3ccccc3)C1)CC2 ZINC000585106811 559029174 /nfs/dbraw/zinc/02/91/74/559029174.db2.gz ZMDCYMMWOKOVTI-QFIPXVFZSA-N 0 3 410.522 1.438 40 0 HDABHN Cc1nc(C)c(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCC(C(N)=O)CC3)C2)s1 ZINC000585109466 559030460 /nfs/dbraw/zinc/03/04/60/559030460.db2.gz RJNJQZGZUCORLB-KURKYZTESA-N 0 3 420.579 1.711 40 0 HDABHN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056173 559094063 /nfs/dbraw/zinc/09/40/63/559094063.db2.gz RCJDIOYQFUAEQK-REWPJTCUSA-N 0 3 422.533 1.449 40 0 HDABHN O=C(NCCN1CCOCC1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096155921 559099978 /nfs/dbraw/zinc/09/99/78/559099978.db2.gz OVUHGPNKWXEWHQ-UHFFFAOYSA-N 0 3 411.550 1.533 40 0 HDABHN COCCN1CCC2(CC3(CCN(C(=O)c4cccnc4)CC3)N(C)C2=O)CC1 ZINC000096262347 559106364 /nfs/dbraw/zinc/10/63/64/559106364.db2.gz OXFQQUFWCBFFTM-UHFFFAOYSA-N 0 3 400.523 1.647 40 0 HDABHN COCCOc1cc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585271161 559116588 /nfs/dbraw/zinc/11/65/88/559116588.db2.gz SEWVYZVGJWROPL-OAQYLSRUSA-N 0 3 405.470 1.986 40 0 HDABHN CN(C)CCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585273007 559117225 /nfs/dbraw/zinc/11/72/25/559117225.db2.gz OLBGQFJLGZOVMZ-DQEYMECFSA-N 0 3 424.589 1.994 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CC[C@@H]3[C@H](C2)CCCCN3S(C)(=O)=O)CC1 ZINC000585282119 559119944 /nfs/dbraw/zinc/11/99/44/559119944.db2.gz ANMVWRRQDXNLIZ-DLBZAZTESA-N 0 3 417.572 1.106 40 0 HDABHN O=C(c1cccnc1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952846 559124879 /nfs/dbraw/zinc/12/48/79/559124879.db2.gz LINDEMUBVBCGNJ-QHCPKHFHSA-N 0 3 405.502 1.721 40 0 HDABHN O=S(=O)(c1cncc(Br)c1N1CCNCC1)N1CCCCCC1 ZINC000072210891 559168123 /nfs/dbraw/zinc/16/81/23/559168123.db2.gz GNGJQBXZZJPPKK-UHFFFAOYSA-N 0 3 403.346 1.818 40 0 HDABHN COCCOc1cc(CNC[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OC ZINC000257312643 559282882 /nfs/dbraw/zinc/28/28/82/559282882.db2.gz UOXXSZWNJPDWSU-OAQYLSRUSA-N 0 3 402.495 1.550 40 0 HDABHN O=C(CCCc1nc2ccc(F)cc2[nH]1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257248696 568789852 /nfs/dbraw/zinc/78/98/52/568789852.db2.gz JEUUULKZPWGJCO-HGHGUNKESA-N 0 3 404.486 1.755 40 0 HDABHN CNCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257254636 568791501 /nfs/dbraw/zinc/79/15/01/568791501.db2.gz KEBIXQQACYRFGA-SCPDWHHUSA-N 0 3 413.493 1.469 40 0 HDABHN CN1CCn2c(C(=O)NCCc3ccccn3)nnc2C12CCN(CC1CC1)CC2 ZINC000306127191 568890049 /nfs/dbraw/zinc/89/00/49/568890049.db2.gz FRGRHTQOOTUGBB-UHFFFAOYSA-N 0 3 409.538 1.292 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccsc4)C2)C3)cc1 ZINC000306127788 568890788 /nfs/dbraw/zinc/89/07/88/568890788.db2.gz GHNRGKGNFAIIFH-QFIPXVFZSA-N 0 3 424.526 1.972 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccncc4)C2)C3)cc1 ZINC000306128640 568891477 /nfs/dbraw/zinc/89/14/77/568891477.db2.gz HHDWJDLFOQXFBG-QHCPKHFHSA-N 0 3 419.485 1.305 40 0 HDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306133053 568895129 /nfs/dbraw/zinc/89/51/29/568895129.db2.gz MAGLXIXVGYCTFD-QFIPXVFZSA-N 0 3 407.449 1.436 40 0 HDABHN COCCN1CCO[C@]2(CN(Cc3sccc3C)C[C@H]2c2ccnn2C)C1=O ZINC000306134422 568896211 /nfs/dbraw/zinc/89/62/11/568896211.db2.gz NMVGAWQSQUNGIY-JXFKEZNVSA-N 0 3 404.536 1.633 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)cc1F ZINC000306136794 568898674 /nfs/dbraw/zinc/89/86/74/568898674.db2.gz QDLZOQCHTOUDAG-KSSFIOAISA-N 0 3 402.488 1.335 40 0 HDABHN O=C(C1CC1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699442 569346961 /nfs/dbraw/zinc/34/69/61/569346961.db2.gz DDNKNRCTTFRETO-UHFFFAOYSA-N 0 3 410.518 1.974 40 0 HDABHN CC1CCN([C@H]2[C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000030879757 291192223 /nfs/dbraw/zinc/19/22/23/291192223.db2.gz GKYPCSTZILAQQV-VSZNYVQBSA-N 0 3 416.440 1.656 40 0 biogenic,in-vitro HDABHN CN1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc(-c4ccccc4)cc3)[C@@H]2O)CC1 ZINC000022922137 291193855 /nfs/dbraw/zinc/19/38/55/291193855.db2.gz JJJNUBWXHPLUDV-ZSXJVMONSA-N 0 3 409.530 1.544 40 0 biogenic,in-vitro HDABHN CS(=O)(=O)c1ccc(OC[C@@]2(CNCc3cccnc3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107283934 291197774 /nfs/dbraw/zinc/19/77/74/291197774.db2.gz OPSKEJPSPIJIML-PMOLBWCYSA-N 0 3 406.504 1.156 40 0 biogenic,in-vitro HDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21)NCc1ccccc1 ZINC000035442274 291199604 /nfs/dbraw/zinc/19/96/04/291199604.db2.gz ZSVXLDGSUVIKEK-BDTNDASRSA-N 0 3 424.520 1.953 40 0 biogenic,in-vitro HDABHN O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccccn1 ZINC000012483444 291201870 /nfs/dbraw/zinc/20/18/70/291201870.db2.gz ZZUMFDGXCWXAJH-ZSXJVMONSA-N 0 3 409.530 1.979 40 0 biogenic,in-vitro HDABHN CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000005147900 557637864 /nfs/dbraw/zinc/63/78/64/557637864.db2.gz WXDRJKZUYPYYIZ-UHFFFAOYSA-N 0 3 410.522 1.784 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc(C)cc1 ZINC000020674604 558399235 /nfs/dbraw/zinc/39/92/35/558399235.db2.gz DFZGOBGVILKBJM-SJORKVTESA-N 0 3 416.478 1.475 40 0 HDABHN Cc1cc(C)cc(N([C@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022829769 558515110 /nfs/dbraw/zinc/51/51/10/558515110.db2.gz PDRSPRFDBVJMPV-GOSISDBHSA-N 0 3 410.584 1.212 40 0 HDABHN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022933338 558525239 /nfs/dbraw/zinc/52/52/39/558525239.db2.gz JSCMKKYHDHERAJ-SFHVURJKSA-N 0 3 410.584 1.212 40 0 HDABHN C[C@@H]1CN(c2nccc([C@@H]3CN(Cc4ccco4)C[C@H]3C(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000019497725 558896699 /nfs/dbraw/zinc/89/66/99/558896699.db2.gz YQCSGSRTUREASW-PSBWJHGTSA-N 0 3 413.522 1.987 40 0 HDABHN CCCn1nc(C)c(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1C ZINC000019525848 558907243 /nfs/dbraw/zinc/90/72/43/558907243.db2.gz PBJUDGZEFWOMPS-UHFFFAOYSA-N 0 3 400.527 1.843 40 0 HDABHN CCCn1nc(C)c(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1C ZINC000019525848 558907246 /nfs/dbraw/zinc/90/72/46/558907246.db2.gz PBJUDGZEFWOMPS-UHFFFAOYSA-N 0 3 400.527 1.843 40 0 HDABHN Cc1cc(C(=O)NCCN2CC[C@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019662604 558953623 /nfs/dbraw/zinc/95/36/23/558953623.db2.gz VCDQHLJMLZTWHX-INIZCTEOSA-N 0 3 407.474 1.150 40 0 HDABHN CCN(CC)CC(=O)N1CCC(c2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 ZINC000019697341 558964910 /nfs/dbraw/zinc/96/49/10/558964910.db2.gz WBDODTVQOKQLLA-QGZVFWFLSA-N 0 3 416.570 1.536 40 0 HDABHN CCn1cc(CN2C[C@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cn1 ZINC000585101945 559025106 /nfs/dbraw/zinc/02/51/06/559025106.db2.gz KLZSCJXNHYNNOG-QGZVFWFLSA-N 0 3 402.499 1.182 40 0 HDABHN Cn1cncc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCC3(CCOC3)CC2)C1 ZINC000585109400 559030400 /nfs/dbraw/zinc/03/04/00/559030400.db2.gz NBKOXTQNRUDYRY-RLLQIKCJSA-N 0 3 402.539 1.676 40 0 HDABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)c3cnn(-c4ccccc4)c3)C2)C1 ZINC000096076359 559094567 /nfs/dbraw/zinc/09/45/67/559094567.db2.gz CUGHQDIWKSXLJF-HSZRJFAPSA-N 0 3 411.550 1.989 40 0 HDABHN CC(C)CCN1Cc2c(C(=O)NCCN(C)C)ncn2-c2ccccc2S1(=O)=O ZINC000096147514 559098562 /nfs/dbraw/zinc/09/85/62/559098562.db2.gz FNUZGKZGTFJTNU-UHFFFAOYSA-N 0 3 419.551 1.714 40 0 HDABHN CN(C)C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251462 559105416 /nfs/dbraw/zinc/10/54/16/559105416.db2.gz JAGXPOHGNBEINJ-NQIIRXRSSA-N 0 3 402.543 1.142 40 0 HDABHN COCCOc1cc(CN(C)C[C@]2(O)CCCN(c3cnccn3)C2)ccc1OC ZINC000585269926 559116066 /nfs/dbraw/zinc/11/60/66/559116066.db2.gz QDTODJFORVVILC-JOCHJYFZSA-N 0 3 416.522 1.974 40 0 HDABHN OCCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585270358 559116313 /nfs/dbraw/zinc/11/63/13/559116313.db2.gz VJPJINALOJTBJF-ZEQRLZLVSA-N 0 3 411.546 1.815 40 0 HDABHN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585281577 559119389 /nfs/dbraw/zinc/11/93/89/559119389.db2.gz LGPNMJPNPUTVLA-JOCHJYFZSA-N 0 3 403.523 1.280 40 0 HDABHN COCCN1C(=O)CO[C@H]2CN([C@H]3CCC[C@@H](Oc4ccc(Cl)cc4)[C@@H]3O)C[C@@H]21 ZINC000585289282 559122411 /nfs/dbraw/zinc/12/24/11/559122411.db2.gz PEBRXIUKDRNUJQ-ZFORQUDYSA-N 0 3 424.925 1.559 40 0 HDABHN CN(CCCc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585289876 559122498 /nfs/dbraw/zinc/12/24/98/559122498.db2.gz LSVZEGWIBTVTEY-RTWAWAEBSA-N 0 3 404.532 1.348 40 0 HDABHN O=C(c1ccnnc1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097954327 559125079 /nfs/dbraw/zinc/12/50/79/559125079.db2.gz KZOHRCADRJHELN-JOCHJYFZSA-N 0 3 406.490 1.116 40 0 HDABHN CCOCCOc1ccc(CNC[C@]2(O)CCN(c3cc(N(C)C)ncn3)C2)cc1 ZINC000257286769 559285505 /nfs/dbraw/zinc/28/55/05/559285505.db2.gz PMZJJIPVTDSPCJ-JOCHJYFZSA-N 0 3 415.538 1.689 40 0 HDABHN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCOCC3)CCN21 ZINC000514290348 560029785 /nfs/dbraw/zinc/02/97/85/560029785.db2.gz XQFRUNIFZDFGSN-FPOVZHCZSA-N 0 3 407.942 1.712 40 0 biogenic,in-vitro HDABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000004133580 560600608 /nfs/dbraw/zinc/60/06/08/560600608.db2.gz WXPSFKJKYGDNLP-SFHVURJKSA-N 0 3 418.563 1.954 40 0 HDABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCN3CCOCC3)o2)c1 ZINC000022108570 568475328 /nfs/dbraw/zinc/47/53/28/568475328.db2.gz WLCSDFQUOHTMLV-UHFFFAOYSA-N 0 3 402.447 1.942 40 0 HDABHN COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(C4CCN(C)CC4)C3)C2)cc1 ZINC000604381902 568489224 /nfs/dbraw/zinc/48/92/24/568489224.db2.gz UQRIIZXVSCAXRQ-HXUWFJFHSA-N 0 3 414.550 1.000 40 0 biogenic,in-vitro HDABHN C[C@@]1(C(=O)N2CCOCC2)CCCN(CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257272414 568796331 /nfs/dbraw/zinc/79/63/31/568796331.db2.gz NCIFWXQSLGTQGY-JOCHJYFZSA-N 0 3 413.522 1.183 40 0 HDABHN CN(C)CCOc1cccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)c1 ZINC000257324472 568811635 /nfs/dbraw/zinc/81/16/35/568811635.db2.gz WOUQOUXMNFMOGC-JOCHJYFZSA-N 0 3 413.522 1.521 40 0 HDABHN Cc1cccc(CN2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)n1 ZINC000306127763 568890761 /nfs/dbraw/zinc/89/07/61/568890761.db2.gz GGWBTSRDTVJCRW-NRFANRHFSA-N 0 3 409.515 1.766 40 0 HDABHN CCn1cc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306139345 568901130 /nfs/dbraw/zinc/90/11/30/568901130.db2.gz SUZGZRHPDFOQJJ-MOPGFXCFSA-N 0 3 405.506 1.729 40 0 HDABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306139346 568901140 /nfs/dbraw/zinc/90/11/40/568901140.db2.gz SUZGZRHPDFOQJJ-OALUTQOASA-N 0 3 405.506 1.729 40 0 HDABHN Cn1cc(CN2CCC3(CC2)CN(C)C[C@H](C(=O)NCc2cccs2)O3)cn1 ZINC000306143753 568905131 /nfs/dbraw/zinc/90/51/31/568905131.db2.gz YLJIQPGYDWTHLE-GOSISDBHSA-N 0 3 403.552 1.463 40 0 HDABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218155408 568926789 /nfs/dbraw/zinc/92/67/89/568926789.db2.gz GCKMDJHWZZIJJL-WSTZPKSXSA-N 0 3 403.456 1.863 40 0 HDABHN COC(=O)c1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1OC ZINC000329024004 568973326 /nfs/dbraw/zinc/97/33/26/568973326.db2.gz OXZCOZBDWFVEFC-UHFFFAOYSA-N 0 3 413.400 1.852 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O ZINC000019699565 569347009 /nfs/dbraw/zinc/34/70/09/569347009.db2.gz YFYCFLAZMLFPIR-UHFFFAOYSA-N 0 3 420.535 1.246 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O ZINC000019699812 569347077 /nfs/dbraw/zinc/34/70/77/569347077.db2.gz RDZWAQKQUQQTAX-GOSISDBHSA-N 0 3 416.497 1.766 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)C2=O ZINC000019699825 569347102 /nfs/dbraw/zinc/34/71/02/569347102.db2.gz BOXMINUPAXKMLV-INIZCTEOSA-N 0 3 420.535 1.246 40 0 HDABHN COC[C@H]1CCC[N@@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000067870904 291195571 /nfs/dbraw/zinc/19/55/71/291195571.db2.gz CLXIEIBPRXNULG-WNRNVDISSA-N 0 3 413.609 1.848 40 0 biogenic,in-vitro HDABHN COC[C@H]1CCC[N@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000067870904 291195572 /nfs/dbraw/zinc/19/55/72/291195572.db2.gz CLXIEIBPRXNULG-WNRNVDISSA-N 0 3 413.609 1.848 40 0 biogenic,in-vitro HDABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 ZINC000008298850 291195578 /nfs/dbraw/zinc/19/55/78/291195578.db2.gz POHJWGNNAOXJQO-JQHSSLGASA-N 0 3 413.478 1.180 40 0 biogenic,in-vitro HDABHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C(=O)N2CCN(C)CC2)CC(=O)N(C)C1 ZINC000225406350 291199120 /nfs/dbraw/zinc/19/91/20/291199120.db2.gz WBSWSNQNPYLBCI-QZTJIDSGSA-N 0 3 405.543 1.172 40 0 biogenic,in-vitro HDABHN O=C([C@H]1O[C@H](CCN2CCN(Cc3ccccc3)CC2)CC[C@@H]1O)N1CCCC1 ZINC000030879223 291200918 /nfs/dbraw/zinc/20/09/18/291200918.db2.gz HWNAFMSCIMFIMG-FKBYEOEOSA-N 0 3 401.551 1.725 40 0 biogenic,in-vitro HDABHN CCOc1cc2c(NCCCN(CCO)CCO)ncnc2c(OCC)c1OCC ZINC000005648436 557666316 /nfs/dbraw/zinc/66/63/16/557666316.db2.gz MMZXVKQSUKESED-UHFFFAOYSA-N 0 3 422.526 1.915 40 0 HDABHN CN1CCCC[C@H]1CNC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O ZINC000019751371 558271235 /nfs/dbraw/zinc/27/12/35/558271235.db2.gz SCKRDHVCRXTJEA-IBGZPJMESA-N 0 3 414.481 1.518 40 0 HDABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000012366194 558388334 /nfs/dbraw/zinc/38/83/34/558388334.db2.gz WGQMVBMXXAFUJO-QGZVFWFLSA-N 0 3 403.504 1.228 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccccc1 ZINC000020636878 558396332 /nfs/dbraw/zinc/39/63/32/558396332.db2.gz BVSLFXGIFQRZIU-HOTGVXAUSA-N 0 3 402.451 1.167 40 0 HDABHN Cc1ccc(C2(CN3CCC(NC(=O)CN4C(=O)NC(C)(C)C4=O)CC3)CC2)cc1 ZINC000019208368 558847620 /nfs/dbraw/zinc/84/76/20/558847620.db2.gz UVKYNGFRKYGFOS-UHFFFAOYSA-N 0 3 412.534 1.938 40 0 HDABHN COc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1O ZINC000019559731 558920898 /nfs/dbraw/zinc/92/08/98/558920898.db2.gz CQMPRCZNPCZMLR-INIZCTEOSA-N 0 3 400.479 1.700 40 0 HDABHN COc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1O ZINC000019559731 558920900 /nfs/dbraw/zinc/92/09/00/558920900.db2.gz CQMPRCZNPCZMLR-INIZCTEOSA-N 0 3 400.479 1.700 40 0 HDABHN COCc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019594363 558945437 /nfs/dbraw/zinc/94/54/37/558945437.db2.gz ZOJFJXTWBBTYTK-UHFFFAOYSA-N 0 3 414.506 1.362 40 0 HDABHN COCc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019594363 