smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2OC)ccc1C ZINC000408624486 231086407 /nfs/dbraw/zinc/08/64/07/231086407.db2.gz QKZKAAXDJQFOHR-UHFFFAOYSA-N 0 1 392.477 2.489 40 0 GEABMN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000408602774 529917947 /nfs/dbraw/zinc/91/79/47/529917947.db2.gz IXEJEPHDOKTNEN-ZDUSSCGKSA-N 0 1 378.450 2.318 40 0 GEABMN Cc1cc(C)n2nc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2n1 ZINC000035314058 204167190 /nfs/dbraw/zinc/16/71/90/204167190.db2.gz QIGWYNHBXNINAE-UHFFFAOYSA-N 0 1 378.480 2.346 40 0 GEABMN Cc1ccc(N[C@H](NNC(N)=S)c2c(O)c3cc(C)ccc3[nH]c2=O)cc1 ZINC000005490666 204136209 /nfs/dbraw/zinc/13/62/09/204136209.db2.gz ZETAMHBDZKKCQV-QGZVFWFLSA-N 0 1 383.477 2.299 40 0 GEABMN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)cc1 ZINC000072346144 205329519 /nfs/dbraw/zinc/32/95/19/205329519.db2.gz UOSBPDILARRDLL-CQSZACIVSA-N 0 1 378.436 2.477 40 0 GEABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 ZINC000072360071 205334250 /nfs/dbraw/zinc/33/42/50/205334250.db2.gz KLDNRYPRCLQIDR-MRXNPFEDSA-N 0 1 383.500 2.203 40 0 GEABMN COc1c(C)cccc1C(=O)N1CCC[C@H](c2nnc3n2CCN(C)CC3)C1 ZINC000072370938 205335218 /nfs/dbraw/zinc/33/52/18/205335218.db2.gz SCPKIRDWBOKNLL-INIZCTEOSA-N 0 1 383.496 2.103 40 0 GEABMN O=C(Cc1c[nH]c2ccccc12)N1CCc2nnc([C@H]3CCCCN3)n2CC1 ZINC000072372837 205336972 /nfs/dbraw/zinc/33/69/72/205336972.db2.gz SOOLIWGJMFMSDD-GOSISDBHSA-N 0 1 378.480 2.201 40 0 GEABMN COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nnc2n1CCN(C)C2 ZINC000072374036 205337402 /nfs/dbraw/zinc/33/74/02/205337402.db2.gz APDWSZPJWIZSPA-KRWDZBQOSA-N 0 1 383.496 2.419 40 0 GEABMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000223671126 206004026 /nfs/dbraw/zinc/00/40/26/206004026.db2.gz JZXLKMNROFDGPE-UHFFFAOYSA-N 0 1 397.474 2.376 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CCc2ccccc2)s1 ZINC000225035751 206033586 /nfs/dbraw/zinc/03/35/86/206033586.db2.gz AUQAKECIGRSLEU-GFCCVEGCSA-N 0 1 382.511 2.432 40 0 GEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(F)cc2)s1 ZINC000225128896 206037026 /nfs/dbraw/zinc/03/70/26/206037026.db2.gz SUOINQJNKRASAW-UHFFFAOYSA-N 0 1 386.474 2.183 40 0 GEABMN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1cccnc1 ZINC000257221397 206160692 /nfs/dbraw/zinc/16/06/92/206160692.db2.gz DOWYOYHUOUJRBN-CGXNFDGLSA-N 0 1 381.476 2.247 40 0 GEABMN O=C(CN1CCCC1)N1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257320436 206178026 /nfs/dbraw/zinc/17/80/26/206178026.db2.gz VWUZOMZOHICYMU-HSALFYBXSA-N 0 1 387.499 2.492 40 0 GEABMN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CCC4)CC[C@@H]3N2C)cc1 ZINC000306123192 206195098 /nfs/dbraw/zinc/19/50/98/206195098.db2.gz AGVPRIIBFSVRMK-HOJAQTOUSA-N 0 1 385.508 2.033 40 0 GEABMN O[C@H](COCCOc1ccc(F)cc1)CN1CCN(Cc2ccccc2)CC1 ZINC000041690294 206194712 /nfs/dbraw/zinc/19/47/12/206194712.db2.gz HUOSSUYGKRWQHT-NRFANRHFSA-N 0 1 388.483 2.400 40 0 GEABMN Cn1cc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C(C)(C)C)nc23)cn1 ZINC000306138271 206205449 /nfs/dbraw/zinc/20/54/49/206205449.db2.gz RTVYRKKYNQXUCW-UHFFFAOYSA-N 0 1 382.512 2.127 40 0 GEABMN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306133497 206201709 /nfs/dbraw/zinc/20/17/09/206201709.db2.gz MNHIZMHJQVXFEA-IFMALSPDSA-N 0 1 378.476 2.084 40 0 GEABMN C[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329046041 570214939 /nfs/dbraw/zinc/21/49/39/570214939.db2.gz TZHRKUKDDGCXJJ-LLVKDONJSA-N 0 1 377.286 2.365 40 0 GEABMN O=S(=O)(C1CC1)N1CCC2(C[C@@H](N3CCOCC3)c3ccccc32)CC1 ZINC000096079229 570209918 /nfs/dbraw/zinc/20/99/18/570209918.db2.gz BSEKVHIWWCBGQJ-LJQANCHMSA-N 0 1 376.522 2.289 40 0 GEABMN Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019740872 570212366 /nfs/dbraw/zinc/21/23/66/570212366.db2.gz YGWZWPUHIAYAFS-KRWDZBQOSA-N 0 1 385.512 2.089 40 0 GEABMN OCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000329046979 570214928 /nfs/dbraw/zinc/21/49/28/570214928.db2.gz UDMWGLDJKRSVGN-UHFFFAOYSA-N 0 1 383.157 2.499 40 0 GEABMN CN(Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)NCc1cccnc1)CC2 ZINC000096220876 570219961 /nfs/dbraw/zinc/21/99/61/570219961.db2.gz BFUXETVADCRVHZ-FQEVSTJZSA-N 0 1 395.507 2.442 40 0 GEABMN Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000022523883 570320277 /nfs/dbraw/zinc/32/02/77/570320277.db2.gz MTUOAISMKMAGIN-UHFFFAOYSA-N 0 1 384.461 2.482 40 0 GEABMN CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000223309394 570457739 /nfs/dbraw/zinc/45/77/39/570457739.db2.gz WRKAUWVKVNSHNG-UHFFFAOYSA-N 0 1 395.506 2.290 40 0 GEABMN CC(C)NC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 ZINC000008297964 570527389 /nfs/dbraw/zinc/52/73/89/570527389.db2.gz NMYSQKCNGKXHEO-POAQFYNOSA-N 0 1 383.496 2.092 40 0 biogenic,in-vitro GEABMN CN1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000020151132 570942471 /nfs/dbraw/zinc/94/24/71/570942471.db2.gz YJXXVJCLYQHMBN-UHFFFAOYSA-N 0 1 379.570 2.385 40 0 GEABMN O=C(Cc1ccc2c(c1)OCCO2)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019345685 570977685 /nfs/dbraw/zinc/97/76/85/570977685.db2.gz FZHOBOBUWDYJIG-SFHVURJKSA-N 0 1 394.475 2.190 40 0 GEABMN CN(C)c1ncccc1CN1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019584116 571014516 /nfs/dbraw/zinc/01/45/16/571014516.db2.gz UJBUXKWYMYQMKF-OAHLLOKOSA-N 0 1 399.520 2.382 40 0 GEABMN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019591547 571019111 /nfs/dbraw/zinc/01/91/11/571019111.db2.gz MNBHPACRFGPLBL-QFIPXVFZSA-N 0 1 389.459 2.293 40 0 GEABMN CN1CCN(c2cc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)ccn2)CC1 ZINC000019654662 571022808 /nfs/dbraw/zinc/02/28/08/571022808.db2.gz IFRWLKFYOYDLMJ-FQEVSTJZSA-N 0 1 395.507 2.050 40 0 GEABMN C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019655314 571023368 /nfs/dbraw/zinc/02/33/68/571023368.db2.gz QDWSKDOLHXPGKV-QGZVFWFLSA-N 0 1 396.491 2.242 40 0 GEABMN NC(=O)CN1CCC[C@H](C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)C1 ZINC000019663755 571027032 /nfs/dbraw/zinc/02/70/32/571027032.db2.gz HAGUAUYUDNREME-INIZCTEOSA-N 0 1 393.915 2.155 40 0 GEABMN CC(C)c1nc(CC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)n[nH]1 ZINC000019666299 571027718 /nfs/dbraw/zinc/02/77/18/571027718.db2.gz HMKUPRQEBXEHDF-UHFFFAOYSA-N 0 1 377.470 2.039 40 0 GEABMN CCOc1cc2c(cc1CN1CCC(c3nnc4n3CCNC4)CC1)O[C@H](C)C2 ZINC000019711175 571035159 /nfs/dbraw/zinc/03/51/59/571035159.db2.gz HSTORMGRJYSRDS-OAHLLOKOSA-N 0 1 397.523 2.483 40 0 GEABMN CC[NH+]1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000026114237 531617713 /nfs/dbraw/zinc/61/77/13/531617713.db2.gz HFQNKKVABPSLBE-UHFFFAOYSA-N 0 1 379.507 2.327 40 0 GEABMN C[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000329063791 532802365 /nfs/dbraw/zinc/80/23/65/532802365.db2.gz XEYLYIKSFFDMFY-NSHDSACASA-N 0 1 377.286 2.365 40 0 GEABMN O=C(CN1CCOCC1)c1cc(Br)cc(Br)c1O ZINC000005749147 204150255 /nfs/dbraw/zinc/15/02/55/204150255.db2.gz HRBCGQJSZKGTGM-UHFFFAOYSA-N 0 1 379.048 2.432 40 0 GEABMN C=Cn1cc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)n1 ZINC000012222876 204385131 /nfs/dbraw/zinc/38/51/31/204385131.db2.gz HKUFWDGZFWDQAR-LJQANCHMSA-N 0 1 387.509 2.234 40 0 GEABMN CCOCc1ccc(C(=O)N2CCC(c3nnc4n3CCN(C)C4)CC2)cc1 ZINC000072372070 205335573 /nfs/dbraw/zinc/33/55/73/205335573.db2.gz JFZOAZWLCAIECC-UHFFFAOYSA-N 0 1 383.496 2.280 40 0 GEABMN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCN(C)C3)cc1F ZINC000072374009 205338002 /nfs/dbraw/zinc/33/80/02/205338002.db2.gz YODOQNVYBIBACI-INIZCTEOSA-N 0 1 393.488 2.087 40 0 GEABMN C[C@@H]1[C@@H](C)CCCN1C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373104 205338602 /nfs/dbraw/zinc/33/86/02/205338602.db2.gz GAXWQFPSCCAMEE-KSZLIROESA-N 0 1 386.540 2.406 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(Cl)cc2)s1 ZINC000223956761 206009323 /nfs/dbraw/zinc/00/93/23/206009323.db2.gz CZAKCNGXTGRXFM-UHFFFAOYSA-N 0 1 388.902 2.451 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)s1 ZINC000224343257 206019419 /nfs/dbraw/zinc/01/94/19/206019419.db2.gz NCBGVRBSWSMMHH-UHFFFAOYSA-N 0 1 398.510 2.195 40 0 GEABMN CCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225614161 206061212 /nfs/dbraw/zinc/06/12/12/206061212.db2.gz XUUVMMSRVRXDGX-UHFFFAOYSA-N 0 1 381.266 2.395 40 0 GEABMN CC(=O)N[C@]12CN(Cc3ccccn3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257212337 206159288 /nfs/dbraw/zinc/15/92/88/206159288.db2.gz CCWRNFFNVOJOSF-DNVJHFABSA-N 0 1 392.503 2.382 40 0 GEABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)COc1ccccn1 ZINC000257300194 206174214 /nfs/dbraw/zinc/17/42/14/206174214.db2.gz RTGWANJHUBYYDO-INIZCTEOSA-N 0 1 385.468 2.419 40 0 GEABMN CCn1cnc2cc(NC(=O)C[C@H]3CCCN(C(=O)C4=NC(=O)NC4)C3)ccc21 ZINC000257320342 206178445 /nfs/dbraw/zinc/17/84/45/206178445.db2.gz VWJJFKUPDJFEFL-CYBMUJFWSA-N 0 1 396.451 2.366 40 0 GEABMN C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000257229324 206162285 /nfs/dbraw/zinc/16/22/85/206162285.db2.gz FXQFTCOQCYFHFX-ZIAGYGMSSA-N 0 1 376.501 2.411 40 0 GEABMN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CCN(Cc1ccoc1)C2 ZINC000306138828 206205668 /nfs/dbraw/zinc/20/56/68/206205668.db2.gz SIJBDXXWMWFXNU-OAQYLSRUSA-N 0 1 398.511 2.024 40 0 GEABMN Cc1ccc(CN2C[C@@H]3CN(Cc4csc(C)n4)S(=O)(=O)[C@@H]3C2)s1 ZINC000306141107 206207919 /nfs/dbraw/zinc/20/79/19/206207919.db2.gz VLLYTARBLFGMEH-CZUORRHYSA-N 0 1 383.564 2.467 40 0 GEABMN COc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cnn(C)c4)C2)OC3)cc1 ZINC000306133145 206201607 /nfs/dbraw/zinc/20/16/07/206201607.db2.gz MDFRMUVUGRGTSK-OAQYLSRUSA-N 0 1 379.464 2.467 40 0 GEABMN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306133500 206201930 /nfs/dbraw/zinc/20/19/30/206201930.db2.gz MNHIZMHJQVXFEA-UNMCSNQZSA-N 0 1 378.476 2.084 40 0 GEABMN COc1cc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc(OC)c1OC ZINC000005045719 220819090 /nfs/dbraw/zinc/81/90/90/220819090.db2.gz FUWMWJKCIGTPRL-QGZVFWFLSA-N 0 1 392.496 2.220 40 0 GEABMN COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC ZINC000113941868 136192215 /nfs/dbraw/zinc/19/22/15/136192215.db2.gz XKIYXHWEKLQFHF-UHFFFAOYSA-N 0 1 391.493 2.256 40 0 GEABMN C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(N3CCCC3)[n-]c(=O)c2C1 ZINC000072347464 222235196 /nfs/dbraw/zinc/23/51/96/222235196.db2.gz SUPCTTYDZPBMDM-OAHLLOKOSA-N 0 1 396.491 2.336 40 0 GEABMN C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nc(N3CCCC3)[n-]c(=O)c2C1 ZINC000072347464 222235199 /nfs/dbraw/zinc/23/51/99/222235199.db2.gz SUPCTTYDZPBMDM-OAHLLOKOSA-N 0 1 396.491 2.336 40 0 GEABMN Cc1cccc(C(=O)Nc2cc3c(cc2N2CCN(C)CC2)n(C)c(=O)n3C)c1 ZINC000408532986 534625681 /nfs/dbraw/zinc/62/56/81/534625681.db2.gz NOUOUPDHAQUZIA-UHFFFAOYSA-N 0 1 393.491 2.190 40 0 GEABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 ZINC000253405408 560040256 /nfs/dbraw/zinc/04/02/56/560040256.db2.gz SGEJPTCNJXWDME-GGAORHGYSA-N 0 1 379.504 2.080 40 0 biogenic,in-vitro GEABMN CCc1n[nH]c(-n2ccc3c(nnc4c(-c5ccccc5)c(CC)nn43)c2=O)n1 ZINC000019821512 570222817 /nfs/dbraw/zinc/22/28/17/570222817.db2.gz HNDLMJQPAXRTCF-UHFFFAOYSA-N 0 1 386.419 2.338 40 0 GEABMN CCc1nc(-n2ccc3c(nnc4c(-c5ccccc5)c(CC)nn43)c2=O)n[nH]1 ZINC000019821512 570222823 /nfs/dbraw/zinc/22/28/23/570222823.db2.gz HNDLMJQPAXRTCF-UHFFFAOYSA-N 0 1 386.419 2.338 40 0 GEABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000019933650 570231306 /nfs/dbraw/zinc/23/13/06/570231306.db2.gz AMHAOJHGLJNEJS-UHFFFAOYSA-N 0 1 396.490 2.281 40 0 GEABMN CCn1c2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2oc1=O ZINC000019936796 570232132 /nfs/dbraw/zinc/23/21/32/570232132.db2.gz CMOMQZQBOQGWFD-UHFFFAOYSA-N 0 1 378.406 2.432 40 0 GEABMN CCN1C[C@@]2(CC1=O)CN(Cc1ccc(OC)cc1)CCN(C(=O)C(C)C)C2 ZINC000097952789 570261578 /nfs/dbraw/zinc/26/15/78/570261578.db2.gz SEDZAVUOPJRRKO-JOCHJYFZSA-N 0 1 387.524 2.234 40 0 GEABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000223305926 570457598 /nfs/dbraw/zinc/45/75/98/570457598.db2.gz ZJQVDOHYNRZRED-UHFFFAOYSA-N 0 1 378.450 2.271 40 0 GEABMN COC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000223328349 570458698 /nfs/dbraw/zinc/45/86/98/570458698.db2.gz FPQQMPPVWIBZNA-UHFFFAOYSA-N 0 1 382.781 2.362 40 0 GEABMN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000019079954 570955895 /nfs/dbraw/zinc/95/58/95/570955895.db2.gz HPILVOPTNAWWBS-OAHLLOKOSA-N 0 1 383.448 2.358 40 0 GEABMN O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019375463 570981922 /nfs/dbraw/zinc/98/19/22/570981922.db2.gz ZPTBINILMWYCFB-PMACEKPBSA-N 0 1 378.476 2.490 40 0 GEABMN O=C1N[C@@]2(CCN(Cc3ccc(CN4CCOCC4)o3)C2)CCc2ccccc21 ZINC000019375244 570982058 /nfs/dbraw/zinc/98/20/58/570982058.db2.gz FDZYCELRHKVGHE-HSZRJFAPSA-N 0 1 395.503 2.433 40 0 GEABMN CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC(=O)N3CCCC3)CC[C@H]21 ZINC000019499188 570991539 /nfs/dbraw/zinc/99/15/39/570991539.db2.gz KKRQAXXXTBTJRR-VAMGGRTRSA-N 0 1 387.499 2.474 40 0 GEABMN COc1cccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1OC ZINC000019568076 571008792 /nfs/dbraw/zinc/00/87/92/571008792.db2.gz GDGNCFRFMGQWIS-UHFFFAOYSA-N 0 1 392.459 2.450 40 0 GEABMN COc1cccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1OC ZINC000019568076 571008794 /nfs/dbraw/zinc/00/87/94/571008794.db2.gz GDGNCFRFMGQWIS-UHFFFAOYSA-N 0 1 392.459 2.450 40 0 GEABMN Cn1c(CCC(=O)N2CCC(CCN3CCOCC3)CC2)nc2ccccc21 ZINC000019717393 571039672 /nfs/dbraw/zinc/03/96/72/571039672.db2.gz BDDHLSSGYQATKT-UHFFFAOYSA-N 0 1 384.524 2.467 40 0 GEABMN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1cnn(C)c1)CC2 ZINC000096061344 571098620 /nfs/dbraw/zinc/09/86/20/571098620.db2.gz ZVKYYFANYCOBQJ-HXUWFJFHSA-N 0 1 382.508 2.417 40 0 GEABMN Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NCCCO)n1 ZINC000328957753 532801208 /nfs/dbraw/zinc/80/12/08/532801208.db2.gz ALINZMPHBRVREG-UHFFFAOYSA-N 0 1 377.286 2.905 40 0 GEABMN C[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000329067263 532802339 /nfs/dbraw/zinc/80/23/39/532802339.db2.gz YHCPMIVXMZHOTJ-NSHDSACASA-N 0 1 377.286 2.365 40 0 GEABMN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)N1CCOCC1 ZINC000005156717 204115108 /nfs/dbraw/zinc/11/51/08/204115108.db2.gz OLFWINCXUYWIGW-NYVOZVTQSA-N 0 1 388.508 2.222 40 0 GEABMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000006316350 204174041 /nfs/dbraw/zinc/17/40/41/204174041.db2.gz KMJWNVPYSROGOI-UHFFFAOYSA-N 0 1 375.494 2.477 40 0 GEABMN Cc1ccc(C(=O)NCCC[NH+](C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000010111453 204330570 /nfs/dbraw/zinc/33/05/70/204330570.db2.gz QPLOKZFLCSOLII-UHFFFAOYSA-N 0 1 375.494 2.477 40 0 GEABMN CCc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000012276700 204388680 /nfs/dbraw/zinc/38/86/80/204388680.db2.gz VXNBGDOBRINYJV-VSOVRNOCSA-N 0 1 395.507 2.031 40 0 GEABMN O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000012290873 204389945 /nfs/dbraw/zinc/38/99/45/204389945.db2.gz SOSVPBSLAVJHPK-UHFFFAOYSA-N 0 1 386.423 2.268 40 0 GEABMN CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CCOc2cccc(F)c2)C1 ZINC000072344739 205329539 /nfs/dbraw/zinc/32/95/39/205329539.db2.gz HUUDCHVMRQNEBC-CQSZACIVSA-N 0 1 388.443 2.426 40 0 GEABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)n1 ZINC000072360072 205334656 /nfs/dbraw/zinc/33/46/56/205334656.db2.gz KLDNRYPRCLQIDR-INIZCTEOSA-N 0 1 383.500 2.203 40 0 GEABMN CN1CCn2c(nnc2C2CCN(C(=O)c3nccc4ccccc43)CC2)C1 ZINC000072372086 205336492 /nfs/dbraw/zinc/33/64/92/205336492.db2.gz UDPLMKNURQKOMP-UHFFFAOYSA-N 0 1 376.464 2.292 40 0 GEABMN CNc1nc([C@@H]2CCCN(Cc3cccnc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000072380056 205340066 /nfs/dbraw/zinc/34/00/66/205340066.db2.gz DMIMIYBQJJDFKT-QGZVFWFLSA-N 0 1 380.496 2.198 40 0 GEABMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000223673214 206003845 /nfs/dbraw/zinc/00/38/45/206003845.db2.gz DABOWASAWGIOGC-UHFFFAOYSA-N 0 1 394.474 2.018 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(C)cc2)s1 ZINC000224867934 206028624 /nfs/dbraw/zinc/02/86/24/206028624.db2.gz NHBYHKDPSNRBRJ-UHFFFAOYSA-N 0 1 386.524 2.017 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(F)cc2)s1 ZINC000225251736 206041618 /nfs/dbraw/zinc/04/16/18/206041618.db2.gz WMFXAIAYIJBIBB-UHFFFAOYSA-N 0 1 386.474 2.183 40 0 GEABMN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000257297937 206174426 /nfs/dbraw/zinc/17/44/26/206174426.db2.gz RJKWUZYEKIPYBE-INIZCTEOSA-N 0 1 393.447 2.119 40 0 GEABMN Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000257305932 206177459 /nfs/dbraw/zinc/17/74/59/206177459.db2.gz SSDNMZCMDPHVDY-HXUWFJFHSA-N 0 1 396.451 2.121 40 0 GEABMN O=C(c1ncccc1[O-])N1CCC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257274923 206170774 /nfs/dbraw/zinc/17/07/74/206170774.db2.gz NNGDIFAVYRGTFL-QFIPXVFZSA-N 0 1 381.476 2.203 40 0 GEABMN O=C(c1ncccc1[O-])N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257274923 206170778 /nfs/dbraw/zinc/17/07/78/206170778.db2.gz NNGDIFAVYRGTFL-QFIPXVFZSA-N 0 1 381.476 2.203 40 0 GEABMN COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)C4CCC4)CC[C@@H]3N2C)cc1 ZINC000306123193 206194695 /nfs/dbraw/zinc/19/46/95/206194695.db2.gz AGVPRIIBFSVRMK-IHPCNDPISA-N 0 1 385.508 2.033 40 0 GEABMN NC(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCC2)C1 ZINC000257328572 206180325 /nfs/dbraw/zinc/18/03/25/206180325.db2.gz XGFVNUHIQLDROJ-FQEVSTJZSA-N 0 1 393.915 2.299 40 0 GEABMN O=C([O-])COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1 ZINC000012122041 221154976 /nfs/dbraw/zinc/15/49/76/221154976.db2.gz BISQFJBWKVLRMD-UHFFFAOYSA-N 0 1 392.415 2.266 40 0 GEABMN Cc1ccc(C(=O)N2CCN3[C@H](CN(Cc4ccccc4)C[C@@]3(C)CO)C2)cc1 ZINC000253403813 560040253 /nfs/dbraw/zinc/04/02/53/560040253.db2.gz QLZYDQSMDMQVPU-VWNXMTODSA-N 0 1 393.531 2.388 40 0 biogenic,in-vitro GEABMN Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCC2)n1 ZINC000329058320 570215547 /nfs/dbraw/zinc/21/55/47/570215547.db2.gz WCCBJYPUYZXIJT-UHFFFAOYSA-N 0 1 387.509 2.350 40 0 GEABMN CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000096268081 570227456 /nfs/dbraw/zinc/22/74/56/570227456.db2.gz POJJGCZTEZYYIJ-LJQANCHMSA-N 0 1 396.539 2.442 40 0 GEABMN CCCNC(=O)c1ccc2nnc([C@H]3CN(CC4CC4)CCN3C(C)C)n2c1 ZINC000096268078 570227693 /nfs/dbraw/zinc/22/76/93/570227693.db2.gz WPWHBPIUFWCOST-GOSISDBHSA-N 0 1 384.528 2.346 40 0 GEABMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000100207768 570264520 /nfs/dbraw/zinc/26/45/20/570264520.db2.gz NPVGNYPQZCUENW-IDVKNYFZSA-N 0 1 391.402 2.257 40 0 GEABMN Cc1ccc(F)c(CN2C[C@H](C(=O)NCC3CCOCC3)[C@H]3OCC[C@H]32)c1 ZINC000108533564 570313062 /nfs/dbraw/zinc/31/30/62/570313062.db2.gz GGSAMWLMHBVDIS-DFQSSKMNSA-N 0 1 376.472 2.266 40 0 GEABMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000034857839 570341906 /nfs/dbraw/zinc/34/19/06/570341906.db2.gz ZXZVNLHYBSEJJL-FZONSQQESA-N 0 1 387.439 2.426 40 0 GEABMN O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(C3CCCC3)C2)C1 ZINC000604381013 570352419 /nfs/dbraw/zinc/35/24/19/570352419.db2.gz BJUVOFIQRBGNLE-LJQANCHMSA-N 0 1 389.927 2.494 40 0 biogenic,in-vitro GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000223005999 570437030 /nfs/dbraw/zinc/43/70/30/570437030.db2.gz VMBZXMXJFIKJQD-SNVBAGLBSA-N 0 1 380.495 2.415 40 0 GEABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000223305245 570457187 /nfs/dbraw/zinc/45/71/87/570457187.db2.gz HUWBOUKCRWSRRU-UHFFFAOYSA-N 0 1 378.450 2.353 40 0 GEABMN COC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 ZINC000223347381 570460934 /nfs/dbraw/zinc/46/09/34/570460934.db2.gz TYHCJPSTDMIFIC-UHFFFAOYSA-N 0 1 396.808 2.372 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCOc2cccc3ccccc32)s1 ZINC000223576698 570472263 /nfs/dbraw/zinc/47/22/63/570472263.db2.gz HDWWCFUFEHLZJO-UHFFFAOYSA-N 0 1 392.462 2.007 40 0 GEABMN O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000225511360 570726467 /nfs/dbraw/zinc/72/64/67/570726467.db2.gz MZYUTEGEJSUYHH-GFCCVEGCSA-N 0 1 379.386 2.277 40 0 GEABMN Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCCN(Cc1c(C)noc1C)C2 ZINC000585104991 570933988 /nfs/dbraw/zinc/93/39/88/570933988.db2.gz XKRKDNOXSHJNGH-FQEVSTJZSA-N 0 1 388.468 2.147 40 0 GEABMN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000585109707 570938195 /nfs/dbraw/zinc/93/81/95/570938195.db2.gz JPCJMILJYWSMTK-JAXLGGSGSA-N 0 1 381.476 2.131 40 0 GEABMN Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccnn4C)[C@H]3C2)n(C)n1 ZINC000585109752 570938305 /nfs/dbraw/zinc/93/83/05/570938305.db2.gz PIAQUCXMOVKTCO-IRFCIJBXSA-N 0 1 390.491 2.162 40 0 GEABMN COc1cc(C)ccc1C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2CC1 ZINC000019134123 570958565 /nfs/dbraw/zinc/95/85/65/570958565.db2.gz FEEMCMHKNXNXAU-UHFFFAOYSA-N 0 1 377.448 2.145 40 0 GEABMN COc1cc(C)ccc1C[N@@H+]1CCc2nc(-c3cnccn3)[n-]c(=O)c2CC1 ZINC000019134123 570958567 /nfs/dbraw/zinc/95/85/67/570958567.db2.gz FEEMCMHKNXNXAU-UHFFFAOYSA-N 0 1 377.448 2.145 40 0 GEABMN Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101341867 570965232 /nfs/dbraw/zinc/96/52/32/570965232.db2.gz ZXZVNLHYBSEJJL-ZQAYVECASA-N 0 1 387.439 2.426 40 0 GEABMN COc1ccccc1[C@@H](CNC(=O)c1cccn2nnnc12)N1CCCCC1 ZINC000019661815 571026229 /nfs/dbraw/zinc/02/62/29/571026229.db2.gz VHMXRRSNZQCUFJ-QGZVFWFLSA-N 0 1 380.452 2.090 40 0 GEABMN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000096036564 571096372 /nfs/dbraw/zinc/09/63/72/571096372.db2.gz WYJKUFBYJWBYCB-NRFANRHFSA-N 0 1 388.512 2.098 40 0 GEABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000012200055 204382355 /nfs/dbraw/zinc/38/23/55/204382355.db2.gz UCKNIDLFXFNJJF-UHFFFAOYSA-N 0 1 390.417 2.158 40 0 GEABMN C=Cn1cc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)n1 ZINC000012222877 204385289 /nfs/dbraw/zinc/38/52/89/204385289.db2.gz HKUFWDGZFWDQAR-IBGZPJMESA-N 0 1 387.509 2.234 40 0 GEABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033904729 204969828 /nfs/dbraw/zinc/96/98/28/204969828.db2.gz RZPNGUHXCJFFNF-UHFFFAOYSA-N 0 1 381.406 2.300 40 0 GEABMN Cc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4cccc(Cl)c4)c3c2=O)n1 ZINC000040398373 205063539 /nfs/dbraw/zinc/06/35/39/205063539.db2.gz WWNZCTHHIHROFQ-UHFFFAOYSA-N 0 1 392.810 2.484 40 0 GEABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1 ZINC000055555939 205149462 /nfs/dbraw/zinc/14/94/62/205149462.db2.gz LNKZIRCIKDUBAB-UHFFFAOYSA-N 0 1 378.450 2.183 40 0 GEABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n[nH]1 ZINC000072371630 205336008 /nfs/dbraw/zinc/33/60/08/205336008.db2.gz XJCQFEMADBAONL-OAHLLOKOSA-N 0 1 395.463 2.403 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000223586122 206003127 /nfs/dbraw/zinc/00/31/27/206003127.db2.gz OGEJEWJHXMPAIH-NSHDSACASA-N 0 1 382.467 2.077 40 0 GEABMN CCOc1ccc([C@H]2[C@H](C(=O)NCCc3cnc[nH]3)CCC(=O)N2CC)cc1 ZINC000257284308 206173247 /nfs/dbraw/zinc/17/32/47/206173247.db2.gz PCDJIOJXDJNDRX-QUCCMNQESA-N 0 1 384.480 2.467 40 0 GEABMN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccncc4)C2)COC3)C[C@@H](C)O1 ZINC000306128655 206198499 /nfs/dbraw/zinc/19/84/99/206198499.db2.gz HHMZNBZDQLMLNQ-YVHKJVDXSA-N 0 1 395.507 2.159 40 0 GEABMN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3nccs3)C[C@@H]1C2 ZINC000306131294 206200339 /nfs/dbraw/zinc/20/03/39/206200339.db2.gz KAOKTEXIHBRCIE-KBPBESRZSA-N 0 1 380.477 2.291 40 0 GEABMN CN(C)CC[N@@H+](C)CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)[O-] ZINC000020462958 560093151 /nfs/dbraw/zinc/09/31/51/560093151.db2.gz NFHJWVLLUQBJCV-ROUUACIJSA-N 0 1 393.503 2.262 40 0 biogenic,in-vitro GEABMN CN(CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)[O-])CC[NH+](C)C ZINC000020462958 560093152 /nfs/dbraw/zinc/09/31/52/560093152.db2.gz NFHJWVLLUQBJCV-ROUUACIJSA-N 0 1 393.503 2.262 40 0 biogenic,in-vitro GEABMN Cc1nc([C@H]2CCCN2C(=O)c2ccn[nH]2)ncc1C(=O)NCc1ccccc1 ZINC000019754729 570216244 /nfs/dbraw/zinc/21/62/44/570216244.db2.gz SAMSANRHEZPZES-GOSISDBHSA-N 0 1 390.447 2.415 40 0 GEABMN Cc1nc([C@@H]2CCCN2C(=O)c2ccn[nH]2)ncc1C(=O)NCc1ccccc1 ZINC000019754727 570216417 /nfs/dbraw/zinc/21/64/17/570216417.db2.gz SAMSANRHEZPZES-SFHVURJKSA-N 0 1 390.447 2.415 40 0 GEABMN CN(C)C(=O)CN1CCC2(CC1)CN(C(=O)c1cccn1C)Cc1ccccc12 ZINC000096242431 570222910 /nfs/dbraw/zinc/22/29/10/570222910.db2.gz PDKPIGWRNGGOES-UHFFFAOYSA-N 0 1 394.519 2.103 40 0 GEABMN CN1CC2(CCN(Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096263475 570226561 /nfs/dbraw/zinc/22/65/61/570226561.db2.gz QFNVTCDSUFUMGH-UHFFFAOYSA-N 0 1 387.505 2.377 40 0 GEABMN O=C(Nc1nnc(S(=O)(=O)NCCc2ccccc2)s1)c1ccccc1 ZINC000223328790 570458492 /nfs/dbraw/zinc/45/84/92/570458492.db2.gz YTOPGGSXUGVRDS-UHFFFAOYSA-N 0 1 388.474 2.311 40 0 GEABMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000015021689 570716160 /nfs/dbraw/zinc/71/61/60/570716160.db2.gz NPVGNYPQZCUENW-QLDGJZPUSA-N 0 1 391.402 2.257 40 0 GEABMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c(OC)c1 ZINC000006728923 570750484 /nfs/dbraw/zinc/75/04/84/570750484.db2.gz MMLNRQGGDFULNF-UHFFFAOYSA-N 0 1 376.434 2.414 40 0 GEABMN CC(C)N(C)C(=O)C1=NO[C@@]2(C1)CCCN(Cc1ncc(C(F)(F)F)[nH]1)C2 ZINC000585101231 570926984 /nfs/dbraw/zinc/92/69/84/570926984.db2.gz PHXRSRXCMVZBON-MRXNPFEDSA-N 0 1 387.406 2.406 40 0 GEABMN CCN1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc(OC)c(OC)c2)CC1 ZINC000019527981 570928294 /nfs/dbraw/zinc/92/82/94/570928294.db2.gz RWPDRRSKJTUEDJ-GOSISDBHSA-N 0 1 388.516 2.172 40 0 GEABMN CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc2c1OCCC2 ZINC000660150301 570935245 /nfs/dbraw/zinc/93/52/45/570935245.db2.gz IBGVQESOGURAKM-KRWDZBQOSA-N 0 1 394.537 2.276 40 0 GEABMN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@]2(CCc3ccccc3O2)CC1 ZINC000019020129 570955250 /nfs/dbraw/zinc/95/52/50/570955250.db2.gz JBTJHRNTKMJDID-DENIHFKCSA-N 0 1 396.491 2.233 40 0 GEABMN C[C@H]1CCC[C@@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022823140 570962311 /nfs/dbraw/zinc/96/23/11/570962311.db2.gz FOOABQKFWPGKMA-UHOSZYNNSA-N 0 1 376.497 2.099 40 0 GEABMN Cn1nc(-c2ccccc2F)cc1CN1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000019288933 570971039 /nfs/dbraw/zinc/97/10/39/570971039.db2.gz BWWWCIQNSAEWOG-FQEVSTJZSA-N 0 1 386.471 2.486 40 0 GEABMN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@](O)(CN2CCOCC2)CC1 ZINC000585183664 571001072 /nfs/dbraw/zinc/00/10/72/571001072.db2.gz NXLKKZOUSMXPDP-NRFANRHFSA-N 0 1 389.471 2.305 40 0 GEABMN Cc1c(CN2CCC(c3cc(C(=O)NCc4ccccn4)on3)CC2)cnn1C ZINC000019553577 571002031 /nfs/dbraw/zinc/00/20/31/571002031.db2.gz MCRAUFOBPSLMIA-UHFFFAOYSA-N 0 1 394.479 2.421 40 0 GEABMN CN(C)c1ncccc1CN1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019584119 571014719 /nfs/dbraw/zinc/01/47/19/571014719.db2.gz UJBUXKWYMYQMKF-HNNXBMFYSA-N 0 1 399.520 2.382 40 0 GEABMN Cc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019703469 571031336 /nfs/dbraw/zinc/03/13/36/571031336.db2.gz BQHNXOWNBBGRLM-UHFFFAOYSA-N 0 1 396.495 2.463 40 0 GEABMN Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]1c1nnc2n1CCN(C)CC2 ZINC000019710655 571034835 /nfs/dbraw/zinc/03/48/35/571034835.db2.gz ZQWZRYDZLDOQJE-QGZVFWFLSA-N 0 1 383.496 2.125 40 0 GEABMN CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(=O)N(C)C)C2 ZINC000096036215 571096202 /nfs/dbraw/zinc/09/62/02/571096202.db2.gz YHMSYIXJSLAPAG-IBGZPJMESA-N 0 1 378.542 2.094 40 0 GEABMN COc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408917623 231131788 /nfs/dbraw/zinc/13/17/88/231131788.db2.gz YNXGMQBMWSFDGX-NTEUORMPSA-N 0 1 385.351 2.032 40 0 GEABMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000004751409 204073065 /nfs/dbraw/zinc/07/30/65/204073065.db2.gz NPVGNYPQZCUENW-QSNWEANLSA-N 0 1 391.402 2.257 40 0 GEABMN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000007597364 204243420 /nfs/dbraw/zinc/24/34/20/204243420.db2.gz IBRFLBSZPFHWTB-ULQDDVLXSA-N 0 1 387.480 2.098 40 0 GEABMN O[C@@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000012292098 204388704 /nfs/dbraw/zinc/38/87/04/204388704.db2.gz CVBNKPKWEXCGKV-KRWDZBQOSA-N 0 1 399.443 2.204 40 0 GEABMN COc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c(OC)c1 ZINC000055558147 205149543 /nfs/dbraw/zinc/14/95/43/205149543.db2.gz WODGVDBIFAJIOI-UHFFFAOYSA-N 0 1 378.450 2.183 40 0 GEABMN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N(C)C)C2)c1 ZINC000072358881 205333543 /nfs/dbraw/zinc/33/35/43/205333543.db2.gz UFRBWYPMNJJLBA-QGZVFWFLSA-N 0 1 381.480 2.370 40 0 GEABMN COc1cc(C)ccc1CN1CCc2nnc([C@@H]3CCCN3C(C)=O)n2CC1 ZINC000072372762 205338451 /nfs/dbraw/zinc/33/84/51/205338451.db2.gz HTJXJRKKKHXCEF-SFHVURJKSA-N 0 1 383.496 2.337 40 0 GEABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 ZINC000223839958 206008045 /nfs/dbraw/zinc/00/80/45/206008045.db2.gz XWLHJCJCYRUDTK-UHFFFAOYSA-N 0 1 393.417 2.378 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)s1 ZINC000224778328 206027070 /nfs/dbraw/zinc/02/70/70/206027070.db2.gz IHWWVSBHADJFIN-UHFFFAOYSA-N 0 1 394.400 2.384 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1 ZINC000225096844 206037477 /nfs/dbraw/zinc/03/74/77/206037477.db2.gz FAWFNDKVDBPJKQ-UHFFFAOYSA-N 0 1 388.902 2.307 40 0 GEABMN O=C(c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC1 ZINC000257215312 206161843 /nfs/dbraw/zinc/16/18/43/206161843.db2.gz CPOJWQCHXKERNR-HNNXBMFYSA-N 0 1 388.493 2.214 40 0 GEABMN CCc1n[nH]c(C(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@@H]34)c2)c1C ZINC000257247815 206166581 /nfs/dbraw/zinc/16/65/81/206166581.db2.gz JAQGLNHEHHQHOC-QSFXBCCZSA-N 0 1 397.479 2.317 40 0 GEABMN CCCn1cc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)cn1 ZINC000257273968 206171020 /nfs/dbraw/zinc/17/10/20/206171020.db2.gz NIYRPPYVPSLYSM-UHFFFAOYSA-N 0 1 384.484 2.272 40 0 GEABMN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccncc1)C[C@H]2c1cccnc1 ZINC000306133499 206201770 /nfs/dbraw/zinc/20/17/70/206201770.db2.gz MNHIZMHJQVXFEA-RBBKRZOGSA-N 0 1 378.476 2.084 40 0 GEABMN CN1CCn2c(nnc2[C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCN3C)C1 ZINC000072373986 136169203 /nfs/dbraw/zinc/16/92/03/136169203.db2.gz KNZBTZMGYYCEAJ-IBGZPJMESA-N 0 1 394.523 2.473 40 0 GEABMN Cc1cc(O)c(-c2ccnc3nc(N4C[C@@H](C)C[C@H](C)C4)[nH]c(=O)c23)c(=O)o1 ZINC000102273527 136189852 /nfs/dbraw/zinc/18/98/52/136189852.db2.gz SPEPFFKFKYLFQI-QWRGUYRKSA-N 0 1 382.420 2.435 40 0 GEABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000408693567 534047320 /nfs/dbraw/zinc/04/73/20/534047320.db2.gz ADMFXYAQBRILQT-UHFFFAOYSA-N 0 1 397.380 2.208 40 0 GEABMN O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccco1 ZINC000020463778 560092897 /nfs/dbraw/zinc/09/28/97/560092897.db2.gz GRWKDZMDBJLBDL-FWKCKQQBSA-N 0 1 398.503 2.177 40 0 biogenic,in-vitro GEABMN COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCCO)cc2)cc1 ZINC000585270494 570239209 /nfs/dbraw/zinc/23/92/09/570239209.db2.gz XVANBVKHJSRQGK-SFHVURJKSA-N 0 1 375.465 2.328 40 0 GEABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1 ZINC000020633951 570273143 /nfs/dbraw/zinc/27/31/43/570273143.db2.gz ODRCMTQSWYESTN-UHFFFAOYSA-N 0 1 388.449 2.391 40 0 GEABMN O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(CN(C3CCCCC3)C2)C1 ZINC000604381980 570353061 /nfs/dbraw/zinc/35/30/61/570353061.db2.gz XKWUETCGYCOFMW-GOSISDBHSA-N 0 1 387.499 2.369 40 0 biogenic,in-vitro GEABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1cnc2sccn2c1=O ZINC000223034750 570438649 /nfs/dbraw/zinc/43/86/49/570438649.db2.gz OHEDVQSMECBGTQ-UHFFFAOYSA-N 0 1 398.473 2.063 40 0 GEABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000032127467 570509900 /nfs/dbraw/zinc/50/99/00/570509900.db2.gz CYMGSXIUFMVACB-UHFFFAOYSA-N 0 1 398.488 2.294 40 0 GEABMN C=C1N=C(SCC(N)=O)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991928 570690561 /nfs/dbraw/zinc/69/05/61/570690561.db2.gz RMWKXTFBZFVQPA-INIZCTEOSA-N 0 1 377.466 2.141 40 0 GEABMN CCN1CCN([C@@H](c2nnnn2C[C@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019528001 570928306 /nfs/dbraw/zinc/92/83/06/570928306.db2.gz ITLPFWRJZHKEOH-QZTJIDSGSA-N 0 1 390.919 2.232 40 0 GEABMN Cc1ccc2c(=O)c(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)c[n-]c2[nH+]1 ZINC000019666359 571027943 /nfs/dbraw/zinc/02/79/43/571027943.db2.gz DFMVBFYRWQGNLX-INIZCTEOSA-N 0 1 378.432 2.448 40 0 GEABMN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccoc1)CC2 ZINC000096036933 571096531 /nfs/dbraw/zinc/09/65/31/571096531.db2.gz MBULPXYGIUHZFB-UHFFFAOYSA-N 0 1 394.479 2.230 40 0 GEABMN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2(N)CO)cc1 ZINC000252514807 645566245 /nfs/dbraw/zinc/56/62/45/645566245.db2.gz DYJSXYNGAQAEKV-GVDBMIGSSA-N 0 1 396.306 2.387 40 0 GEABMN CC(C)NC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707360 291113970 /nfs/dbraw/zinc/11/39/70/291113970.db2.gz IEYGJIBARBKQMA-AWEZNQCLSA-N 0 1 396.407 2.406 40 0 biogenic,in-vitro GEABMN NCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2 ZINC000005679287 204146409 /nfs/dbraw/zinc/14/64/09/204146409.db2.gz DIKQOFRYATYXDV-UHFFFAOYSA-N 0 1 391.221 2.349 40 0 GEABMN COc1cccc(C2(O)CCN(CCNC(=O)c3ccc(N(C)C)cc3)CC2)c1 ZINC000012291011 204389939 /nfs/dbraw/zinc/38/99/39/204389939.db2.gz OEKHVIBPXHUYNG-UHFFFAOYSA-N 0 1 397.519 2.475 40 0 GEABMN Cc1ccc(C2(CN3CCC(NC(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000012337268 204398984 /nfs/dbraw/zinc/39/89/84/204398984.db2.gz RDUIPIVPECFRPK-QGZVFWFLSA-N 0 1 390.549 2.042 40 0 GEABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000044253491 205085517 /nfs/dbraw/zinc/08/55/17/205085517.db2.gz KIJZGPCMDIJLQQ-UHFFFAOYSA-N 0 1 376.390 2.109 40 0 GEABMN COC(=O)CC[C@]1(C(=O)OC)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 ZINC000072340277 205328192 /nfs/dbraw/zinc/32/81/92/205328192.db2.gz ZEVUVDXHPCOHLV-LUQKVYGDSA-N 0 1 389.448 2.114 40 0 GEABMN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)cc1 ZINC000072346145 205329944 /nfs/dbraw/zinc/32/99/44/205329944.db2.gz UOSBPDILARRDLL-AWEZNQCLSA-N 0 1 378.436 2.477 40 0 GEABMN Cc1nnc(Nc2cc([C@H]3CCCN3C(=O)c3cnccn3)nc(C)n2)s1 ZINC000072360270 205334460 /nfs/dbraw/zinc/33/44/60/205334460.db2.gz LBYCNSPXICRBFB-CQSZACIVSA-N 0 1 382.453 2.456 40 0 GEABMN COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000223649220 206004390 /nfs/dbraw/zinc/00/43/90/206004390.db2.gz CNSQUVISDHZBQJ-UHFFFAOYSA-N 0 1 398.510 2.052 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000225194595 206040713 /nfs/dbraw/zinc/04/07/13/206040713.db2.gz WWCCFOXILQQJMY-CYBMUJFWSA-N 0 1 380.495 2.489 40 0 GEABMN c1ccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)nc1 ZINC000306134278 206202723 /nfs/dbraw/zinc/20/27/23/206202723.db2.gz NHNPRXIITRBIFP-KRWDZBQOSA-N 0 1 378.480 2.341 40 0 GEABMN OCCCNc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329022678 534362593 /nfs/dbraw/zinc/36/25/93/534362593.db2.gz OPGUBQWFVBUMAM-UHFFFAOYSA-N 0 1 377.286 2.367 40 0 GEABMN CC(C)(CC(=O)[O-])CC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1 ZINC000015676144 560095632 /nfs/dbraw/zinc/09/56/32/560095632.db2.gz FWUDXOXEMPSNNO-INIZCTEOSA-N 0 1 390.484 2.003 40 0 biogenic,in-vitro GEABMN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)CN(C)C)C2)C3)cc1 ZINC000004237361 560197760 /nfs/dbraw/zinc/19/77/60/560197760.db2.gz KROPLOKWPCYMHL-DOTOQJQBSA-N 0 1 381.476 2.031 40 0 biogenic,in-vitro GEABMN O=C(c1ccn[nH]1)N1CCC[C@@H](c2cncc(-c3noc(C(F)(F)F)n3)n2)C1 ZINC000585290876 570259477 /nfs/dbraw/zinc/25/94/77/570259477.db2.gz XAWUMPWRDKHTPX-SECBINFHSA-N 0 1 393.329 2.288 40 0 GEABMN O=C1CSCN1n1c(=O)c(C=Cc2c(O)ccc3ccccc32)n[nH]c1=S ZINC000005635565 570272226 /nfs/dbraw/zinc/27/22/26/570272226.db2.gz LJMMKJSKACNBPE-VOTSOKGWSA-N 0 1 398.469 2.499 40 0 GEABMN CCOc1cc2c(cc1C[N@H+]1CCc3nc4cc(C)[n-]n4c(=O)c3CC1)OCO2 ZINC000100775113 570277740 /nfs/dbraw/zinc/27/77/40/570277740.db2.gz WKXMLAHQGUTTJU-UHFFFAOYSA-N 0 1 396.447 2.472 40 0 GEABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016024647 570308903 /nfs/dbraw/zinc/30/89/03/570308903.db2.gz FWFOKESFNUMURE-LXGFNCFKSA-N 0 1 387.455 2.391 40 0 GEABMN C[C@H]1CN(C[C@H](O)COCCOc2ccccc2Br)C[C@H](C)O1 ZINC000035088582 570312879 /nfs/dbraw/zinc/31/28/79/570312879.db2.gz SPDURGWUGSBZKH-KKUMJFAQSA-N 0 1 388.302 2.315 40 0 GEABMN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000026833090 570428937 /nfs/dbraw/zinc/42/89/37/570428937.db2.gz CCYVPIMWNDANFF-UHFFFAOYSA-N 0 1 388.489 2.200 40 0 GEABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000006316559 570476889 /nfs/dbraw/zinc/47/68/89/570476889.db2.gz JPJRTAJONUAEJY-UHFFFAOYSA-N 0 1 380.422 2.472 40 0 GEABMN Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c(C)c1 ZINC000225170991 570553686 /nfs/dbraw/zinc/55/36/86/570553686.db2.gz JOFUVAIDTIXZQM-UHFFFAOYSA-N 0 1 398.510 2.107 40 0 GEABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1OC ZINC000013680342 570772852 /nfs/dbraw/zinc/77/28/52/570772852.db2.gz IBDKEVOKFIAOFE-UHFFFAOYSA-N 0 1 394.449 2.263 40 0 GEABMN CC(=O)Nc1ccc(NC(=O)[C@H]2C=C([O-])NC(Nc3ccc(C)cc3)=[NH+]2)cc1 ZINC000013999931 570813635 /nfs/dbraw/zinc/81/36/35/570813635.db2.gz MEHRXWCFIICNJY-QGZVFWFLSA-N 0 1 379.420 2.249 40 0 GEABMN C=C1[NH+]=C(SCC(=O)[O-])N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000033690291 570910269 /nfs/dbraw/zinc/91/02/69/570910269.db2.gz GQSKQCSQQCSCNC-INIZCTEOSA-N 0 1 394.449 2.359 40 0 GEABMN COc1ccc(CN2CCOC[C@@]3(CC(=O)N(Cc4cncs4)C3)C2)cc1 ZINC000585103834 570928891 /nfs/dbraw/zinc/92/88/91/570928891.db2.gz QOQHFAKAHDSUHF-FQEVSTJZSA-N 0 1 387.505 2.403 40 0 GEABMN CCN1CCN([C@H](CC(C)C)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000020141697 570941893 /nfs/dbraw/zinc/94/18/93/570941893.db2.gz SIFIKXUKJRQDAF-QGZVFWFLSA-N 0 1 386.500 2.175 40 0 GEABMN CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3C(C)(C)C3(F)F)cn2)CC1 ZINC000660350210 570953140 /nfs/dbraw/zinc/95/31/40/570953140.db2.gz KBIBEFJOBSKWGB-OAHLLOKOSA-N 0 1 381.471 2.314 40 0 GEABMN CNc1ncccc1CN1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019018426 570954760 /nfs/dbraw/zinc/95/47/60/570954760.db2.gz ZVPLFLDILBAYFH-QGZVFWFLSA-N 0 1 380.496 2.198 40 0 GEABMN C[C@H]1CCC[C@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022823154 570962050 /nfs/dbraw/zinc/96/20/50/570962050.db2.gz FOOABQKFWPGKMA-QXAKKESOSA-N 0 1 376.497 2.099 40 0 GEABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000019288902 570971033 /nfs/dbraw/zinc/97/10/33/570971033.db2.gz ZYJBEWCJBHMSFM-HXUWFJFHSA-N 0 1 386.471 2.486 40 0 GEABMN Cn1nccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N2CCCCCC2)CC1 ZINC000019289094 570971058 /nfs/dbraw/zinc/97/10/58/570971058.db2.gz YSJMPVVFTSXXEY-UHFFFAOYSA-N 0 1 384.484 2.179 40 0 GEABMN O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019375464 570982045 /nfs/dbraw/zinc/98/20/45/570982045.db2.gz ZPTBINILMWYCFB-WOJBJXKFSA-N 0 1 378.476 2.490 40 0 GEABMN CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000019520541 570993994 /nfs/dbraw/zinc/99/39/94/570993994.db2.gz KUXDPGOIARQZDA-ZFWWWQNUSA-N 0 1 379.464 2.453 40 0 GEABMN COc1ccc(OC)c(CC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)c1 ZINC000019551372 571000816 /nfs/dbraw/zinc/00/08/16/571000816.db2.gz HJPPZVJFIZNTPF-IBGZPJMESA-N 0 1 396.491 2.436 40 0 GEABMN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@](O)(CN2CCOCC2)CC1 ZINC000585183665 571001245 /nfs/dbraw/zinc/00/12/45/571001245.db2.gz NXLKKZOUSMXPDP-OAQYLSRUSA-N 0 1 389.471 2.305 40 0 GEABMN Cc1c(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cnn1C ZINC000019553571 571002081 /nfs/dbraw/zinc/00/20/81/571002081.db2.gz IYTVIBIZVZXKLF-QGZVFWFLSA-N 0 1 387.484 2.005 40 0 GEABMN COCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019593088 571019872 /nfs/dbraw/zinc/01/98/72/571019872.db2.gz GTMGGQKUPNWBCT-OAHLLOKOSA-N 0 1 388.512 2.225 40 0 GEABMN C[NH+](C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020049192 531579468 /nfs/dbraw/zinc/57/94/68/531579468.db2.gz RBTYFQFPOZHCOJ-UHFFFAOYSA-N 0 1 381.885 2.432 40 0 GEABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000020491961 531583591 /nfs/dbraw/zinc/58/35/91/531583591.db2.gz PQIGDFQTLQRZNJ-UHFFFAOYSA-N 0 1 384.479 2.183 40 0 GEABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 ZINC000253408330 291116722 /nfs/dbraw/zinc/11/67/22/291116722.db2.gz XLRQKNVCHODDSR-GGAORHGYSA-N 0 1 397.494 2.219 40 0 biogenic,in-vitro GEABMN COc1ccc(CCC(=O)N2CCC(c3nnc4n3CCN(C)C4)CC2)cc1 ZINC000072372088 205335308 /nfs/dbraw/zinc/33/53/08/205335308.db2.gz SYPZXDRGKCBUGS-UHFFFAOYSA-N 0 1 383.496 2.071 40 0 GEABMN Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCN(C)C3)ccc1F ZINC000072373990 205338311 /nfs/dbraw/zinc/33/83/11/205338311.db2.gz QGEFSCWVFXDPLV-MRXNPFEDSA-N 0 1 393.488 2.087 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2)s1 ZINC000224167880 206014606 /nfs/dbraw/zinc/01/46/06/206014606.db2.gz KTJNMEUVXONGGI-UHFFFAOYSA-N 0 1 386.524 2.098 40 0 GEABMN Cc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000224320583 206018002 /nfs/dbraw/zinc/01/80/02/206018002.db2.gz RGFVRCWUSPVKAZ-UHFFFAOYSA-N 0 1 382.511 2.352 40 0 GEABMN O=C(Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1)c1ccccc1 ZINC000224358163 206019397 /nfs/dbraw/zinc/01/93/97/206019397.db2.gz FGUCJYRQRUOLCF-CYZMBNFOSA-N 0 1 378.479 2.257 40 0 GEABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccco2)s1 ZINC000224780583 206028057 /nfs/dbraw/zinc/02/80/57/206028057.db2.gz RUXMDBQVPIQPOL-UHFFFAOYSA-N 0 1 378.435 2.170 40 0 GEABMN Cn1c2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2sc1=O ZINC000225035869 206034773 /nfs/dbraw/zinc/03/47/73/206034773.db2.gz ZWJCOASESHOYES-UHFFFAOYSA-N 0 1 377.447 2.224 40 0 GEABMN CN(C)CC[N@@H+](C)CC[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]1CC(=O)[O-] ZINC000030879455 206081707 /nfs/dbraw/zinc/08/17/07/206081707.db2.gz SRNYPWZKMIFUME-PMACEKPBSA-N 0 1 389.540 2.052 40 0 biogenic,in-vitro GEABMN CN(CC[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]1CC(=O)[O-])CC[NH+](C)C ZINC000030879455 206081710 /nfs/dbraw/zinc/08/17/10/206081710.db2.gz SRNYPWZKMIFUME-PMACEKPBSA-N 0 1 389.540 2.052 40 0 biogenic,in-vitro GEABMN c1c[nH]c(CNC[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)n1 ZINC000096269421 206120798 /nfs/dbraw/zinc/12/07/98/206120798.db2.gz BJDWNVMJVHIZFC-HNNXBMFYSA-N 0 1 381.436 2.123 40 0 biogenic,in-vitro GEABMN O=S(=O)(NC[C@@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@H]12)c1ccccc1 ZINC000245482327 206134256 /nfs/dbraw/zinc/13/42/56/206134256.db2.gz JWOIASXNCHAIBW-KBAYOESNSA-N 0 1 378.519 2.173 40 0 GEABMN COc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccncc4)n[nH]3)C2=O)cc1 ZINC000256055524 206150337 /nfs/dbraw/zinc/15/03/37/206150337.db2.gz JQGPWDSMEMONPX-CQSZACIVSA-N 0 1 381.417 2.300 40 0 GEABMN COCCN1C(=O)CC[C@@H](C(=O)NCCc2cnc[nH]2)[C@@H]1c1ccccc1C ZINC000257301323 206175075 /nfs/dbraw/zinc/17/50/75/206175075.db2.gz RXYJGYCPQRIEQY-QUCCMNQESA-N 0 1 384.480 2.003 40 0 GEABMN CN(C)C(=O)c1cc(C[C@@H]2CCCN(C(=O)c3[nH]nc4ccccc43)C2)ncn1 ZINC000257260032 206167313 /nfs/dbraw/zinc/16/73/13/206167313.db2.gz LBBYXBVENGMSOV-AWEZNQCLSA-N 0 1 392.463 2.150 40 0 GEABMN O=C(NCc1ccccc1)C1=NO[C@]2(C1)COCC[C@H]2NCc1cccs1 ZINC000306122962 206194799 /nfs/dbraw/zinc/19/47/99/206194799.db2.gz AAPTWYCFAROCMW-UYAOXDASSA-N 0 1 385.489 2.458 40 0 GEABMN O=C(CCCc1nc2ccc(F)cc2[nH]1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257341056 206181430 /nfs/dbraw/zinc/18/14/30/206181430.db2.gz ZIRGOVXGFAVVMI-ROUUACIJSA-N 0 1 385.443 2.446 40 0 GEABMN O=S(=O)(NC[C@H]1CO[C@@H]2CN(Cc3ccsc3)C[C@H]12)c1ccccc1 ZINC000306131096 206200519 /nfs/dbraw/zinc/20/05/19/206200519.db2.gz JWOIASXNCHAIBW-CGTJXYLNSA-N 0 1 378.519 2.173 40 0 GEABMN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(N3CCCC3)[n-]c(=O)c2C1 ZINC000072347463 222235533 /nfs/dbraw/zinc/23/55/33/222235533.db2.gz SUPCTTYDZPBMDM-HNNXBMFYSA-N 0 1 396.491 2.336 40 0 GEABMN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nc(N3CCCC3)[n-]c(=O)c2C1 ZINC000072347463 222235537 /nfs/dbraw/zinc/23/55/37/222235537.db2.gz SUPCTTYDZPBMDM-HNNXBMFYSA-N 0 1 396.491 2.336 40 0 GEABMN CN(C)c1ncc(CN2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1 ZINC000019748155 570214266 /nfs/dbraw/zinc/21/42/66/570214266.db2.gz AVDFOPJNLXJZGL-GOSISDBHSA-N 0 1 392.507 2.205 40 0 GEABMN CN1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000096156604 570216472 /nfs/dbraw/zinc/21/64/72/570216472.db2.gz NBEKJQXAYPLOOL-GOSISDBHSA-N 0 1 382.512 2.100 40 0 GEABMN Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763177 570217371 /nfs/dbraw/zinc/21/73/71/570217371.db2.gz YJDNAIHSHGILCX-GOSISDBHSA-N 0 1 399.539 2.213 40 0 GEABMN C[N@@H+](Cc1ccc(OCCCO)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585270513 570239296 /nfs/dbraw/zinc/23/92/96/570239296.db2.gz YGSGGPPJNAIUBB-NRFANRHFSA-N 0 1 389.471 2.055 40 0 GEABMN COC(=O)C(=C(O)C(=O)Nc1cccc(OC)c1)c1cnc2ccccc2n1 ZINC000001629315 570266405 /nfs/dbraw/zinc/26/64/05/570266405.db2.gz FOTPNUOZCOGOTR-KRWDZBQOSA-N 0 1 379.372 2.103 40 0 GEABMN CC(C)(C)CN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381635 570352790 /nfs/dbraw/zinc/35/27/90/570352790.db2.gz ILNDUWFVTFEOST-MRXNPFEDSA-N 0 1 375.488 2.083 40 0 biogenic,in-vitro GEABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)NC)cc1 ZINC000223293182 570456748 /nfs/dbraw/zinc/45/67/48/570456748.db2.gz PRNNTXFSDMNYSZ-JLHYYAGUSA-N 0 1 388.445 2.423 40 0 GEABMN CCc1cc(S(=O)(=O)Nc2cc(C(=O)NC)ccc2OC)ccc1OC ZINC000223689103 570478816 /nfs/dbraw/zinc/47/88/16/570478816.db2.gz HMXIBJJONBPPOS-UHFFFAOYSA-N 0 1 378.450 2.427 40 0 GEABMN COc1ccc(CN2CC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c(OC)c1 ZINC000019018758 570954871 /nfs/dbraw/zinc/95/48/71/570954871.db2.gz MLMQFNBFTGVCOJ-QGZVFWFLSA-N 0 1 396.491 2.388 40 0 GEABMN CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019081376 570956286 /nfs/dbraw/zinc/95/62/86/570956286.db2.gz JDZYAGNSDQXCOB-KRWDZBQOSA-N 0 1 388.512 2.017 40 0 GEABMN CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019081376 570956289 /nfs/dbraw/zinc/95/62/89/570956289.db2.gz JDZYAGNSDQXCOB-KRWDZBQOSA-N 0 1 388.512 2.017 40 0 GEABMN CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019498516 570990990 /nfs/dbraw/zinc/99/09/90/570990990.db2.gz UFHDKHHZTCCOPP-MRXNPFEDSA-N 0 1 396.491 2.475 40 0 GEABMN Cc1nnsc1C(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C ZINC000019563648 571006457 /nfs/dbraw/zinc/00/64/57/571006457.db2.gz ULTYRMVNTQOHEY-UHFFFAOYSA-N 0 1 388.472 2.341 40 0 GEABMN COc1cc(C)c(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)cc1C ZINC000019567377 571008620 /nfs/dbraw/zinc/00/86/20/571008620.db2.gz IGXHJBQRFWSFIY-UHFFFAOYSA-N 0 1 377.448 2.411 40 0 GEABMN COc1cc(C)c(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)cc1C ZINC000019567377 571008622 /nfs/dbraw/zinc/00/86/22/571008622.db2.gz IGXHJBQRFWSFIY-UHFFFAOYSA-N 0 1 377.448 2.411 40 0 GEABMN CN1CCN(c2cc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)ccn2)CC1 ZINC000019654664 571022850 /nfs/dbraw/zinc/02/28/50/571022850.db2.gz IFRWLKFYOYDLMJ-HXUWFJFHSA-N 0 1 395.507 2.050 40 0 GEABMN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(N)CO)cc1 ZINC000252514806 645565993 /nfs/dbraw/zinc/56/59/93/645565993.db2.gz DYJSXYNGAQAEKV-BRWVUGGUSA-N 0 1 396.306 2.387 40 0 GEABMN COc1ccc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cc1CO ZINC000012145353 204375994 /nfs/dbraw/zinc/37/59/94/204375994.db2.gz JSUIZWNGDDWYQP-UHFFFAOYSA-N 0 1 398.507 2.065 40 0 GEABMN CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000012144964 204376033 /nfs/dbraw/zinc/37/60/33/204376033.db2.gz KUXDPGOIARQZDA-DZGCQCFKSA-N 0 1 379.464 2.453 40 0 GEABMN CCn1cncc1CN1CCC(O)(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000012221325 204385466 /nfs/dbraw/zinc/38/54/66/204385466.db2.gz RXGBFADIXFDGIB-UHFFFAOYSA-N 0 1 399.520 2.215 40 0 GEABMN COc1cccc(C2(O)CCN(CCNC(=O)c3ccccc3OC)CC2)c1 ZINC000012326276 204397776 /nfs/dbraw/zinc/39/77/76/204397776.db2.gz LBIRNZASFRAOTO-UHFFFAOYSA-N 0 1 384.476 2.417 40 0 GEABMN Cc1nc([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763189 204682458 /nfs/dbraw/zinc/68/24/58/204682458.db2.gz VHVBEQAQQSEIEB-OAHLLOKOSA-N 0 1 382.468 2.154 40 0 GEABMN O=C(N[C@@H]1CN2CCC1CC2)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339063 205328450 /nfs/dbraw/zinc/32/84/50/205328450.db2.gz QJLPKTAHBAJULL-BNKNFQTHSA-N 0 1 395.503 2.152 40 0 GEABMN Cc1nnc(Nc2cc([C@@H]3CCCN3C(=O)c3cnccn3)nc(C)n2)s1 ZINC000072360269 205334122 /nfs/dbraw/zinc/33/41/22/205334122.db2.gz LBYCNSPXICRBFB-AWEZNQCLSA-N 0 1 382.453 2.456 40 0 GEABMN Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(Cc3cnn(C)c3)CC2)n1 ZINC000072352155 205332318 /nfs/dbraw/zinc/33/23/18/205332318.db2.gz QVVBXTBAVJVPER-UHFFFAOYSA-N 0 1 382.512 2.209 40 0 GEABMN COc1ccc(CCC(=O)N2CCC[C@H](c3nnc4n3CCN(C)CC4)C2)cc1 ZINC000072370921 205336429 /nfs/dbraw/zinc/33/64/29/205336429.db2.gz SRDUBSJSWYJHFV-SFHVURJKSA-N 0 1 397.523 2.113 40 0 GEABMN O=C(Cc1ccccc1)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380615 205339903 /nfs/dbraw/zinc/33/99/03/205339903.db2.gz MWEMEPCMNLOEDP-IBGZPJMESA-N 0 1 382.464 2.178 40 0 GEABMN CCOCCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 ZINC000096145895 205532918 /nfs/dbraw/zinc/53/29/18/205532918.db2.gz UDDBFAJACFZMCW-ROUUACIJSA-N 0 1 394.537 2.349 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000225194629 206040278 /nfs/dbraw/zinc/04/02/78/206040278.db2.gz WWCCFOXILQQJMY-ZDUSSCGKSA-N 0 1 380.495 2.489 40 0 GEABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCOC(C)C)s1 ZINC000225455095 206049168 /nfs/dbraw/zinc/04/91/68/206049168.db2.gz XZXZPFKNRCVPCN-UHFFFAOYSA-N 0 1 398.510 2.192 40 0 GEABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCOC(C)C)s2)cc1 ZINC000225476446 206052161 /nfs/dbraw/zinc/05/21/61/206052161.db2.gz RYWGZCVBUGZVQP-UHFFFAOYSA-N 0 1 398.510 2.192 40 0 GEABMN Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225705209 206069798 /nfs/dbraw/zinc/06/97/98/206069798.db2.gz AKYQOJHQDHXAMT-GFCCVEGCSA-N 0 1 398.510 2.187 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2cccc(C)c2)s1 ZINC000225582940 206058532 /nfs/dbraw/zinc/05/85/32/206058532.db2.gz ZYEBSDSYWZVLKO-UHFFFAOYSA-N 0 1 386.524 2.017 40 0 GEABMN CC(=O)N[C@]12CN(Cc3ccncc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257206994 206160106 /nfs/dbraw/zinc/16/01/06/206160106.db2.gz BFTWNUGAULUDGN-DNVJHFABSA-N 0 1 392.503 2.382 40 0 GEABMN CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CCN(CCc1ccccc1)C2 ZINC000257240711 206164837 /nfs/dbraw/zinc/16/48/37/206164837.db2.gz HUTXCCAWXVXMPW-GOSISDBHSA-N 0 1 379.508 2.455 40 0 GEABMN Cc1ccc(CN2C[C@H]3CN(Cc4csc(C)n4)S(=O)(=O)[C@@H]3C2)s1 ZINC000306141108 206207365 /nfs/dbraw/zinc/20/73/65/206207365.db2.gz VLLYTARBLFGMEH-XJKSGUPXSA-N 0 1 383.564 2.467 40 0 GEABMN CN1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000306133990 206202854 /nfs/dbraw/zinc/20/28/54/206202854.db2.gz NBEKJQXAYPLOOL-SFHVURJKSA-N 0 1 382.512 2.100 40 0 GEABMN Cc1n[nH]cc1CN1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000306140100 206204303 /nfs/dbraw/zinc/20/43/03/206204303.db2.gz UJYLWVCTIFPEEI-OAQYLSRUSA-N 0 1 398.511 2.021 40 0 GEABMN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096050194 136183414 /nfs/dbraw/zinc/18/34/14/136183414.db2.gz ZUUAQJANKWSMAU-OAQYLSRUSA-N 0 1 382.439 2.061 40 0 GEABMN Fc1ccc(CN2CC[C@@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244148 136185572 /nfs/dbraw/zinc/18/55/72/136185572.db2.gz VTDQUMCFHZSTCC-OAQYLSRUSA-N 0 1 384.455 2.126 40 0 GEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCOCc2ccccc2)s1 ZINC000225147388 527609716 /nfs/dbraw/zinc/60/97/16/527609716.db2.gz RHMMOLAKJAUKLT-UHFFFAOYSA-N 0 1 398.510 2.018 40 0 GEABMN CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC)cc1 ZINC000408610059 528746318 /nfs/dbraw/zinc/74/63/18/528746318.db2.gz UTQGZOWEULRWGR-CYBMUJFWSA-N 0 1 378.450 2.399 40 0 GEABMN COC(=O)c1ccc2c(c1)CCN(c1cc(NCCCO)nc(C3CC3)n1)C2 ZINC000328975432 570210120 /nfs/dbraw/zinc/21/01/20/570210120.db2.gz FKEXMWRWJQBCTG-UHFFFAOYSA-N 0 1 382.464 2.498 40 0 GEABMN Cc1nc([C@H]2CCCN(Cc3ccccn3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764011 570217315 /nfs/dbraw/zinc/21/73/15/570217315.db2.gz UROBLZDSFCFFDH-KRWDZBQOSA-N 0 1 381.480 2.032 40 0 GEABMN Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000034857840 570341851 /nfs/dbraw/zinc/34/18/51/570341851.db2.gz ZXZVNLHYBSEJJL-GBPOLFSSSA-N 0 1 387.439 2.426 40 0 GEABMN Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)nc(NC2CCCCC2)n1 ZINC000049028113 570410642 /nfs/dbraw/zinc/41/06/42/570410642.db2.gz ZIAPLEIXRVDAFD-UHFFFAOYSA-N 0 1 381.484 2.282 40 0 GEABMN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169293202 570780234 /nfs/dbraw/zinc/78/02/34/570780234.db2.gz AKHZFGDQAHCPLJ-KSZLIROESA-N 0 1 389.521 2.164 40 0 GEABMN Cc1snnc1C(=O)N1CCN2C[C@H](OCc3ccccc3F)C[C@@H]2C1 ZINC000585107952 570939448 /nfs/dbraw/zinc/93/94/48/570939448.db2.gz LHMLTRHEWFBVOT-HUUCEWRRSA-N 0 1 376.457 2.101 40 0 GEABMN COc1ccc(CN2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c(OC)c1 ZINC000019018760 570954938 /nfs/dbraw/zinc/95/49/38/570954938.db2.gz MLMQFNBFTGVCOJ-KRWDZBQOSA-N 0 1 396.491 2.388 40 0 GEABMN Cc1cnc(C(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)cn1 ZINC000019238998 570968442 /nfs/dbraw/zinc/96/84/42/570968442.db2.gz YKPLEOXULBBQOI-UHFFFAOYSA-N 0 1 382.443 2.279 40 0 GEABMN Cc1nccc(-c2ccc(-c3noc(CNCCCN4CCOCC4)n3)cc2)n1 ZINC000019287565 570970177 /nfs/dbraw/zinc/97/01/77/570970177.db2.gz UWBGHUZVVJZNEU-UHFFFAOYSA-N 0 1 394.479 2.314 40 0 GEABMN O=C1N[C@]2(CCN(Cc3ccc(CN4CCOCC4)o3)C2)CCc2ccccc21 ZINC000019375245 570981788 /nfs/dbraw/zinc/98/17/88/570981788.db2.gz FDZYCELRHKVGHE-QHCPKHFHSA-N 0 1 395.503 2.433 40 0 GEABMN COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)cc1OC ZINC000019560514 571005450 /nfs/dbraw/zinc/00/54/50/571005450.db2.gz FPTCPPDTMIMYFW-SFHVURJKSA-N 0 1 396.491 2.436 40 0 GEABMN Cn1cc(CCNC(=O)c2ccnc(N3CCN(C)CC3)c2)c2cc(F)ccc21 ZINC000019662472 571026275 /nfs/dbraw/zinc/02/62/75/571026275.db2.gz VMHPFVSWVKARKG-UHFFFAOYSA-N 0 1 395.482 2.437 40 0 GEABMN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056041 571098041 /nfs/dbraw/zinc/09/80/41/571098041.db2.gz VQOOQRMPQPABGE-RXVVDRJESA-N 0 1 383.496 2.097 40 0 GEABMN Cc1ccc(C2(O)CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012326370 206887403 /nfs/dbraw/zinc/88/74/03/206887403.db2.gz WRQDXPLRRHDHOD-UHFFFAOYSA-N 0 1 382.460 2.437 40 0 GEABMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@]2(CCc3ccccc3O2)CC1 ZINC000019020126 207101842 /nfs/dbraw/zinc/10/18/42/207101842.db2.gz JBTJHRNTKMJDID-SIKLNZKXSA-N 0 1 396.491 2.233 40 0 GEABMN O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019375466 207119807 /nfs/dbraw/zinc/11/98/07/207119807.db2.gz ZPTBINILMWYCFB-UXHICEINSA-N 0 1 378.476 2.490 40 0 GEABMN O=C1N[C@@]2(CCN(Cc3ccc(N4CCOCC4)nc3)C2)CCc2ccccc21 ZINC000019375242 207120461 /nfs/dbraw/zinc/12/04/61/207120461.db2.gz TZUFZPDRGRTEIZ-HSZRJFAPSA-N 0 1 392.503 2.239 40 0 GEABMN CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019498519 207125865 /nfs/dbraw/zinc/12/58/65/207125865.db2.gz LYZVGMXITKCSEW-INIZCTEOSA-N 0 1 396.491 2.475 40 0 GEABMN