558945438 /nfs/dbraw/zinc/94/54/38/558945438.db2.gz ZOJFJXTWBBTYTK-UHFFFAOYSA-N 0 3 414.506 1.362 40 0 HDABHN CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(CC)c2)C1)C1CCN(C)CC1 ZINC000019665194 558955460 /nfs/dbraw/zinc/95/54/60/558955460.db2.gz XMQUKAMPERMQMD-INIZCTEOSA-N 0 3 411.572 1.246 40 0 HDABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103389 559026696 /nfs/dbraw/zinc/02/66/96/559026696.db2.gz GCUGFFVTGUQZRY-NHCUHLMSSA-N 0 3 401.551 1.759 40 0 HDABHN COCCN1C[C@@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104539 559027004 /nfs/dbraw/zinc/02/70/04/559027004.db2.gz PVHLCSVJHMGRGA-FQEVSTJZSA-N 0 3 402.520 1.902 40 0 HDABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](CN4CC[C@H](O)C4)C3)CC2)c1 ZINC000585104853 559027287 /nfs/dbraw/zinc/02/72/87/559027287.db2.gz UKQXIUUAODMHPB-PXNSSMCTSA-N 0 3 404.507 1.782 40 0 HDABHN O=C(NC[C@@H]1CCCO1)[C@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096243769 559104886 /nfs/dbraw/zinc/10/48/86/559104886.db2.gz UVNKJWBQPHCJQC-RBUKOAKNSA-N 0 3 411.506 1.463 40 0 HDABHN CN1CCN(C(=O)c2ccc3nnc([C@@H]4CCN(Cc5cccnc5)C4)n3c2)CC1 ZINC000096267562 559108241 /nfs/dbraw/zinc/10/82/41/559108241.db2.gz ICGMTGLHLZAYIZ-GOSISDBHSA-N 0 3 405.506 1.501 40 0 HDABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585282006 559119730 /nfs/dbraw/zinc/11/97/30/559119730.db2.gz FKGCLFCFQOVJTG-ICSRJNTNSA-N 0 3 414.449 1.762 40 0 HDABHN COc1cc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc(OC)c1 ZINC000585284247 559121026 /nfs/dbraw/zinc/12/10/26/559121026.db2.gz JBQZTLFJUZPYMD-GMAHTHKFSA-N 0 3 414.502 1.360 40 0 HDABHN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585287880 559123203 /nfs/dbraw/zinc/12/32/03/559123203.db2.gz UITFUJXTBHHZRR-QHCPKHFHSA-N 0 3 417.550 1.588 40 0 HDABHN CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCN(C)C)cn21 ZINC000107189578 559164891 /nfs/dbraw/zinc/16/48/91/559164891.db2.gz HTENONYHOXBRFT-IBGZPJMESA-N 0 3 413.570 1.498 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccncn3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257335042 559283291 /nfs/dbraw/zinc/28/32/91/559283291.db2.gz YILZQGQAOCPQKZ-FIXSFTCYSA-N 0 3 423.561 1.695 40 0 HDABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000257242275 559284267 /nfs/dbraw/zinc/28/42/67/559284267.db2.gz IBTRJHUJTXQIQF-JOCHJYFZSA-N 0 3 416.522 1.328 40 0 HDABHN CCOc1cc(CNCCN2CCOCC2)cc(Br)c1OCC(N)=O ZINC000022075600 568473951 /nfs/dbraw/zinc/47/39/51/568473951.db2.gz TUINJYJVGWQIDN-UHFFFAOYSA-N 0 3 416.316 1.134 40 0 HDABHN CN1CCC(N2CC3(C2)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2COCCN23)CC1 ZINC000604381893 568489297 /nfs/dbraw/zinc/48/92/97/568489297.db2.gz UBGIADGYXBXWBY-HXUWFJFHSA-N 0 3 418.969 1.645 40 0 biogenic,in-vitro HDABHN C[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022829833 568499822 /nfs/dbraw/zinc/49/98/22/568499822.db2.gz QHMJBMMQAALIAA-HNNXBMFYSA-N 0 3 416.975 1.248 40 0 HDABHN CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000224835490 568599386 /nfs/dbraw/zinc/59/93/86/568599386.db2.gz MMBDSDSBIABFFZ-HXUWFJFHSA-N 0 3 422.595 1.807 40 0 HDABHN CC(=O)NC1CCN(C[C@@]2(O)CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000257242599 568788330 /nfs/dbraw/zinc/78/83/30/568788330.db2.gz IDGUEKVXEIMYQA-HXUWFJFHSA-N 0 3 409.552 1.193 40 0 HDABHN COc1ccc(-n2nccc2-c2nc(C(=O)NCCN(C)C)c3cnccn32)cc1 ZINC000306125585 568888418 /nfs/dbraw/zinc/88/84/18/568888418.db2.gz CUXNLQNLBNQYKM-UHFFFAOYSA-N 0 3 405.462 1.882 40 0 HDABHN O=C(NCc1ccncc1)c1nnc2n1CC1(CCN(Cc3cccnc3)CC1)OC2 ZINC000306126417 568889390 /nfs/dbraw/zinc/88/93/90/568889390.db2.gz DUYOSFFWQFWKRV-UHFFFAOYSA-N 0 3 419.489 1.563 40 0 HDABHN CS(=O)(=O)N[C@H]1CCN(C(=O)CC2CC2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306128100 568891018 /nfs/dbraw/zinc/89/10/18/568891018.db2.gz GQDGSHSPUNCYLH-FPOVZHCZSA-N 0 3 405.564 1.829 40 0 HDABHN COc1ccc(CN2C[C@@H]3c4nn(Cc5ccc(C)cc5)c(=O)c(=O)n4C[C@@H]3C2)cc1 ZINC000306139966 568901891 /nfs/dbraw/zinc/90/18/91/568901891.db2.gz UFNYHSJPKOBJNO-FPOVZHCZSA-N 0 3 418.497 2.000 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3F)CC1)C2=O ZINC000019699557 569347018 /nfs/dbraw/zinc/34/70/18/569347018.db2.gz XMXLXDBCROXVLP-UHFFFAOYSA-N 0 3 416.497 1.766 40 0 HDABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 ZINC000019709553 569348029 /nfs/dbraw/zinc/34/80/29/569348029.db2.gz UQYIXIOSBBMBST-QGZVFWFLSA-N 0 3 403.552 1.971 40 0 HDABHN CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCCN2)n1 ZINC000019760005 569348896 /nfs/dbraw/zinc/34/88/96/569348896.db2.gz SAWZVWOXSBNENL-OAHLLOKOSA-N 0 3 419.507 1.535 40 0 HDABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)CC1 ZINC000015673978 291193738 /nfs/dbraw/zinc/19/37/38/291193738.db2.gz MWIXPQBJNMKWMO-WBVHZDCISA-N 0 3 424.498 1.385 40 0 biogenic,in-vitro HDABHN COc1cc(NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC(C)C)cc2ccccc21 ZINC000002561064 557356606 /nfs/dbraw/zinc/35/66/06/557356606.db2.gz UWBLVTOZNPEUFV-KRWDZBQOSA-N 0 3 400.479 1.393 40 0 HDABHN COc1cccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(CCN(C)C)C(=O)[C@H]54)[C@@H]23)c1OC ZINC000008995700 557818005 /nfs/dbraw/zinc/81/80/05/557818005.db2.gz PDGGZHFADDVANG-BEPZEHGKSA-N 0 3 413.474 1.235 40 0 HDABHN CN1CCCC[C@H]1CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1 ZINC000019750886 558270736 /nfs/dbraw/zinc/27/07/36/558270736.db2.gz CPJPVQNREVNYGS-IBGZPJMESA-N 0 3 414.481 1.518 40 0 HDABHN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000022829766 558515012 /nfs/dbraw/zinc/51/50/12/558515012.db2.gz PDRSPRFDBVJMPV-SFHVURJKSA-N 0 3 410.584 1.212 40 0 HDABHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000019370475 558878714 /nfs/dbraw/zinc/87/87/14/558878714.db2.gz CAHVYFDPDHXJNT-FQEVSTJZSA-N 0 3 405.502 1.667 40 0 HDABHN O=c1c2ccccc2ncn1CC1(O)CCN(Cc2ccc(OCCO)cc2)CC1 ZINC000019375931 558882171 /nfs/dbraw/zinc/88/21/71/558882171.db2.gz IUIVCDZGFRPCHY-UHFFFAOYSA-N 0 3 409.486 1.795 40 0 HDABHN COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1O ZINC000019550060 558914893 /nfs/dbraw/zinc/91/48/93/558914893.db2.gz LHFIOAXBEUXHOO-MRXNPFEDSA-N 0 3 400.479 1.700 40 0 HDABHN COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)ccc1O ZINC000019550060 558914895 /nfs/dbraw/zinc/91/48/95/558914895.db2.gz LHFIOAXBEUXHOO-MRXNPFEDSA-N 0 3 400.479 1.700 40 0 HDABHN COc1cccc([C@@H]2CN(C(=O)CN(C)CCN(C)C)C[C@H]2c2csnn2)c1 ZINC000019582471 558937385 /nfs/dbraw/zinc/93/73/85/558937385.db2.gz KOYIQHWSANLOPP-ZWKOTPCHSA-N 0 3 403.552 1.750 40 0 HDABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](O)C4)C3)CC2)c1 ZINC000585104855 559027323 /nfs/dbraw/zinc/02/73/23/559027323.db2.gz UKQXIUUAODMHPB-YLJYHZDGSA-N 0 3 404.507 1.782 40 0 HDABHN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056161 559094162 /nfs/dbraw/zinc/09/41/62/559094162.db2.gz LMEUHUUHQMHRMW-AVRDEDQJSA-N 0 3 411.506 1.647 40 0 HDABHN CC(C)CN1Cc2c(C(=O)N(C)CCN(C)C)ncn2-c2ccccc2S1(=O)=O ZINC000096147381 559098357 /nfs/dbraw/zinc/09/83/57/559098357.db2.gz FNTVPDBTQUVJIH-UHFFFAOYSA-N 0 3 419.551 1.666 40 0 HDABHN CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCN(C)C)cn21 ZINC000096156790 559100685 /nfs/dbraw/zinc/10/06/85/559100685.db2.gz HTENONYHOXBRFT-LJQANCHMSA-N 0 3 413.570 1.498 40 0 HDABHN CNC(=O)CN1CC2(CCN(CC3CC3)CC2)COc2ccccc2S1(=O)=O ZINC000096263576 559107241 /nfs/dbraw/zinc/10/72/41/559107241.db2.gz IMXXZXAHKZNJBJ-UHFFFAOYSA-N 0 3 407.536 1.308 40 0 HDABHN CC(C)n1cnc2c1[C@H](C(=O)NCCN1CCCC1)N(C(=O)c1cccnc1)CC2 ZINC000096265073 559107618 /nfs/dbraw/zinc/10/76/18/559107618.db2.gz RKDPUDLONODXAY-HXUWFJFHSA-N 0 3 410.522 1.811 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585282759 559120130 /nfs/dbraw/zinc/12/01/30/559120130.db2.gz NRFDKASIONKDEK-OAQYLSRUSA-N 0 3 408.495 1.112 40 0 HDABHN CCOC(=O)N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585282757 559120139 /nfs/dbraw/zinc/12/01/39/559120139.db2.gz NRFDKASIONKDEK-NRFANRHFSA-N 0 3 408.495 1.112 40 0 HDABHN CN(C)C(=O)[C@@H]1CN(C[C@@]2(O)CC[C@H](C(C)(C)C)CC2)CCN(S(C)(=O)=O)C1 ZINC000585283299 559120620 /nfs/dbraw/zinc/12/06/20/559120620.db2.gz NABFOCOQVMSPJA-HLIPFELVSA-N 0 3 417.616 1.235 40 0 HDABHN COc1ccc(CNC[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc1OC ZINC000585290281 559122814 /nfs/dbraw/zinc/12/28/14/559122814.db2.gz QENVZWFIUWXVCL-IRLDBZIGSA-N 0 3 400.475 1.432 40 0 HDABHN CC(C)Oc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1 ZINC000585290768 559123411 /nfs/dbraw/zinc/12/34/11/559123411.db2.gz DVMZCWGLNIHGEY-RTWAWAEBSA-N 0 3 420.531 1.360 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3cnccn3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257265430 559284952 /nfs/dbraw/zinc/28/49/52/559284952.db2.gz LYPURFSWNGWUHG-FIXSFTCYSA-N 0 3 423.561 1.695 40 0 HDABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCOC)cc2c1 ZINC000004133600 560600677 /nfs/dbraw/zinc/60/06/77/560600677.db2.gz BYFASORITIRDEZ-UHFFFAOYSA-N 0 3 406.552 1.811 40 0 HDABHN CN1CCC(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 ZINC000222751651 568525578 /nfs/dbraw/zinc/52/55/78/568525578.db2.gz JNMHMXWDUPHUIO-INIZCTEOSA-N 0 3 401.916 1.468 40 0 HDABHN CN(C)CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257206045 568777991 /nfs/dbraw/zinc/77/79/91/568777991.db2.gz BBPISJDACFNHGZ-FUDKSRODSA-N 0 3 402.583 1.153 40 0 HDABHN CCN(CC)CC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 ZINC000257270309 568795825 /nfs/dbraw/zinc/79/58/25/568795825.db2.gz MTQMSVWLSBIUKV-SFHVURJKSA-N 0 3 424.549 1.966 40 0 HDABHN COCCN1CC[C@]2(CCn3cc(C(=O)NCc4cccc(Cl)c4)c(=O)nc32)C1 ZINC000306132264 568894467 /nfs/dbraw/zinc/89/44/67/568894467.db2.gz LDDIIXSRZGZJJZ-NRFANRHFSA-N 0 3 416.909 1.820 40 0 HDABHN Cn1cc(CN2Cc3cnc(N4CCOCC4)nc3[C@]3(CCN(CC4CC4)C3)C2)cn1 ZINC000306133446 568895608 /nfs/dbraw/zinc/89/56/08/568895608.db2.gz MLQGYGSRLOUDEW-QHCPKHFHSA-N 0 3 423.565 1.416 40 0 HDABHN COCCN1CC[C@]2(CN(Cc3cnn(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306133954 568896053 /nfs/dbraw/zinc/89/60/53/568896053.db2.gz NAFONLKKVSTRLW-GHTZIAJQSA-N 0 3 400.527 1.662 40 0 HDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CCN(Cc3cccnc3)C1)C2 ZINC000306136046 568898016 /nfs/dbraw/zinc/89/80/16/568898016.db2.gz PHIRCTXZCFFFSC-QFIPXVFZSA-N 0 3 407.449 1.436 40 0 HDABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000019590227 569345745 /nfs/dbraw/zinc/34/57/45/569345745.db2.gz QJEWPPIFDZATIQ-OXQOHEQNSA-N 0 3 408.502 1.778 40 0 HDABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000019590227 569345746 /nfs/dbraw/zinc/34/57/46/569345746.db2.gz QJEWPPIFDZATIQ-OXQOHEQNSA-N 0 3 408.502 1.778 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O ZINC000019699897 569347104 /nfs/dbraw/zinc/34/71/04/569347104.db2.gz LNVZBXPWFJOVCU-KRWDZBQOSA-N 0 3 414.506 1.706 40 0 HDABHN COCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699866 569347106 /nfs/dbraw/zinc/34/71/06/569347106.db2.gz NONHTSZRHPCCEC-GOSISDBHSA-N 0 3 414.506 1.210 40 0 HDABHN CN(C)CCNC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(Cl)cc3)S[C@@H]21 ZINC000008643788 291193075 /nfs/dbraw/zinc/19/30/75/291193075.db2.gz GOPIQDONJBIVCI-XFIYOXNOSA-N 0 3 412.943 1.011 40 0 biogenic,in-vitro HDABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(S(C)(=O)=O)cc3)c[nH]2)CC1 ZINC000067898818 291193415 /nfs/dbraw/zinc/19/34/15/291193415.db2.gz GACVLGYNPUGNQP-IBGZPJMESA-N 0 3 404.536 1.948 40 0 biogenic,in-vitro HDABHN Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@@H](C)CN3CCCCC3)c2=O)no1 ZINC000019750206 558270324 /nfs/dbraw/zinc/27/03/24/558270324.db2.gz OEEWNGUMHMLCEU-AWEZNQCLSA-N 0 3 401.467 1.388 40 0 HDABHN CN1CCC[C@@H](CNC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019751272 558271281 /nfs/dbraw/zinc/27/12/81/558271281.db2.gz SLHGFZIQAHZYPC-KRWDZBQOSA-N 0 3 414.481 1.375 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801593 558415295 /nfs/dbraw/zinc/41/52/95/558415295.db2.gz XDUORVAPLBIMFT-QZTJIDSGSA-N 0 3 422.489 1.313 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801596 558415353 /nfs/dbraw/zinc/41/53/53/558415353.db2.gz XDUORVAPLBIMFT-ZWKOTPCHSA-N 0 3 422.489 1.313 40 0 HDABHN NC(=O)COc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019341190 558871743 /nfs/dbraw/zinc/87/17/43/558871743.db2.gz JLTVRPNIVZEOJI-UHFFFAOYSA-N 0 3 405.458 1.297 40 0 HDABHN NC(=O)COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019341190 558871745 /nfs/dbraw/zinc/87/17/45/558871745.db2.gz JLTVRPNIVZEOJI-UHFFFAOYSA-N 0 3 405.458 1.297 40 0 HDABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1c(C)cc(C)n(C)c1=O)C2 ZINC000019710922 558973252 /nfs/dbraw/zinc/97/32/52/558973252.db2.gz PPCIWFGTLWJCOR-UHFFFAOYSA-N 0 3 424.549 1.842 40 0 HDABHN CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O ZINC000585107383 559027843 /nfs/dbraw/zinc/02/78/43/559027843.db2.gz UKCXSCFIHIRQDC-ZJSXRUAMSA-N 0 3 422.529 1.409 40 0 HDABHN O=C(c1cnccn1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096062599 559094263 /nfs/dbraw/zinc/09/42/63/559094263.db2.gz ITNGDWSWMVUZMB-JOCHJYFZSA-N 0 3 406.490 1.116 40 0 HDABHN CC(=O)N1CCN(CC2(O)CCOCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282626 559120187 /nfs/dbraw/zinc/12/01/87/559120187.db2.gz LUECJWIDWKSAQI-QFIPXVFZSA-N 0 3 406.523 1.119 40 0 HDABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN(CCO)Cc2ccccc2)C1 ZINC000585283620 559120610 /nfs/dbraw/zinc/12/06/10/559120610.db2.gz FOVYECAMGYBFLW-LADGPHEKSA-N 0 3 412.530 1.438 40 0 HDABHN COc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)cc1 ZINC000585290339 559122949 /nfs/dbraw/zinc/12/29/49/559122949.db2.gz AMGVBNMTBBQHJZ-CTNGQTDRSA-N 0 3 404.894 1.615 40 0 HDABHN Cn1cccc1C(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952844 559124971 /nfs/dbraw/zinc/12/49/71/559124971.db2.gz DPDQTEPVFQJAIT-QHCPKHFHSA-N 0 3 407.518 1.665 40 0 HDABHN O=C(CN1CCCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257205905 559282470 /nfs/dbraw/zinc/28/24/70/559282470.db2.gz BBAMASVTOGNCKP-WPFOTENUSA-N 0 3 415.578 1.772 40 0 HDABHN COCCOc1cc(CNC[C@]2(O)CCCN(c3ncccn3)C2)ccc1OC ZINC000257262833 559284835 /nfs/dbraw/zinc/28/48/35/559284835.db2.gz LNCDCRKAVBRFEZ-OAQYLSRUSA-N 0 3 402.495 1.632 40 0 HDABHN COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(C4CCN(C)CC4)C3)C2)c1 ZINC000604382171 568489383 /nfs/dbraw/zinc/48/93/83/568489383.db2.gz IOWNNOXXZRKFOB-HXUWFJFHSA-N 0 3 414.550 1.000 40 0 biogenic,in-vitro HDABHN C[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022829780 568499887 /nfs/dbraw/zinc/49/98/87/568499887.db2.gz DHCLIBQMSFVMPA-OAHLLOKOSA-N 0 3 416.975 1.248 40 0 HDABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1N1C(=O)CCC1=O ZINC000224934120 568604772 /nfs/dbraw/zinc/60/47/72/568604772.db2.gz FFNOUINWOAOCCA-UHFFFAOYSA-N 0 3 423.535 1.893 40 0 HDABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225086380 568613203 /nfs/dbraw/zinc/61/32/03/568613203.db2.gz GXWFGXZDKQRKFP-IYBDPMFKSA-N 0 3 407.536 1.986 40 0 HDABHN CN(C)CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cn1 ZINC000225927435 568686717 /nfs/dbraw/zinc/68/67/17/568686717.db2.gz LJDYGVIJFPNGRB-UHFFFAOYSA-N 0 3 402.495 1.380 40 0 HDABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCN(C)C)cc3)C2)ncn1 ZINC000257219742 568781822 /nfs/dbraw/zinc/78/18/22/568781822.db2.gz DHZLBYBSVHEMSB-QFIPXVFZSA-N 0 3 413.522 1.439 40 0 HDABHN CC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C ZINC000257283084 568799259 /nfs/dbraw/zinc/79/92/59/568799259.db2.gz OWSAHIUIMDBVPC-SHQCPXRQSA-N 0 3 414.550 1.337 40 0 HDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cnn(C)c3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257318759 568809984 /nfs/dbraw/zinc/80/99/84/568809984.db2.gz VPFUGVCILYQWMY-ZRNYENFQSA-N 0 3 400.479 1.204 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4cccs4)C2)C3)cs1 ZINC000306141720 568903293 /nfs/dbraw/zinc/90/32/93/568903293.db2.gz WEQCQEBDALHIEQ-LJQANCHMSA-N 0 3 415.544 1.728 40 0 HDABHN O=C(CCN1CCOC1=O)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306144315 568905660 /nfs/dbraw/zinc/90/56/60/568905660.db2.gz ZCDYQQZGRSRNCO-NQIIRXRSSA-N 0 3 402.495 1.554 40 0 HDABHN Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000329035322 568973951 /nfs/dbraw/zinc/97/39/51/568973951.db2.gz RDMMBRDRWORURQ-QGZVFWFLSA-N 0 3 405.524 1.424 40 0 HDABHN CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O ZINC000019699492 569347048 /nfs/dbraw/zinc/34/70/48/569347048.db2.gz MWRPQVFRORNMDP-UHFFFAOYSA-N 0 3 402.470 1.375 40 0 HDABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1 ZINC000008635640 291195015 /nfs/dbraw/zinc/19/50/15/291195015.db2.gz PXYDWAKECVDFSM-BBTUJRGHSA-N 0 3 404.530 1.421 40 0 biogenic,in-vitro HDABHN O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1)N1CCOCC1 ZINC000008298044 291200912 /nfs/dbraw/zinc/20/09/12/291200912.db2.gz PDJZRYVYSOHMMM-QFUCXCTJSA-N 0 3 411.506 1.426 40 0 biogenic,in-vitro HDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3cccc(Cl)c3)CN21)N1CCCC1 ZINC000035442256 291201222 /nfs/dbraw/zinc/20/12/22/291201222.db2.gz QNEFCPSEGIUDLN-OTWHNJEPSA-N 0 3 404.942 1.774 40 0 biogenic,in-vitro HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674598 558399211 /nfs/dbraw/zinc/39/92/11/558399211.db2.gz DFZGOBGVILKBJM-IAGOWNOFSA-N 0 3 416.478 1.475 40 0 HDABHN Cc1cc(Cl)ccc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022933439 558525182 /nfs/dbraw/zinc/52/51/82/558525182.db2.gz UPTXEFSEFFJGJE-UHFFFAOYSA-N 0 3 416.975 1.168 40 0 HDABHN CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000013587959 558545903 /nfs/dbraw/zinc/54/59/03/558545903.db2.gz PNTVCCRNJOGKGA-QFIPXVFZSA-N 0 3 422.529 1.971 40 0 investigational HDABHN O=C1CCN(Cc2ccccc2)CCN1CCc1noc(CSc2nc[nH]n2)n1 ZINC000019371763 558879261 /nfs/dbraw/zinc/87/92/61/558879261.db2.gz AOPHXUOPOVFTQQ-UHFFFAOYSA-N 0 3 413.507 1.757 40 0 HDABHN COc1cc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019549888 558914676 /nfs/dbraw/zinc/91/46/76/558914676.db2.gz DJFQNUCGSJVYRD-UHFFFAOYSA-N 0 3 414.506 1.997 40 0 HDABHN COc1cc(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549888 558914679 /nfs/dbraw/zinc/91/46/79/558914679.db2.gz DJFQNUCGSJVYRD-UHFFFAOYSA-N 0 3 414.506 1.997 40 0 HDABHN COc1cc(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549888 558914683 /nfs/dbraw/zinc/91/46/83/558914683.db2.gz DJFQNUCGSJVYRD-UHFFFAOYSA-N 0 3 414.506 1.997 40 0 HDABHN CS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019572367 558930664 /nfs/dbraw/zinc/93/06/64/558930664.db2.gz JTVMJKWWMBCHFW-ZDUSSCGKSA-N 0 3 408.549 1.941 40 0 HDABHN CC(C)CN1Cc2c(C(=O)NCCN(C)C)ncn2-c2ccccc2S1(=O)=O ZINC000096147373 559098439 /nfs/dbraw/zinc/09/84/39/559098439.db2.gz KRXALYVLMXJDBI-UHFFFAOYSA-N 0 3 405.524 1.324 40 0 HDABHN CN(C)CCNC(=O)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 ZINC000096155934 559100081 /nfs/dbraw/zinc/10/00/81/559100081.db2.gz HSHVPCWXBSAFAQ-UHFFFAOYSA-N 0 3 406.534 1.948 40 0 HDABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262522 559111016 /nfs/dbraw/zinc/11/10/16/559111016.db2.gz KHFCHVBEGUSPDN-FQEVSTJZSA-N 0 3 414.502 1.796 40 0 HDABHN COCCOc1cc(CN(C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OC ZINC000585269726 559116071 /nfs/dbraw/zinc/11/60/71/559116071.db2.gz JBLSKZAXZALASQ-JOCHJYFZSA-N 0 3 416.522 1.892 40 0 HDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585273000 559117291 /nfs/dbraw/zinc/11/72/91/559117291.db2.gz OCMXWNDAPMSGNB-QHCPKHFHSA-N 0 3 411.550 1.772 40 0 HDABHN COCC(=O)N1CCN(C2CCOCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281852 559119518 /nfs/dbraw/zinc/11/95/18/559119518.db2.gz COTDNVLLXWQIHW-QFIPXVFZSA-N 0 3 406.523 1.383 40 0 HDABHN O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@](O)(CNCc2ccc(Cl)cc2)C1 ZINC000585288858 559122328 /nfs/dbraw/zinc/12/23/28/559122328.db2.gz ACSGEYLUGHWSSR-MOPGFXCFSA-N 0 3 410.923 1.616 40 0 HDABHN CCCCc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1 ZINC000585289871 559122538 /nfs/dbraw/zinc/12/25/38/559122538.db2.gz LQOWKBRLDACFFK-YADHBBJMSA-N 0 3 418.559 1.915 40 0 HDABHN O=C([C@H]1O[C@H](CCN2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1O)N1CCCC1 ZINC000030879287 560090087 /nfs/dbraw/zinc/09/00/87/560090087.db2.gz MAFBKWBSUGGCPZ-ACRUOGEOSA-N 0 3 405.514 1.869 40 0 biogenic,in-vitro HDABHN COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000004133581 560600673 /nfs/dbraw/zinc/60/06/73/560600673.db2.gz WXPSFKJKYGDNLP-GOSISDBHSA-N 0 3 418.563 1.954 40 0 HDABHN CN1CCC(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)CC1 ZINC000219402501 568491292 /nfs/dbraw/zinc/49/12/92/568491292.db2.gz CQHBGPWCVBDIGC-GOSISDBHSA-N 0 3 409.552 1.722 40 0 HDABHN O=C(CNC(=O)c1ccccc1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257249539 568790098 /nfs/dbraw/zinc/79/00/98/568790098.db2.gz JIVDJNFXNPCEQQ-FQEVSTJZSA-N 0 3 409.477 1.891 40 0 HDABHN O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1cccc(OCCN2CCCC2)c1 ZINC000257277808 568797863 /nfs/dbraw/zinc/79/78/63/568797863.db2.gz NZMPGECJGJJVRS-QFIPXVFZSA-N 0 3 411.506 1.322 40 0 HDABHN CC(=O)N[C@H]1CC[C@](CNC(=O)C2CCN(C)CC2)(c2ccccc2)CC[C@@H]1O ZINC000257317893 568809546 /nfs/dbraw/zinc/80/95/46/568809546.db2.gz VLPLAXNALQQNJY-FUDKSRODSA-N 0 3 401.551 1.822 40 0 HDABHN COc1cccc2[nH]c(C(=O)N3CCC[C@](O)(CN4CCN(C)CC4)CC3)cc21 ZINC000257332093 568813755 /nfs/dbraw/zinc/81/37/55/568813755.db2.gz XVSJDPDXBQCEFL-JOCHJYFZSA-N 0 3 400.523 1.781 40 0 HDABHN CCn1cc(CN2CCC3(CCc4nnc(C(=O)NCCOC)n4C3)CC2)cn1 ZINC000306132443 568894677 /nfs/dbraw/zinc/89/46/77/568894677.db2.gz LIYGUMPBHNYWFJ-UHFFFAOYSA-N 0 3 401.515 1.099 40 0 HDABHN Cc1ncsc1CN1CC[C@@]2(CCn3c2nn(Cc2cccs2)c(=O)c3=O)C1 ZINC000306133523 568895558 /nfs/dbraw/zinc/89/55/58/568895558.db2.gz MNVXRFRGQDYCRZ-LJQANCHMSA-N 0 3 415.544 1.827 40 0 HDABHN Cc1cccc(CN2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)n1 ZINC000306137092 568898816 /nfs/dbraw/zinc/89/88/16/568898816.db2.gz QLHYJAACTYKFJC-QHCPKHFHSA-N 0 3 403.486 1.605 40 0 HDABHN CN(C)C(=O)CN[C@@H]1CCCC[C@]12CN(Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139047 568900890 /nfs/dbraw/zinc/90/08/90/568900890.db2.gz SNZFVBVUHFXVKD-IRLDBZIGSA-N 0 3 412.538 1.459 40 0 HDABHN COc1ccc(CN2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@H]3C2)cc1 ZINC000306139965 568901803 /nfs/dbraw/zinc/90/18/03/568901803.db2.gz UFNYHSJPKOBJNO-CTNGQTDRSA-N 0 3 418.497 2.000 40 0 HDABHN COC(=O)c1ccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)cc1OC ZINC000328974286 568970641 /nfs/dbraw/zinc/97/06/41/568970641.db2.gz FFEIRWBZXWCWLO-UHFFFAOYSA-N 0 3 422.489 1.895 40 0 HDABHN Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000329035320 568973978 /nfs/dbraw/zinc/97/39/78/568973978.db2.gz RDMMBRDRWORURQ-KRWDZBQOSA-N 0 3 405.524 1.424 40 0 HDABHN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 ZINC000224314383 569057078 /nfs/dbraw/zinc/05/70/78/569057078.db2.gz NHSZTTXRAHHKPZ-UHFFFAOYSA-N 0 3 404.496 1.012 40 0 HDABHN COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN2CCC[C@H]2C1 ZINC000253499261 569317767 /nfs/dbraw/zinc/31/77/67/569317767.db2.gz SEABKHQAIUEJCC-PXNSSMCTSA-N 0 3 423.521 1.751 40 0 HDABHN CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(C)CC2)cc1 ZINC000020503856 291191507 /nfs/dbraw/zinc/19/15/07/291191507.db2.gz RKFYQPMJSSOSBY-JAXLGGSGSA-N 0 3 413.566 1.969 40 0 biogenic,in-vitro HDABHN CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@@H](O)[C@H]1O ZINC000008643633 291193412 /nfs/dbraw/zinc/19/34/12/291193412.db2.gz WRPSBYVOTAWPJC-YUVXSKOASA-N 0 3 418.921 1.968 40 0 biogenic,in-vitro HDABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299736 291200600 /nfs/dbraw/zinc/20/06/00/291200600.db2.gz QIINWWJVPVEKHE-KFWWJZLASA-N 0 3 402.524 1.845 40 0 biogenic,in-vitro HDABHN O[C@@H]1C[C@H](c2ccc(N3CCOCC3)nc2)[C@@H](NCc2ccc(Cl)cc2)[C@@H]1O ZINC000077261983 291201851 /nfs/dbraw/zinc/20/18/51/291201851.db2.gz QDPQYNISWKHXQJ-VURPSTOHSA-N 0 3 403.910 1.939 40 0 biogenic,in-vitro HDABHN Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CN3CCCCC3)C2)cnn1C ZINC000017089010 558817602 /nfs/dbraw/zinc/81/76/02/558817602.db2.gz AOJJZRHGOINSCQ-RDJZCZTQSA-N 0 3 411.572 1.120 40 0 HDABHN Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CN3CCCCC3)C2)cnn1C ZINC000017089009 558817661 /nfs/dbraw/zinc/81/76/61/558817661.db2.gz AOJJZRHGOINSCQ-DOTOQJQBSA-N 0 3 411.572 1.120 40 0 HDABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)C2CCN(C(C)=O)CC2)C1 ZINC000072354518 558951841 /nfs/dbraw/zinc/95/18/41/558951841.db2.gz TYTWZKDNXAGMDI-OAQYLSRUSA-N 0 3 401.551 1.894 40 0 HDABHN CC(C)c1cc(C(=O)NC(C)(C)CN2CCCCC2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019714654 558974739 /nfs/dbraw/zinc/97/47/39/558974739.db2.gz QQXDJYAZMTZHPB-UHFFFAOYSA-N 0 3 401.511 1.740 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@]1(CCN(C(=O)Cc3ccccc3)C1)CC2 ZINC000585106780 559029165 /nfs/dbraw/zinc/02/91/65/559029165.db2.gz JFKSWALJANEQPY-HSZRJFAPSA-N 0 3 424.549 1.367 40 0 HDABHN Cc1cc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccnc(N3CCOCC3)c2)n(C)n1 ZINC000585108914 559030301 /nfs/dbraw/zinc/03/03/01/559030301.db2.gz DBYCZNKTBOIKHG-PMACEKPBSA-N 0 3 410.522 1.336 40 0 HDABHN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585281578 559119397 /nfs/dbraw/zinc/11/93/97/559119397.db2.gz LGPNMJPNPUTVLA-QFIPXVFZSA-N 0 3 403.523 1.280 40 0 HDABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCCOc2ccccc2)[C@@H](O)C1 ZINC000585286350 559121938 /nfs/dbraw/zinc/12/19/38/559121938.db2.gz ZEZWTAQICMYWSA-FPOVZHCZSA-N 0 3 404.894 1.947 40 0 HDABHN CN(Cc1ccc(Cl)cc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290321 559122801 /nfs/dbraw/zinc/12/28/01/559122801.db2.gz AGVHUAYMBOBNON-MOPGFXCFSA-N 0 3 410.923 1.568 40 0 HDABHN COc1cccc(N2C(=O)C[C@@H](NC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1 ZINC000100205796 559131864 /nfs/dbraw/zinc/13/18/64/559131864.db2.gz LYXIHXIRZNVENV-LJQANCHMSA-N 0 3 409.490 1.993 40 0 HDABHN COc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCC(N)=O ZINC000007541498 560751623 /nfs/dbraw/zinc/75/16/23/560751623.db2.gz UZDLWGVVGYKCIT-UHFFFAOYSA-N 0 3 400.892 1.008 40 0 HDABHN COc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1N1C(=O)CCC1=O ZINC000260764722 568738058 /nfs/dbraw/zinc/73/80/58/568738058.db2.gz LNWMUILBRPBWSX-HNNXBMFYSA-N 0 3 423.535 1.749 40 0 HDABHN CN1C(=O)CO[C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]21 ZINC000257241777 568787843 /nfs/dbraw/zinc/78/78/43/568787843.db2.gz HZOAJJFQVCHJSI-HKUYNNGSSA-N 0 3 403.523 1.670 40 0 HDABHN CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000257245508 568788987 /nfs/dbraw/zinc/78/89/87/568788987.db2.gz IPVSMIJHHZPIGP-IBGZPJMESA-N 0 3 424.501 1.793 40 0 HDABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3cc(C)nc(N)n3)CC2)cc1 ZINC000257286457 568800585 /nfs/dbraw/zinc/80/05/85/568800585.db2.gz PLQQDMNOJHOIGZ-QFIPXVFZSA-N 0 3 413.522 1.865 40 0 HDABHN CN(C)CCOc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257325559 568811998 /nfs/dbraw/zinc/81/19/98/568811998.db2.gz WTNAHADDYKYAQQ-JOCHJYFZSA-N 0 3 413.522 1.521 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccn[nH]3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257335689 568814823 /nfs/dbraw/zinc/81/48/23/568814823.db2.gz YLKZTAIOZDQQHQ-FUDKSRODSA-N 0 3 411.550 1.628 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3cccnc3)C2)cs1 ZINC000306125971 568888505 /nfs/dbraw/zinc/88/85/05/568888505.db2.gz DHTBHYCCHHGEFC-HXUWFJFHSA-N 0 3 410.503 1.161 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)cc1F ZINC000306136795 568898609 /nfs/dbraw/zinc/89/86/09/568898609.db2.gz QDLZOQCHTOUDAG-RDTXWAMCSA-N 0 3 402.488 1.335 40 0 HDABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306139347 568901120 /nfs/dbraw/zinc/90/11/20/568901120.db2.gz SUZGZRHPDFOQJJ-RBUKOAKNSA-N 0 3 405.506 1.729 40 0 HDABHN CN(C)[C@H]1CCN(C(=O)c2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)C1 ZINC000306139684 568901732 /nfs/dbraw/zinc/90/17/32/568901732.db2.gz TXPOGHKFCDZZII-CVEARBPZSA-N 0 3 419.551 1.249 40 0 HDABHN CN(C)CCN1C[C@H]2N(S(=O)(=O)C3CC3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306140804 