CCN1CCN(c2nc([C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[nH]2)CC1 ZINC000019528240 207130815 /nfs/dbraw/zinc/13/08/15/207130815.db2.gz HUDSZVLWVGPCGK-KRWDZBQOSA-N 0 1 395.507 2.461 40 0 GEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1scnc1C)C2 ZINC000019708884 207150191 /nfs/dbraw/zinc/15/01/91/207150191.db2.gz BWVZEENASUYQNO-CYBMUJFWSA-N 0 1 386.525 2.291 40 0 GEABMN Cc1cc(=O)n(CC(=O)N2CCC(CCN3CCOCC3)CC2)c2ccccc12 ZINC000019657060 207146030 /nfs/dbraw/zinc/14/60/30/207146030.db2.gz CSVHKEKQZSOIOF-UHFFFAOYSA-N 0 1 397.519 2.271 40 0 GEABMN Cc1nc([C@H]2CCCN(C(=O)CN3CCCC3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763179 207161012 /nfs/dbraw/zinc/16/10/12/207161012.db2.gz YJDNAIHSHGILCX-SFHVURJKSA-N 0 1 399.539 2.213 40 0 GEABMN COC(=O)c1c(C)nc2ccn(-c3nnc[nH]3)c(=O)c2c1-c1ccc(F)cc1 ZINC000019819246 207165314 /nfs/dbraw/zinc/16/53/14/207165314.db2.gz FQFPUFZJPRHGKZ-UHFFFAOYSA-N 0 1 379.351 2.405 40 0 GEABMN Cc1ccc(C)c([C@@H](O)CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022887333 207262806 /nfs/dbraw/zinc/26/28/06/207262806.db2.gz IHUHYCMGLAPHQL-NRFANRHFSA-N 0 1 392.503 2.391 40 0 GEABMN CCn1cc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306131655 209101905 /nfs/dbraw/zinc/10/19/05/209101905.db2.gz KLHYNOXBXQLVCG-GOSISDBHSA-N 0 1 395.511 2.162 40 0 GEABMN O=C([C@@H]1Cc2nc[nH]c2CN1Cc1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000015676238 208795342 /nfs/dbraw/zinc/79/53/42/208795342.db2.gz SIIYRLCOOQZGEZ-KRWDZBQOSA-N 0 1 394.397 2.214 40 0 biogenic,in-vitro GEABMN COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)C4CCC4)CC[C@H]3[N@H+]2C)cc1 ZINC000306123195 209095498 /nfs/dbraw/zinc/09/54/98/209095498.db2.gz AGVPRIIBFSVRMK-SXLOBPIMSA-N 0 1 385.508 2.033 40 0 GEABMN COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)C4CCC4)CC[C@H]3N2C)cc1 ZINC000306123195 209095503 /nfs/dbraw/zinc/09/55/03/209095503.db2.gz AGVPRIIBFSVRMK-SXLOBPIMSA-N 0 1 385.508 2.033 40 0 GEABMN CN(C)C(=O)c1cc(C[C@H]2CCCN(C(=O)c3[nH]nc4ccccc43)C2)ncn1 ZINC000257260033 209062074 /nfs/dbraw/zinc/06/20/74/209062074.db2.gz LBBYXBVENGMSOV-CQSZACIVSA-N 0 1 392.463 2.150 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC)c2ccc(OC)cc2)s1 ZINC000223118865 570444678 /nfs/dbraw/zinc/44/46/78/570444678.db2.gz MEYJSMBVNVNAIV-GFCCVEGCSA-N 0 1 384.483 2.325 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Br)s1 ZINC000223170299 570448170 /nfs/dbraw/zinc/44/81/70/570448170.db2.gz YFACLJRKJXDSRK-UHFFFAOYSA-N 0 1 391.272 2.450 40 0 GEABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccco3)s2)c1 ZINC000223314079 570458039 /nfs/dbraw/zinc/45/80/39/570458039.db2.gz DQDYGFNTOVYIRV-UHFFFAOYSA-N 0 1 378.435 2.170 40 0 GEABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1C ZINC000223321927 570458205 /nfs/dbraw/zinc/45/82/05/570458205.db2.gz PYXOZWRAWKAHHV-UHFFFAOYSA-N 0 1 376.390 2.407 40 0 GEABMN COc1ccc(OC)c(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c1 ZINC000223336985 570459723 /nfs/dbraw/zinc/45/97/23/570459723.db2.gz DURNNFUECULVBO-UHFFFAOYSA-N 0 1 378.406 2.258 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc3ccccc3c2)s1 ZINC000223644630 570476289 /nfs/dbraw/zinc/47/62/89/570476289.db2.gz FOYTZHBJDUFUMI-UHFFFAOYSA-N 0 1 392.462 2.007 40 0 GEABMN CCCCOC(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 ZINC000003510237 570609976 /nfs/dbraw/zinc/60/99/76/570609976.db2.gz NXUXUPPUNZQFTL-UHFFFAOYSA-N 0 1 375.454 2.329 40 0 GEABMN O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000012290913 570632941 /nfs/dbraw/zinc/63/29/41/570632941.db2.gz HMNHUIXBRVZAOI-UHFFFAOYSA-N 0 1 386.423 2.268 40 0 GEABMN O=C(NCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)[C@@H]1CCCO1 ZINC000012326467 570643206 /nfs/dbraw/zinc/64/32/06/570643206.db2.gz QIPCHWHEBKURJK-INIZCTEOSA-N 0 1 386.414 2.284 40 0 GEABMN CC(=O)N1[C@@H](CNC(=O)c2n[nH]c3ccccc32)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257226345 570763984 /nfs/dbraw/zinc/76/39/84/570763984.db2.gz FKHOCUXXQJLQJO-WMIGDMCZSA-N 0 1 384.480 2.223 40 0 GEABMN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000585109740 570938009 /nfs/dbraw/zinc/93/80/09/570938009.db2.gz NLEFZVNWHKBXJD-JAXLGGSGSA-N 0 1 381.476 2.131 40 0 GEABMN CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)[C@@H]2CCCCN2C)CC3)c1 ZINC000585111142 570945030 /nfs/dbraw/zinc/94/50/30/570945030.db2.gz GPAMENRAEFPQIU-IBGZPJMESA-N 0 1 395.507 2.378 40 0 GEABMN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NCCO)n1 ZINC000329042023 647315652 /nfs/dbraw/zinc/31/56/52/647315652.db2.gz SMRGWYZIUFLLMY-UHFFFAOYSA-N 0 1 377.286 2.768 40 0 GEABMN COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C ZINC000008635370 291115315 /nfs/dbraw/zinc/11/53/15/291115315.db2.gz PJWQVFVQFHXIPS-SCTDSRPQSA-N 0 1 398.507 2.036 40 0 biogenic,in-vitro GEABMN O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019375462 207120773 /nfs/dbraw/zinc/12/07/73/207120773.db2.gz ZPTBINILMWYCFB-VQTJNVASSA-N 0 1 378.476 2.490 40 0 GEABMN O=C(Cn1cnc2ccccc21)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019376673 207119947 /nfs/dbraw/zinc/11/99/47/207119947.db2.gz VOAHPAFRPWZNKO-GOSISDBHSA-N 0 1 376.464 2.226 40 0 GEABMN CN([C@H]1CCCN(Cc2cnn(C)c2)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000019749688 207159059 /nfs/dbraw/zinc/15/90/59/207159059.db2.gz YAUWTGYJIGENIR-KRWDZBQOSA-N 0 1 380.489 2.234 40 0 GEABMN COc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4cccs4)CC3)C2=O)cc1 ZINC000023375554 207276840 /nfs/dbraw/zinc/27/68/40/207276840.db2.gz UQWLWSIRDFYHEJ-LJQANCHMSA-N 0 1 399.516 2.249 40 0 GEABMN Cn1c(C(=O)N2CCC(c3nnc4n3CCN(C)C4)CC2)cc2cc(F)ccc21 ZINC000072372072 208006180 /nfs/dbraw/zinc/00/61/80/208006180.db2.gz PBZRZYJDZDIUBH-UHFFFAOYSA-N 0 1 396.470 2.374 40 0 GEABMN Cc1cnc(CNC(=O)[C@H]2C[C@]3(CO2)c2ccccc2CN3CC2CC2)cn1 ZINC000096143904 208271951 /nfs/dbraw/zinc/27/19/51/208271951.db2.gz KHHSVEHTIMWLNI-IRLDBZIGSA-N 0 1 378.476 2.311 40 0 GEABMN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3nccs3)C[C@H]1C2 ZINC000306131295 209101105 /nfs/dbraw/zinc/10/11/05/209101105.db2.gz KAOKTEXIHBRCIE-KGLIPLIRSA-N 0 1 380.477 2.291 40 0 GEABMN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306128785 209099835 /nfs/dbraw/zinc/09/98/35/209099835.db2.gz HKJNKNPWEYEKEQ-IFMALSPDSA-N 0 1 378.476 2.084 40 0 GEABMN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000096111931 209008618 /nfs/dbraw/zinc/00/86/18/209008618.db2.gz UNVADQQRVNCPHM-HKUYNNGSSA-N 0 1 396.443 2.400 40 0 biogenic,in-vitro GEABMN COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000096111931 209008620 /nfs/dbraw/zinc/00/86/20/209008620.db2.gz UNVADQQRVNCPHM-HKUYNNGSSA-N 0 1 396.443 2.400 40 0 biogenic,in-vitro GEABMN CC(=O)N[C@]12CN(C(=O)c3ccccn3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257200258 209054114 /nfs/dbraw/zinc/05/41/14/209054114.db2.gz ACPMXAWSPFLLFO-SYYKKAFVSA-N 0 1 378.476 2.105 40 0 GEABMN O=C(c1cnccn1)N1CCO[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000257316803 209074633 /nfs/dbraw/zinc/07/46/33/209074633.db2.gz VHBJANBVSDKUKP-IBGZPJMESA-N 0 1 397.410 2.174 40 0 GEABMN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000409129166 528847230 /nfs/dbraw/zinc/84/72/30/528847230.db2.gz FWKBUQBFZZPJSO-UHFFFAOYSA-N 0 1 393.417 2.216 40 0 GEABMN CC(C)CCN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381658 570352778 /nfs/dbraw/zinc/35/27/78/570352778.db2.gz JRLZOYMCXYXEOQ-QGZVFWFLSA-N 0 1 375.488 2.083 40 0 biogenic,in-vitro GEABMN C[C@@H](COc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000223968443 570492252 /nfs/dbraw/zinc/49/22/52/570492252.db2.gz VJBBWHRIPSKFNZ-NSHDSACASA-N 0 1 398.510 2.269 40 0 GEABMN O=C(Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)s1)c1ccccc1 ZINC000224358221 570510500 /nfs/dbraw/zinc/51/05/00/570510500.db2.gz FGUCJYRQRUOLCF-UHTWSYAYSA-N 0 1 378.479 2.257 40 0 GEABMN COc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H](C)O)cc1OC ZINC000012185587 570620464 /nfs/dbraw/zinc/62/04/64/570620464.db2.gz BWDMZJCBFBGWGB-HNNXBMFYSA-N 0 1 399.491 2.277 40 0 GEABMN Cc1cc(-c2cnn(CCNC(=O)CN3CCCC3)c2-c2ccc(C)nc2)on1 ZINC000012223169 570628536 /nfs/dbraw/zinc/62/85/36/570628536.db2.gz VWLGBFWNTKLWPX-UHFFFAOYSA-N 0 1 394.479 2.429 40 0 GEABMN Cc1cnc2c(C(=O)N3CC[C@H](c4[nH]ncc4-c4ccnc(N)c4)C3)cnn2c1 ZINC000257231360 570765513 /nfs/dbraw/zinc/76/55/13/570765513.db2.gz GGISXGBNGUNQMZ-AWEZNQCLSA-N 0 1 388.435 2.035 40 0 GEABMN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)c1 ZINC000013672582 570770830 /nfs/dbraw/zinc/77/08/30/570770830.db2.gz CTSKGSLZEDGZRR-UHFFFAOYSA-N 0 1 375.494 2.396 40 0 GEABMN Cc1ccc(C(=O)NCCC[NH+](C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314689 570787832 /nfs/dbraw/zinc/78/78/32/570787832.db2.gz FINSRZZMJVUGCK-UHFFFAOYSA-N 0 1 375.494 2.477 40 0 GEABMN N[C@@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218218840 570817020 /nfs/dbraw/zinc/81/70/20/570817020.db2.gz JNNYBHRAKXTHCD-PMPSAXMXSA-N 0 1 382.279 2.079 40 0 GEABMN O=C(N[C@@H]1CN2CCC1CC2)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2O1 ZINC000072339062 570879957 /nfs/dbraw/zinc/87/99/57/570879957.db2.gz QJLPKTAHBAJULL-FIEZJVDUSA-N 0 1 395.503 2.152 40 0 GEABMN COc1ccc(CN2CCOC[C@]3(CC(=O)N(Cc4cncs4)C3)C2)cc1 ZINC000585103835 570929043 /nfs/dbraw/zinc/92/90/43/570929043.db2.gz QOQHFAKAHDSUHF-HXUWFJFHSA-N 0 1 387.505 2.403 40 0 GEABMN C=CCN1C(=O)NC(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000006295684 531524150 /nfs/dbraw/zinc/52/41/50/531524150.db2.gz RMGFKLGHQPTTLR-RMKNXTFCSA-N 0 1 380.154 2.005 40 0 GEABMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000045865917 531695807 /nfs/dbraw/zinc/69/58/07/531695807.db2.gz LUQZPHKZBOWNLG-UHFFFAOYSA-N 0 1 383.447 2.068 40 0 GEABMN CC(C)(C)SCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000222563904 532484764 /nfs/dbraw/zinc/48/47/64/532484764.db2.gz HRFUPCOICNVGPA-UHFFFAOYSA-N 0 1 380.561 2.333 40 0 GEABMN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CCN(Cc1ccoc1)C2 ZINC000306138827 209107217 /nfs/dbraw/zinc/10/72/17/209107217.db2.gz SIJBDXXWMWFXNU-NRFANRHFSA-N 0 1 398.511 2.024 40 0 GEABMN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)on1 ZINC000019119904 207103017 /nfs/dbraw/zinc/10/30/17/207103017.db2.gz RBTCMUYUTILMRH-MRXNPFEDSA-N 0 1 385.468 2.200 40 0 GEABMN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)on1 ZINC000019119904 207103020 /nfs/dbraw/zinc/10/30/20/207103020.db2.gz RBTCMUYUTILMRH-MRXNPFEDSA-N 0 1 385.468 2.200 40 0 GEABMN Cc1cccc([C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236392 207109575 /nfs/dbraw/zinc/10/95/75/207109575.db2.gz HBEDJMBYPFICKP-PGRDOPGGSA-N 0 1 394.523 2.274 40 0 GEABMN NC(=O)Cn1cc(CN2CCN(CCOc3ccccc3)CC2)c2ccccc21 ZINC000019373528 207120169 /nfs/dbraw/zinc/12/01/69/207120169.db2.gz TYFDZMVCYFHEFN-UHFFFAOYSA-N 0 1 392.503 2.323 40 0 GEABMN CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019498518 207124674 /nfs/dbraw/zinc/12/46/74/207124674.db2.gz LYZVGMXITKCSEW-MRXNPFEDSA-N 0 1 396.491 2.475 40 0 GEABMN CN(C)C(=O)c1cn[nH]c1C1CCN(C(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000019581386 207139441 /nfs/dbraw/zinc/13/94/41/207139441.db2.gz AWGJDZUMEDKLII-IBGZPJMESA-N 0 1 382.464 2.132 40 0 GEABMN Cc1c(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)cnn1C ZINC000019553986 207133099 /nfs/dbraw/zinc/13/30/99/207133099.db2.gz HTEMYUJIWJAACN-SFHVURJKSA-N 0 1 376.526 2.480 40 0 GEABMN CN1CCN([C@H](CNC(=O)[C@@H]2OCOc3ccccc32)c2ccccc2)CC1 ZINC000019589804 207141348 /nfs/dbraw/zinc/14/13/48/207141348.db2.gz TVLVLIMVLCQIMX-TZIWHRDSSA-N 0 1 381.476 2.199 40 0 GEABMN Cc1ccc(NC(=O)Cc2n[nH]c(C(C)C)n2)cc1S(=O)(=O)N1CCCC1 ZINC000019718452 207156358 /nfs/dbraw/zinc/15/63/58/207156358.db2.gz LJYXFQHEBLELEL-UHFFFAOYSA-N 0 1 391.497 2.202 40 0 GEABMN CNc1nc(C2CCN(Cc3cccnc3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019752944 207160034 /nfs/dbraw/zinc/16/00/34/207160034.db2.gz WTGXFXPFZMYAGZ-UHFFFAOYSA-N 0 1 380.496 2.198 40 0 GEABMN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380560 208011774 /nfs/dbraw/zinc/01/17/74/208011774.db2.gz FDEPJEBOUBAAMA-OAHLLOKOSA-N 0 1 389.481 2.014 40 0 GEABMN COCCN1CCN(c2ccc3ccc(C(=O)NCc4cccnc4)cn32)CC1 ZINC000096155904 208279550 /nfs/dbraw/zinc/27/95/50/208279550.db2.gz WGSMVNZFYGLHSP-UHFFFAOYSA-N 0 1 393.491 2.033 40 0 GEABMN CC(C)NC(=O)c1ccc2nnc([C@@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096268012 208300042 /nfs/dbraw/zinc/30/00/42/208300042.db2.gz MNJVKJDEFBOZPY-IBGZPJMESA-N 0 1 392.507 2.356 40 0 GEABMN CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000097952854 208363088 /nfs/dbraw/zinc/36/30/88/208363088.db2.gz PMXWHDVLQFSJBT-OAQYLSRUSA-N 0 1 381.480 2.021 40 0 GEABMN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccncc4)C2)COC3)C[C@H](C)O1 ZINC000306128654 209098686 /nfs/dbraw/zinc/09/86/86/209098686.db2.gz HHMZNBZDQLMLNQ-JKSBSHDWSA-N 0 1 395.507 2.159 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)s1 ZINC000222819346 208884594 /nfs/dbraw/zinc/88/45/94/208884594.db2.gz OGLLOWMAWCBPTP-UHFFFAOYSA-N 0 1 384.527 2.380 40 0 GEABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccco3)s2)cc1 ZINC000224116168 208918205 /nfs/dbraw/zinc/91/82/05/208918205.db2.gz AWDZCXKNCOQCAM-UHFFFAOYSA-N 0 1 378.435 2.170 40 0 GEABMN CC(=O)NCC[C@H]1CCCN(C(=O)c2ccccc2-n2cc(CN(C)C)cn2)C1 ZINC000257252722 209059057 /nfs/dbraw/zinc/05/90/57/209059057.db2.gz JVXCGDTVMDIXHC-GOSISDBHSA-N 0 1 397.523 2.312 40 0 GEABMN CCCn1ccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)n1 ZINC000257246443 209059315 /nfs/dbraw/zinc/05/93/15/209059315.db2.gz IUDWDWPBNMNXMC-UHFFFAOYSA-N 0 1 384.484 2.272 40 0 GEABMN C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000257245106 209059566 /nfs/dbraw/zinc/05/95/66/209059566.db2.gz IOBYRHAIHSDFLH-NRFANRHFSA-N 0 1 387.455 2.416 40 0 GEABMN C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000257245106 209059568 /nfs/dbraw/zinc/05/95/68/209059568.db2.gz IOBYRHAIHSDFLH-NRFANRHFSA-N 0 1 387.455 2.416 40 0 GEABMN Cn1nccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000257300519 209070552 /nfs/dbraw/zinc/07/05/52/209070552.db2.gz RUPBIGAVWOPHSN-HXUWFJFHSA-N 0 1 385.443 2.477 40 0 GEABMN O=C(c1cnccn1)N1CCO[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000257316804 209074622 /nfs/dbraw/zinc/07/46/22/209074622.db2.gz VHBJANBVSDKUKP-LJQANCHMSA-N 0 1 397.410 2.174 40 0 GEABMN COc1cc(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)cc(OC)c1O ZINC000585292676 570260705 /nfs/dbraw/zinc/26/07/05/570260705.db2.gz NBSWIXXWWJSXPA-GPMSIDNRSA-N 0 1 393.867 2.384 40 0 GEABMN COC(=O)C1C(CSc2nncn2C)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008306819 570373295 /nfs/dbraw/zinc/37/32/95/570373295.db2.gz LSQRZYQKUQVEGR-HNNXBMFYSA-N 0 1 387.465 2.005 40 0 GEABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(C(N)=O)cc3)cc2oc1=O ZINC000223365283 570461774 /nfs/dbraw/zinc/46/17/74/570461774.db2.gz NXJDDYXQMLYKBX-UHFFFAOYSA-N 0 1 395.824 2.168 40 0 GEABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccc(C)c(C)c3NC1=O)N1CCC[C@@H]21 ZINC000035365974 570477302 /nfs/dbraw/zinc/47/73/02/570477302.db2.gz PCCPNCHLBHQKNC-ACTFIFLWSA-N 0 1 381.476 2.330 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1 ZINC000224120900 570499777 /nfs/dbraw/zinc/49/97/77/570499777.db2.gz DHHQBUFXMFSPRT-UHFFFAOYSA-N 0 1 381.266 2.282 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)s1 ZINC000224646432 570522293 /nfs/dbraw/zinc/52/22/93/570522293.db2.gz YMDBAZUKYNZREC-GFCCVEGCSA-N 0 1 396.494 2.386 40 0 GEABMN Cc1nc2nc3ccn(-c4nnc[nH]4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 ZINC000040398372 570601770 /nfs/dbraw/zinc/60/17/70/570601770.db2.gz KHYNFCGPCURNQX-UHFFFAOYSA-N 0 1 378.783 2.175 40 0 GEABMN CCn1ncc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000012222276 570628023 /nfs/dbraw/zinc/62/80/23/570628023.db2.gz OPJXBROGPLTNGO-LJQANCHMSA-N 0 1 389.525 2.154 40 0 GEABMN COc1ccc(C2(O)CCN(CCNC(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000012291076 570632876 /nfs/dbraw/zinc/63/28/76/570632876.db2.gz OUHITYGFCOJYTP-UHFFFAOYSA-N 0 1 386.467 2.477 40 0 GEABMN COc1cc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc(OC)c1OC ZINC000005045713 570658234 /nfs/dbraw/zinc/65/82/34/570658234.db2.gz FUWMWJKCIGTPRL-KRWDZBQOSA-N 0 1 392.496 2.220 40 0 GEABMN Cc1cc(C(=O)NCCC[NH+](C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314293 570787253 /nfs/dbraw/zinc/78/72/53/570787253.db2.gz RAXPEACQPONGFL-UHFFFAOYSA-N 0 1 375.494 2.477 40 0 GEABMN CC(C)N(C)C(=O)C1=NO[C@]2(C1)CCCN(Cc1ncc(C(F)(F)F)[nH]1)C2 ZINC000585101230 570926762 /nfs/dbraw/zinc/92/67/62/570926762.db2.gz PHXRSRXCMVZBON-INIZCTEOSA-N 0 1 387.406 2.406 40 0 GEABMN CCN1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019528000 570928228 /nfs/dbraw/zinc/92/82/28/570928228.db2.gz ITLPFWRJZHKEOH-MSOLQXFVSA-N 0 1 390.919 2.232 40 0 GEABMN Cc1snnc1C(=O)N1CCN2C[C@@H](OCc3ccccc3F)C[C@@H]2C1 ZINC000585107950 570939810 /nfs/dbraw/zinc/93/98/10/570939810.db2.gz LHMLTRHEWFBVOT-CABCVRRESA-N 0 1 376.457 2.101 40 0 GEABMN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000408601714 529895427 /nfs/dbraw/zinc/89/54/27/529895427.db2.gz GQEMNTQYXMLWPX-GFCCVEGCSA-N 0 1 394.449 2.018 40 0 GEABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNC(C)=O)n(C)n2)cc1OC ZINC000008635509 291116381 /nfs/dbraw/zinc/11/63/81/291116381.db2.gz VKDBDFYXCCQBMM-JQHSSLGASA-N 0 1 398.507 2.418 40 0 biogenic,in-vitro GEABMN CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)C5CC5)C4)[n-]n3c(=O)c2C1 ZINC000019448067 207121360 /nfs/dbraw/zinc/12/13/60/207121360.db2.gz HXRGLOHRGXJZRT-HNNXBMFYSA-N 0 1 383.496 2.317 40 0 GEABMN COc1cccc(N2CCCN(Cc3ccnc(N4CCOCC4)n3)CC2)c1 ZINC000019565816 207135492 /nfs/dbraw/zinc/13/54/92/207135492.db2.gz XQGYSUHZGPRPFJ-UHFFFAOYSA-N 0 1 383.496 2.034 40 0 GEABMN Cc1c(CN2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cnn1C ZINC000019553702 207132553 /nfs/dbraw/zinc/13/25/53/207132553.db2.gz HGTZIAQQGKTBSM-QGZVFWFLSA-N 0 1 394.479 2.421 40 0 GEABMN COc1ccccc1[C@H](CNC(=O)c1cccn2nnnc12)N1CCCCC1 ZINC000019661817 207147269 /nfs/dbraw/zinc/14/72/69/207147269.db2.gz VHMXRRSNZQCUFJ-KRWDZBQOSA-N 0 1 380.452 2.090 40 0 GEABMN Cc1ccc(CC(=O)N2CCC(c3nnc4n3CCN(C)CC4)CC2)cc1C ZINC000019709426 207149999 /nfs/dbraw/zinc/14/99/99/207149999.db2.gz JIMXRKOYAPSMAT-UHFFFAOYSA-N 0 1 381.524 2.332 40 0 GEABMN CC(C)c1cc(C(=O)N2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)n[nH]1 