568902550 /nfs/dbraw/zinc/90/25/50/568902550.db2.gz VENARROVUKKBTQ-CTNGQTDRSA-N 0 3 405.564 1.675 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O ZINC000019699815 569347020 /nfs/dbraw/zinc/34/70/20/569347020.db2.gz IJRXFMKBZHRRLX-IBGZPJMESA-N 0 3 412.534 1.935 40 0 HDABHN CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000022926955 291193690 /nfs/dbraw/zinc/19/36/90/291193690.db2.gz AMIJHIYMJBXZCX-YTQUADARSA-N 0 3 400.523 1.103 40 0 biogenic,in-vitro HDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccn3)CN21)NCc1ccccc1 ZINC000035442271 291199570 /nfs/dbraw/zinc/19/95/70/291199570.db2.gz OLCQETVMFHVYDL-HBMCJLEFSA-N 0 3 407.518 1.209 40 0 biogenic,in-vitro HDABHN O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1 ZINC000012603718 291199732 /nfs/dbraw/zinc/19/97/32/291199732.db2.gz DWXAUHFDAQPCKG-IZZBFERCSA-N 0 3 406.429 1.250 40 0 biogenic,in-vitro HDABHN O[C@H]1CC[C@@H](Cc2cc(CN3CCOCC3)on2)O[C@@H]1CNCc1ccccc1 ZINC000077263490 291201863 /nfs/dbraw/zinc/20/18/63/291201863.db2.gz OIHBDNRQSRTQRU-ILWGZMRPSA-N 0 3 401.507 1.748 40 0 biogenic,in-vitro HDABHN O[C@@H]1C[C@H](c2ccc(N3CCOCC3)nc2)[C@@H](NCc2cnc3ccccc3c2)[C@@H]1O ZINC000077261979 291201880 /nfs/dbraw/zinc/20/18/80/291201880.db2.gz SHRMLJMUWRQOBE-WDWDUUAGSA-N 0 3 420.513 1.834 40 0 biogenic,in-vitro HDABHN C[C@@H](C(=O)NCCN1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703971 557731391 /nfs/dbraw/zinc/73/13/91/557731391.db2.gz HQZHWQPHUHTKPO-HNNXBMFYSA-N 0 3 411.524 1.214 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801541 558415286 /nfs/dbraw/zinc/41/52/86/558415286.db2.gz UOSNBKZABWIFGT-DLBZAZTESA-N 0 3 416.478 1.475 40 0 HDABHN COc1ccc([C@@H](CNC(=O)c2cc(=O)n(C)c(=O)n2C)N2CCCCCC2)cc1 ZINC000019288704 558861509 /nfs/dbraw/zinc/86/15/09/558861509.db2.gz DIDUBTKITUDLGA-LJQANCHMSA-N 0 3 414.506 1.440 40 0 HDABHN CCn1cc(S(=O)(=O)N2CCC(C(=O)NCCN3CCC(C)CC3)CC2)cn1 ZINC000019525012 558906255 /nfs/dbraw/zinc/90/62/55/558906255.db2.gz OLUGRNGQEJTOQB-UHFFFAOYSA-N 0 3 411.572 1.152 40 0 HDABHN C[C@H]1CN(c2nccc([C@@H]3CN(Cc4ccccn4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000072330535 558934762 /nfs/dbraw/zinc/93/47/62/558934762.db2.gz UVWNBTKHBFWNMH-RAUXBKROSA-N 0 3 424.549 1.789 40 0 HDABHN CN1C[C@H](C(=O)NCCc2ccc(F)cc2)[C@@H](c2ccnc(N3CCOCC3)n2)C1 ZINC000019590795 558940883 /nfs/dbraw/zinc/94/08/83/558940883.db2.gz KPVIQLMXAHWFFD-OALUTQOASA-N 0 3 413.497 1.456 40 0 HDABHN CC(C)c1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c2c(=O)[n-]c(=O)n(C)c2n1 ZINC000019663559 558954379 /nfs/dbraw/zinc/95/43/79/558954379.db2.gz FNZRBNSLSRKJOI-UHFFFAOYSA-N 0 3 401.511 1.549 40 0 HDABHN C[C@@H]1CCN(C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C[C@H]1O ZINC000585103798 559025795 /nfs/dbraw/zinc/02/57/95/559025795.db2.gz KDINCNGSWSZECU-WSTZPKSXSA-N 0 3 408.564 1.949 40 0 HDABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O ZINC000585107382 559027829 /nfs/dbraw/zinc/02/78/29/559027829.db2.gz UKCXSCFIHIRQDC-XUZZJYLKSA-N 0 3 422.529 1.409 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@]1(CCN(C(=O)c3ccccc3)C1)CC2 ZINC000585106810 559029181 /nfs/dbraw/zinc/02/91/81/559029181.db2.gz ZMDCYMMWOKOVTI-JOCHJYFZSA-N 0 3 410.522 1.438 40 0 HDABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3cnn(-c4ccccc4)c3)C2)C1 ZINC000096076360 559094559 /nfs/dbraw/zinc/09/45/59/559094559.db2.gz CUGHQDIWKSXLJF-QHCPKHFHSA-N 0 3 411.550 1.989 40 0 HDABHN CCN1C(=O)C2(CC13CCN(C(=O)COC)CC3)CCN(Cc1cccnc1)CC2 ZINC000096143706 559096191 /nfs/dbraw/zinc/09/61/91/559096191.db2.gz OWSJVKDHZCTMRJ-UHFFFAOYSA-N 0 3 414.550 1.924 40 0 HDABHN CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCCN(C)C)cc32)n1 ZINC000096156446 559100503 /nfs/dbraw/zinc/10/05/03/559100503.db2.gz HSUGFQUBGBLALV-INIZCTEOSA-N 0 3 420.539 1.062 40 0 HDABHN O=C(c1ccncn1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096262534 559106480 /nfs/dbraw/zinc/10/64/80/559106480.db2.gz WOCYMMNWRJXBLI-JOCHJYFZSA-N 0 3 406.490 1.116 40 0 HDABHN CN1CCN(c2ncnc3c2c(C(=O)NCCN2CCCC2)c2ccccn23)CC1 ZINC000096264412 559107532 /nfs/dbraw/zinc/10/75/32/559107532.db2.gz VPQBVNDRRDXPQJ-UHFFFAOYSA-N 0 3 407.522 1.460 40 0 HDABHN COCCOc1cc(CN(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OC ZINC000585269729 559116144 /nfs/dbraw/zinc/11/61/44/559116144.db2.gz JBLSKZAXZALASQ-QFIPXVFZSA-N 0 3 416.522 1.892 40 0 HDABHN O[C@]1(CNCc2cccc(CN3CCOCC3)c2)CCN(c2ccc(F)cn2)C1 ZINC000585274319 559118690 /nfs/dbraw/zinc/11/86/90/559118690.db2.gz VFJMHZIOEJAVGJ-QFIPXVFZSA-N 0 3 400.498 1.784 40 0 HDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585283549 559120635 /nfs/dbraw/zinc/12/06/35/559120635.db2.gz RUVDYXJKNUKEKS-HKUYNNGSSA-N 0 3 402.413 1.291 40 0 HDABHN COCCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257214453 559282744 /nfs/dbraw/zinc/28/27/44/559282744.db2.gz CMBNKWYVSOPVLD-FUDKSRODSA-N 0 3 403.567 1.628 40 0 HDABHN OCCOc1ccc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257218815 559282915 /nfs/dbraw/zinc/28/29/15/559282915.db2.gz DEMZPXAGKFQLHD-DEOSSOPVSA-N 0 3 411.546 1.817 40 0 HDABHN CN(C)c1cc(N2CC[C@@](O)(CNCc3ccc(OCCCO)cc3)C2)ncn1 ZINC000257238244 559284019 /nfs/dbraw/zinc/28/40/19/559284019.db2.gz HKCJJFRXCZTMNT-OAQYLSRUSA-N 0 3 401.511 1.035 40 0 HDABHN O=C(Cc1ccccc1)N1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514288944 560033549 /nfs/dbraw/zinc/03/35/49/560033549.db2.gz HDRMIXHKFHUVAA-DHIUTWEWSA-N 0 3 405.542 1.804 40 0 biogenic,in-vitro HDABHN COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1 ZINC000019593971 560875070 /nfs/dbraw/zinc/87/50/70/560875070.db2.gz PRWSMLJWHZRGEC-HXUWFJFHSA-N 0 3 400.527 1.978 40 0 HDABHN CN(C)CCOc1ccc(NC(=O)C2(NS(=O)(=O)c3cccs3)CC2)cn1 ZINC000225930667 568686980 /nfs/dbraw/zinc/68/69/80/568686980.db2.gz IMJUIDFCFJJIRH-UHFFFAOYSA-N 0 3 410.521 1.533 40 0 HDABHN Cc1nc2cc(CCC(=O)N3CCC[C@](O)(CN4CCN(C)CC4)CC3)ccc2[nH]1 ZINC000257296638 568803353 /nfs/dbraw/zinc/80/33/53/568803353.db2.gz RDRQJVVFTOMZFF-HSZRJFAPSA-N 0 3 413.566 1.795 40 0 HDABHN Cc1nc2ccc(CCC(=O)N3CCC[C@](O)(CN4CCN(C)CC4)CC3)cc2[nH]1 ZINC000257296638 568803355 /nfs/dbraw/zinc/80/33/55/568803355.db2.gz RDRQJVVFTOMZFF-HSZRJFAPSA-N 0 3 413.566 1.795 40 0 HDABHN CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC[C@@H]2O)CC1 ZINC000257342249 568816833 /nfs/dbraw/zinc/81/68/33/568816833.db2.gz ZNTPIXVMIDRDFB-SFTDATJTSA-N 0 3 411.506 1.206 40 0 HDABHN COCC(=O)N1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2ccccc2)CC4)CC1 ZINC000306125876 568888672 /nfs/dbraw/zinc/88/86/72/568888672.db2.gz DEMSOFNQXYIURC-UHFFFAOYSA-N 0 3 422.529 1.613 40 0 HDABHN Cc1nc(C)c(CN2CC[C@]3(C2)COCc2cnc(N4CCN(C)CC4)nc23)s1 ZINC000306130557 568892936 /nfs/dbraw/zinc/89/29/36/568892936.db2.gz JJSBHZAKLYAYBB-NRFANRHFSA-N 0 3 414.579 1.976 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)cc1F ZINC000306136792 568898634 /nfs/dbraw/zinc/89/86/34/568898634.db2.gz QDLZOQCHTOUDAG-KBXCAEBGSA-N 0 3 402.488 1.335 40 0 HDABHN CN(C)[C@@H]1CCN(C(=O)c2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)C1 ZINC000306139686 568901572 /nfs/dbraw/zinc/90/15/72/568901572.db2.gz TXPOGHKFCDZZII-HZPDHXFCSA-N 0 3 419.551 1.249 40 0 HDABHN CN(C)CCN1C[C@H]2N(S(=O)(=O)C3CC3)CC[C@@]2(c2ccccc2)CCC1=O ZINC000306140807 568902481 /nfs/dbraw/zinc/90/24/81/568902481.db2.gz VENARROVUKKBTQ-TZIWHRDSSA-N 0 3 405.564 1.675 40 0 HDABHN Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4cnn(C)c4)CC3)O2)cc1 ZINC000306141948 568903498 /nfs/dbraw/zinc/90/34/98/568903498.db2.gz WLEOPOJBUBNMPB-NRFANRHFSA-N 0 3 411.550 1.710 40 0 HDABHN CC(C)c1nc(NCCN(C)C)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000328979953 568970973 /nfs/dbraw/zinc/97/09/73/568970973.db2.gz GIXXRFYKALWSSB-UHFFFAOYSA-N 0 3 418.567 1.784 40 0 HDABHN O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1)N1CCOCC1 ZINC000008298040 568988126 /nfs/dbraw/zinc/98/81/26/568988126.db2.gz PDJZRYVYSOHMMM-DSKINZAPSA-N 0 3 411.506 1.426 40 0 biogenic,in-vitro HDABHN COc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111601 569342871 /nfs/dbraw/zinc/34/28/71/569342871.db2.gz SZTXZYUHJATOJU-UHFFFAOYSA-N 0 3 405.520 1.877 40 0 HDABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000019590228 569345804 /nfs/dbraw/zinc/34/58/04/569345804.db2.gz QJEWPPIFDZATIQ-OXJNMPFZSA-N 0 3 408.502 1.778 40 0 HDABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000019590228 569345805 /nfs/dbraw/zinc/34/58/05/569345805.db2.gz QJEWPPIFDZATIQ-OXJNMPFZSA-N 0 3 408.502 1.778 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O ZINC000019699855 569347124 /nfs/dbraw/zinc/34/71/24/569347124.db2.gz MHYYQLIAWLQRSC-IBGZPJMESA-N 0 3 412.534 1.935 40 0 HDABHN CN1CCN(c2nccc(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)n2)CC1 ZINC000019590158 132468177 /nfs/dbraw/zinc/46/81/77/132468177.db2.gz GHCGTDAKRLQIBO-QUCCMNQESA-N 0 3 416.476 1.616 40 0 HDABHN COc1ccc([C@@H](NCCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000001579529 557273767 /nfs/dbraw/zinc/27/37/67/557273767.db2.gz PSXHWYTZGBOTRY-IBGZPJMESA-N 0 3 419.485 1.822 40 0 HDABHN CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3CCN2CCCCC2)n(C)c1=O ZINC000010330406 557860598 /nfs/dbraw/zinc/86/05/98/557860598.db2.gz QNPXLEKCAOBUNF-HNNXBMFYSA-N 0 3 401.515 1.550 40 0 HDABHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCN(Cc4ccccc4)C3)cc2c(=O)[nH]1 ZINC000012362264 558387383 /nfs/dbraw/zinc/38/73/83/558387383.db2.gz BSDDZMSRSQKWKE-OAHLLOKOSA-N 0 3 414.487 1.017 40 0 HDABHN COc1cccc(N2C(=O)C[C@H](NC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)c1 ZINC000022145175 558464649 /nfs/dbraw/zinc/46/46/49/558464649.db2.gz LYXIHXIRZNVENV-IBGZPJMESA-N 0 3 409.490 1.993 40 0 HDABHN C[C@@H](C(=O)NCCCN1CCN(C)CC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000022935254 558526494 /nfs/dbraw/zinc/52/64/94/558526494.db2.gz QAQRIEIRTOLVBV-INIZCTEOSA-N 0 3 416.547 1.491 40 0 HDABHN CN(C)CCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000013670260 558561711 /nfs/dbraw/zinc/56/17/11/558561711.db2.gz QGAFROTZFULLNY-UHFFFAOYSA-N 0 3 401.838 1.803 40 0 HDABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000072398722 558976291 /nfs/dbraw/zinc/97/62/91/558976291.db2.gz QJEWPPIFDZATIQ-UZLBHIALSA-N 0 3 408.502 1.778 40 0 HDABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4OCCc5ccccc54)C3)[n-]c(=O)c2C1 ZINC000072398722 558976294 /nfs/dbraw/zinc/97/62/94/558976294.db2.gz QJEWPPIFDZATIQ-UZLBHIALSA-N 0 3 408.502 1.778 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@@]1(CCN(C(=O)c3cccs3)C1)CC2 ZINC000585106808 559029183 /nfs/dbraw/zinc/02/91/83/559029183.db2.gz UOXXNNUIGZHBAV-FQEVSTJZSA-N 0 3 416.551 1.500 40 0 HDABHN CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCN(C(C)=O)CC3)C2)cc1 ZINC000585269848 559116077 /nfs/dbraw/zinc/11/60/77/559116077.db2.gz MKSUEHAAXWCVMB-JOCHJYFZSA-N 0 3 405.539 1.203 40 0 HDABHN COc1cc(CNC[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)cc(OC)c1 ZINC000585285055 559121494 /nfs/dbraw/zinc/12/14/94/559121494.db2.gz NRYATRRYLDAGAF-RBBKRZOGSA-N 0 3 400.475 1.432 40 0 HDABHN O=C(c1ccnnc1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097954328 559125062 /nfs/dbraw/zinc/12/50/62/559125062.db2.gz KZOHRCADRJHELN-QFIPXVFZSA-N 0 3 406.490 1.116 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@H]1c1ccccc1 ZINC000017093880 560868541 /nfs/dbraw/zinc/86/85/41/560868541.db2.gz ABNZOLDVCBCWOB-MSOLQXFVSA-N 0 3 424.457 1.444 40 0 HDABHN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCCCC3)C2)cc1 ZINC000026111351 568540872 /nfs/dbraw/zinc/54/08/72/568540872.db2.gz IPDRMKTVFIGXEZ-QGZVFWFLSA-N 0 3 409.552 1.698 40 0 HDABHN CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccccc4)[nH]n3)[C@H]2O)CC1 ZINC000257215038 568780624 /nfs/dbraw/zinc/78/06/24/568780624.db2.gz COJVOARHSYNQMI-NJDAHSKKSA-N 0 3 411.506 1.205 40 0 HDABHN CC(=O)N[C@]12CN(CC(=O)Nc3cn(C)nc3C)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257291127 568801827 /nfs/dbraw/zinc/80/18/27/568801827.db2.gz QFTPCQFRZKLOBC-UEVCKROQSA-N 0 3 424.549 1.551 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3cncnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257296776 568803492 /nfs/dbraw/zinc/80/34/92/568803492.db2.gz REIRHZRNXZSGRC-FIXSFTCYSA-N 0 3 423.561 1.695 40 0 HDABHN CN1CCN(C[C@]2(O)CCCN(C(=O)c3c(=O)[nH]cc4c3CCCC4)CC2)CC1 ZINC000257317423 568809587 /nfs/dbraw/zinc/80/95/87/568809587.db2.gz VJROZGMHAHRBJD-QFIPXVFZSA-N 0 3 402.539 1.271 40 0 HDABHN Cc1cccc(CN2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)n1 ZINC000306126006 568888625 /nfs/dbraw/zinc/88/86/25/568888625.db2.gz DJGNUQJHJTVSMS-HSZRJFAPSA-N 0 3 421.476 1.744 40 0 HDABHN COCCN1CC[C@@]2(CN(Cc3cnn(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306133956 568896064 /nfs/dbraw/zinc/89/60/64/568896064.db2.gz NAFONLKKVSTRLW-RXVVDRJESA-N 0 3 400.527 1.662 40 0 HDABHN COc1ncccc1CN1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306135562 568897432 /nfs/dbraw/zinc/89/74/32/568897432.db2.gz OURQWSPWHVWCNV-RTBURBONSA-N 0 3 418.501 1.916 40 0 HDABHN COc1ccc(CN2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cc1 ZINC000306136153 568898038 /nfs/dbraw/zinc/89/80/38/568898038.db2.gz PKYDTMAHACJDMA-QHCPKHFHSA-N 0 3 419.485 1.404 40 0 HDABHN COc1ccc(CN2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cc1 ZINC000306136152 568898041 /nfs/dbraw/zinc/89/80/41/568898041.db2.gz PKYDTMAHACJDMA-HSZRJFAPSA-N 0 3 419.485 1.404 40 0 HDABHN CCOc1cc(CN2CCC3(C[C@H](CNS(=O)(=O)C4CC4)O3)CC2)ccc1O ZINC000306138005 568899889 /nfs/dbraw/zinc/89/98/89/568899889.db2.gz RMKRUXAFWUEDAB-MRXNPFEDSA-N 0 3 410.536 1.996 40 0 HDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218155337 568926750 /nfs/dbraw/zinc/92/67/50/568926750.db2.gz GCKMDJHWZZIJJL-HBFSDRIKSA-N 0 3 403.456 1.863 40 0 HDABHN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)c1 ZINC000224314904 569057110 /nfs/dbraw/zinc/05/71/10/569057110.db2.gz ZKIKOVSGPUDWPS-UHFFFAOYSA-N 0 3 407.496 1.071 40 0 HDABHN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN2CCC[C@H]2C1 ZINC000253499259 569317800 /nfs/dbraw/zinc/31/78/00/569317800.db2.gz SEABKHQAIUEJCC-FXAWDEMLSA-N 0 3 423.521 1.751 40 0 HDABHN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2)cc1 ZINC000010111585 569342869 /nfs/dbraw/zinc/34/28/69/569342869.db2.gz UGKUXAYVQNSBFK-UHFFFAOYSA-N 0 3 405.520 1.958 40 0 HDABHN O=C(C1CC1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699402 569346951 /nfs/dbraw/zinc/34/69/51/569346951.db2.gz FECRLNSTDUCPBN-IBGZPJMESA-N 0 3 410.518 1.974 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O ZINC000019699895 569347142 /nfs/dbraw/zinc/34/71/42/569347142.db2.gz XZTPPYBYLNTFTD-KRWDZBQOSA-N 0 3 414.506 1.706 40 0 HDABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 ZINC000019709554 569348073 /nfs/dbraw/zinc/34/80/73/569348073.db2.gz UQYIXIOSBBMBST-KRWDZBQOSA-N 0 3 403.552 1.971 40 0 HDABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)O)nn1 ZINC000008298266 291197566 /nfs/dbraw/zinc/19/75/66/291197566.db2.gz DMUJHHHXLJFQQV-JQHSSLGASA-N 0 3 413.522 1.541 40 0 biogenic,in-vitro HDABHN CSCC(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C3CCN(C(C)=O)CC3)C1)C2 ZINC000008300427 291197999 /nfs/dbraw/zinc/19/79/99/291197999.db2.gz HDOPRTOQOYDCGM-JKSUJKDBSA-N 0 3 418.563 1.580 40 0 biogenic,in-vitro HDABHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCCc1ccccc1 ZINC000007540127 557746063 /nfs/dbraw/zinc/74/60/63/557746063.db2.gz HESLHNUZQQENSP-UHFFFAOYSA-N 0 3 411.462 1.802 40 0 HDABHN Cc1cnc2c(C(=O)N3CCC([C@H]4CCCCN4CC(=O)N(C)C)CC3)cnn2c1 ZINC000019746323 558266261 /nfs/dbraw/zinc/26/62/61/558266261.db2.gz BQFFBOXCFUIICP-LJQANCHMSA-N 0 3 412.538 1.833 40 0 HDABHN CN(CC(=O)NCCCN1CCc2ccccc2C1)S(=O)(=O)c1ccccc1 ZINC000046442703 558840436 /nfs/dbraw/zinc/84/04/36/558840436.db2.gz YCPOQHLVKLUZHP-UHFFFAOYSA-N 0 3 401.532 1.872 40 0 HDABHN CCc1cc(C(=O)NCCN2CC[C@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019663546 558954390 /nfs/dbraw/zinc/95/43/90/558954390.db2.gz YZJYAMPPXMWLCE-INIZCTEOSA-N 0 3 421.501 1.404 40 0 HDABHN CCn1cc(CN2C[C@@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cn1 ZINC000585101939 559025135 /nfs/dbraw/zinc/02/51/35/559025135.db2.gz KLZSCJXNHYNNOG-KRWDZBQOSA-N 0 3 402.499 1.182 40 0 HDABHN O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096056163 559094081 /nfs/dbraw/zinc/09/40/81/559094081.db2.gz GSKOGLYCPXYHMF-UGKGYDQZSA-N 0 3 411.506 1.647 40 0 HDABHN CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccccc1)CCC2 ZINC000096083065 559094900 /nfs/dbraw/zinc/09/49/00/559094900.db2.gz UHNSYVPPQQNWHZ-OFNKIYASSA-N 0 3 409.534 1.863 40 0 HDABHN CNc1cc(N2CCC[C@](O)(CNC(=O)CCCN3Cc4ccccc4C3)C2)ncn1 ZINC000585263187 559111910 /nfs/dbraw/zinc/11/19/10/559111910.db2.gz ICJSDLGFAXVZTR-QHCPKHFHSA-N 0 3 424.549 1.762 40 0 HDABHN CN(C)c1ncncc1N1CC[C@](O)(CN(C)Cc2ccc(OCCCO)cc2)C1 ZINC000585269869 559116184 /nfs/dbraw/zinc/11/61/84/559116184.db2.gz NRWFWZMWDCPGIS-QFIPXVFZSA-N 0 3 415.538 1.377 40 0 HDABHN CS(=O)(=O)N1CCC(N2CCC(O)(COc3cccc(Cl)c3)CC2)CC1 ZINC000585281892 559119533 /nfs/dbraw/zinc/11/95/33/559119533.db2.gz SJTWEOCXBKFZIS-UHFFFAOYSA-N 0 3 402.944 1.970 40 0 HDABHN CC(=O)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)CC1 ZINC000585286749 559122055 /nfs/dbraw/zinc/12/20/55/559122055.db2.gz IHAZLVZADMFRNB-REWPJTCUSA-N 0 3 420.550 1.162 40 0 HDABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257268606 559285061 /nfs/dbraw/zinc/28/50/61/559285061.db2.gz MMJZZQUTIKBAIU-QHCPKHFHSA-N 0 3 411.550 1.772 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)c3ccco3)CC2)N[C@@H]1c1ccccc1 ZINC000017093879 560868537 /nfs/dbraw/zinc/86/85/37/560868537.db2.gz ABNZOLDVCBCWOB-ZWKOTPCHSA-N 0 3 424.457 1.444 40 0 HDABHN C[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000022829838 568499866 /nfs/dbraw/zinc/49/98/66/568499866.db2.gz QHMJBMMQAALIAA-OAHLLOKOSA-N 0 3 416.975 1.248 40 0 HDABHN CN(C(=O)c1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257285080 568799976 /nfs/dbraw/zinc/79/99/76/568799976.db2.gz PFOJHKYQEBPXDF-YPAWHYETSA-N 0 3 417.550 1.457 40 0 HDABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000257313010 568808072 /nfs/dbraw/zinc/80/80/72/568808072.db2.gz UQPPCIMOJROELV-NRFANRHFSA-N 0 3 400.479 1.268 40 0 HDABHN CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000257321348 568810892 /nfs/dbraw/zinc/81/08/92/568810892.db2.gz WBHCSDXDBNPANJ-LJQANCHMSA-N 0 3 410.522 1.943 40 0 HDABHN CC(=O)N[C@]12CN(CC(=O)Nc3cc(C)n(C)n3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257325563 568812086 /nfs/dbraw/zinc/81/20/86/568812086.db2.gz WTNJYULUEVLOFX-UEVCKROQSA-N 0 3 424.549 1.551 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccncc3)C2)cs1 ZINC000306123148 568886277 /nfs/dbraw/zinc/88/62/77/568886277.db2.gz AFQRUSFZWCVUEU-FQEVSTJZSA-N 0 3 410.503 1.161 40 0 HDABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000575420643 569025990 /nfs/dbraw/zinc/02/59/90/569025990.db2.gz DCJARIRQGYJTBX-MRXNPFEDSA-N 0 3 406.545 1.735 40 0 HDABHN NCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000575425293 569026677 /nfs/dbraw/zinc/02/66/77/569026677.db2.gz XTXATBPYINZJOA-QGZVFWFLSA-N 0 3 400.566 1.871 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(S(=O)(=O)c3ccccc3)C1)C2=O ZINC000019699824 569347130 /nfs/dbraw/zinc/34/71/30/569347130.db2.gz BOXMINUPAXKMLV-MRXNPFEDSA-N 0 3 420.535 1.246 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O ZINC000019699817 569347133 /nfs/dbraw/zinc/34/71/33/569347133.db2.gz ANVDQYKRQGIEOB-IBGZPJMESA-N 0 3 412.534 1.935 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O ZINC000019699823 569347137 /nfs/dbraw/zinc/34/71/37/569347137.db2.gz OCHZTKKNYMRJGZ-SFHVURJKSA-N 0 3 416.497 1.766 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O ZINC000019699896 569347168 /nfs/dbraw/zinc/34/71/68/569347168.db2.gz LNVZBXPWFJOVCU-QGZVFWFLSA-N 0 3 414.506 1.706 40 0 HDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21)NCc1ccc(F)cc1 ZINC000035442264 291199584 /nfs/dbraw/zinc/19/95/84/291199584.db2.gz IGBYGVWORXHLKO-BDTNDASRSA-N 0 3 424.520 1.953 40 0 biogenic,in-vitro HDABHN COc1cc2c(cc1-c1cncn1CCN[C@@H]1CCS(=O)(=O)C1)OCCCO2 ZINC000019720018 558258658 /nfs/dbraw/zinc/25/86/58/558258658.db2.gz ISEKHMWZHXGWFB-CQSZACIVSA-N 0 3 407.492 1.497 40 0 HDABHN CN1CCCC[C@H]1CNC(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O ZINC000019751375 558271550 /nfs/dbraw/zinc/27/15/50/558271550.db2.gz JVYVUTPDKGCNQM-SFHVURJKSA-N 0 3 400.454 1.840 40 0 HDABHN CCOC(=O)C1=C([O-])NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674697 558399320 /nfs/dbraw/zinc/39/93/20/558399320.db2.gz SZMXMWDJDHKLMG-JKSUJKDBSA-N 0 3 420.441 1.306 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674697 558399322 /nfs/dbraw/zinc/39/93/22/558399322.db2.gz SZMXMWDJDHKLMG-JKSUJKDBSA-N 0 3 420.441 1.306 40 0 HDABHN COc1ccc([C@H](CNC(=O)c2cc(=O)n(C)c(=O)n2C)N2CCCCCC2)cc1 ZINC000019288705 558861479 /nfs/dbraw/zinc/86/14/79/558861479.db2.gz DIDUBTKITUDLGA-IBGZPJMESA-N 0 3 414.506 1.440 40 0 HDABHN O=c1[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)cc2c(=O)[nH]1 ZINC000019346298 558873611 /nfs/dbraw/zinc/87/36/11/558873611.db2.gz NZODQKHYJVFBSG-CQSZACIVSA-N 0 3 406.508 1.246 40 0 HDABHN CC(C)NC(=O)[C@H]1CN(Cc2ccncc2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450176 558888686 /nfs/dbraw/zinc/88/86/86/558888686.db2.gz RHLFPKOIPKHLBM-OALUTQOASA-N 0 3 410.522 1.448 40 0 HDABHN CC(C)NC(=O)[C@H]1CN(Cc2ccccn2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450172 558888710 /nfs/dbraw/zinc/88/87/10/558888710.db2.gz QKVYILDMTJPHGP-OALUTQOASA-N 0 3 410.522 1.448 40 0 HDABHN COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1O ZINC000019559728 558920975 /nfs/dbraw/zinc/92/09/75/558920975.db2.gz CQMPRCZNPCZMLR-MRXNPFEDSA-N 0 3 400.479 1.700 40 0 HDABHN COc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1O ZINC000019559728 558920977 /nfs/dbraw/zinc/92/09/77/558920977.db2.gz CQMPRCZNPCZMLR-MRXNPFEDSA-N 0 3 400.479 1.700 40 0 HDABHN CCc1cc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019663543 558954467 /nfs/dbraw/zinc/95/44/67/558954467.db2.gz YZJYAMPPXMWLCE-MRXNPFEDSA-N 0 3 421.501 1.404 40 0 HDABHN O=C(CN1CCCCCC1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380674 558968712 /nfs/dbraw/zinc/96/87/12/558968712.db2.gz LMWZZIKNMPKBTP-QGZVFWFLSA-N 0 3 403.527 1.464 40 0 HDABHN CN1CCCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000257230184 558992363 /nfs/dbraw/zinc/99/23/63/558992363.db2.gz GBFASEBRIHOLAN-GOSISDBHSA-N 0 3 401.555 1.313 40 0 HDABHN COCCN1C[C@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104543 559027015 /nfs/dbraw/zinc/02/70/15/559027015.db2.gz PVHLCSVJHMGRGA-HXUWFJFHSA-N 0 3 402.520 1.902 40 0 HDABHN COCC(=O)N1CCC2(CC3(CCN(Cc4cccnc4)CC3)C(=O)N2C)CC1 ZINC000096143690 559096157 /nfs/dbraw/zinc/09/61/57/559096157.db2.gz CDYLPCGDOUNWFZ-UHFFFAOYSA-N 0 3 400.523 1.534 40 0 HDABHN COCCNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(OC)cc3)CC2)O1 ZINC000096263250 559106979 /nfs/dbraw/zinc/10/69/79/559106979.db2.gz ATUKVMYEKUZIIV-IBGZPJMESA-N 0 3 414.506 1.544 40 0 HDABHN CC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1 ZINC000585283662 559120821 /nfs/dbraw/zinc/12/08/21/559120821.db2.gz SVRMRCJUOVOWPC-QHCPKHFHSA-N 0 3 417.550 1.588 40 0 HDABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CN(CCO)Cc2ccccc2)[C@@H](O)C1 ZINC000585283776 559120830 /nfs/dbraw/zinc/12/08/30/559120830.db2.gz HMNGWSNKJLUTSA-UNMCSNQZSA-N 0 3 418.921 1.772 40 0 HDABHN O=C1CO[C@H]2CN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]2N1C1CCOCC1 ZINC000585288953 559122313 /nfs/dbraw/zinc/12/23/13/559122313.db2.gz LQZFSQXQVBRHJZ-KHYDEXNFSA-N 0 3 416.518 1.438 40 0 HDABHN CC(C)N(Cc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291375 559123796 /nfs/dbraw/zinc/12/37/96/559123796.db2.gz OKVHDHAHLYPJEG-RTWAWAEBSA-N 0 3 404.532 1.694 40 0 HDABHN CN(Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257223782 568783205 /nfs/dbraw/zinc/78/32/05/568783205.db2.gz DYVFUSFZWUWULF-WOIUINJBSA-N 0 3 419.566 1.504 40 0 HDABHN O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc(OCCN2CCCC2)c1 ZINC000257271421 568795999 /nfs/dbraw/zinc/79/59/99/568795999.db2.gz MYFQCHZSCFHHSD-YPAWHYETSA-N 0 3 417.550 1.505 40 0 HDABHN Cn1ccnc1-c1cc(CC2CCN(C3CCN(S(C)(=O)=O)CC3)CC2)ncn1 ZINC000257291571 568802038 /nfs/dbraw/zinc/80/20/38/568802038.db2.gz QHOVUMRYEPBSCD-UHFFFAOYSA-N 0 3 418.567 1.556 40 0 HDABHN CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000257321347 568810877 /nfs/dbraw/zinc/81/08/77/568810877.db2.gz WBHCSDXDBNPANJ-IBGZPJMESA-N 0 3 410.522 1.943 40 0 HDABHN COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3cc(C)nc(=O)[n-]3)CC2)cc1 ZINC000257326482 568812285 /nfs/dbraw/zinc/81/22/85/568812285.db2.gz WXJGBGYITMANMS-JOCHJYFZSA-N 0 3 414.506 1.988 40 0 HDABHN COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3cc(C)nc(=O)[n-]3)CC2)cc1 ZINC000257326482 568812286 /nfs/dbraw/zinc/81/22/86/568812286.db2.gz WXJGBGYITMANMS-JOCHJYFZSA-N 0 3 414.506 1.988 40 0 HDABHN CN1CCN(C[C@H]2CC3(CCN(Cc4cccc(N5CCOCC5)n4)CC3)O2)CC1 ZINC000306127267 568889964 /nfs/dbraw/zinc/88/99/64/568889964.db2.gz FTNYFSAGSZQXEB-OAQYLSRUSA-N 0 3 415.582 1.289 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccsc4)C2)C3)cs1 ZINC000306130384 568892643 /nfs/dbraw/zinc/89/26/43/568892643.db2.gz JEOJRSYOIBADAE-LJQANCHMSA-N 0 3 415.544 1.728 40 0 HDABHN COc1cccc(-n2nccc2-c2nc(C(=O)NCCN(C)C)c3cnccn32)c1 ZINC000306130280 568892779 /nfs/dbraw/zinc/89/27/79/568892779.db2.gz JBCCBASCMLOVIX-UHFFFAOYSA-N 0 3 405.462 1.882 40 0 HDABHN Cn1ccnc1-c1nnc2n(c1=O)CC[C@@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306130837 568893102 /nfs/dbraw/zinc/89/31/02/568893102.db2.gz JQYXBLRINPXCTB-OAQYLSRUSA-N 0 3 406.446 1.315 40 0 HDABHN Cn1ccnc1-c1nnc2n(c1=O)CC[C@]21CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000306130836 568893267 /nfs/dbraw/zinc/89/32/67/568893267.db2.gz JQYXBLRINPXCTB-NRFANRHFSA-N 0 3 406.446 1.315 40 0 HDABHN CN(C)[C@H]1CCN(C(=O)c2ncn3c2-c2nc(NCc4ccco4)ncc2CC3)C1 ZINC000306132927 568895053 /nfs/dbraw/zinc/89/50/53/568895053.db2.gz LWPFTFLGXYNCMG-HNNXBMFYSA-N 0 3 407.478 1.877 40 0 HDABHN CCn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC000306139348 568901209 /nfs/dbraw/zinc/90/12/09/568901209.db2.gz SUZGZRHPDFOQJJ-RTBURBONSA-N 0 3 405.506 1.729 40 0 HDABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000306144608 568906024 /nfs/dbraw/zinc/90/60/24/568906024.db2.gz ZKEGYZAEGLMUIT-UHFFFAOYSA-N 0 3 415.542 1.660 40 0 HDABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 ZINC000575426240 569027027 /nfs/dbraw/zinc/02/70/27/569027027.db2.gz PFHPTXOEOUVWBA-INIZCTEOSA-N 0 3 418.581 1.605 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(C)c3)CC1)C2=O ZINC000019699560 569347037 /nfs/dbraw/zinc/34/70/37/569347037.db2.gz SBZGANAZBPGBES-UHFFFAOYSA-N 0 3 412.534 1.935 40 0 HDABHN COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCOCC2)cc1 ZINC000095252499 291197012 /nfs/dbraw/zinc/19/70/12/291197012.db2.gz DFSCBSCYZADZKE-OKZBNKHCSA-N 0 3 409.552 1.016 40 0 biogenic,in-vitro HDABHN Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3C3CCN(C)CC3)n2)cc1 ZINC000015674556 291198897 /nfs/dbraw/zinc/19/88/97/291198897.db2.gz QSPZRDKUJKPTRJ-AEFFLSMTSA-N 0 3 420.535 1.554 40 0 biogenic,in-vitro HDABHN Cc1ccccc1Cn1c2c(nc1N1CCN(CC(C)C)CC1)n(C)c(=O)[nH]c2=O ZINC000005147906 557638066 /nfs/dbraw/zinc/63/80/66/557638066.db2.gz WAVFSAWOWKMUFW-UHFFFAOYSA-N 0 3 410.522 1.558 40 0 HDABHN Cc1cnc2c(C(=O)N3CCC([C@@H]4CCCCN4CC(=O)N(C)C)CC3)cnn2c1 ZINC000019746324 558266271 /nfs/dbraw/zinc/26/62/71/558266271.db2.gz BQFFBOXCFUIICP-IBGZPJMESA-N 0 3 412.538 1.833 40 0 HDABHN C[C@H](C(=O)NCCCN1CCN(C)CC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000022935251 558526375 /nfs/dbraw/zinc/52/63/75/558526375.db2.gz QAQRIEIRTOLVBV-MRXNPFEDSA-N 0 3 416.547 1.491 40 0 HDABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ncccn4)CC3)ccc21 ZINC000019572508 558930629 /nfs/dbraw/zinc/93/06/29/558930629.db2.gz UXEBXWOCOCMBOQ-IBGZPJMESA-N 0 3 417.535 1.044 40 0 HDABHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)CC1=O ZINC000019582828 