ZINC000019759767 207158955 /nfs/dbraw/zinc/15/89/55/207158955.db2.gz BJLMSNYGPQZOFE-LJQANCHMSA-N 0 1 393.447 2.394 40 0 GEABMN CN1CCN(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000030865555 207375229 /nfs/dbraw/zinc/37/52/29/207375229.db2.gz UKYKHFPMGDRMLJ-UHFFFAOYSA-N 0 1 389.521 2.395 40 0 GEABMN CN(C)c1cc(C[C@@H]2CN(C)CCN(C(=O)CCc3ccccc3)C2)ncn1 ZINC000072355103 208001774 /nfs/dbraw/zinc/00/17/74/208001774.db2.gz CWMHPAWCEPUJPG-LJQANCHMSA-N 0 1 381.524 2.108 40 0 GEABMN CN1CCn2c(nnc2C2CCN(C(=O)c3cccc(N4CCCC4)c3)CC2)C1 ZINC000072372078 208005044 /nfs/dbraw/zinc/00/50/44/208005044.db2.gz KJJDGHOSGYMFIJ-UHFFFAOYSA-N 0 1 394.523 2.344 40 0 GEABMN CC(=O)NCC(=O)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371543 208006015 /nfs/dbraw/zinc/00/60/15/208006015.db2.gz YWRDULKGBUEPJE-AWEZNQCLSA-N 0 1 390.871 2.137 40 0 GEABMN Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCN(C)C3)c1 ZINC000072374004 208010036 /nfs/dbraw/zinc/01/00/36/208010036.db2.gz NRJGFZVNFHOFEP-QGZVFWFLSA-N 0 1 389.525 2.089 40 0 GEABMN Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380561 208012158 /nfs/dbraw/zinc/01/21/58/208012158.db2.gz FDEPJEBOUBAAMA-HNNXBMFYSA-N 0 1 389.481 2.014 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCC2)s1 ZINC000224656223 208931315 /nfs/dbraw/zinc/93/13/15/208931315.db2.gz KTOWPWQPJCLDIU-UHFFFAOYSA-N 0 1 378.545 2.087 40 0 GEABMN Cc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225133069 208942457 /nfs/dbraw/zinc/94/24/57/208942457.db2.gz YHRZWHXOMWHZJI-UHFFFAOYSA-N 0 1 398.510 2.188 40 0 GEABMN Cn1cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(-c4ccccc4)nc23)cn1 ZINC000306130244 209099257 /nfs/dbraw/zinc/09/92/57/209099257.db2.gz IZVKQPCECKMPEZ-UHFFFAOYSA-N 0 1 390.491 2.225 40 0 GEABMN O=C(NCc1ccccc1)C1=NO[C@@]2(C1)COCC[C@@H]2NCc1cccs1 ZINC000306122960 209095915 /nfs/dbraw/zinc/09/59/15/209095915.db2.gz AAPTWYCFAROCMW-ICSRJNTNSA-N 0 1 385.489 2.458 40 0 GEABMN COc1ccc(CN2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)cc1CO ZINC000072389578 136169260 /nfs/dbraw/zinc/16/92/60/136169260.db2.gz VGQMWZHNBVIZPJ-OAHLLOKOSA-N 0 1 398.507 2.065 40 0 GEABMN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000257306980 209073192 /nfs/dbraw/zinc/07/31/92/209073192.db2.gz SWUDMLRFFTYQJO-INIZCTEOSA-N 0 1 393.447 2.119 40 0 GEABMN COc1ccccc1OCC(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000072390785 222247397 /nfs/dbraw/zinc/24/73/97/222247397.db2.gz OHMUMGZTNMLIHX-QGZVFWFLSA-N 0 1 382.464 2.264 40 0 GEABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(F)c(OC)c1 ZINC000408680639 533898714 /nfs/dbraw/zinc/89/87/14/533898714.db2.gz ORANCTFNERUNQC-UHFFFAOYSA-N 0 1 399.396 2.439 40 0 GEABMN COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4ccc(C(=O)[O-])cc4)C[C@H]32)cc1 ZINC000067897206 560050241 /nfs/dbraw/zinc/05/02/41/560050241.db2.gz SYJFGLICDHZGHQ-UXHICEINSA-N 0 1 396.443 2.005 40 0 biogenic,in-vitro GEABMN c1c(CC2(NCc3ccc4c(c3)OCO4)COC2)noc1CN1CCCCC1 ZINC000072321962 560076373 /nfs/dbraw/zinc/07/63/73/560076373.db2.gz XYCLDOHBKDYANW-UHFFFAOYSA-N 0 1 385.464 2.491 40 0 biogenic,in-vitro GEABMN CCCN1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424705 560081127 /nfs/dbraw/zinc/08/11/27/560081127.db2.gz BQKLWZWRADQZRN-INIZCTEOSA-N 0 1 384.484 2.380 40 0 biogenic,in-vitro GEABMN Cc1cnc(Nc2cc([C@H]3CN(C(=O)c4ccn[nH]4)CCO3)nc(C)n2)s1 ZINC000585263622 570231946 /nfs/dbraw/zinc/23/19/46/570231946.db2.gz WGQAWMYPFYUZCM-CQSZACIVSA-N 0 1 385.453 2.230 40 0 GEABMN COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCCO)cc2)cc1 ZINC000585270493 570239058 /nfs/dbraw/zinc/23/90/58/570239058.db2.gz XVANBVKHJSRQGK-GOSISDBHSA-N 0 1 375.465 2.328 40 0 GEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCC2)s1 ZINC000224046039 570495915 /nfs/dbraw/zinc/49/59/15/570495915.db2.gz WVYFIWGRLREMPO-UHFFFAOYSA-N 0 1 392.572 2.477 40 0 GEABMN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000042674683 570621874 /nfs/dbraw/zinc/62/18/74/570621874.db2.gz JWROVXGXRNRMRX-UHFFFAOYSA-N 0 1 383.447 2.068 40 0 GEABMN Cc1c(C(=O)NCCCN2Cc3ccccc3C2)sc2ncn(C)c(=O)c12 ZINC000012193338 570622087 /nfs/dbraw/zinc/62/20/87/570622087.db2.gz RSBGPXFRBODGSW-UHFFFAOYSA-N 0 1 382.489 2.439 40 0 GEABMN COc1ccc(-c2nnsc2C(=O)NCCSc2nnc(C)[nH]2)cc1 ZINC000225887364 570630975 /nfs/dbraw/zinc/63/09/75/570630975.db2.gz YEKVYZDTJHNSLK-UHFFFAOYSA-N 0 1 376.467 2.162 40 0 GEABMN C=C1N=C(SCC(N)=O)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991930 570690564 /nfs/dbraw/zinc/69/05/64/570690564.db2.gz RMWKXTFBZFVQPA-MRXNPFEDSA-N 0 1 377.466 2.141 40 0 GEABMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000222365377 570726935 /nfs/dbraw/zinc/72/69/35/570726935.db2.gz XVFDNPQFWIJIKA-RTXPOLOASA-N 0 1 387.439 2.113 40 0 GEABMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000005899757 570735837 /nfs/dbraw/zinc/73/58/37/570735837.db2.gz HLJRFYITFQAFOO-NBVRZTHBSA-N 0 1 393.468 2.355 40 0 GEABMN C[C@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000257229322 570764649 /nfs/dbraw/zinc/76/46/49/570764649.db2.gz FXQFTCOQCYFHFX-KBPBESRZSA-N 0 1 376.501 2.411 40 0 GEABMN Clc1ncccc1-c1noc(CN2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000013996436 570869508 /nfs/dbraw/zinc/86/95/08/570869508.db2.gz QNQVNKPPBHQDTQ-CQSZACIVSA-N 0 1 377.876 2.329 40 0 GEABMN CCOC(=O)CCc1c(C)[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c1O ZINC000014607076 570893074 /nfs/dbraw/zinc/89/30/74/570893074.db2.gz MEJDOYFKNLXGOY-UHFFFAOYSA-N 0 1 398.444 2.421 40 0 GEABMN Cc1ccccc1C(=O)Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C ZINC000408534294 231054041 /nfs/dbraw/zinc/05/40/41/231054041.db2.gz QEJMNLGYYKJRCH-UHFFFAOYSA-N 0 1 393.491 2.190 40 0 GEABMN COc1cccc(/C=C2/NC(=O)NC2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409049999 231151636 /nfs/dbraw/zinc/15/16/36/231151636.db2.gz RXDCAQGBBZEHIA-XNTDXEJSSA-N 0 1 381.388 2.201 40 0 GEABMN CN1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000022830006 531592457 /nfs/dbraw/zinc/59/24/57/531592457.db2.gz CNPSRUUHHMVTSJ-UHFFFAOYSA-N 0 1 380.341 2.050 40 0 GEABMN Cc1ccc(CN2C[C@H]3[C@@H](C2)CN(Cc2csc(C)n2)S3(=O)=O)s1 ZINC000306141105 209106930 /nfs/dbraw/zinc/10/69/30/209106930.db2.gz VLLYTARBLFGMEH-BBRMVZONSA-N 0 1 383.564 2.467 40 0 GEABMN Cc1csc(NC(=O)CN2CCC(c3nnc(-c4cccnc4)[nH]3)CC2)n1 ZINC000019240262 207111898 /nfs/dbraw/zinc/11/18/98/207111898.db2.gz XJEXFLAODTYKIZ-UHFFFAOYSA-N 0 1 383.481 2.450 40 0 GEABMN C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000019497351 207125009 /nfs/dbraw/zinc/12/50/09/207125009.db2.gz UIUMOVFVZWOTHX-HOTGVXAUSA-N 0 1 383.496 2.434 40 0 GEABMN CC(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3cc(C(C)C)[nH]n3)ncc2C1 ZINC000019451827 207121493 /nfs/dbraw/zinc/12/14/93/207121493.db2.gz HVZKDVMOALJCFI-GOSISDBHSA-N 0 1 382.468 2.205 40 0 GEABMN COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)cc1OC ZINC000019560517 207134285 /nfs/dbraw/zinc/13/42/85/207134285.db2.gz FPTCPPDTMIMYFW-GOSISDBHSA-N 0 1 396.491 2.436 40 0 GEABMN C[C@]12CN(Cc3[nH]nnc3-c3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576459 207138409 /nfs/dbraw/zinc/13/84/09/207138409.db2.gz CGVXMIPSTSVZQZ-GCJKJVERSA-N 0 1 387.443 2.289 40 0 GEABMN Cc1n[nH]c(C)c1CC(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C ZINC000019578827 207138448 /nfs/dbraw/zinc/13/84/48/207138448.db2.gz ZXRKEWFIEUTPDT-UHFFFAOYSA-N 0 1 398.486 2.450 40 0 GEABMN Cc1ccc2c(=O)c(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)c[n-]c2[nH+]1 ZINC000019666362 207147438 /nfs/dbraw/zinc/14/74/38/207147438.db2.gz DFMVBFYRWQGNLX-MRXNPFEDSA-N 0 1 378.432 2.448 40 0 GEABMN CN1CCN([C@H](CNC(=O)[C@H]2OCOc3ccccc32)c2ccccc2)CC1 ZINC000019589806 207142493 /nfs/dbraw/zinc/14/24/93/207142493.db2.gz TVLVLIMVLCQIMX-CTNGQTDRSA-N 0 1 381.476 2.199 40 0 GEABMN NC(=O)C1CCN(C(=O)CN2CCC(COc3ccc(Cl)cc3)CC2)CC1 ZINC000019659186 207144993 /nfs/dbraw/zinc/14/49/93/207144993.db2.gz XPUKXTBJUHCQJT-UHFFFAOYSA-N 0 1 393.915 2.155 40 0 GEABMN CCOCc1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCN(C)CC3)cc1 ZINC000019710636 207152001 /nfs/dbraw/zinc/15/20/01/207152001.db2.gz RPWONGJAEHSSAV-GOSISDBHSA-N 0 1 383.496 2.280 40 0 GEABMN CNc1nc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)nc2c1CNCC2 ZINC000019711497 207152736 /nfs/dbraw/zinc/15/27/36/207152736.db2.gz REDNBDNDNYAGGI-AWEZNQCLSA-N 0 1 398.486 2.121 40 0 GEABMN CN(C)c1ncc(CN2CC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1 ZINC000019748156 207157290 /nfs/dbraw/zinc/15/72/90/207157290.db2.gz AVDFOPJNLXJZGL-SFHVURJKSA-N 0 1 392.507 2.205 40 0 GEABMN CN1CCn2c(nnc2C2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)C1 ZINC000072372076 208006223 /nfs/dbraw/zinc/00/62/23/208006223.db2.gz FZFPLOFCQWIQEQ-UHFFFAOYSA-N 0 1 394.523 2.344 40 0 GEABMN COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nnc2n1CCN(C)C2 ZINC000072374037 208009804 /nfs/dbraw/zinc/00/98/04/208009804.db2.gz APDWSZPJWIZSPA-QGZVFWFLSA-N 0 1 383.496 2.419 40 0 GEABMN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056062 208258055 /nfs/dbraw/zinc/25/80/55/208258055.db2.gz GGRQJEAOAIVDGK-RXVVDRJESA-N 0 1 381.480 2.153 40 0 GEABMN COc1ccc(CN2CC[C@@H]3NS(=O)(=O)c4ccccc4O[C@H]3CC2)cc1 ZINC000096263851 208298168 /nfs/dbraw/zinc/29/81/68/208298168.db2.gz WANPWGSNJPDIAZ-ROUUACIJSA-N 0 1 388.489 2.399 40 0 GEABMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000100207762 208373058 /nfs/dbraw/zinc/37/30/58/208373058.db2.gz XIRZRIMQXCVAIQ-IDVKNYFZSA-N 0 1 391.402 2.257 40 0 GEABMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000100207762 208373066 /nfs/dbraw/zinc/37/30/66/208373066.db2.gz XIRZRIMQXCVAIQ-IDVKNYFZSA-N 0 1 391.402 2.257 40 0 GEABMN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CCN(Cc1ccco1)C2 ZINC000306137653 209104685 /nfs/dbraw/zinc/10/46/85/209104685.db2.gz RCKZGFBGNQBWHV-NRFANRHFSA-N 0 1 398.511 2.024 40 0 GEABMN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1ccc(F)cc1 ZINC000306137853 209104090 /nfs/dbraw/zinc/10/40/90/209104090.db2.gz RIHATXZVVNRGIZ-KZNAEPCWSA-N 0 1 382.501 2.089 40 0 GEABMN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306133498 209102673 /nfs/dbraw/zinc/10/26/73/209102673.db2.gz MNHIZMHJQVXFEA-IRLDBZIGSA-N 0 1 378.476 2.084 40 0 GEABMN CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000306131866 209102167 /nfs/dbraw/zinc/10/21/67/209102167.db2.gz KRNPGZWSYHJDSK-IBGZPJMESA-N 0 1 396.539 2.346 40 0 GEABMN CCN1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2)CC1 ZINC000019528061 208805978 /nfs/dbraw/zinc/80/59/78/208805978.db2.gz VJUMZLSOAVGTPF-OAQYLSRUSA-N 0 1 392.507 2.457 40 0 GEABMN Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1C ZINC000225180359 208943704 /nfs/dbraw/zinc/94/37/04/208943704.db2.gz YWHDDUANBWKOQN-UHFFFAOYSA-N 0 1 398.510 2.107 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2cc(CC)ccc2CC)s1 ZINC000225750958 208973304 /nfs/dbraw/zinc/97/33/04/208973304.db2.gz BXNSWPCHOOSXDN-UHFFFAOYSA-N 0 1 382.511 2.490 40 0 GEABMN c1cc2c(cc1CN1CC[C@@]3(C1)COCc1cnc(NC4CC4)nc13)OCCO2 ZINC000253596910 209044483 /nfs/dbraw/zinc/04/44/83/209044483.db2.gz XYOJRNCUNQMWTO-JOCHJYFZSA-N 0 1 394.475 2.496 40 0 GEABMN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(Cc2ccccc2F)C1 ZINC000096244581 136185688 /nfs/dbraw/zinc/18/56/88/136185688.db2.gz JGPXZPDZXDFANN-QFIPXVFZSA-N 0 1 398.482 2.435 40 0 GEABMN CN1CCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCCO4)cn2)CC1 ZINC000224051215 136206262 /nfs/dbraw/zinc/20/62/62/136206262.db2.gz YGANHMVGECZRPI-UHFFFAOYSA-N 0 1 399.520 2.091 40 0 GEABMN NC(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCC2)C1 ZINC000257328573 209075941 /nfs/dbraw/zinc/07/59/41/209075941.db2.gz XGFVNUHIQLDROJ-HXUWFJFHSA-N 0 1 393.915 2.299 40 0 GEABMN COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(=O)[O-])C2 ZINC000253504894 560038270 /nfs/dbraw/zinc/03/82/70/560038270.db2.gz MMBJMAQFUGLJPZ-XNWYMUSUSA-N 0 1 383.444 2.000 40 0 biogenic,in-vitro GEABMN COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(=O)[O-])C2 ZINC000031904987 560089455 /nfs/dbraw/zinc/08/94/55/560089455.db2.gz MMBJMAQFUGLJPZ-UPEFBJBZSA-N 0 1 383.444 2.000 40 0 biogenic,in-vitro GEABMN O[C@H]1CN(Cc2ccc(OCCF)cc2)C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000585270520 570239090 /nfs/dbraw/zinc/23/90/90/570239090.db2.gz YTVGKQAVGJSYBK-GOTSBHOMSA-N 0 1 399.510 2.402 40 0 GEABMN CCOc1cc(C(=O)CSc2nc(N)cc(N)n2)ccc1NC(=O)CC ZINC000004171055 570360827 /nfs/dbraw/zinc/36/08/27/570360827.db2.gz UMBXJXUCMURMLK-UHFFFAOYSA-N 0 1 375.454 2.363 40 0 GEABMN CNS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000222982783 570434778 /nfs/dbraw/zinc/43/47/78/570434778.db2.gz OOFAWYDCSWAMEB-UHFFFAOYSA-N 0 1 384.479 2.021 40 0 GEABMN CCN1CCN([C@@H](c2nnnn2Cc2ccco2)c2ccc(OC)cc2)CC1 ZINC000035311170 570471530 /nfs/dbraw/zinc/47/15/30/570471530.db2.gz PVDBKLVPDGPXHK-LJQANCHMSA-N 0 1 382.468 2.050 40 0 GEABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000043730356 570532877 /nfs/dbraw/zinc/53/28/77/570532877.db2.gz FWFOKESFNUMURE-RXKDXDIWSA-N 0 1 387.455 2.391 40 0 GEABMN CN1CCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)CC1 ZINC000011103373 570575265 /nfs/dbraw/zinc/57/52/65/570575265.db2.gz AWRVJCNIVLINRY-UHFFFAOYSA-N 0 1 385.493 2.049 40 0 GEABMN Cc1n[nH]c(-n2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)n1 ZINC000040398109 570601808 /nfs/dbraw/zinc/60/18/08/570601808.db2.gz PYRXHDVJIXWCQZ-UHFFFAOYSA-N 0 1 378.783 2.175 40 0 GEABMN CN(Cc1n[nH]c2c1CCCC2)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012143733 570615256 /nfs/dbraw/zinc/61/52/56/570615256.db2.gz XJTRAQJILSSDSP-UHFFFAOYSA-N 0 1 398.507 2.158 40 0 GEABMN COc1ccccc1CC(=O)NCCN1CCC(O)(c2cccc(F)c2)CC1 ZINC000012290865 570632909 /nfs/dbraw/zinc/63/29/09/570632909.db2.gz QQASRBICLRWNQG-UHFFFAOYSA-N 0 1 386.467 2.477 40 0 GEABMN Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cc(CCOc3ccccc3)[nH]n2)C1 ZINC000257234384 570766104 /nfs/dbraw/zinc/76/61/04/570766104.db2.gz GTHGRZCVAKFMKO-FQEVSTJZSA-N 0 1 395.463 2.287 40 0 GEABMN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000072337469 570880061 /nfs/dbraw/zinc/88/00/61/570880061.db2.gz IUSBEIGUMNXQIL-HPFXQQBRSA-N 0 1 383.496 2.125 40 0 GEABMN Cc1snnc1C(=O)N1CCN2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000585107953 570939736 /nfs/dbraw/zinc/93/97/36/570939736.db2.gz LHMLTRHEWFBVOT-LSDHHAIUSA-N 0 1 376.457 2.101 40 0 GEABMN CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)[C@H]2CCCCN2C)CC3)c1 ZINC000585111143 570945176 /nfs/dbraw/zinc/94/51/76/570945176.db2.gz GPAMENRAEFPQIU-LJQANCHMSA-N 0 1 395.507 2.378 40 0 GEABMN C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022917840 570962234 /nfs/dbraw/zinc/96/22/34/570962234.db2.gz FOOABQKFWPGKMA-NZSAHSFTSA-N 0 1 376.497 2.099 40 0 GEABMN C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022917828 570962318 /nfs/dbraw/zinc/96/23/18/570962318.db2.gz FOOABQKFWPGKMA-NEWSRXKRSA-N 0 1 376.497 2.099 40 0 GEABMN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 ZINC000408602772 529895339 /nfs/dbraw/zinc/89/53/39/529895339.db2.gz IXEJEPHDOKTNEN-CYBMUJFWSA-N 0 1 378.450 2.318 40 0 GEABMN OCCCNc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000328990864 206239101 /nfs/dbraw/zinc/23/91/01/206239101.db2.gz IPKSMZMLCKGCJQ-UHFFFAOYSA-N 0 1 377.286 2.367 40 0 GEABMN C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000016042582 207071660 /nfs/dbraw/zinc/07/16/60/207071660.db2.gz RTWNEQGTCXTFAH-XIVQJJCGSA-N 0 1 381.819 2.285 40 0 GEABMN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@]2(CCc3ccccc3O2)CC1 ZINC000019020123 207100772 /nfs/dbraw/zinc/10/07/72/207100772.db2.gz JBTJHRNTKMJDID-KNQAVFIVSA-N 0 1 396.491 2.233 40 0 GEABMN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)on1 ZINC000019119901 207102957 /nfs/dbraw/zinc/10/29/57/207102957.db2.gz RBTCMUYUTILMRH-INIZCTEOSA-N 0 1 385.468 2.200 40 0 GEABMN Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)on1 ZINC000019119901 207102960 /nfs/dbraw/zinc/10/29/60/207102960.db2.gz RBTCMUYUTILMRH-INIZCTEOSA-N 0 1 385.468 2.200 40 0 GEABMN O=C(CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)C1CC1)NC1CC1 ZINC000019336199 207117292 /nfs/dbraw/zinc/11/72/92/207117292.db2.gz KBDCJVNKPCWVOQ-UFYCRDLUSA-N 0 1 385.483 2.131 40 0 GEABMN CN1CCN([C@@H](CNC(=O)[C@H]2OCOc3ccccc32)c2ccccc2)CC1 ZINC000019589805 207140774 /nfs/dbraw/zinc/14/07/74/207140774.db2.gz TVLVLIMVLCQIMX-FPOVZHCZSA-N 0 1 381.476 2.199 40 0 GEABMN Cc1nc([C@@H]2CCCN(Cc3ccccn3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764010 207161587 /nfs/dbraw/zinc/16/15/87/207161587.db2.gz UROBLZDSFCFFDH-QGZVFWFLSA-N 0 1 381.480 2.032 40 0 GEABMN Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)ncc1C(=O)NCc1ccccc1 ZINC000019764479 207161685 /nfs/dbraw/zinc/16/16/85/207161685.db2.gz FVQRFXXJEPBYTJ-IBGZPJMESA-N 0 1 395.507 2.330 40 0 GEABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c3c(n2)C[C@H](C)CC3=O)cc1 ZINC000020633940 207208406 /nfs/dbraw/zinc/20/84/06/207208406.db2.gz VUXYHJIFEPCKFJ-JTQLQIEISA-N 0 1 388.449 2.309 40 0 GEABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c3c(n2)C[C@@H](C)CC3=O)cc1 ZINC000020633943 207209348 /nfs/dbraw/zinc/20/93/48/207209348.db2.gz VUXYHJIFEPCKFJ-SNVBAGLBSA-N 0 1 388.449 2.309 40 0 GEABMN CN1CCn2c(nnc2C2CCN(C(=O)c3cccc4cccnc43)CC2)C1 ZINC000072372090 208006529 /nfs/dbraw/zinc/00/65/29/208006529.db2.gz FXLQICUUVLGWDA-UHFFFAOYSA-N 0 1 376.464 2.292 40 0 GEABMN CN1CCn2c(nnc2C2CCN(C(=O)c3ccc4ncccc4c3)CC2)C1 ZINC000072372071 208007037 /nfs/dbraw/zinc/00/70/37/208007037.db2.gz LMDAICKYZZYKQL-UHFFFAOYSA-N 0 1 376.464 2.292 40 0 GEABMN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056061 208259072 /nfs/dbraw/zinc/25/90/72/208259072.db2.gz ATOBUPBROVFENY-UWJYYQICSA-N 0 1 381.480 2.153 40 0 GEABMN CN1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000096156619 208279724 /nfs/dbraw/zinc/27/97/24/208279724.db2.gz KDFUMBVEXLJDMF-GOSISDBHSA-N 0 1 382.512 2.054 40 0 GEABMN CCCNC(=O)c1ccc2nnc([C@@H]3CN(CC4CC4)CCN3C(C)C)n2c1 ZINC000096268077 208300431 /nfs/dbraw/zinc/30/04/31/208300431.db2.gz WPWHBPIUFWCOST-SFHVURJKSA-N 0 1 384.528 2.346 40 0 GEABMN c1csc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)n1 ZINC000096296432 209014363 /nfs/dbraw/zinc/01/43/63/209014363.db2.gz CUDMQVVZKRGUQN-AWEZNQCLSA-N 0 1 384.461 2.466 40 0 biogenic,in-vitro GEABMN