558937640 /nfs/dbraw/zinc/93/76/40/558937640.db2.gz JYCPSIRPEONNSV-QZTJIDSGSA-N 0 3 409.534 1.933 40 0 HDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019583757 558938132 /nfs/dbraw/zinc/93/81/32/558938132.db2.gz SSQOHTDDYLKACW-HNNXBMFYSA-N 0 3 423.583 1.859 40 0 HDABHN CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019583757 558938135 /nfs/dbraw/zinc/93/81/35/558938135.db2.gz SSQOHTDDYLKACW-HNNXBMFYSA-N 0 3 423.583 1.859 40 0 HDABHN CCN(CC)CC(=O)N(C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)N(C)C)cc1 ZINC000072370196 558956390 /nfs/dbraw/zinc/95/63/90/558956390.db2.gz KXDXUFUMIDBVJK-RTWAWAEBSA-N 0 3 416.566 1.637 40 0 HDABHN Cc1cccnc1CN1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000019714018 558973795 /nfs/dbraw/zinc/97/37/95/558973795.db2.gz QTTVQZGTHHAQCL-UHFFFAOYSA-N 0 3 408.550 1.885 40 0 HDABHN CN1CCC(NC(=O)[C@@H]2CC[C@@H]3[C@@H](CCN3C(=O)Cc3ccc(F)cn3)O2)CC1 ZINC000585108627 559030101 /nfs/dbraw/zinc/03/01/01/559030101.db2.gz NWJRIINOBOENEO-QRVBRYPASA-N 0 3 404.486 1.122 40 0 HDABHN CN(C)CCNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096243739 559104857 /nfs/dbraw/zinc/10/48/57/559104857.db2.gz PYXRWJOGYIARHR-IBGZPJMESA-N 0 3 415.513 1.590 40 0 HDABHN COCC(=O)N1CCN(C2CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585281851 559119503 /nfs/dbraw/zinc/11/95/03/559119503.db2.gz COTDNVLLXWQIHW-JOCHJYFZSA-N 0 3 406.523 1.383 40 0 HDABHN COc1ccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1OC ZINC000585289853 559122552 /nfs/dbraw/zinc/12/25/52/559122552.db2.gz LBCBFIFZTDWAOM-GMAHTHKFSA-N 0 3 414.502 1.360 40 0 HDABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CN2CCC(C(F)(F)F)CC2)C1 ZINC000585290337 559122961 /nfs/dbraw/zinc/12/29/61/559122961.db2.gz AJTKDNLBHVJJBH-MJGOQNOKSA-N 0 3 400.441 1.828 40 0 HDABHN CN(CCc1ccccc1)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O ZINC000585291025 559123571 /nfs/dbraw/zinc/12/35/71/559123571.db2.gz ZSMGINXMMQEBMN-IRLDBZIGSA-N 0 3 402.922 1.991 40 0 HDABHN COCCOc1cc(CNC[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OC ZINC000257262832 559284894 /nfs/dbraw/zinc/28/48/94/559284894.db2.gz LNCDCRKAVBRFEZ-NRFANRHFSA-N 0 3 402.495 1.632 40 0 HDABHN OCCOCCOc1ccc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257297475 559285946 /nfs/dbraw/zinc/28/59/46/559285946.db2.gz RHJURTMOORFILK-HXUWFJFHSA-N 0 3 414.493 1.742 40 0 HDABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccnnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257302901 559286119 /nfs/dbraw/zinc/28/61/19/559286119.db2.gz SEWWNMSPXHWUGN-FIXSFTCYSA-N 0 3 423.561 1.695 40 0 HDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514288767 560034334 /nfs/dbraw/zinc/03/43/34/560034334.db2.gz CSVZGCDPHWJTLY-FDFHNCONSA-N 0 3 418.559 1.483 40 0 biogenic,in-vitro HDABHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1cccs1 ZINC000007523882 560751472 /nfs/dbraw/zinc/75/14/72/560751472.db2.gz JVMIFGYHMCXYOX-UHFFFAOYSA-N 0 3 403.464 1.821 40 0 HDABHN COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2OC)cc1 ZINC000010111602 560763812 /nfs/dbraw/zinc/76/38/12/560763812.db2.gz RSKYHWGCPOPEDL-UHFFFAOYSA-N 0 3 421.519 1.577 40 0 HDABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccc(F)c(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382586 568489481 /nfs/dbraw/zinc/48/94/81/568489481.db2.gz STSCHVHNAJUZEP-XNFNUYLZSA-N 0 3 407.461 1.634 40 0 biogenic,in-vitro HDABHN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC1CCN(C)CC1 ZINC000224269551 568575991 /nfs/dbraw/zinc/57/59/91/568575991.db2.gz RPNZBHPAGGZDGZ-UHFFFAOYSA-N 0 3 409.552 1.623 40 0 HDABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 ZINC000225086337 568613133 /nfs/dbraw/zinc/61/31/33/568613133.db2.gz GXWFGXZDKQRKFP-HZPDHXFCSA-N 0 3 407.536 1.986 40 0 HDABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)cn1 ZINC000225924469 568686488 /nfs/dbraw/zinc/68/64/88/568686488.db2.gz NFMZKGSFVDLLLO-UHFFFAOYSA-N 0 3 420.535 1.859 40 0 HDABHN CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)n[nH]2)cc1 ZINC000257216040 568780890 /nfs/dbraw/zinc/78/08/90/568780890.db2.gz CSVVXHLPRFNZAL-NJDAHSKKSA-N 0 3 414.506 1.772 40 0 HDABHN C[C@]1(C(=O)N2CCOCC2)CCCN(CC(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000257272415 568796368 /nfs/dbraw/zinc/79/63/68/568796368.db2.gz NCIFWXQSLGTQGY-QFIPXVFZSA-N 0 3 413.522 1.183 40 0 HDABHN O=C(COc1ccc(CN2CCCC2)cc1)NC[C@]1(O)CCN(c2cnccn2)C1 ZINC000257278071 568798039 /nfs/dbraw/zinc/79/80/39/568798039.db2.gz OARMBFUFPDAYPH-JOCHJYFZSA-N 0 3 411.506 1.209 40 0 HDABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCCN(C)C)c3)C2)ncn1 ZINC000257297989 568804036 /nfs/dbraw/zinc/80/40/36/568804036.db2.gz RJQKEIWRDSAPNN-QFIPXVFZSA-N 0 3 413.522 1.439 40 0 HDABHN CN1CCn2c(C(=O)NC[C@H]3CCCO3)nnc2C12CCN(Cc1ccccc1)CC2 ZINC000306133200 568895448 /nfs/dbraw/zinc/89/54/48/568895448.db2.gz MEUKBPAYQYAHCN-LJQANCHMSA-N 0 3 424.549 1.624 40 0 HDABHN O=S1(=O)C[C@H](O)[C@H](N(CCNCc2cccc(F)c2)Cc2ccccc2F)C1 ZINC000575420870 569025771 /nfs/dbraw/zinc/02/57/71/569025771.db2.gz KQIFXRRTZIGHDX-UXHICEINSA-N 0 3 410.486 1.715 40 0 HDABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1 ZINC000575426241 569027025 /nfs/dbraw/zinc/02/70/25/569027025.db2.gz PFHPTXOEOUVWBA-MRXNPFEDSA-N 0 3 418.581 1.605 40 0 HDABHN Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CN3CCCCC3)C2)cnn1C ZINC000017089011 569345132 /nfs/dbraw/zinc/34/51/32/569345132.db2.gz AOJJZRHGOINSCQ-WBVHZDCISA-N 0 3 411.572 1.120 40 0 HDABHN CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@@H](NCc2cnn(C)c2)CN(C)C(=O)C1 ZINC000096113481 291193869 /nfs/dbraw/zinc/19/38/69/291193869.db2.gz BZDGBVLQPXNAEF-WOJBJXKFSA-N 0 3 412.538 1.581 40 0 biogenic,in-vitro HDABHN COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)cn1 ZINC000035425664 291195158 /nfs/dbraw/zinc/19/51/58/291195158.db2.gz FNHZJPYNDQQHET-INIZCTEOSA-N 0 3 400.483 1.948 40 0 biogenic,in-vitro HDABHN O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)N1CCN(C2CCCC2)CC1 ZINC000019751392 558271478 /nfs/dbraw/zinc/27/14/78/558271478.db2.gz BOTNZFHZINBYIN-UHFFFAOYSA-N 0 3 422.529 1.865 40 0 HDABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000012366195 558388305 /nfs/dbraw/zinc/38/83/05/558388305.db2.gz WGQMVBMXXAFUJO-KRWDZBQOSA-N 0 3 403.504 1.228 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc(C)cc1 ZINC000020674601 558399297 /nfs/dbraw/zinc/39/92/97/558399297.db2.gz DFZGOBGVILKBJM-DLBZAZTESA-N 0 3 416.478 1.475 40 0 HDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801585 558415301 /nfs/dbraw/zinc/41/53/01/558415301.db2.gz SEKAKXHMSUWHSZ-VQTJNVASSA-N 0 3 421.501 1.918 40 0 HDABHN COc1ccc2c(c1)c(CN1CCCC[C@@H]1CN1CCOCC1)cn2CC(N)=O ZINC000022863403 558517796 /nfs/dbraw/zinc/51/77/96/558517796.db2.gz MESHKEGKWYDJGY-GOSISDBHSA-N 0 3 400.523 1.822 40 0 HDABHN CN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000054147969 558866525 /nfs/dbraw/zinc/86/65/25/558866525.db2.gz YDWCANBECWJWTN-UHFFFAOYSA-N 0 3 404.330 1.280 40 0 HDABHN CCn1cc(CN2CCC(C(N)=O)(N3CCOCC3)CC2)c2cc(OC)ccc21 ZINC000019659280 558950666 /nfs/dbraw/zinc/95/06/66/558950666.db2.gz FXURVLRHIUYFHI-UHFFFAOYSA-N 0 3 400.523 1.822 40 0 HDABHN COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)CN3CCCCCC3)nc21 ZINC000072370971 558957366 /nfs/dbraw/zinc/95/73/66/558957366.db2.gz CHTAWEZFRLCQSS-UHFFFAOYSA-N 0 3 417.554 1.935 40 0 HDABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](CN4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103392 559026598 /nfs/dbraw/zinc/02/65/98/559026598.db2.gz GCUGFFVTGUQZRY-SFTDATJTSA-N 0 3 401.551 1.759 40 0 HDABHN O=C(c1ccccn1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036345 559089923 /nfs/dbraw/zinc/08/99/23/559089923.db2.gz DBRXKVHMCGSSSK-QHCPKHFHSA-N 0 3 405.502 1.721 40 0 HDABHN Cn1cc(CN2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cn1 ZINC000096056143 559093884 /nfs/dbraw/zinc/09/38/84/559093884.db2.gz CWDOJGQRPVHSNI-UGKGYDQZSA-N 0 3 409.538 1.455 40 0 HDABHN Cn1nc(C(=O)N2CCC[C@]3(C[C@@H](CN4CCN(C)CC4)CO3)C2)c2ccccc21 ZINC000096228446 559102753 /nfs/dbraw/zinc/10/27/53/559102753.db2.gz XSCZASACPLYYQI-MBSDFSHPSA-N 0 3 411.550 1.832 40 0 HDABHN O=C(NC[C@@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccnc3)CC2)O1 ZINC000096243770 559104891 /nfs/dbraw/zinc/10/48/91/559104891.db2.gz UVNKJWBQPHCJQC-OALUTQOASA-N 0 3 411.506 1.463 40 0 HDABHN CCc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCCN(C)C)Cn2ccnc23)o1 ZINC000096243737 559104945 /nfs/dbraw/zinc/10/49/45/559104945.db2.gz KGGDTAMQGNSCBU-LJQANCHMSA-N 0 3 415.538 1.606 40 0 HDABHN Cc1occc1C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251292 559105433 /nfs/dbraw/zinc/10/54/33/559105433.db2.gz AANYUQVZXKAOCW-GCJKJVERSA-N 0 3 413.522 1.764 40 0 HDABHN CN(C)CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)Cc1ccccc1 ZINC000585262261 559110771 /nfs/dbraw/zinc/11/07/71/559110771.db2.gz CIPYIMWLXKPYOL-SCPDWHHUSA-N 0 3 415.509 1.885 40 0 HDABHN OCCOCCOc1ccc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000585271515 559115821 /nfs/dbraw/zinc/11/58/21/559115821.db2.gz ZNUUPXZFIHSIDQ-NRFANRHFSA-N 0 3 405.470 1.339 40 0 HDABHN CNC(=O)[C@@H]1CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCN(S(C)(=O)=O)C1 ZINC000585282776 559120149 /nfs/dbraw/zinc/12/01/49/559120149.db2.gz HUJFHSMKYAVETK-SBHAEUEKSA-N 0 3 423.579 1.015 40 0 HDABHN CC(C)c1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1 ZINC000585290722 559123420 /nfs/dbraw/zinc/12/34/20/559123420.db2.gz VKXOSTXVSQFFIR-RTWAWAEBSA-N 0 3 404.532 1.696 40 0 HDABHN O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2(c3ccc(Cl)cc3)CC2)C1 ZINC000585290910 559123575 /nfs/dbraw/zinc/12/35/75/559123575.db2.gz HGQCVWZEKLPFAO-QUCCMNQESA-N 0 3 422.934 1.715 40 0 HDABHN O=C(c1cccnc1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952845 559124863 /nfs/dbraw/zinc/12/48/63/559124863.db2.gz LINDEMUBVBCGNJ-HSZRJFAPSA-N 0 3 405.502 1.721 40 0 HDABHN CN1CCC(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)CC1 ZINC000113939149 559182334 /nfs/dbraw/zinc/18/23/34/559182334.db2.gz NGQSFDHJVXMPAF-HXUWFJFHSA-N 0 3 415.515 1.853 40 0 HDABHN Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCCn4cccn4)cc3)C2)ncn1 ZINC000257325654 559283176 /nfs/dbraw/zinc/28/31/76/559283176.db2.gz WTVANTGGYNXWLN-JOCHJYFZSA-N 0 3 408.506 1.792 40 0 HDABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000257242276 559284256 /nfs/dbraw/zinc/28/42/56/559284256.db2.gz IBTRJHUJTXQIQF-QFIPXVFZSA-N 0 3 416.522 1.328 40 0 HDABHN CC(C)(C)OC(=O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CCN1CCC[C@H]1C(N)=O ZINC000020462854 560093166 /nfs/dbraw/zinc/09/31/66/560093166.db2.gz KPEPLLXDXBCSDW-BZSNNMDCSA-N 0 3 407.555 1.933 40 0 biogenic,in-vitro HDABHN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCN(C)C)Oc3ccccc32)cc1 ZINC000010111647 560763780 /nfs/dbraw/zinc/76/37/80/560763780.db2.gz HOPCPPSQSXUZTG-LJQANCHMSA-N 0 3 403.504 1.629 40 0 HDABHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)c(I)c1 ZINC000225027234 568609935 /nfs/dbraw/zinc/60/99/35/568609935.db2.gz JZHYUNMZDBGFBV-UHFFFAOYSA-N 0 3 401.292 1.967 40 0 HDABHN Cc1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257223849 568783095 /nfs/dbraw/zinc/78/30/95/568783095.db2.gz DZESHSKTXYEGBA-VXKWHMMOSA-N 0 3 413.566 1.724 40 0 HDABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3cc(C)nc(N)n3)CC2)cc1 ZINC000257286456 568800467 /nfs/dbraw/zinc/80/04/67/568800467.db2.gz PLQQDMNOJHOIGZ-JOCHJYFZSA-N 0 3 413.522 1.865 40 0 HDABHN CCCCc1cc(C(=O)N2CCC[C@@](O)(CN3CCN(C(C)=O)CC3)CC2)n[nH]1 ZINC000257303851 568805630 /nfs/dbraw/zinc/80/56/30/568805630.db2.gz SIZWAFAESYJILB-NRFANRHFSA-N 0 3 405.543 1.274 40 0 HDABHN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCNCC2)cc1 ZINC000226851367 568824545 /nfs/dbraw/zinc/82/45/45/568824545.db2.gz JBVCCZBXNUEKDK-UHFFFAOYSA-N 0 3 401.535 1.097 40 0 HDABHN COCCN1CC[C@@]2(CCn3cc(C(=O)NCc4cccc(Cl)c4)c(=O)nc32)C1 ZINC000306132265 568894393 /nfs/dbraw/zinc/89/43/93/568894393.db2.gz LDDIIXSRZGZJJZ-OAQYLSRUSA-N 0 3 416.909 1.820 40 0 HDABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cnn(C)c3)CC1)COC2 ZINC000306135570 568897462 /nfs/dbraw/zinc/89/74/62/568897462.db2.gz OUXSSBHFLYHZCA-HNNXBMFYSA-N 0 3 401.515 1.353 40 0 HDABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306135560 568897472 /nfs/dbraw/zinc/89/74/72/568897472.db2.gz OURQWSPWHVWCNV-OALUTQOASA-N 0 3 418.501 1.916 40 0 HDABHN CN(C)CCN1C[C@@H]2N(S(=O)(=O)C3CC3)CC[C@]2(c2ccccc2)CCC1=O ZINC000306140805 568902511 /nfs/dbraw/zinc/90/25/11/568902511.db2.gz VENARROVUKKBTQ-FPOVZHCZSA-N 0 3 405.564 1.675 40 0 HDABHN Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4cnn(C)c4)CC3)O2)cc1 ZINC000306141949 568903470 /nfs/dbraw/zinc/90/34/70/568903470.db2.gz WLEOPOJBUBNMPB-OAQYLSRUSA-N 0 3 411.550 1.710 40 0 HDABHN COC(=O)c1ccc(OC)c(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c1 ZINC000328969963 568970554 /nfs/dbraw/zinc/97/05/54/568970554.db2.gz DHMMBXCPCWUILN-UHFFFAOYSA-N 0 3 413.400 1.852 40 0 HDABHN O=C(C1CC1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699401 569346919 /nfs/dbraw/zinc/34/69/19/569346919.db2.gz FECRLNSTDUCPBN-LJQANCHMSA-N 0 3 410.518 1.974 40 0 HDABHN COc1cccc(C(=O)N2CCC(N3C(=O)NC4(CCN(C)CC4)C3=O)CC2)c1 ZINC000019699473 569346941 /nfs/dbraw/zinc/34/69/41/569346941.db2.gz XTJHRODCLOXQAZ-UHFFFAOYSA-N 0 3 400.479 1.316 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O ZINC000019699810 569347073 /nfs/dbraw/zinc/34/70/73/569347073.db2.gz OWYCBFYJPBILLU-QGZVFWFLSA-N 0 3 416.497 1.766 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O ZINC000019699811 569347083 /nfs/dbraw/zinc/34/70/83/569347083.db2.gz OWYCBFYJPBILLU-KRWDZBQOSA-N 0 3 416.497 1.766 40 0 HDABHN CC(=O)N1CCC(N2CCC(O)(c3csc(CN4CCOCC4)n3)CC2)CC1 ZINC000225423693 291190244 /nfs/dbraw/zinc/19/02/44/291190244.db2.gz ADVCCSCUGMZPQQ-UHFFFAOYSA-N 0 3 408.568 1.270 40 0 biogenic,in-vitro HDABHN CC(=O)N1CCC(N2CCC(O)(c3csc(CN4CCN(C)CC4)n3)CC2)CC1 ZINC000225424822 291190257 /nfs/dbraw/zinc/19/02/57/291190257.db2.gz ZWOUPDLOSCWKOV-UHFFFAOYSA-N 0 3 421.611 1.185 40 0 biogenic,in-vitro HDABHN COC(=O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2OC)nn1 ZINC000008299851 291194853 /nfs/dbraw/zinc/19/48/53/291194853.db2.gz OJPRDSQEFMYPHJ-UAGQMJEPSA-N 0 3 413.478 1.100 40 0 biogenic,in-vitro HDABHN COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21 ZINC000035442319 291195584 /nfs/dbraw/zinc/19/55/84/291195584.db2.gz QXWKNYPRUBIDQG-BQJUDKOJSA-N 0 3 414.550 1.135 40 0 biogenic,in-vitro HDABHN COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)O)nn1 ZINC000008298270 291197322 /nfs/dbraw/zinc/19/73/22/291197322.db2.gz DMUJHHHXLJFQQV-NXHRZFHOSA-N 0 3 413.522 1.541 40 0 biogenic,in-vitro HDABHN COc1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCCCC4)N3C2)cc1 ZINC000022922313 291196783 /nfs/dbraw/zinc/19/67/83/291196783.db2.gz ONVCXRORGQESLY-ZVDOUQERSA-N 0 3 414.550 1.519 40 0 biogenic,in-vitro HDABHN CN(C[C@H]1CCN(C)C1)C(=O)c1cccnc1N1CCN(C(=O)c2ccco2)CC1 ZINC000012181174 132356022 /nfs/dbraw/zinc/35/60/22/132356022.db2.gz OBFFXLZQNMQAKF-KRWDZBQOSA-N 0 3 411.506 1.661 40 0 HDABHN COCCn1c2nc([C@@H]3CCCN(Cc4ccncc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743047 558263345 /nfs/dbraw/zinc/26/33/45/558263345.db2.gz BUDJYSOQMATDCB-QGZVFWFLSA-N 0 3 409.490 1.516 40 0 HDABHN CN(C)Cc1ccc(CNC(=O)C2CN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000019747565 558267206 /nfs/dbraw/zinc/26/72/06/558267206.db2.gz AMCOYSULNAHGOK-UHFFFAOYSA-N 0 3 405.495 1.824 40 0 HDABHN CN1CCC[C@@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)C1 ZINC000019750977 558271021 /nfs/dbraw/zinc/27/10/21/558271021.db2.gz UNUSIWHFDDNUBD-GOSISDBHSA-N 0 3 400.454 1.128 40 0 HDABHN CCN(CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)C3CC3)C[C@H]2C1=O ZINC000012407385 558398446 /nfs/dbraw/zinc/39/84/46/558398446.db2.gz BOHNFGOVTIOEKO-MBSDFSHPSA-N 0 3 412.534 1.732 40 0 HDABHN Cc1ccc(Cl)cc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022935016 558526147 /nfs/dbraw/zinc/52/61/47/558526147.db2.gz NYQJYDIBJKSGEA-UHFFFAOYSA-N 0 3 416.975 1.168 40 0 HDABHN CCOC(=O)CNC(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O ZINC000019530526 558911536 /nfs/dbraw/zinc/91/15/36/558911536.db2.gz MYRNYGYPVLMCPP-INIZCTEOSA-N 0 3 417.506 1.362 40 0 HDABHN COc1cccc(OC)c1C[N@@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1 ZINC000019567113 558926539 /nfs/dbraw/zinc/92/65/39/558926539.db2.gz CIWINHSHZGFFEY-UHFFFAOYSA-N 0 3 400.479 1.225 40 0 HDABHN COc1cccc(OC)c1C[N@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1 ZINC000019567113 558926540 /nfs/dbraw/zinc/92/65/40/558926540.db2.gz CIWINHSHZGFFEY-UHFFFAOYSA-N 0 3 400.479 1.225 40 0 HDABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cnccn4)CC3)ccc21 ZINC000019572506 558930652 /nfs/dbraw/zinc/93/06/52/558930652.db2.gz XJTZHQYHVQYXOT-LJQANCHMSA-N 0 3 417.535 1.044 40 0 HDABHN CN(C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334426 558935578 /nfs/dbraw/zinc/93/55/78/558935578.db2.gz HKMRFQNJMATGRM-RDPSFJRHSA-N 0 3 422.529 1.357 40 0 HDABHN CN1CCCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000072373055 558960818 /nfs/dbraw/zinc/96/08/18/558960818.db2.gz GBFASEBRIHOLAN-SFHVURJKSA-N 0 3 401.555 1.313 40 0 HDABHN COc1ncc(CN2C[C@@H](C(=O)NCc3ccon3)C3(C2)CCOCC3)cc1C ZINC000585101985 559025174 /nfs/dbraw/zinc/02/51/74/559025174.db2.gz QIBPFDLJWJQHMH-SFHVURJKSA-N 0 3 400.479 1.932 40 0 HDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585103778 559025815 /nfs/dbraw/zinc/02/58/15/559025815.db2.gz JOCFOMNJFNQLIN-UXHICEINSA-N 0 3 408.564 1.844 40 0 HDABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](CN4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103390 559026640 /nfs/dbraw/zinc/02/66/40/559026640.db2.gz GCUGFFVTGUQZRY-RTWAWAEBSA-N 0 3 401.551 1.759 40 0 HDABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O ZINC000585107381 559027806 /nfs/dbraw/zinc/02/78/06/559027806.db2.gz UKCXSCFIHIRQDC-URXFXBBRSA-N 0 3 422.529 1.409 40 0 HDABHN O=C(c1cnccn1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096062600 559094248 /nfs/dbraw/zinc/09/42/48/559094248.db2.gz ITNGDWSWMVUZMB-QFIPXVFZSA-N 0 3 406.490 1.116 40 0 HDABHN O=C(c1ccncn1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096262535 559106506 /nfs/dbraw/zinc/10/65/06/559106506.db2.gz WOCYMMNWRJXBLI-QFIPXVFZSA-N 0 3 406.490 1.116 40 0 HDABHN CN1CCN(C(=O)c2ccc3nnc([C@H]4CCN(Cc5cccnc5)C4)n3c2)CC1 ZINC000096267563 559108156 /nfs/dbraw/zinc/10/81/56/559108156.db2.gz ICGMTGLHLZAYIZ-SFHVURJKSA-N 0 3 405.506 1.501 40 0 HDABHN CC(=O)N1CCN(CC2(O)CCOCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282625 559120144 /nfs/dbraw/zinc/12/01/44/559120144.db2.gz LUECJWIDWKSAQI-JOCHJYFZSA-N 0 3 406.523 1.119 40 0 HDABHN CN(CCc1ccccn1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286439 559121965 /nfs/dbraw/zinc/12/19/65/559121965.db2.gz ZSNMUQOJRZBRSP-PZJWPPBQSA-N 0 3 403.910 1.847 40 0 HDABHN CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCCCO)cc2)[C@H](O)C1 ZINC000257238375 559284089 /nfs/dbraw/zinc/28/40/89/559284089.db2.gz HKSDJHXULBMNAI-BHIYHBOVSA-N 0 3 410.511 1.269 40 0 HDABHN O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccncc1 ZINC000020463769 560092893 /nfs/dbraw/zinc/09/28/93/560092893.db2.gz ZGAFQFNSHFVCQI-ZSXJVMONSA-N 0 3 409.530 1.979 40 0 biogenic,in-vitro HDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242495348 568734845 /nfs/dbraw/zinc/73/48/45/568734845.db2.gz GCKMDJHWZZIJJL-NLWGTHIKSA-N 0 3 403.456 1.863 40 0 HDABHN Cn1ccnc1-c1cnc(C[C@@H]2CCN(C3CCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000257212305 568779854 /nfs/dbraw/zinc/77/98/54/568779854.db2.gz CCTKQJBCRJGGFQ-HNNXBMFYSA-N 0 3 404.540 1.166 40 0 HDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)Cc3cccnc3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257237026 568786720 /nfs/dbraw/zinc/78/67/20/568786720.db2.gz HEWFBRUQQSPSMW-SCPDWHHUSA-N 0 3 411.502 1.794 40 0 HDABHN O=C(CNC(=O)c1ccccc1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257249540 568790125 /nfs/dbraw/zinc/79/01/25/568790125.db2.gz JIVDJNFXNPCEQQ-HXUWFJFHSA-N 0 3 409.477 1.891 40 0 HDABHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(C)[C@@H]2C1 ZINC000257256787 568792010 /nfs/dbraw/zinc/79/20/10/568792010.db2.gz KMXPPFOKBJFOMY-XFKSJGNHSA-N 0 3 412.490 1.046 40 0 HDABHN COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3cc(C)nc(=O)[n-]3)CC2)cc1 ZINC000257326483 568812156 /nfs/dbraw/zinc/81/21/56/568812156.db2.gz WXJGBGYITMANMS-QFIPXVFZSA-N 0 3 414.506 1.988 40 0 HDABHN COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3cc(C)nc(=O)[n-]3)CC2)cc1 ZINC000257326483 568812158 /nfs/dbraw/zinc/81/21/58/568812158.db2.gz WXJGBGYITMANMS-QFIPXVFZSA-N 0 3 414.506 1.988 40 0 HDABHN CN1c2nn(-c3ccccc3)c(=O)c(=O)n2CC12CCN(Cc1cccnc1)CC2 ZINC000306127339 568890186 /nfs/dbraw/zinc/89/01/86/568890186.db2.gz FWDBDHKEVJJAND-UHFFFAOYSA-N 0 3 404.474 1.274 40 0 HDABHN CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2CC2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306128102 568890956 /nfs/dbraw/zinc/89/09/56/568890956.db2.gz GQDGSHSPUNCYLH-TZIWHRDSSA-N 0 3 405.564 1.829 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O ZINC000019699558 569347007 /nfs/dbraw/zinc/34/70/07/569347007.db2.gz MZDXPICHFHELTQ-UHFFFAOYSA-N 0 3 416.497 1.766 40 0 HDABHN CN(C)CCN(C)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]1O ZINC000022922211 291193073 /nfs/dbraw/zinc/19/30/73/291193073.db2.gz ZEZIYHSFQYOQAH-HSFUPAIVSA-N 0 3 419.444 1.021 40 0 biogenic,in-vitro HDABHN COc1ccc([C@H](NCCn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000005116633 557637153 /nfs/dbraw/zinc/63/71/53/557637153.db2.gz PSXHWYTZGBOTRY-LJQANCHMSA-N 0 3 419.485 1.822 40 0 HDABHN CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 ZINC000005147904 557637853 /nfs/dbraw/zinc/63/78/53/557637853.db2.gz SZQAKRVJVOAICR-UHFFFAOYSA-N 0 3 410.522 1.702 40 0 HDABHN CS(=O)(=O)N(CCCC(=O)NCCN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000408704885 557730216 /nfs/dbraw/zinc/73/02/16/557730216.db2.gz VCNYSGOOUMDFKG-UHFFFAOYSA-N 0 3 411.524 1.564 40 0 HDABHN C[C@H](C(=O)NCCN1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703972 557731351 /nfs/dbraw/zinc/73/13/51/557731351.db2.gz HQZHWQPHUHTKPO-OAHLLOKOSA-N 0 3 411.524 1.214 40 0 HDABHN CCn1c2ccc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)cc2n(CC)c1=O ZINC000019719648 558258258 /nfs/dbraw/zinc/25/82/58/558258258.db2.gz BZKUFQLZNRVMDQ-INIZCTEOSA-N 0 3 417.535 1.483 40 0 HDABHN CN1CCC(NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)CC1 ZINC000019751354 558271258 /nfs/dbraw/zinc/27/12/58/558271258.db2.gz ACBUIFLDLMEWST-UHFFFAOYSA-N 0 3 400.454 1.128 40 0 HDABHN CN1CCC[C@@H](CNC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)C1 ZINC000019751620 558271598 /nfs/dbraw/zinc/27/15/98/558271598.db2.gz FBXRFHRIPKICLM-HNNXBMFYSA-N 0 3 400.454 1.698 40 0 HDABHN Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCN(C)CC2)S(C)(=O)=O)cc1C ZINC000022934987 558526185 /nfs/dbraw/zinc/52/61/85/558526185.db2.gz RWJKYKQZKUCHGH-SFHVURJKSA-N 0 3 410.584 1.212 40 0 HDABHN C[C@@H](C(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1)N1CCCC1 ZINC000019077818 558838459 /nfs/dbraw/zinc/83/84/59/558838459.db2.gz BIGJQHMBQNPUHO-HNNXBMFYSA-N 0 3 418.925 1.888 40 0 HDABHN O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000019346123 558873387 /nfs/dbraw/zinc/87/33/87/558873387.db2.gz GWPQJVRPMOODOZ-SFHVURJKSA-N 0 3 401.486 1.884 40 0 HDABHN CS(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 ZINC000019572723 558930805 /nfs/dbraw/zinc/93/08/05/558930805.db2.gz RXYBMGQIQMHZLQ-HNNXBMFYSA-N 0 3 420.510 1.606 40 0 HDABHN CS(=O)(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 ZINC000019572735 558930858 /nfs/dbraw/zinc/93/08/58/558930858.db2.gz FQCIJJNWGJXOSM-HNNXBMFYSA-N 0 3 420.510 1.606 40 0 HDABHN COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)on1 ZINC000019590235 558940865 /nfs/dbraw/zinc/94/08/65/558940865.db2.gz CNHDVGIOZHEYQE-CYBMUJFWSA-N 0 3 401.467 1.506 40 0 HDABHN COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)on1 ZINC000019590235 558940867 /nfs/dbraw/zinc/94/08/67/558940867.db2.gz CNHDVGIOZHEYQE-CYBMUJFWSA-N 0 3 401.467 1.506 40 0 HDABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](CN4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103382 559026604 /nfs/dbraw/zinc/02/66/04/559026604.db2.gz GCUGFFVTGUQZRY-LEWJYISDSA-N 0 3 401.551 1.759 40 0 HDABHN CCS(=O)(=O)N1CCC2(C[C@@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096052914 559092760 /nfs/dbraw/zinc/09/27/60/559092760.db2.gz JCSGRJMWNUMLHX-QGZVFWFLSA-N 0 3 407.580 1.925 40 0 HDABHN CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)NCCOc2ccccc2)[C@H]1c1ccccc1 ZINC000585261482 559108906 /nfs/dbraw/zinc/10/89/06/559108906.db2.gz DQWTVPUUVSRQBQ-URVUXULASA-N 0 3 410.518 1.413 40 0 HDABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCOCCO)cc2)c1 ZINC000585269708 559115984 /nfs/dbraw/zinc/11/59/84/559115984.db2.gz IHIGEBYTULLREG-LJQANCHMSA-N 0 3 405.491 1.955 40 0 HDABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000585269844 559116173 /nfs/dbraw/zinc/11/61/73/559116173.db2.gz LYNAPJIYZNZHJE-QFIPXVFZSA-N 0 3 416.522 1.328 40 0 HDABHN N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585283524 559120667 /nfs/dbraw/zinc/12/06/67/559120667.db2.gz BLFWJHBRKKZWHC-SEDAZVQISA-N 0 3 423.513 1.493 40 0 HDABHN Cc1cc(N2CC[C@](O)(CNCc3ccc(OCCn4cccn4)cc3)C2)ncn1 ZINC000257325655 559283169 /nfs/dbraw/zinc/28/31/69/559283169.db2.gz WTVANTGGYNXWLN-QFIPXVFZSA-N 0 3 408.506 1.792 40 0 HDABHN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN2CCC[C@@H]2C1 ZINC000019220899 560872113 /nfs/dbraw/zinc/87/21/13/560872113.db2.gz SEABKHQAIUEJCC-YLJYHZDGSA-N 0 3 423.521 1.339 40 0 HDABHN CN1CCN(CCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000022829982 568499808 /nfs/dbraw/zinc/49/98/08/568499808.db2.gz ZBRDEAOIHDSEBX-UHFFFAOYSA-N 0 3 414.547 1.126 40 0 HDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000242495349 568734951 /nfs/dbraw/zinc/73/49/51/568734951.db2.gz GCKMDJHWZZIJJL-QWFCFKBJSA-N 0 3 403.456 1.863 40 0 HDABHN C[NH+]1CCC(NC(=O)c2c([O-])ccc3c2O[C@@H]2C[C@H]4C[C@H](C4(C)C)[C@]2(O)[C@H]3O)CC1 ZINC000257202667 568776842 /nfs/dbraw/zinc/77/68/42/568776842.db2.gz AMUZJPCCGHBYAO-QCUNRYDASA-N 0 3 416.518 1.808 40 0 HDABHN CNCc1cc(NC)nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019760624 568871131 /nfs/dbraw/zinc/87/11/31/568871131.db2.gz RKQDLHRYZAQJKD-OAHLLOKOSA-N 0 3 419.507 1.535 40 0 HDABHN Cc1cccc(CN2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)n1 ZINC000306126007 568888648 /nfs/dbraw/zinc/88/86/48/568888648.db2.gz DJGNUQJHJTVSMS-QHCPKHFHSA-N 0 3 421.476 1.744 40 0 HDABHN CNc1cc(CN(C)C(C)=O)nc(C2CCN(C(=O)CN3CCC[C@@H](C)C3)CC2)n1 ZINC000019710150 569348232 /nfs/dbraw/zinc/34/82/32/569348232.db2.gz FVWHEUVJBDHCOC-MRXNPFEDSA-N 0 3 416.570 1.935 40 0 HDABHN COc1cc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCC(C)CC2)cc(OC)c1 ZINC000020466018 575368697 /nfs/dbraw/zinc/36/86/97/575368697.db2.gz ZKTWFZOIRNIRAR-FUMNGEBKSA-N 0 3 423.510 1.046 40 0 biogenic,in-vitro HDABHN Cn1cc(CNC[C@@]2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)cn1 ZINC000107430428 291199091 /nfs/dbraw/zinc/19/90/91/291199091.db2.gz PNSSWOFPZNZHOJ-SCAQPMJSSA-N 0 3 400.401 1.505 40 0 biogenic,in-vitro HDABHN CN1CCC[C@H](NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 ZINC000019751297 558271323 /nfs/dbraw/zinc/27/13/23/558271323.db2.gz FPCMCTPTAFKHHC-SFHVURJKSA-N 0 3 400.454 1.128 40 0 HDABHN COc1cccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013676282 558564431 /nfs/dbraw/zinc/56/44/31/558564431.db2.gz HSKAFORFAPEIAM-UHFFFAOYSA-N 0 3 405.520 1.877 40 0 HDABHN CN(C)C(=O)[C@H]1CN(CCOc2ccccc2)C[C@@]12COc1ccccc1C(=O)N2 ZINC000019581116 558936587 /nfs/dbraw/zinc/93/65/87/558936587.db2.gz IQBBLHKRDBNUFJ-AUSIDOKSSA-N 0 3 409.486 1.647 40 0 HDABHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)CC1=O ZINC000019582834 558937661 /nfs/dbraw/zinc/93/76/61/558937661.db2.gz