Cc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cn(CC(=O)[O-])c4ccccc34)C1)COC2 ZINC000247983348 209030762 /nfs/dbraw/zinc/03/07/62/209030762.db2.gz YCRLOHRKVMBTHS-QFIPXVFZSA-N 0 1 392.459 2.498 40 0 GEABMN CCc1n[nH]c(C(=O)NCc2ccc([C@@H]3NC(=O)N[C@H]4OCCC[C@@H]34)cc2)c1C ZINC000257201767 209055904 /nfs/dbraw/zinc/05/59/04/209055904.db2.gz AIZNJVAKWZPKKK-QSFXBCCZSA-N 0 1 397.479 2.317 40 0 GEABMN NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000257278503 209065779 /nfs/dbraw/zinc/06/57/79/209065779.db2.gz OCMPRRCDBBCJDD-UHFFFAOYSA-N 0 1 376.844 2.240 40 0 GEABMN CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C[C@@H](CO)C1 ZINC000257292781 209069408 /nfs/dbraw/zinc/06/94/08/209069408.db2.gz QMYGJONTDLYMNE-GOSISDBHSA-N 0 1 382.460 2.324 40 0 GEABMN Cc1cc(O)c(-c2ccnc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c23)c(=O)o1 ZINC000102273531 136189889 /nfs/dbraw/zinc/18/98/89/136189889.db2.gz SPEPFFKFKYLFQI-GHMZBOCLSA-N 0 1 382.420 2.435 40 0 GEABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1C ZINC000408602818 528229181 /nfs/dbraw/zinc/22/91/81/528229181.db2.gz JBJWXKRRJAKJFH-UHFFFAOYSA-N 0 1 376.434 2.332 40 0 GEABMN CCN1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225427117 560042863 /nfs/dbraw/zinc/04/28/63/560042863.db2.gz JYAIPZONCQCICW-UHFFFAOYSA-N 0 1 387.553 2.164 40 0 biogenic,in-vitro GEABMN O[C@@H]1[C@@H](Oc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cnc2ccccc2c1 ZINC000012483187 560212161 /nfs/dbraw/zinc/21/21/61/560212161.db2.gz MNPVQXBKZKZFSV-QMCAAQAGSA-N 0 1 378.428 2.257 40 0 biogenic,in-vitro GEABMN COC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022939734 570396423 /nfs/dbraw/zinc/39/64/23/570396423.db2.gz VUXJRJFQQYTVDK-HXUWFJFHSA-N 0 1 384.476 2.031 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)s1 ZINC000223005940 570437049 /nfs/dbraw/zinc/43/70/49/570437049.db2.gz VMBZXMXJFIKJQD-JTQLQIEISA-N 0 1 380.495 2.415 40 0 GEABMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2o1 ZINC000223327859 570458621 /nfs/dbraw/zinc/45/86/21/570458621.db2.gz DZQVEYOAGKLGND-UHFFFAOYSA-N 0 1 382.781 2.347 40 0 GEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCC2)s1 ZINC000223637596 570475889 /nfs/dbraw/zinc/47/58/89/570475889.db2.gz HWSPWIBJIGEGEU-UHFFFAOYSA-N 0 1 390.531 2.150 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)s1 ZINC000224635005 570521532 /nfs/dbraw/zinc/52/15/32/570521532.db2.gz PTXOMRXVARLWML-GFCCVEGCSA-N 0 1 396.494 2.386 40 0 GEABMN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccncc2)CC1 ZINC000012144043 570615524 /nfs/dbraw/zinc/61/55/24/570615524.db2.gz YNJGEKLIJMQHQD-UHFFFAOYSA-N 0 1 382.489 2.394 40 0 GEABMN COc1cc(CN2CCC(O)(c3ccccc3F)CC2)ccc1OCC(N)=O ZINC000012240486 570629995 /nfs/dbraw/zinc/62/99/95/570629995.db2.gz UPBMRILTTJOMAL-UHFFFAOYSA-N 0 1 388.439 2.182 40 0 GEABMN Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3)[nH]n2)C1 ZINC000257234385 570766233 /nfs/dbraw/zinc/76/62/33/570766233.db2.gz GTHGRZCVAKFMKO-HXUWFJFHSA-N 0 1 395.463 2.287 40 0 GEABMN N[C@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218218929 570816861 /nfs/dbraw/zinc/81/68/61/570816861.db2.gz JNNYBHRAKXTHCD-OWCLPIDISA-N 0 1 382.279 2.079 40 0 GEABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225672231 532488051 /nfs/dbraw/zinc/48/80/51/532488051.db2.gz DSGXWDYCHISAQE-UHFFFAOYSA-N 0 1 378.431 2.187 40 0 GEABMN COc1ncccc1CN1CC[C@@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 ZINC000306144232 209108417 /nfs/dbraw/zinc/10/84/17/209108417.db2.gz YZXFVRPWNKPCMQ-JOCHJYFZSA-N 0 1 389.459 2.256 40 0 GEABMN C[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000329067261 206243595 /nfs/dbraw/zinc/24/35/95/206243595.db2.gz YHCPMIVXMZHOTJ-LLVKDONJSA-N 0 1 377.286 2.365 40 0 GEABMN CC(=O)N1CCc2nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)CC3)ncc2C1 ZINC000019451765 207122098 /nfs/dbraw/zinc/12/20/98/207122098.db2.gz BAHLDWLITKHKJI-UHFFFAOYSA-N 0 1 396.495 2.248 40 0 GEABMN COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)n[nH]2)c1 ZINC000019566585 207135658 /nfs/dbraw/zinc/13/56/58/207135658.db2.gz YBHZMIRXYUFSKC-UHFFFAOYSA-N 0 1 377.448 2.438 40 0 GEABMN CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019591546 207142236 /nfs/dbraw/zinc/14/22/36/207142236.db2.gz MNBHPACRFGPLBL-JOCHJYFZSA-N 0 1 389.459 2.293 40 0 GEABMN CCn1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)OC)cc2oc1=O ZINC000019936804 207171101 /nfs/dbraw/zinc/17/11/01/207171101.db2.gz UTVMBCJGZLBHDU-UHFFFAOYSA-N 0 1 376.390 2.202 40 0 GEABMN CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)CN2CCCC2)cc1C(F)(F)F ZINC000072356157 208000067 /nfs/dbraw/zinc/00/00/67/208000067.db2.gz OYTZWBFCMOEDRX-KRWDZBQOSA-N 0 1 398.429 2.496 40 0 GEABMN CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355062 208001985 /nfs/dbraw/zinc/00/19/85/208001985.db2.gz DMIJMEITXXKJGY-GOSISDBHSA-N 0 1 385.487 2.205 40 0 GEABMN C[C@@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000072373103 208004666 /nfs/dbraw/zinc/00/46/66/208004666.db2.gz GAXWQFPSCCAMEE-KURKYZTESA-N 0 1 386.540 2.406 40 0 GEABMN CC(=O)NCC(=O)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371544 208005226 /nfs/dbraw/zinc/00/52/26/208005226.db2.gz YWRDULKGBUEPJE-CQSZACIVSA-N 0 1 390.871 2.137 40 0 GEABMN Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1c1nnc2n1CCN(C)C2 ZINC000072373997 208007788 /nfs/dbraw/zinc/00/77/88/208007788.db2.gz FUXXFRGQROKJMA-KRWDZBQOSA-N 0 1 383.496 2.473 40 0 GEABMN Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCN(C)C3)ccc1F ZINC000072373991 208009502 /nfs/dbraw/zinc/00/95/02/208009502.db2.gz QGEFSCWVFXDPLV-INIZCTEOSA-N 0 1 393.488 2.087 40 0 GEABMN O=C(Cc1ccccc1)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380614 208013048 /nfs/dbraw/zinc/01/30/48/208013048.db2.gz MWEMEPCMNLOEDP-LJQANCHMSA-N 0 1 382.464 2.178 40 0 GEABMN Cc1cnc(CNC(=O)[C@@H]2C[C@]3(CO2)c2ccccc2CN3CC2CC2)cn1 ZINC000096143903 208272114 /nfs/dbraw/zinc/27/21/14/208272114.db2.gz KHHSVEHTIMWLNI-UNMCSNQZSA-N 0 1 378.476 2.311 40 0 GEABMN CN(C)S(=O)(=O)N1CCC2(CC1)CN(Cc1ccco1)Cc1ccccc12 ZINC000096242496 208292804 /nfs/dbraw/zinc/29/28/04/208292804.db2.gz SCDBLAPTIPXUID-UHFFFAOYSA-N 0 1 389.521 2.435 40 0 GEABMN Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](c2nc[nH]n2)CN3S(C)(=O)=O)cc1 ZINC000096267771 208299423 /nfs/dbraw/zinc/29/94/23/208299423.db2.gz YANOTBVFXVNTQR-INIZCTEOSA-N 0 1 397.460 2.277 40 0 GEABMN CCn1cc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306131656 209102781 /nfs/dbraw/zinc/10/27/81/209102781.db2.gz KLHYNOXBXQLVCG-SFHVURJKSA-N 0 1 395.511 2.162 40 0 GEABMN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306128788 209099159 /nfs/dbraw/zinc/09/91/59/209099159.db2.gz HKJNKNPWEYEKEQ-UNMCSNQZSA-N 0 1 378.476 2.084 40 0 GEABMN c1cc2c(cc1CN1CC[C@]3(C1)COCc1cnc(NC4CC4)nc13)OCCO2 ZINC000253596911 209042973 /nfs/dbraw/zinc/04/29/73/209042973.db2.gz XYOJRNCUNQMWTO-QFIPXVFZSA-N 0 1 394.475 2.496 40 0 GEABMN Cc1nonc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000257305931 209072680 /nfs/dbraw/zinc/07/26/80/209072680.db2.gz SSDNMZCMDPHVDY-FQEVSTJZSA-N 0 1 396.451 2.121 40 0 GEABMN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(Cc1ccccn1)CC2 ZINC000257333685 209077992 /nfs/dbraw/zinc/07/79/92/209077992.db2.gz YCPUTPHBXAWTAU-DNVJHFABSA-N 0 1 392.503 2.382 40 0 GEABMN CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CCOc2cccc(F)c2)C1 ZINC000072344740 222233279 /nfs/dbraw/zinc/23/32/79/222233279.db2.gz HUUDCHVMRQNEBC-AWEZNQCLSA-N 0 1 388.443 2.426 40 0 GEABMN COc1ccccc1OCC(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000072390784 222247242 /nfs/dbraw/zinc/24/72/42/222247242.db2.gz OHMUMGZTNMLIHX-KRWDZBQOSA-N 0 1 382.464 2.264 40 0 GEABMN COC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2OC)cc(C(=O)OC)c1 ZINC000408586350 533893022 /nfs/dbraw/zinc/89/30/22/533893022.db2.gz NTQTUGOCNLORII-UHFFFAOYSA-N 0 1 393.417 2.378 40 0 GEABMN Cc1nc(C2CCN(Cc3cccnc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766256 570217791 /nfs/dbraw/zinc/21/77/91/570217791.db2.gz IOGPYOZRZACXSB-UHFFFAOYSA-N 0 1 381.480 2.032 40 0 GEABMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000103561859 570413077 /nfs/dbraw/zinc/41/30/77/570413077.db2.gz XVFDNPQFWIJIKA-QPXQOZNCSA-N 0 1 387.439 2.113 40 0 GEABMN COc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C(C)=O)cc1OC ZINC000223313431 570458122 /nfs/dbraw/zinc/45/81/22/570458122.db2.gz GNISGHCJVPTFCX-UHFFFAOYSA-N 0 1 392.389 2.142 40 0 GEABMN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C2CCCCCC2)CC1 ZINC000035311628 570467207 /nfs/dbraw/zinc/46/72/07/570467207.db2.gz VFABAJXIFMVKKK-UHFFFAOYSA-N 0 1 380.510 2.487 40 0 GEABMN COc1cccc(-c2noc(CNS(=O)(=O)c3cc(F)ccc3OC)n2)c1 ZINC000223781950 570484272 /nfs/dbraw/zinc/48/42/72/570484272.db2.gz JUZISSGMXGGWSY-UHFFFAOYSA-N 0 1 393.396 2.371 40 0 GEABMN CCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)CC)s1 ZINC000224725825 570527061 /nfs/dbraw/zinc/52/70/61/570527061.db2.gz HVBUXOYRTOBRHU-UHFFFAOYSA-N 0 1 398.510 2.196 40 0 GEABMN Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225705234 570606496 /nfs/dbraw/zinc/60/64/96/570606496.db2.gz AKYQOJHQDHXAMT-LBPRGKRZSA-N 0 1 398.510 2.187 40 0 GEABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000055551139 570696728 /nfs/dbraw/zinc/69/67/28/570696728.db2.gz NPWPFQIMHQTEDI-UHFFFAOYSA-N 0 1 390.461 2.343 40 0 GEABMN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)s1 ZINC000585099970 570926464 /nfs/dbraw/zinc/92/64/64/570926464.db2.gz BNASFJNQOOTCCU-GOSISDBHSA-N 0 1 399.582 2.152 40 0 GEABMN C[C@@H]1CCC[C@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022823147 570962106 /nfs/dbraw/zinc/96/21/06/570962106.db2.gz FOOABQKFWPGKMA-BHIYHBOVSA-N 0 1 376.497 2.099 40 0 GEABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 ZINC000253403962 206283362 /nfs/dbraw/zinc/28/33/62/206283362.db2.gz QSRAXLIKHQWSMY-VWNXMTODSA-N 0 1 393.531 2.009 40 0 biogenic,in-vitro GEABMN COc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)c(C)c1C ZINC000019577388 207138030 /nfs/dbraw/zinc/13/80/30/207138030.db2.gz CRYQBGLZDWOJRX-UHFFFAOYSA-N 0 1 377.448 2.411 40 0 GEABMN COc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)c(C)c1C ZINC000019577388 207138033 /nfs/dbraw/zinc/13/80/33/207138033.db2.gz CRYQBGLZDWOJRX-UHFFFAOYSA-N 0 1 377.448 2.411 40 0 GEABMN CCOc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1 ZINC000019533391 207131533 /nfs/dbraw/zinc/13/15/33/207131533.db2.gz KMIHVQHKGJMMCN-UHFFFAOYSA-N 0 1 377.448 2.226 40 0 GEABMN CCOc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1 ZINC000019533391 207131536 /nfs/dbraw/zinc/13/15/36/207131536.db2.gz KMIHVQHKGJMMCN-UHFFFAOYSA-N 0 1 377.448 2.226 40 0 GEABMN Cc1c(C(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)cnn1C ZINC000019553475 207132946 /nfs/dbraw/zinc/13/29/46/207132946.db2.gz IPRKWAQOBCMMBL-UHFFFAOYSA-N 0 1 384.459 2.223 40 0 GEABMN CNc1nc([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc2c1CNCC2 ZINC000019711491 207152298 /nfs/dbraw/zinc/15/22/98/207152298.db2.gz UTOJYFDTCVSVHK-AWEZNQCLSA-N 0 1 398.486 2.121 40 0 GEABMN Cc1nc(C2CCN(Cc3ccccn3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019752008 207159823 /nfs/dbraw/zinc/15/98/23/207159823.db2.gz PUSLHDWDKGIWIE-UHFFFAOYSA-N 0 1 381.480 2.032 40 0 GEABMN CN([C@@H]1CCCN(Cc2cnn(C)c2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000019749689 207159139 /nfs/dbraw/zinc/15/91/39/207159139.db2.gz GTQHUJWTHCQLAV-LJQANCHMSA-N 0 1 376.526 2.236 40 0 GEABMN O=C(c1c[nH]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022233963 207249134 /nfs/dbraw/zinc/24/91/34/207249134.db2.gz MTGPQJDMSPPIFL-UHFFFAOYSA-N 0 1 391.427 2.215 40 0 GEABMN C[C@@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000072373105 208006250 /nfs/dbraw/zinc/00/62/50/208006250.db2.gz GAXWQFPSCCAMEE-SQNIBIBYSA-N 0 1 386.540 2.406 40 0 GEABMN CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000096036568 208253142 /nfs/dbraw/zinc/25/31/42/208253142.db2.gz WZKIKCWFRPVPKN-NRFANRHFSA-N 0 1 388.512 2.098 40 0 GEABMN O=C(c1ccc2ncccc2c1)N1CCO[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096076625 208260756 /nfs/dbraw/zinc/26/07/56/208260756.db2.gz CYCRXHAWAUBNCH-JOCHJYFZSA-N 0 1 381.476 2.188 40 0 GEABMN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306128786 209099490 /nfs/dbraw/zinc/09/94/90/209099490.db2.gz HKJNKNPWEYEKEQ-IRLDBZIGSA-N 0 1 378.476 2.084 40 0 GEABMN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CCC4)CC[C@H]3[N@H+]2C)cc1 ZINC000306123194 209095843 /nfs/dbraw/zinc/09/58/43/209095843.db2.gz AGVPRIIBFSVRMK-RLLQIKCJSA-N 0 1 385.508 2.033 40 0 GEABMN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CCC4)CC[C@H]3N2C)cc1 ZINC000306123194 209095846 /nfs/dbraw/zinc/09/58/46/209095846.db2.gz AGVPRIIBFSVRMK-RLLQIKCJSA-N 0 1 385.508 2.033 40 0 GEABMN O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1)c1ccccc1 ZINC000257258721 209062620 /nfs/dbraw/zinc/06/26/20/209062620.db2.gz KVFOAMPJKURCEU-CGXNFDGLSA-N 0 1 381.476 2.247 40 0 GEABMN CC(C)(C)CCN1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 ZINC000604381914 570352661 /nfs/dbraw/zinc/35/26/61/570352661.db2.gz VAGDNYTUVFUEOC-QGZVFWFLSA-N 0 1 389.515 2.473 40 0 biogenic,in-vitro GEABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)CC(C)C)c1 ZINC000057314125 570360079 /nfs/dbraw/zinc/36/00/79/570360079.db2.gz VRNXCKLBUZUZOT-UHFFFAOYSA-N 0 1 392.525 2.084 40 0 GEABMN C/C=C1\C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC[C@H](O)CO)cc21 ZINC000004366954 570371445 /nfs/dbraw/zinc/37/14/45/570371445.db2.gz MFOCUXNEPWLHOJ-GFUJKDQISA-N 0 1 384.476 2.041 40 0 GEABMN Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000222841770 570428728 /nfs/dbraw/zinc/42/87/28/570428728.db2.gz ZFDRHCBZISIZRQ-UHFFFAOYSA-N 0 1 398.510 2.188 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000223283489 570456349 /nfs/dbraw/zinc/45/63/49/570456349.db2.gz QZKZWAIVNHURGI-NSHDSACASA-N 0 1 396.494 2.467 40 0 GEABMN COc1ccc(-c2noc(CNS(=O)(=O)c3cc(F)ccc3OC)n2)cc1 ZINC000223782040 570484228 /nfs/dbraw/zinc/48/42/28/570484228.db2.gz HVUGHQNVDHNVPP-UHFFFAOYSA-N 0 1 393.396 2.371 40 0 GEABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000223825367 570485548 /nfs/dbraw/zinc/48/55/48/570485548.db2.gz QAEVKRLLWYIHJU-UHFFFAOYSA-N 0 1 393.417 2.378 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3cc(OC)ccc32)s1 ZINC000225009661 570542963 /nfs/dbraw/zinc/54/29/63/570542963.db2.gz GBITXCOXRKEUOG-CYBMUJFWSA-N 0 1 396.494 2.251 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCCC2)s1 ZINC000225076911 570547366 /nfs/dbraw/zinc/54/73/66/570547366.db2.gz BKBJJBUOSQFVMR-UHFFFAOYSA-N 0 1 392.572 2.477 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)s1 ZINC000225184726 570554458 /nfs/dbraw/zinc/55/44/58/570554458.db2.gz PSNVVAFQQQNCRW-UHFFFAOYSA-N 0 1 398.510 2.151 40 0 GEABMN CN(C)CC(=O)N1CCCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257230728 570765296 /nfs/dbraw/zinc/76/52/96/570765296.db2.gz GDQNXCFAYVSXPO-CQSZACIVSA-N 0 1 389.525 2.196 40 0 GEABMN COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2cccnc2)cc1 ZINC000011859163 570799226 /nfs/dbraw/zinc/79/92/26/570799226.db2.gz MHTCNOGUVVVRHH-JJRVBVJISA-N 0 1 395.337 2.194 40 0 GEABMN N[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218219065 570817015 /nfs/dbraw/zinc/81/70/15/570817015.db2.gz JNNYBHRAKXTHCD-HRCADAONSA-N 0 1 382.279 2.079 40 0 GEABMN COc1cccc(OC)c1C[N@@H+]1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1 ZINC000019567116 210266610 /nfs/dbraw/zinc/26/66/10/210266610.db2.gz GXOZYXXLGCPIBK-UHFFFAOYSA-N 0 1 392.459 2.450 40 0 GEABMN COc1cccc(OC)c1C[N@H+]1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1 ZINC000019567116 210266613 /nfs/dbraw/zinc/26/66/13/210266613.db2.gz GXOZYXXLGCPIBK-UHFFFAOYSA-N 0 1 392.459 2.450 40 0 GEABMN CCCc1cc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)n[nH]1 ZINC000019525227 210255892 /nfs/dbraw/zinc/25/58/92/210255892.db2.gz SCFULLYBBVHXKD-UHFFFAOYSA-N 0 1 376.482 2.181 40 0 GEABMN Cc1ccc(C(=O)Nc2cc3c(cc2N2CCN(C)CC2)n(C)c(=O)n3C)cc1 ZINC000408530064 231051101 /nfs/dbraw/zinc/05/11/01/231051101.db2.gz INMVFCQOZYQUCR-UHFFFAOYSA-N 0 1 393.491 2.190 40 0 GEABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000019288901 210237779 /nfs/dbraw/zinc/23/77/79/210237779.db2.gz ZYJBEWCJBHMSFM-FQEVSTJZSA-N 0 1 386.471 2.486 40 0 GEABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)cc1 ZINC000013671854 210077351 /nfs/dbraw/zinc/07/73/51/210077351.db2.gz RADFXAGXKXTTIP-UHFFFAOYSA-N 0 1 375.494 2.396 40 0 GEABMN CN1CC2(CCN(Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000063528228 212069839 /nfs/dbraw/zinc/06/98/39/212069839.db2.gz LLEGMMFMMTUPRW-UHFFFAOYSA-N 0 1 387.505 2.377 40 0 GEABMN c1ccc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC000063527483 212069667 /nfs/dbraw/zinc/06/96/67/212069667.db2.gz GFUFPJCNWWWLQN-UHFFFAOYSA-N 0 1 378.480 2.341 40 0 GEABMN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2NC(=O)c1ccc(F)cc1 ZINC000306137851 212053465 /nfs/dbraw/zinc/05/34/65/212053465.db2.gz RIHATXZVVNRGIZ-FGTMMUONSA-N 0 1 382.501 2.089 40 0 GEABMN COc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cnn(C)c4)C2)OC3)c1 ZINC000306139951 212052712 /nfs/dbraw/zinc/05/27/12/212052712.db2.gz UFDDWFHAPZPWDL-NRFANRHFSA-N 0 1 379.464 2.467 40 0 GEABMN CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCCC3)cn21 ZINC000306136266 212051372 /nfs/dbraw/zinc/05/13/72/212051372.db2.gz POJJGCZTEZYYIJ-IBGZPJMESA-N 0 1 396.539 2.442 40 0 GEABMN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3nccs3)C[C@@H]1C2 ZINC000306131296 212049821 /nfs/dbraw/zinc/04/98/21/212049821.db2.gz KAOKTEXIHBRCIE-UONOGXRCSA-N 0 1 380.477 2.291 40 0 GEABMN CN(C)CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257331417 212025600 /nfs/dbraw/zinc/02/56/00/212025600.db2.gz XSTMKHMVWBYMDP-ICSRJNTNSA-N 0 1 387.524 2.247 40 0 GEABMN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1cscn1 ZINC000257322838 212024577 /nfs/dbraw/zinc/02/45/77/212024577.db2.gz WHPOIEJMSYBCFZ-YSHGAJCASA-N 0 1 387.505 2.308 40 0 GEABMN Cn1nccc1CN1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000257300518 212020502 /nfs/dbraw/zinc/02/05/02/212020502.db2.gz RUPBIGAVWOPHSN-FQEVSTJZSA-N 0 1 385.443 2.477 40 0 GEABMN COCCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1C ZINC000257258863 212012829 /nfs/dbraw/zinc/01/28/29/212012829.db2.gz