JYCPSIRPEONNSV-ZWKOTPCHSA-N 0 3 409.534 1.933 40 0 HDABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1 ZINC000019590254 558940918 /nfs/dbraw/zinc/94/09/18/558940918.db2.gz FYBMTVTYIKOYLW-HNNXBMFYSA-N 0 3 410.474 1.848 40 0 HDABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1 ZINC000019590254 558940919 /nfs/dbraw/zinc/94/09/19/558940919.db2.gz FYBMTVTYIKOYLW-HNNXBMFYSA-N 0 3 410.474 1.848 40 0 HDABHN CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(C(N)=O)cc3)C2)CC1 ZINC000072346261 558943190 /nfs/dbraw/zinc/94/31/90/558943190.db2.gz IIEGMFASKKGAFA-GOSISDBHSA-N 0 3 422.533 1.873 40 0 HDABHN COCCOc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019593808 558944865 /nfs/dbraw/zinc/94/48/65/558944865.db2.gz GQDJTHASICZUND-UHFFFAOYSA-N 0 3 414.506 1.233 40 0 HDABHN COCCOc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019593808 558944866 /nfs/dbraw/zinc/94/48/66/558944866.db2.gz GQDJTHASICZUND-UHFFFAOYSA-N 0 3 414.506 1.233 40 0 HDABHN CNc1nc([C@H]2CCCN2)nc2c1CN(C(=O)CN(C)Cc1ccc(OC)cc1)CC2 ZINC000072372383 558959733 /nfs/dbraw/zinc/95/97/33/558959733.db2.gz GYMGLOYKWDNJMU-HXUWFJFHSA-N 0 3 424.549 1.968 40 0 HDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585103779 559025728 /nfs/dbraw/zinc/02/57/28/559025728.db2.gz JOCFOMNJFNQLIN-VQTJNVASSA-N 0 3 408.564 1.844 40 0 HDABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(S(=O)(=O)CC)CC3)C1=O ZINC000096036485 559090229 /nfs/dbraw/zinc/09/02/29/559090229.db2.gz XXIRJRAFEZCCTA-OAQYLSRUSA-N 0 3 420.579 1.568 40 0 HDABHN CN(C)CCNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096243740 559104953 /nfs/dbraw/zinc/10/49/53/559104953.db2.gz PYXRWJOGYIARHR-LJQANCHMSA-N 0 3 415.513 1.590 40 0 HDABHN COc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1OC ZINC000585291457 559123853 /nfs/dbraw/zinc/12/38/53/559123853.db2.gz PSNLNEOHHHHWLD-GGAORHGYSA-N 0 3 414.502 1.360 40 0 HDABHN Cc1cc(C)n(CCOc2ccc(CN3CC[C@](O)(CN4CCOCC4)C3)cc2)n1 ZINC000257218955 559282202 /nfs/dbraw/zinc/28/22/02/559282202.db2.gz DEZOLSCDCBZZKL-QHCPKHFHSA-N 0 3 414.550 1.848 40 0 HDABHN COCCOc1cc(CN(C)C[C@]2(O)CCN(c3ncccn3)C2)ccc1OC ZINC000257339601 559283445 /nfs/dbraw/zinc/28/34/45/559283445.db2.gz ZCKSJXWPUDHXNL-OAQYLSRUSA-N 0 3 402.495 1.584 40 0 HDABHN COCCOc1cc(CNC[C@@]2(O)CCCN(c3cnccn3)C2)ccc1OC ZINC000257269891 559285075 /nfs/dbraw/zinc/28/50/75/559285075.db2.gz MRVOYFYQGAUICN-NRFANRHFSA-N 0 3 402.495 1.632 40 0 HDABHN COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCN2CCC[C@@H]2C1 ZINC000019220897 560872093 /nfs/dbraw/zinc/87/20/93/560872093.db2.gz SEABKHQAIUEJCC-XLIONFOSSA-N 0 3 423.521 1.339 40 0 HDABHN COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1 ZINC000019593969 560875132 /nfs/dbraw/zinc/87/51/32/560875132.db2.gz PRWSMLJWHZRGEC-FQEVSTJZSA-N 0 3 400.527 1.978 40 0 HDABHN COC(=O)C1=C(CNCCN2CCOCC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020029439 560880254 /nfs/dbraw/zinc/88/02/54/560880254.db2.gz OJQXGYHCFYJSLP-IBGZPJMESA-N 0 3 402.495 1.006 40 0 HDABHN COc1ccc(CCn2nnnc2CN2CCN(C3CCCC3)CC2)cc1OC ZINC000020142397 560881722 /nfs/dbraw/zinc/88/17/22/560881722.db2.gz NBGBJZPXGANNPK-UHFFFAOYSA-N 0 3 400.527 1.993 40 0 HDABHN C[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022829775 568499750 /nfs/dbraw/zinc/49/97/50/568499750.db2.gz DHCLIBQMSFVMPA-HNNXBMFYSA-N 0 3 416.975 1.248 40 0 HDABHN Cn1c2nc(N3CCNCC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000034391192 568698972 /nfs/dbraw/zinc/69/89/72/568698972.db2.gz NIVZGQOLOXPLPJ-UHFFFAOYSA-N 0 3 423.304 1.198 40 0 HDABHN CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000257202694 568776984 /nfs/dbraw/zinc/77/69/84/568776984.db2.gz AMWXYBDGBSJDPD-IBGZPJMESA-N 0 3 423.517 1.400 40 0 HDABHN CN1CCN(C[C@]2(O)CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)CC1 ZINC000257210200 568779186 /nfs/dbraw/zinc/77/91/86/568779186.db2.gz BTQDFRZKCKUINH-QFIPXVFZSA-N 0 3 415.513 1.820 40 0 HDABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)NCc1ccccn1)C2 ZINC000257210654 568779231 /nfs/dbraw/zinc/77/92/31/568779231.db2.gz BVPIDHCJUQBTQU-JRFVFWCSSA-N 0 3 421.545 1.581 40 0 HDABHN Nc1ncnc2c1ncn2[C@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C[C@@H]1O ZINC000257272237 568796171 /nfs/dbraw/zinc/79/61/71/568796171.db2.gz NBOVLQYBJNFETL-ROUUACIJSA-N 0 3 421.505 1.452 40 0 HDABHN CCCCc1cc(C(=O)N2CCC[C@](O)(CN3CCN(C(C)=O)CC3)CC2)n[nH]1 ZINC000257303852 568805727 /nfs/dbraw/zinc/80/57/27/568805727.db2.gz SIZWAFAESYJILB-OAQYLSRUSA-N 0 3 405.543 1.274 40 0 HDABHN CS(=O)(=O)N[C@@H]1CCN(C(=O)CC2CC2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306128099 568890887 /nfs/dbraw/zinc/89/08/87/568890887.db2.gz GQDGSHSPUNCYLH-CTNGQTDRSA-N 0 3 405.564 1.829 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cccs4)C2)C3)cc1 ZINC000306128210 568891230 /nfs/dbraw/zinc/89/12/30/568891230.db2.gz GUJMSZNAUFXSAO-QFIPXVFZSA-N 0 3 424.526 1.972 40 0 HDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CCN(Cc3cccnc3)C1)C2 ZINC000306136045 568897890 /nfs/dbraw/zinc/89/78/90/568897890.db2.gz PHIRCTXZCFFFSC-JOCHJYFZSA-N 0 3 407.449 1.436 40 0 HDABHN Cc1cccc(CN2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)n1 ZINC000306137091 568899007 /nfs/dbraw/zinc/89/90/07/568899007.db2.gz QLHYJAACTYKFJC-HSZRJFAPSA-N 0 3 403.486 1.605 40 0 HDABHN Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccsc3)C2)cs1 ZINC000306143268 568904766 /nfs/dbraw/zinc/90/47/66/568904766.db2.gz XXMGHGWNKNKZKA-IBGZPJMESA-N 0 3 415.544 1.827 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O ZINC000019699829 569347093 /nfs/dbraw/zinc/34/70/93/569347093.db2.gz CNTKJMGBXPXRLJ-INIZCTEOSA-N 0 3 414.506 1.706 40 0 HDABHN CN(Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CC2)nn1)Cc1ccccc1 ZINC000008299306 291193431 /nfs/dbraw/zinc/19/34/31/291193431.db2.gz UHSFBSCCYXLALK-BWAGFHJFSA-N 0 3 408.550 1.899 40 0 biogenic,in-vitro HDABHN CN1[C@@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442407 291193888 /nfs/dbraw/zinc/19/38/88/291193888.db2.gz NHQWEJIQCMLRFQ-ZVDOUQERSA-N 0 3 402.514 1.505 40 0 biogenic,in-vitro HDABHN COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NCc2ccc(OC)cc2)O1 ZINC000030879345 291195180 /nfs/dbraw/zinc/19/51/80/291195180.db2.gz GWNPAHVDTZCLHB-ACRUOGEOSA-N 0 3 424.538 1.205 40 0 biogenic,in-vitro HDABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N3CCOCC3)nn2)cc1 ZINC000008299268 291196215 /nfs/dbraw/zinc/19/62/15/291196215.db2.gz TYTYKIKKVBVMDH-NSHGMRRFSA-N 0 3 411.506 1.523 40 0 biogenic,in-vitro HDABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)CN(C)C)c2=O)cc1 ZINC000004259181 291196506 /nfs/dbraw/zinc/19/65/06/291196506.db2.gz LSYXVHXFZFGYJN-ZWKOTPCHSA-N 0 3 410.518 1.976 40 0 biogenic,in-vitro HDABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1)c1ccco1 ZINC000020503888 291199866 /nfs/dbraw/zinc/19/98/66/291199866.db2.gz VTAIUASQZPAGGI-SLFFLAALSA-N 0 3 409.534 1.937 40 0 biogenic,in-vitro HDABHN COCCn1c2nc([C@H]3CCCN(Cc4ccncc4)C3)ccc2c(=O)n(C)c1=O ZINC000019743049 558263262 /nfs/dbraw/zinc/26/32/62/558263262.db2.gz BUDJYSOQMATDCB-KRWDZBQOSA-N 0 3 409.490 1.516 40 0 HDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ncccn3)CC2)N[C@H]1c1cccc(C)c1 ZINC000020801599 558415313 /nfs/dbraw/zinc/41/53/13/558415313.db2.gz XDUORVAPLBIMFT-MSOLQXFVSA-N 0 3 422.489 1.313 40 0 HDABHN Cc1c(Cl)cccc1N(CC(=O)NCCCN1CCN(C)CC1)S(C)(=O)=O ZINC000022933888 558525483 /nfs/dbraw/zinc/52/54/83/558525483.db2.gz UKXBXBYUUJKLCC-UHFFFAOYSA-N 0 3 416.975 1.168 40 0 HDABHN C[C@@H]1CN(c2nccc([C@@H]3CN(Cc4ccco4)C[C@H]3C(=O)N(C)C)n2)C[C@H](C)O1 ZINC000019497726 558896731 /nfs/dbraw/zinc/89/67/31/558896731.db2.gz YQCSGSRTUREASW-UKBAYJJMSA-N 0 3 413.522 1.987 40 0 HDABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1 ZINC000019590253 558940943 /nfs/dbraw/zinc/94/09/43/558940943.db2.gz FYBMTVTYIKOYLW-OAHLLOKOSA-N 0 3 410.474 1.848 40 0 HDABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)[n-]c(=O)c2C1 ZINC000019590253 558940945 /nfs/dbraw/zinc/94/09/45/558940945.db2.gz FYBMTVTYIKOYLW-OAHLLOKOSA-N 0 3 410.474 1.848 40 0 HDABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@H](C)N1CCCC1=O)C2 ZINC000019710929 558973234 /nfs/dbraw/zinc/97/32/34/558973234.db2.gz AVCVCAUTBGTZSN-AWEZNQCLSA-N 0 3 400.527 1.223 40 0 HDABHN CCS(=O)(=O)NC1CC2(C1)CCN(Cc1ccnc(N3CCOCC3)c1)CC2 ZINC000585103558 559025620 /nfs/dbraw/zinc/02/56/20/559025620.db2.gz PQRLOWAREYPQJC-UHFFFAOYSA-N 0 3 408.568 1.602 40 0 HDABHN O=S(=O)(Cc1ccccc1)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103069 559026405 /nfs/dbraw/zinc/02/64/05/559026405.db2.gz BXASDCIKAJLHPE-HXUWFJFHSA-N 0 3 408.564 1.844 40 0 HDABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1=O ZINC000585107380 559027851 /nfs/dbraw/zinc/02/78/51/559027851.db2.gz UKCXSCFIHIRQDC-QPPBQGQZSA-N 0 3 422.529 1.409 40 0 HDABHN CN(C)CCNC(=O)c1nnc2n1CC[C@]1(CCN(C(=O)c3ccsc3)C1)CC2 ZINC000585106779 559029170 /nfs/dbraw/zinc/02/91/70/559029170.db2.gz GQEAHDFOUTWFGA-HXUWFJFHSA-N 0 3 416.551 1.500 40 0 HDABHN CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCCN(C)C)cc32)n1 ZINC000096156445 559100443 /nfs/dbraw/zinc/10/04/43/559100443.db2.gz HSUGFQUBGBLALV-MRXNPFEDSA-N 0 3 420.539 1.062 40 0 HDABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585287785 559123156 /nfs/dbraw/zinc/12/31/56/559123156.db2.gz RONGFEJFMYNBGK-ICSRJNTNSA-N 0 3 414.449 1.762 40 0 HDABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCCOc2ccccc2)C1 ZINC000585291192 559123652 /nfs/dbraw/zinc/12/36/52/559123652.db2.gz LNXYKFFHPNUKKD-CTNGQTDRSA-N 0 3 404.894 1.485 40 0 HDABHN CCOCCOc1ccc(CN[C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 ZINC000257206231 559282377 /nfs/dbraw/zinc/28/23/77/559282377.db2.gz BCNCFEBELZCTIF-MISYRCLQSA-N 0 3 424.538 1.923 40 0 HDABHN COCCOc1cc(CNC[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OC ZINC000257312642 559282904 /nfs/dbraw/zinc/28/29/04/559282904.db2.gz UOXXSZWNJPDWSU-NRFANRHFSA-N 0 3 402.495 1.550 40 0 HDABHN O=C(COc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1)N1CCCC1 ZINC000257251218 559284617 /nfs/dbraw/zinc/28/46/17/559284617.db2.gz JPWZQEZSCDKDDG-PMACEKPBSA-N 0 3 423.504 1.964 40 0 HDABHN COCCn1ccc(C(=O)N2CC3(C2)CC[C@H](CN(C)Cc2cccnc2)CO3)n1 ZINC000575406008 560547393 /nfs/dbraw/zinc/54/73/93/560547393.db2.gz WOYRNYPXXRKNNN-LJQANCHMSA-N 0 3 413.522 1.678 40 0 HDABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000216230650 568463791 /nfs/dbraw/zinc/46/37/91/568463791.db2.gz YBMHYTHOQOHEKQ-UHFFFAOYSA-N 0 3 405.923 1.699 40 0 HDABHN CN1CCC(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)CC1 ZINC000219402440 568491241 /nfs/dbraw/zinc/49/12/41/568491241.db2.gz CQHBGPWCVBDIGC-SFHVURJKSA-N 0 3 409.552 1.722 40 0 HDABHN O=C(NC[C@]1(O)CCN(c2cnccn2)C1)c1cccc(OCCN2CCCC2)c1 ZINC000257277807 568798049 /nfs/dbraw/zinc/79/80/49/568798049.db2.gz NZMPGECJGJJVRS-JOCHJYFZSA-N 0 3 411.506 1.322 40 0 HDABHN CN1CCC(Cc2ccccc2)(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)CC1 ZINC000257297245 568803580 /nfs/dbraw/zinc/80/35/80/568803580.db2.gz RGMWYHABAIOPON-HSZRJFAPSA-N 0 3 409.534 1.489 40 0 HDABHN O=C(NC[C@@]1(O)CCN(c2cnccn2)C1)c1ccc(OCCN2CCCC2)cc1 ZINC000257308522 568806992 /nfs/dbraw/zinc/80/69/92/568806992.db2.gz TXAPZNFBWXHUPM-QFIPXVFZSA-N 0 3 411.506 1.322 40 0 HDABHN CN(C)CCOc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257325560 568812002 /nfs/dbraw/zinc/81/20/02/568812002.db2.gz WTNAHADDYKYAQQ-QFIPXVFZSA-N 0 3 413.522 1.521 40 0 HDABHN COc1cccc2[nH]c(C(=O)N3CCC[C@@](O)(CN4CCN(C)CC4)CC3)cc21 ZINC000257332094 568813825 /nfs/dbraw/zinc/81/38/25/568813825.db2.gz XVSJDPDXBQCEFL-QFIPXVFZSA-N 0 3 400.523 1.781 40 0 HDABHN Cc1cccc(CN2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)n1 ZINC000306126868 568889773 /nfs/dbraw/zinc/88/97/73/568889773.db2.gz FHLJYXITHMKEBY-JOCHJYFZSA-N 0 3 404.474 1.099 40 0 HDABHN Cc1cccc(CN2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)n1 ZINC000306127764 568890812 /nfs/dbraw/zinc/89/08/12/568890812.db2.gz GGWBTSRDTVJCRW-OAQYLSRUSA-N 0 3 409.515 1.766 40 0 HDABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306133052 568895160 /nfs/dbraw/zinc/89/51/60/568895160.db2.gz MAGLXIXVGYCTFD-JOCHJYFZSA-N 0 3 407.449 1.436 40 0 HDABHN CN(C)C(=O)CN[C@H]1CCCC[C@@]12CN(Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139048 568900917 /nfs/dbraw/zinc/90/09/17/568900917.db2.gz SNZFVBVUHFXVKD-RBBKRZOGSA-N 0 3 412.538 1.459 40 0 HDABHN CN(C)C(=O)CN[C@@H]1CCCC[C@@]12CN(Cc1ccc(-n3ccnn3)cc1)CCO2 ZINC000306139046 568900921 /nfs/dbraw/zinc/90/09/21/568900921.db2.gz SNZFVBVUHFXVKD-IFMALSPDSA-N 0 3 412.538 1.459 40 0 HDABHN COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccoc4)C2)C3)cc1 ZINC000306142302 568904070 /nfs/dbraw/zinc/90/40/70/568904070.db2.gz WVQPHKQFDMERMA-QFIPXVFZSA-N 0 3 408.458 1.503 40 0 HDABHN COC(=O)c1ccc(OC)c(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c1 ZINC000329070959 568975776 /nfs/dbraw/zinc/97/57/76/568975776.db2.gz ZMFKZWWVIFDLPF-UHFFFAOYSA-N 0 3 422.489 1.895 40 0 HDABHN CCN(CC)CC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 ZINC000019695041 569346780 /nfs/dbraw/zinc/34/67/80/569346780.db2.gz WMTYKUHVAQDDCT-SFHVURJKSA-N 0 3 424.549 1.966 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(C)cc3)CC1)C2=O ZINC000019699559 569347055 /nfs/dbraw/zinc/34/70/55/569347055.db2.gz WNDOZAHBWUEVCH-UHFFFAOYSA-N 0 3 412.534 1.935 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3OC)CC1)C2=O ZINC000019699548 569347065 /nfs/dbraw/zinc/34/70/65/569347065.db2.gz QJPYHFRFQMKMJS-UHFFFAOYSA-N 0 3 414.506 1.706 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O ZINC000019699814 569347071 /nfs/dbraw/zinc/34/70/71/569347071.db2.gz IJRXFMKBZHRRLX-LJQANCHMSA-N 0 3 412.534 1.935 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(F)c3)C1)C2=O ZINC000019699914 569347117 /nfs/dbraw/zinc/34/71/17/569347117.db2.gz KLCASSBHUULUDJ-QGZVFWFLSA-N 0 3 402.470 1.837 40 0 HDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O ZINC000019699894 569347166 /nfs/dbraw/zinc/34/71/66/569347166.db2.gz XZTPPYBYLNTFTD-QGZVFWFLSA-N 0 3 414.506 1.706 40 0 HDABHN