KVVASJBNRJZCON-CTNGQTDRSA-N 0 1 387.524 2.085 40 0 GEABMN CN1CCN(C(=O)c2ccccc2-c2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000257216540 212005673 /nfs/dbraw/zinc/00/56/73/212005673.db2.gz CUYQSOCBFCGTFN-QHCPKHFHSA-N 0 1 390.487 2.369 40 0 GEABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](CC(=O)NCCn4ccnc4)C3)c2c1 ZINC000257216732 212005779 /nfs/dbraw/zinc/00/57/79/212005779.db2.gz CVVZIPUZKCKCPW-INIZCTEOSA-N 0 1 394.479 2.127 40 0 GEABMN CC(C)NC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096268013 211328018 /nfs/dbraw/zinc/32/80/18/211328018.db2.gz MNJVKJDEFBOZPY-LJQANCHMSA-N 0 1 392.507 2.356 40 0 GEABMN C[C@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000072373106 211103815 /nfs/dbraw/zinc/10/38/15/211103815.db2.gz GAXWQFPSCCAMEE-BZSNNMDCSA-N 0 1 386.540 2.406 40 0 GEABMN CC(C)c1nccn1-c1cccc([C@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 ZINC000072379158 211108326 /nfs/dbraw/zinc/10/83/26/211108326.db2.gz CCUGNXOMJDULMK-SFHVURJKSA-N 0 1 397.523 2.429 40 0 GEABMN CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)[nH]n1)C2 ZINC000072390847 211107905 /nfs/dbraw/zinc/10/79/05/211107905.db2.gz AMJMUYGJJIVXPO-GOSISDBHSA-N 0 1 382.468 2.205 40 0 GEABMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019715472 210286915 /nfs/dbraw/zinc/28/69/15/210286915.db2.gz KRPUXJNKHVBGMB-UHFFFAOYSA-N 0 1 385.443 2.144 40 0 GEABMN COc1ccc(CN2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)cc1CO ZINC000072389579 136169099 /nfs/dbraw/zinc/16/90/99/136169099.db2.gz VGQMWZHNBVIZPJ-HNNXBMFYSA-N 0 1 398.507 2.065 40 0 GEABMN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccc(F)cc1)C2 ZINC000096050193 136183366 /nfs/dbraw/zinc/18/33/66/136183366.db2.gz ZUUAQJANKWSMAU-NRFANRHFSA-N 0 1 382.439 2.061 40 0 GEABMN COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1F ZINC000109423683 136191934 /nfs/dbraw/zinc/19/19/34/136191934.db2.gz ODFRTJPKPXRGPP-UHFFFAOYSA-N 0 1 379.457 2.387 40 0 GEABMN CN(C)c1ncc(-c2cc(C(=O)N3CCCN(C)CC3)n(CC3CC3)c2)cn1 ZINC000096147679 570214590 /nfs/dbraw/zinc/21/45/90/570214590.db2.gz DCJIFIRHZJOJCJ-UHFFFAOYSA-N 0 1 382.512 2.199 40 0 GEABMN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)N1CCOCC1 ZINC000005156720 570245266 /nfs/dbraw/zinc/24/52/66/570245266.db2.gz OLFWINCXUYWIGW-COPCDDAFSA-N 0 1 388.508 2.222 40 0 GEABMN Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000216384873 570300499 /nfs/dbraw/zinc/30/04/99/570300499.db2.gz HXFQPZBQGRJTSF-UHFFFAOYSA-N 0 1 384.461 2.482 40 0 GEABMN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019362733 570406594 /nfs/dbraw/zinc/40/65/94/570406594.db2.gz VUXJRJFQQYTVDK-FQEVSTJZSA-N 0 1 384.476 2.031 40 0 GEABMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000033702630 570414002 /nfs/dbraw/zinc/41/40/02/570414002.db2.gz NPVGNYPQZCUENW-OZQHCQBDSA-N 0 1 391.402 2.257 40 0 GEABMN CCOc1ccc(Cl)cc1S(=O)(=O)NCCSc1nnc(C)[nH]1 ZINC000223003755 570436717 /nfs/dbraw/zinc/43/67/17/570436717.db2.gz JNDPKXXGZITPNE-UHFFFAOYSA-N 0 1 376.891 2.236 40 0 GEABMN CCOc1ccc(S(=O)(=O)NCCSc2nnc(C)[nH]2)cc1Cl ZINC000223009327 570436989 /nfs/dbraw/zinc/43/69/89/570436989.db2.gz QDUNBLVSMJHCDC-UHFFFAOYSA-N 0 1 376.891 2.236 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)s1 ZINC000223738857 570482263 /nfs/dbraw/zinc/48/22/63/570482263.db2.gz LXEXPRUBOVKITJ-UHFFFAOYSA-N 0 1 398.510 2.151 40 0 GEABMN COc1ccc2c3c1O[C@H]1[C@@]34CCN(C)[C@@H](C2)[C@@]4(Cl)C=CC1(OC)OC ZINC000008652746 570536628 /nfs/dbraw/zinc/53/66/28/570536628.db2.gz FWVHIEJCQZBNKP-FZDIXFNVSA-N 0 1 377.868 2.491 40 0 GEABMN CCOc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)CC)s2)cc1 ZINC000225654108 570598463 /nfs/dbraw/zinc/59/84/63/570598463.db2.gz NVMFEDGRVJZGPS-UHFFFAOYSA-N 0 1 398.510 2.196 40 0 GEABMN Cc1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3cn(CC(=O)[O-])c4ccccc34)C1)COC2 ZINC000247983345 570719371 /nfs/dbraw/zinc/71/93/71/570719371.db2.gz YCRLOHRKVMBTHS-JOCHJYFZSA-N 0 1 392.459 2.498 40 0 GEABMN Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCC[NH+](C)C)ccc1C ZINC000013613771 570762961 /nfs/dbraw/zinc/76/29/61/570762961.db2.gz VOLUZMZUKKNIBD-UHFFFAOYSA-N 0 1 375.494 2.396 40 0 GEABMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC[NH+](C)C)c2C)cc1 ZINC000010111671 570781884 /nfs/dbraw/zinc/78/18/84/570781884.db2.gz PEJLUGISRSBRIF-UHFFFAOYSA-N 0 1 375.494 2.396 40 0 GEABMN COC(=O)C1C(CN2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057731119 570842833 /nfs/dbraw/zinc/84/28/33/570842833.db2.gz QMWZRJLRSYZWDN-NJSLBKSFSA-N 0 1 387.480 2.454 40 0 GEABMN CCN1CCN([C@@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019527999 570928289 /nfs/dbraw/zinc/92/82/89/570928289.db2.gz ITLPFWRJZHKEOH-ZWKOTPCHSA-N 0 1 390.919 2.232 40 0 GEABMN CC1CCN(C(=O)CN2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496716 210252827 /nfs/dbraw/zinc/25/28/27/210252827.db2.gz NKBKIGBFWGISGV-SFHVURJKSA-N 0 1 386.540 2.408 40 0 GEABMN O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)[C@@H]2COc3ccccc3O2)CC1 ZINC000001869699 209341316 /nfs/dbraw/zinc/34/13/16/209341316.db2.gz ZBPOBVZNVTZLGP-RXVVDRJESA-N 0 1 395.459 2.167 40 0 GEABMN COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccnc2)cc1 ZINC000000954046 209282978 /nfs/dbraw/zinc/28/29/78/209282978.db2.gz MHTCNOGUVVVRHH-VBQJREDUSA-N 0 1 395.337 2.194 40 0 GEABMN FC1(F)CCN(c2ncc3c(n2)[C@]2(CCN(Cc4cnc[nH]4)C2)COC3)CC1 ZINC000306141943 212055377 /nfs/dbraw/zinc/05/53/77/212055377.db2.gz WKYPWGJLONUZKK-SFHVURJKSA-N 0 1 390.438 2.109 40 0 GEABMN CC(C)CCN1C[C@H]2[C@H](C1)S(=O)(=O)CC[C@H]2NC(=O)c1ccc(F)cc1 ZINC000306137852 212053229 /nfs/dbraw/zinc/05/32/29/212053229.db2.gz RIHATXZVVNRGIZ-KURKYZTESA-N 0 1 382.501 2.089 40 0 GEABMN c1ccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)nc1 ZINC000306134279 212051528 /nfs/dbraw/zinc/05/15/28/212051528.db2.gz NHNPRXIITRBIFP-QGZVFWFLSA-N 0 1 378.480 2.341 40 0 GEABMN COc1ncccc1NC(=O)c1ccc2c(c1)c(C)nnc2N1CCN(C)CC1 ZINC000306126426 212044553 /nfs/dbraw/zinc/04/45/53/212044553.db2.gz DVJCQMHASJETIJ-UHFFFAOYSA-N 0 1 392.463 2.346 40 0 GEABMN CC1CCN(CC(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257279416 212017085 /nfs/dbraw/zinc/01/70/85/212017085.db2.gz OGMCFXSADLLRCA-GOSISDBHSA-N 0 1 396.495 2.247 40 0 GEABMN Cn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cn1 ZINC000257270353 212014801 /nfs/dbraw/zinc/01/48/01/212014801.db2.gz MTWHREHXTNJILD-FQEVSTJZSA-N 0 1 385.443 2.477 40 0 GEABMN NC(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000257205828 212003146 /nfs/dbraw/zinc/00/31/46/212003146.db2.gz BATHPBQCJLLNAD-SFHVURJKSA-N 0 1 376.844 2.240 40 0 GEABMN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169293203 211632285 /nfs/dbraw/zinc/63/22/85/211632285.db2.gz AKHZFGDQAHCPLJ-RCCFBDPRSA-N 0 1 389.521 2.164 40 0 GEABMN Cc1nc(CN2CCN(C)C(=O)C23CCN(Cc2cccc(C)n2)CC3)cs1 ZINC000096230297 211320966 /nfs/dbraw/zinc/32/09/66/211320966.db2.gz DECKENIDAXMTFW-UHFFFAOYSA-N 0 1 399.564 2.464 40 0 GEABMN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096056125 211297788 /nfs/dbraw/zinc/29/77/88/211297788.db2.gz WEFAWXSTFOLUGK-JXFKEZNVSA-N 0 1 385.537 2.345 40 0 GEABMN COc1c(C)cccc1C(=O)N1CCC[C@@H](c2nnc3n2CCN(C)CC3)C1 ZINC000072370939 211101905 /nfs/dbraw/zinc/10/19/05/211101905.db2.gz SCPKIRDWBOKNLL-MRXNPFEDSA-N 0 1 383.496 2.103 40 0 GEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000072380113 211108277 /nfs/dbraw/zinc/10/82/77/211108277.db2.gz XRIJHFBIJFVODK-QGZVFWFLSA-N 0 1 379.508 2.455 40 0 GEABMN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N3CCCC3)C2)c1 ZINC000072358557 211098588 /nfs/dbraw/zinc/09/85/88/211098588.db2.gz IEMFMPQBOAMBJY-GOSISDBHSA-N 0 1 393.491 2.044 40 0 GEABMN COC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000020518237 210344411 /nfs/dbraw/zinc/34/44/11/210344411.db2.gz YQQNSHLCWICNNC-KRWDZBQOSA-N 0 1 375.494 2.133 40 0 GEABMN Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1nnc2n1CCN(C)CC2 ZINC000019710654 210285474 /nfs/dbraw/zinc/28/54/74/210285474.db2.gz ZQWZRYDZLDOQJE-KRWDZBQOSA-N 0 1 383.496 2.125 40 0 GEABMN CN([C@H]1CCCN(Cc2cnn(C)c2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000019749690 210293099 /nfs/dbraw/zinc/29/30/99/210293099.db2.gz GTQHUJWTHCQLAV-IBGZPJMESA-N 0 1 376.526 2.236 40 0 GEABMN O=C(Cn1cc(C(=O)Nc2ccc3nc[nH]c3c2)ccc1=O)NC1CCCCC1 ZINC000019750922 210292773 /nfs/dbraw/zinc/29/27/73/210292773.db2.gz KCYKJVQCBLQXSM-UHFFFAOYSA-N 0 1 393.447 2.426 40 0 GEABMN Nc1nc(N2CCOCC2)[nH]c(=O)c1C(=S)Nc1ccc2ccccc2c1 ZINC000040385535 132403485 /nfs/dbraw/zinc/40/34/85/132403485.db2.gz QULWUWVZUWUPPD-UHFFFAOYSA-N 0 1 381.461 2.130 40 0 GEABMN Cc1cc(O)c(-c2ccnc3nc(N4C[C@H](C)C[C@H](C)C4)[nH]c(=O)c23)c(=O)o1 ZINC000102273520 136189862 /nfs/dbraw/zinc/18/98/62/136189862.db2.gz SPEPFFKFKYLFQI-PHIMTYICSA-N 0 1 382.420 2.435 40 0 GEABMN CN1CCN(Cc2nc(C3(O)CCN(Cc4ccccc4)CC3)cs2)CC1 ZINC000225471498 560043181 /nfs/dbraw/zinc/04/31/81/560043181.db2.gz UPUUNFJUGSQYBP-UHFFFAOYSA-N 0 1 386.565 2.374 40 0 biogenic,in-vitro GEABMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccc(F)cc2)cc1 ZINC000067897174 560050282 /nfs/dbraw/zinc/05/02/82/560050282.db2.gz ZVMHKBOISLRDAV-MOPGFXCFSA-N 0 1 384.407 2.136 40 0 biogenic,in-vitro GEABMN CCN(CC)CCN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005469546 570441284 /nfs/dbraw/zinc/44/12/84/570441284.db2.gz KXICOVXYHUDRPN-UHFFFAOYSA-N 0 1 396.534 2.408 40 0 GEABMN COc1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2C)c(OC)c1 ZINC000223336910 570459543 /nfs/dbraw/zinc/45/95/43/570459543.db2.gz KPQWJBVKKJKYTC-UHFFFAOYSA-N 0 1 378.406 2.258 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)s1 ZINC000224042358 570496034 /nfs/dbraw/zinc/49/60/34/570496034.db2.gz FDMIPHXGAFUTCI-LBPRGKRZSA-N 0 1 398.510 2.249 40 0 GEABMN CCc1n[nH]c(-n2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)n1 ZINC000040398031 570601738 /nfs/dbraw/zinc/60/17/38/570601738.db2.gz PLPNBXPOESOGLX-UHFFFAOYSA-N 0 1 392.810 2.429 40 0 GEABMN CCc1nc(-n2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)n[nH]1 ZINC000040398031 570601740 /nfs/dbraw/zinc/60/17/40/570601740.db2.gz PLPNBXPOESOGLX-UHFFFAOYSA-N 0 1 392.810 2.429 40 0 GEABMN Cc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4ccccc4Cl)c3c2=O)n1 ZINC000040398413 570602094 /nfs/dbraw/zinc/60/20/94/570602094.db2.gz WADSPNSLBLOGQC-UHFFFAOYSA-N 0 1 392.810 2.484 40 0 GEABMN COc1ccc2c(c1)O[C@]1(CCCN(C(=O)c3cc(C(C)C)[nH]n3)C1)CNC2=O ZINC000012086773 570606365 /nfs/dbraw/zinc/60/63/65/570606365.db2.gz YQSRPXZQPSZEEN-OAQYLSRUSA-N 0 1 398.463 2.339 40 0 GEABMN COc1ccc(-n2nc3[nH]c(CSc4ncccn4)cc(O)c-3c2=O)cc1 ZINC000017077932 570917289 /nfs/dbraw/zinc/91/72/89/570917289.db2.gz MBDAVBKVWPKIPH-UHFFFAOYSA-N 0 1 381.417 2.098 40 0 GEABMN CCN1CCN([C@@H](CC(C)C)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000020141694 570942074 /nfs/dbraw/zinc/94/20/74/570942074.db2.gz SIFIKXUKJRQDAF-KRWDZBQOSA-N 0 1 386.500 2.175 40 0 GEABMN CCN1CCN(c2nc([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc(=O)[nH]2)CC1 ZINC000019528241 210258159 /nfs/dbraw/zinc/25/81/59/210258159.db2.gz HUDSZVLWVGPCGK-QGZVFWFLSA-N 0 1 395.507 2.461 40 0 GEABMN Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)Cc2ccccn2)CC1 ZINC000019288988 210238230 /nfs/dbraw/zinc/23/82/30/210238230.db2.gz JDYAUBMTWIYELZ-UHFFFAOYSA-N 0 1 390.491 2.200 40 0 GEABMN CC(=O)OCc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)o1 ZINC000019023041 210223425 /nfs/dbraw/zinc/22/34/25/210223425.db2.gz YYJHCPMNHOFYNX-UHFFFAOYSA-N 0 1 394.431 2.089 40 0 GEABMN CC(=O)OCc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)o1 ZINC000019023041 210223430 /nfs/dbraw/zinc/22/34/30/210223430.db2.gz YYJHCPMNHOFYNX-UHFFFAOYSA-N 0 1 394.431 2.089 40 0 GEABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1OC ZINC000013681027 210077973 /nfs/dbraw/zinc/07/79/73/210077973.db2.gz VMMLORFEVDKJKN-UHFFFAOYSA-N 0 1 392.433 2.032 40 0 GEABMN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NCCO)n1 ZINC000329050117 532801863 /nfs/dbraw/zinc/80/18/63/532801863.db2.gz UTDFLFCXGRVHOS-UHFFFAOYSA-N 0 1 377.286 2.768 40 0 GEABMN c1cncc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306130565 212047244 /nfs/dbraw/zinc/04/72/44/212047244.db2.gz JJWASQRORQCRAY-GOSISDBHSA-N 0 1 378.480 2.341 40 0 GEABMN CC(=O)N[C@]12CN(C(=O)c3cscn3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000257284708 212016728 /nfs/dbraw/zinc/01/67/28/212016728.db2.gz PDXNSBPORIIMRT-YVWKXTFCSA-N 0 1 384.505 2.167 40 0 GEABMN Cn1ccc(NC(=O)CN2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)n1 ZINC000257269809 212014823 /nfs/dbraw/zinc/01/48/23/212014823.db2.gz MRLOWUUXTOKDIK-FGSXEWAUSA-N 0 1 395.507 2.103 40 0 GEABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](CC(=O)NCCn4ccnc4)C3)c2c1 ZINC000257216733 212005032 /nfs/dbraw/zinc/00/50/32/212005032.db2.gz CVVZIPUZKCKCPW-MRXNPFEDSA-N 0 1 394.479 2.127 40 0 GEABMN CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000097952890 211373449 /nfs/dbraw/zinc/37/34/49/211373449.db2.gz VASOFEWDRPVAPR-JOCHJYFZSA-N 0 1 395.507 2.411 40 0 GEABMN Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](c2nc[nH]n2)CN3S(C)(=O)=O)cc1 ZINC000096267770 211327653 /nfs/dbraw/zinc/32/76/53/211327653.db2.gz YANOTBVFXVNTQR-MRXNPFEDSA-N 0 1 397.460 2.277 40 0 GEABMN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccn3)CC2)O1 ZINC000096036876 211296333 /nfs/dbraw/zinc/29/63/33/211296333.db2.gz AKXDYRMQKPDTQO-GOSISDBHSA-N 0 1 383.496 2.037 40 0 GEABMN CC(=O)NCc1cnc([C@H]2CCCN2C(=O)CN2CCCC2)cc1C(F)(F)F ZINC000072356158 211099127 /nfs/dbraw/zinc/09/91/27/211099127.db2.gz OYTZWBFCMOEDRX-QGZVFWFLSA-N 0 1 398.429 2.496 40 0 GEABMN CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355061 211098515 /nfs/dbraw/zinc/09/85/15/211098515.db2.gz DMIJMEITXXKJGY-SFHVURJKSA-N 0 1 385.487 2.205 40 0 GEABMN CN(C)C(=O)[C@@H]1CN(Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334448 211092266 /nfs/dbraw/zinc/09/22/66/211092266.db2.gz BXLQJDVLOKYLGH-PGRDOPGGSA-N 0 1 381.451 2.071 40 0 GEABMN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334506 211091247 /nfs/dbraw/zinc/09/12/47/211091247.db2.gz VETMZBRJWXVPEC-WMZHIEFXSA-N 0 1 392.503 2.153 40 0 GEABMN CNc1nc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc2c1CNCC2 ZINC000019711490 210285679 /nfs/dbraw/zinc/28/56/79/210285679.db2.gz UTOJYFDTCVSVHK-CQSZACIVSA-N 0 1 398.486 2.121 40 0 GEABMN Cn1nccc1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 ZINC000019757004 210293396 /nfs/dbraw/zinc/29/33/96/210293396.db2.gz NYFGNYQKQKXFNZ-UHFFFAOYSA-N 0 1 382.512 2.337 40 0 GEABMN COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(=O)[O-])C2 ZINC000253504882 560037702 /nfs/dbraw/zinc/03/77/02/560037702.db2.gz MMBJMAQFUGLJPZ-KWDMSKSXSA-N 0 1 383.444 2.000 40 0 biogenic,in-vitro GEABMN COc1ccc(C(=O)N[C@@H]2CN(Cc3cccc(OC)c3)CCC[C@H]2O)cc1 ZINC000015672062 560230312 /nfs/dbraw/zinc/23/03/12/560230312.db2.gz PDIPQIMCDBMUSV-NHCUHLMSSA-N 0 1 384.476 2.459 40 0 biogenic,in-vitro GEABMN Cc1ccc(N[C@@H](NNC(N)=S)c2c(O)c3cc(C)ccc3[nH]c2=O)cc1 ZINC000005490667 570259177 /nfs/dbraw/zinc/25/91/77/570259177.db2.gz ZETAMHBDZKKCQV-KRWDZBQOSA-N 0 1 383.477 2.299 40 0 GEABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000022511879 570318898 /nfs/dbraw/zinc/31/88/98/570318898.db2.gz PXISHSQMZYOEKC-UHFFFAOYSA-N 0 1 398.506 2.491 40 0 GEABMN C/C=C1/C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC[C@H](O)CO)cc21 ZINC000008581509 570534914 /nfs/dbraw/zinc/53/49/14/570534914.db2.gz MFOCUXNEPWLHOJ-HANSGLKOSA-N 0 1 384.476 2.041 40 0 GEABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 ZINC000010008779 570564728 /nfs/dbraw/zinc/56/47/28/570564728.db2.gz DCDJKFFVLDDOQJ-UHFFFAOYSA-N 0 1 392.433 2.032 40 0 GEABMN O[C@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000012292101 570633265 /nfs/dbraw/zinc/63/32/65/570633265.db2.gz CVBNKPKWEXCGKV-QGZVFWFLSA-N 0 1 399.443 2.204 40 0 GEABMN C[C@@H]1CCCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257230122 570892514 /nfs/dbraw/zinc/89/25/14/570892514.db2.gz GAXWQFPSCCAMEE-FGTMMUONSA-N 0 1 386.540 2.406 40 0 GEABMN Cc1c(CN2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)cnn1C ZINC000019553573 210260774 /nfs/dbraw/zinc/26/07/74/210260774.db2.gz IYTVIBIZVZXKLF-KRWDZBQOSA-N 0 1 387.484 2.005 40 0 GEABMN CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000019500316 210254090 /nfs/dbraw/zinc/25/40/90/210254090.db2.gz XANIMAYPTQTDAN-FQEVSTJZSA-N 0 1 397.567 2.482 40 0 GEABMN O=C(Cn1cnc2ccccc21)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019376672 210245806 /nfs/dbraw/zinc/24/58/06/210245806.db2.gz VOAHPAFRPWZNKO-SFHVURJKSA-N 0 1 376.464 2.226 40 0 GEABMN Cn1nc(-c2ccccc2F)cc1CN1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000019288934 210238577 /nfs/dbraw/zinc/23/85/77/210238577.db2.gz BWWWCIQNSAEWOG-HXUWFJFHSA-N 0 1 386.471 2.486 40 0 GEABMN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2CC(=O)N(C)C ZINC000019017539 210221456 /nfs/dbraw/zinc/22/14/56/210221456.db2.gz MIXNUOZHGXAHDN-ZVDOUQERSA-N 0 1 375.488 2.473 40 0 GEABMN C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000016010108 210181366 /nfs/dbraw/zinc/18/13/66/210181366.db2.gz WCJOQPZJSOEMBX-YCQQOHMZSA-N 0 1 381.819 2.285 40 0 GEABMN CN1C(=O)N/C(=C/c2cc(Br)cc(Br)c2O)C1=O ZINC000409189154 530045648 /nfs/dbraw/zinc/04/56/48/530045648.db2.gz DKTQAOVPQNHGOD-FPYGCLRLSA-N 0 1 376.004 2.440 40 0 GEABMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2)cs1 ZINC000006681643 531529603 /nfs/dbraw/zinc/52/96/03/531529603.db2.gz CRYAXLHLLORRJJ-UHFFFAOYSA-N 0 1 382.463 2.475 40 0 GEABMN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3nccs3)C[C@@H]1C2 ZINC000306144637 212055634 /nfs/dbraw/zinc/05/56/34/212055634.db2.gz ZKNWRQBIZCRDSO-STQMWFEESA-N 0 1 398.467 2.430 40 0 GEABMN CC(C)[N@H+]1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000257314261 212023460 /nfs/dbraw/zinc/02/34/60/212023460.db2.gz UWBXSGWVLOOEIN-HXUWFJFHSA-N 0 1 381.476 2.432 40 0 GEABMN O=C(c1ncccc1[O-])N1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000257274922 212013763 /nfs/dbraw/zinc/01/37/63/212013763.db2.gz NNGDIFAVYRGTFL-JOCHJYFZSA-N 0 1 381.476 2.203 40 0 GEABMN O=C(c1ncccc1[O-])N1CCC[C@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257274922 212013767 /nfs/dbraw/zinc/01/37/67/212013767.db2.gz NNGDIFAVYRGTFL-JOCHJYFZSA-N 0 1 381.476 2.203 40 0 GEABMN C[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329046043 209160239 /nfs/dbraw/zinc/16/02/39/209160239.db2.gz TZHRKUKDDGCXJJ-NSHDSACASA-N 0 1 377.286 2.365 40 0 GEABMN OCCCNc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000328992591 209155487 /nfs/dbraw/zinc/15/54/87/209155487.db2.gz IXKKGNLDGZECOU-UHFFFAOYSA-N 0 1 377.286 2.367 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)s1 ZINC000224164734 211855888 /nfs/dbraw/zinc/85/58/88/211855888.db2.gz ZRERUVFLKNFTCR-UHFFFAOYSA-N 0 1 398.510 2.195 40 0 GEABMN Cc1nc(CN2CCOC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2)cs1 ZINC000096229286 211321673 /nfs/dbraw/zinc/32/16/73/211321673.db2.gz IOSSHMQKYFTSCC-IBGZPJMESA-N 0 1 375.542 2.300 40 0 GEABMN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccco2)CC3)C1=O ZINC000096036565 211295062 /nfs/dbraw/zinc/29/50/62/211295062.db2.gz WYJKUFBYJWBYCB-OAQYLSRUSA-N 0 1 388.512 2.098 40 0 GEABMN Cc1cnc(CNC(=O)[C@@H]2C[C@@]3(CO2)c2ccccc2CN3CC2CC2)cn1 ZINC000096143901 211308883 /nfs/dbraw/zinc/30/88/83/211308883.db2.gz KHHSVEHTIMWLNI-RBBKRZOGSA-N 0 1 378.476 2.311 40 0 GEABMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373091 211102838 /nfs/dbraw/zinc/10/28/38/211102838.db2.gz GUSSHMJHNKDCSN-KURKYZTESA-N 0 1 386.540 2.264 40 0 GEABMN CN(C)S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371321 211102473 /nfs/dbraw/zinc/10/24/73/211102473.db2.gz XALSVMIFQCMVDM-ZDUSSCGKSA-N 0 1 398.916 2.280 40 0 GEABMN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 ZINC000072379157 211108534 /nfs/dbraw/zinc/10/85/34/211108534.db2.gz CCUGNXOMJDULMK-GOSISDBHSA-N 0 1 397.523 2.429 40 0 GEABMN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)N(C)C)C2)c1 ZINC000072358882 211100722 /nfs/dbraw/zinc/10/07/22/211100722.db2.gz UFRBWYPMNJJLBA-KRWDZBQOSA-N 0 1 381.480 2.370 40 0 GEABMN Cc1ccccc1-c1cncc(C2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000072359372 211100570 /nfs/dbraw/zinc/10/05/70/211100570.db2.gz MJOSKNAYLOLBEW-UHFFFAOYSA-N 0 1 380.492 2.490 40 0 GEABMN COc1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)N3CCOCC3)C2)c1 ZINC000072358534 211099506 /nfs/dbraw/zinc/09/95/06/211099506.db2.gz PFLOSKWVMSXUAK-SFHVURJKSA-N 0 1 396.491 2.190 40 0 GEABMN CN(C)c1cc(C[C@H]2CN(C)CCN(C(=O)c3ccc(Cl)cc3)C2)ncn1 ZINC000072355072 211099559 /nfs/dbraw/zinc/09/95/59/211099559.db2.gz CHGBNDUFPFLEDY-HNNXBMFYSA-N 0 1 387.915 2.443 40 0 GEABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)Cc1ccccc1 ZINC000020458103 210338182 /nfs/dbraw/zinc/33/81/82/210338182.db2.gz OMMSAKVYVNJAMS-UHFFFAOYSA-N 0 1 398.506 2.324 40 0 GEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)COc1ccccc1)CC2 ZINC000019711478 210286282 /nfs/dbraw/zinc/28/62/82/210286282.db2.gz SYIFQKHJDFPGKI-INIZCTEOSA-N 0 1 395.507 2.291 40 0 GEABMN CNc1nc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)nc2c1CNCC2 ZINC000019711496 210285317 /nfs/dbraw/zinc/28/53/17/210285317.db2.gz REDNBDNDNYAGGI-CQSZACIVSA-N 0 1 398.486 2.121 40 0 GEABMN COc1cc(C)ccc1CN1CCc2nnc([C@@H]3CCCN(C(C)=O)C3)n2CC1 ZINC000019709287 210283327 /nfs/dbraw/zinc/28/33/27/210283327.db2.gz IUNYXDZIXYDGNR-LJQANCHMSA-N 0 1 397.523 2.379 40 0 GEABMN O=C(COCc1nc2ccccc2[nH]1)N1CCC(CCN2CCOCC2)CC1 ZINC000019656382 210278081 /nfs/dbraw/zinc/27/80/81/210278081.db2.gz CSDREELURIJBPV-UHFFFAOYSA-N 0 1 386.496 2.040 40 0 GEABMN CN(C)C(=O)c1cn[nH]c1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019581403 210270162 /nfs/dbraw/zinc/27/01/62/210270162.db2.gz MLXILBGSCPBUBV-UHFFFAOYSA-N 0 1 396.900 2.333 40 0 GEABMN CC(=O)Nc1ccc(NC(=O)[C@@H]2C=C([O-])NC(Nc3ccc(F)cc3)=[NH+]2)cc1 ZINC000014607660 221313035 /nfs/dbraw/zinc/31/30/35/221313035.db2.gz BQZBPHBCJHNGGM-INIZCTEOSA-N 0 1 383.383 2.079 40 0 GEABMN CN1CCN(c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1 ZINC000071794187 136166621 /nfs/dbraw/zinc/16/66/21/136166621.db2.gz ATZZRIOGGPBWBZ-UHFFFAOYSA-N 0 1 388.493 2.062 40 0 GEABMN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(Cc2ccccc2F)C1 ZINC000096244580 136185662 /nfs/dbraw/zinc/18/56/62/136185662.db2.gz JGPXZPDZXDFANN-JOCHJYFZSA-N 0 1 398.482 2.435 40 0 GEABMN COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4c[nH]cn4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288392 560034822 /nfs/dbraw/zinc/03/48/22/560034822.db2.gz CESDXXRHAKAMST-KBPBESRZSA-N 0 1 383.452 2.450 40 0 biogenic,in-vitro GEABMN COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4cnc[nH]4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288392 560034823 /nfs/dbraw/zinc/03/48/23/560034823.db2.gz CESDXXRHAKAMST-KBPBESRZSA-N 0 1 383.452 2.450 40 0 biogenic,in-vitro GEABMN COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4cnc[nH]4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288392 560034825 /nfs/dbraw/zinc/03/48/25/560034825.db2.gz CESDXXRHAKAMST-KBPBESRZSA-N 0 1 383.452 2.450 40 0 biogenic,in-vitro GEABMN Cc1ccc(C)c([C@H](O)CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022887352 570332851 /nfs/dbraw/zinc/33/28/51/570332851.db2.gz IHUHYCMGLAPHQL-OAQYLSRUSA-N 0 1 392.503 2.391 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccc(OC)cc2)s1 ZINC000223118808 570444705 /nfs/dbraw/zinc/44/47/05/570444705.db2.gz MEYJSMBVNVNAIV-LBPRGKRZSA-N 0 1 384.483 2.325 40 0 GEABMN COC(=O)C(=C(O)C(=O)Nc1cccc(OC)c1)c1cnc2ccccc2n1 ZINC000006424631 570480017 /nfs/dbraw/zinc/48/00/17/570480017.db2.gz FOTPNUOZCOGOTR-QGZVFWFLSA-N 0 1 379.372 2.103 40 0 GEABMN O=C(C[C@H](NC(=O)OCc1ccccc1)c1nn[nH]n1)OCc1ccccc1 ZINC000006575062 570483978 /nfs/dbraw/zinc/48/39/78/570483978.db2.gz RRRWSMXGMNESTN-INIZCTEOSA-N 0 1 381.392 2.301 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)s1 ZINC000224635050 570521632 /nfs/dbraw/zinc/52/16/32/570521632.db2.gz PTXOMRXVARLWML-LBPRGKRZSA-N 0 1 396.494 2.386 40 0 GEABMN CCc1n[nH]c(-n2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)n1 ZINC000040398111 570601876 /nfs/dbraw/zinc/60/18/76/570601876.db2.gz NPEBKQBDGUMJAF-UHFFFAOYSA-N 0 1 392.810 2.429 40 0 GEABMN CCc1nc(-n2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)n[nH]1 ZINC000040398111 570601882 /nfs/dbraw/zinc/60/18/82/570601882.db2.gz NPEBKQBDGUMJAF-UHFFFAOYSA-N 0 1 392.810 2.429 40 0 GEABMN CN(C)[C@H](CNC(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc2c(c1)OCO2 ZINC000012147399 570617308 /nfs/dbraw/zinc/61/73/08/570617308.db2.gz PXGQWCJJDJFQAJ-QGZVFWFLSA-N 0 1 379.420 2.233 40 0 GEABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 ZINC000001351241 570628923 /nfs/dbraw/zinc/62/89/23/570628923.db2.gz FAWSXQLZJXAROC-UHFFFAOYSA-N 0 1 376.390 2.377 40 0 GEABMN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012292095 570633278 /nfs/dbraw/zinc/63/32/78/570633278.db2.gz XDDCGVSBOGMCES-SFHVURJKSA-N 0 1 385.460 2.483 40 0 GEABMN CN1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000005014935 570730671 /nfs/dbraw/zinc/73/06/71/570730671.db2.gz SALCJOWZPYGEDW-UHFFFAOYSA-N 0 1 378.520 2.396 40 0 GEABMN O=C(CN1C(=O)CC[C@@]12CCCN(Cc1nccs1)CC2)N1CCCC1 ZINC000585100695 570925185 /nfs/dbraw/zinc/92/51/85/570925185.db2.gz SYLNKHWCLAVEOK-LJQANCHMSA-N 0 1 376.526 2.113 40 0 GEABMN C[C@@H]1CCC[C@@H]1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022823133 570962220 /nfs/dbraw/zinc/96/22/20/570962220.db2.gz FOOABQKFWPGKMA-QRQLOZEOSA-N 0 1 376.497 2.099 40 0 GEABMN CN1CCN(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022830010 531591359 /nfs/dbraw/zinc/59/13/59/531591359.db2.gz FLRYJDBZAOGXLZ-UHFFFAOYSA-N 0 1 380.341 2.050 40 0 GEABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21 ZINC000253398345 209218078 /nfs/dbraw/zinc/21/80/78/209218078.db2.gz HAECDLCMLRCQES-XXBNENTESA-N 0 1 397.494 2.219 40 0 biogenic,in-vitro GEABMN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CCN(Cc1ccco1)C2 ZINC000306137654 212054040 /nfs/dbraw/zinc/05/40/40/212054040.db2.gz RCKZGFBGNQBWHV-OAQYLSRUSA-N 0 1 398.511 2.024 40 0 GEABMN Cc1ccc(CN2C[C@@H]3CN(Cc4csc(C)n4)S(=O)(=O)[C@H]3C2)s1 ZINC000306141106 212053739 /nfs/dbraw/zinc/05/37/39/212053739.db2.gz VLLYTARBLFGMEH-CJNGLKHVSA-N 0 1 383.564 2.467 40 0 GEABMN CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)NCc3ccccn3)CC[C@H]21 ZINC000257339941 212027360 /nfs/dbraw/zinc/02/73/60/212027360.db2.gz ZDVZBNIECIUDIB-YPAWHYETSA-N 0 1 392.503 2.034 40 0 GEABMN Cn1cc(CN2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cn1 ZINC000257270354 212014446 /nfs/dbraw/zinc/01/44/46/212014446.db2.gz MTWHREHXTNJILD-HXUWFJFHSA-N 0 1 385.443 2.477 40 0 GEABMN CCCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000222764110 211810860 /nfs/dbraw/zinc/81/08/60/211810860.db2.gz YUGSQQGZDFLYDS-UHFFFAOYSA-N 0 1 398.510 2.196 40 0 GEABMN CCN1C[C@]2(CC1=O)CN(Cc1ccc(OC)cc1)CCN(C(=O)C(C)C)C2 ZINC000097952790 211374578 /nfs/dbraw/zinc/37/45/78/211374578.db2.gz SEDZAVUOPJRRKO-QFIPXVFZSA-N 0 1 387.524 2.234 40 0 GEABMN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cnn(C)c4)C3)n[nH]2)cc1 ZINC000072371631 211103025 /nfs/dbraw/zinc/10/30/25/211103025.db2.gz QUJBMOYACSEPLY-HNNXBMFYSA-N 0 1 395.463 2.403 40 0 GEABMN O=C(COc1ccccc1)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380657 211108041 /nfs/dbraw/zinc/10/80/41/211108041.db2.gz UUQICQAIPNKHOU-IBGZPJMESA-N 0 1 398.463 2.015 40 0 GEABMN O=C(COc1ccccc1)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380656 211107740 /nfs/dbraw/zinc/10/77/40/211107740.db2.gz UUQICQAIPNKHOU-LJQANCHMSA-N 0 1 398.463 2.015 40 0 GEABMN CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374957 211104881 /nfs/dbraw/zinc/10/48/81/211104881.db2.gz HWHKYHHBVFYPCC-QGZVFWFLSA-N 0 1 396.495 2.383 40 0 GEABMN O=C(CN1CCC(c2cncc(-c3cccc(F)c3)n2)CC1)N1CCOCC1 ZINC000072359373 211101149 /nfs/dbraw/zinc/10/11/49/211101149.db2.gz BLAALLTYUPCHNT-UHFFFAOYSA-N 0 1 384.455 2.321 40 0 GEABMN CN(C)c1cc(C[C@H]2CN(C)CCN(C(=O)CCc3ccccc3)C2)ncn1 ZINC000072355104 211099093 /nfs/dbraw/zinc/09/90/93/211099093.db2.gz CWMHPAWCEPUJPG-IBGZPJMESA-N 0 1 381.524 2.108 40 0 GEABMN COc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)c1 ZINC000072358533 211098768 /nfs/dbraw/zinc/09/87/68/211098768.db2.gz PFLOSKWVMSXUAK-GOSISDBHSA-N 0 1 396.491 2.190 40 0 GEABMN CCn1c2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2oc1=O ZINC000019936795 210309436 /nfs/dbraw/zinc/30/94/36/210309436.db2.gz PTWFKPPDXNEVDJ-UHFFFAOYSA-N 0 1 378.406 2.432 40 0 GEABMN CCOc1cc2c(cc1CN1CCC(c3nnc4n3CCNC4)CC1)O[C@@H](C)C2 ZINC000019711176 210285339 /nfs/dbraw/zinc/28/53/39/210285339.db2.gz HSTORMGRJYSRDS-HNNXBMFYSA-N 0 1 397.523 2.483 40 0 GEABMN COc1cc(C)ccc1CN1CCc2nnc([C@H]3CCCN(C(C)=O)C3)n2CC1 ZINC000019709288 210283294 /nfs/dbraw/zinc/28/32/94/210283294.db2.gz IUNYXDZIXYDGNR-IBGZPJMESA-N 0 1 397.523 2.379 40 0 GEABMN CN(C(=O)c1cn[nH]c1C1CCN(C(=O)Cn2cccn2)CC1)C1CCCCC1 ZINC000019585844 210273377 /nfs/dbraw/zinc/27/33/77/210273377.db2.gz JPMHJYSTHXRUKR-UHFFFAOYSA-N 0 1 398.511 2.417 40 0 GEABMN CN1CCN([C@@H](CNC(=O)[C@@H]2OCOc3ccccc32)c2ccccc2)CC1 ZINC000019589803 210271997 /nfs/dbraw/zinc/27/19/97/210271997.db2.gz TVLVLIMVLCQIMX-PZJWPPBQSA-N 0 1 381.476 2.199 40 0 GEABMN CC(=O)Nc1ccc(NC(=O)[C@H]2C=C([O-])NC(Nc3ccc(F)cc3)=[NH+]2)cc1 ZINC000014607661 221313681 /nfs/dbraw/zinc/31/36/81/221313681.db2.gz BQZBPHBCJHNGGM-MRXNPFEDSA-N 0 1 383.383 2.079 40 0 GEABMN CN1CCn2c(nnc2C2CCN(C(=O)c3ccc4c(c3)CCCN4C)CC2)C1 ZINC000072372067 136168989 /nfs/dbraw/zinc/16/89/89/136168989.db2.gz SCFHRAVVUIHVPY-UHFFFAOYSA-N 0 1 394.523 2.126 40 0 GEABMN CN1CCn2c(nnc2[C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCN3C)C1 ZINC000072373987 136169164 /nfs/dbraw/zinc/16/91/64/136169164.db2.gz KNZBTZMGYYCEAJ-LJQANCHMSA-N 0 1 394.523 2.473 40 0 GEABMN COC(=O)c1ccc2[nH]c(CO[C@H]3CN(C4CCOCC4)C[C@H]3F)nc2c1 ZINC000096112379 560060615 /nfs/dbraw/zinc/06/06/15/560060615.db2.gz RLGFPTXYVLLMPB-PBHICJAKSA-N 0 1 377.416 2.067 40 0 biogenic,in-vitro GEABMN COc1ccc2nc(CN3CCN(S(=O)(=O)c4cccs4)CC3)[nH]c2c1 ZINC000044213649 570431067 /nfs/dbraw/zinc/43/10/67/570431067.db2.gz NYIDNBJFYSDIPC-UHFFFAOYSA-N 0 1 392.506 2.140 40 0 GEABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1C ZINC000223339747 570459574 /nfs/dbraw/zinc/45/95/74/570459574.db2.gz LYOPRUBEIKIUIZ-UHFFFAOYSA-N 0 1 390.417 2.417 40 0 GEABMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c(Cl)cc21 ZINC000223346353 570460318 /nfs/dbraw/zinc/46/03/18/570460318.db2.gz CDLCGFOSYWDIQF-UHFFFAOYSA-N 0 1 396.808 2.357 40 0 GEABMN Cc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000225125562 570550698 /nfs/dbraw/zinc/55/06/98/570550698.db2.gz XEKQWZKKURGHCC-UHFFFAOYSA-N 0 1 398.510 2.188 40 0 GEABMN Cc1n[nH]c(-n2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)n1 ZINC000040398029 570601732 /nfs/dbraw/zinc/60/17/32/570601732.db2.gz YMJXTGYYJGWBQL-UHFFFAOYSA-N 0 1 378.783 2.175 40 0 GEABMN O=C1N[C@@H](c2cccc(F)c2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000004269963 570968161 /nfs/dbraw/zinc/96/81/61/570968161.db2.gz RCGUUSMQBUGZQB-XEZPLFJOSA-N 0 1 383.301 2.325 40 0 GEABMN CCn1nc(C)c(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1C ZINC000019523839 210256967 /nfs/dbraw/zinc/25/69/67/210256967.db2.gz BWZAUEAKFKBNDH-UHFFFAOYSA-N 0 1 378.480 2.266 40 0 GEABMN CCn1nc(C)c(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1C ZINC000019523839 210256971 /nfs/dbraw/zinc/25/69/71/210256971.db2.gz BWZAUEAKFKBNDH-UHFFFAOYSA-N 0 1 378.480 2.266 40 0 GEABMN CC(C)c1nc(N2CCC(NC(=O)c3cnn[nH]3)CC2)ncc1-c1ccncc1 ZINC000019451675 210250973 /nfs/dbraw/zinc/25/09/73/210250973.db2.gz KBADRDODJOUNBT-UHFFFAOYSA-N 0 1 392.467 2.179 40 0 GEABMN CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CC5)C4)[n-]n3c(=O)c2C1 ZINC000019448065 210249078 /nfs/dbraw/zinc/24/90/78/210249078.db2.gz HXRGLOHRGXJZRT-OAHLLOKOSA-N 0 1 383.496 2.317 40 0 GEABMN O=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCCC1 ZINC000019336334 210241868 /nfs/dbraw/zinc/24/18/68/210241868.db2.gz BPHPSUYWHCIZCI-NJDAHSKKSA-N 0 1 399.510 2.474 40 0 GEABMN CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)C(Cl)(Cl)Cl)CC1 ZINC000408529172 529777019 /nfs/dbraw/zinc/77/70/19/529777019.db2.gz IMTDBFCBYRWMCS-UHFFFAOYSA-N 0 1 392.674 2.329 40 0 GEABMN CCOc1cc(CNCc2ccncc2)cc(Br)c1OCC(N)=O ZINC000006870218 531533319 /nfs/dbraw/zinc/53/33/19/531533319.db2.gz TWJJRANNPCYFKY-UHFFFAOYSA-N 0 1 394.269 2.397 40 0 GEABMN O=C(NC1CCCCC1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253999 291117252 /nfs/dbraw/zinc/11/72/52/291117252.db2.gz RRVYYAJEGIFKDM-UHOSZYNNSA-N 0 1 394.523 2.499 40 0 biogenic,in-vitro GEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1 ZINC000225565865 532486781 /nfs/dbraw/zinc/48/67/81/532486781.db2.gz ADESEKYZKSFBJF-UHFFFAOYSA-N 0 1 382.511 2.434 40 0 GEABMN N[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242539073 532519329 /nfs/dbraw/zinc/51/93/29/532519329.db2.gz JNNYBHRAKXTHCD-BZUAXINKSA-N 0 1 382.279 2.079 40 0 GEABMN COc1ncccc1CN1CC[C@]2(CCn3c2nnc(-c2ccccc2)c3=O)C1 ZINC000306144233 212054661 /nfs/dbraw/zinc/05/46/61/212054661.db2.gz YZXFVRPWNKPCMQ-QFIPXVFZSA-N 0 1 389.459 2.256 40 0 GEABMN Cc1n[nH]cc1CN1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000306140099 212052838 /nfs/dbraw/zinc/05/28/38/212052838.db2.gz UJYLWVCTIFPEEI-NRFANRHFSA-N 0 1 398.511 2.021 40 0 GEABMN CC(C)CCN1C[C@H]2[C@H](C1)S(=O)(=O)CC[C@@H]2NC(=O)c1ccc(F)cc1 ZINC000306137854 212052483 /nfs/dbraw/zinc/05/24/83/212052483.db2.gz RIHATXZVVNRGIZ-SQNIBIBYSA-N 0 1 382.501 2.089 40 0 GEABMN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3nccs3)C[C@H]1C2 ZINC000306131297 212049626 /nfs/dbraw/zinc/04/96/26/212049626.db2.gz KAOKTEXIHBRCIE-ZIAGYGMSSA-N 0 1 380.477 2.291 40 0 GEABMN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306128787 212046418 /nfs/dbraw/zinc/04/64/18/212046418.db2.gz HKJNKNPWEYEKEQ-RBBKRZOGSA-N 0 1 378.476 2.084 40 0 GEABMN CC(C)[N@H+]1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000257314260 212023986 /nfs/dbraw/zinc/02/39/86/212023986.db2.gz UWBXSGWVLOOEIN-FQEVSTJZSA-N 0 1 381.476 2.432 40 0 GEABMN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000257297938 212019325 /nfs/dbraw/zinc/01/93/25/212019325.db2.gz RJKWUZYEKIPYBE-MRXNPFEDSA-N 0 1 393.447 2.119 40 0 GEABMN Cn1ccnc1-c1cnc(C[C@@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)cn1 ZINC000257274292 212014509 /nfs/dbraw/zinc/01/45/09/212014509.db2.gz NKKAAEZDCHURNG-AWEZNQCLSA-N 0 1 387.447 2.458 40 0 GEABMN CNc1cc(Nc2cc(CCC3CCN(C(=O)CN(C)C)CC3)ccn2)ncn1 ZINC000257278729 212015413 /nfs/dbraw/zinc/01/54/13/212015413.db2.gz ODKMGTHQXYIQGL-UHFFFAOYSA-N 0 1 397.527 2.390 40 0 GEABMN C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000257245107 212010037 /nfs/dbraw/zinc/01/00/37/212010037.db2.gz IOBYRHAIHSDFLH-OAQYLSRUSA-N 0 1 387.455 2.416 40 0 GEABMN C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000257245107 212010039 /nfs/dbraw/zinc/01/00/39/212010039.db2.gz IOBYRHAIHSDFLH-OAQYLSRUSA-N 0 1 387.455 2.416 40 0 GEABMN C[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000329063790 209159955 /nfs/dbraw/zinc/15/99/55/209159955.db2.gz XEYLYIKSFFDMFY-LLVKDONJSA-N 0 1 377.286 2.365 40 0 GEABMN CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(=O)N(C)C)C2 ZINC000096036214 211294684 /nfs/dbraw/zinc/29/46/84/211294684.db2.gz YHMSYIXJSLAPAG-LJQANCHMSA-N 0 1 378.542 2.094 40 0 GEABMN O=C(c1ccc(N2CCCC2)cc1)N1CCc2nnc([C@H]3CCCCN3)n2CC1 ZINC000072372831 211103536 /nfs/dbraw/zinc/10/35/36/211103536.db2.gz RANAUXCHACWPAV-LJQANCHMSA-N 0 1 394.523 2.391 40 0 GEABMN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cnn(C)c4)C3)n[nH]2)cc1 ZINC000072371632 211102739 /nfs/dbraw/zinc/10/27/39/211102739.db2.gz QUJBMOYACSEPLY-OAHLLOKOSA-N 0 1 395.463 2.403 40 0 GEABMN CN(C)c1cc(C[C@@H]2CN(C)CCN(C(=O)CCCc3ccccc3)C2)ncn1 ZINC000072355227 211099146 /nfs/dbraw/zinc/09/91/46/211099146.db2.gz BMOMIGZDYYZSHS-HXUWFJFHSA-N 0 1 395.551 2.498 40 0 GEABMN CN(C)c1cc(C[C@@H]2CN(C)CCN(C(=O)c3ccc(Cl)cc3)C2)ncn1 ZINC000072355071 211098187 /nfs/dbraw/zinc/09/81/87/211098187.db2.gz CHGBNDUFPFLEDY-OAHLLOKOSA-N 0 1 387.915 2.443 40 0 GEABMN COC(=O)c1c(C)nc2ccn(-c3nnc[nH]3)c(=O)c2c1-c1ccc(OC)cc1 ZINC000019819301 210300209 /nfs/dbraw/zinc/30/02/09/210300209.db2.gz BWZDZWYFPVKANA-UHFFFAOYSA-N 0 1 391.387 2.274 40 0 GEABMN NC(=O)CN1CCC[C@@H](C(=O)N2CCC(COc3ccc(Cl)cc3)CC2)C1 ZINC000019663752 210279872 /nfs/dbraw/zinc/27/98/72/210279872.db2.gz HAGUAUYUDNREME-MRXNPFEDSA-N 0 1 393.915 2.155 40 0 GEABMN NC(=O)C1(N2CCOCC2)CCN(Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000019659001 210277351 /nfs/dbraw/zinc/27/73/51/210277351.db2.gz LVLKUNQHRWLGIX-UHFFFAOYSA-N 0 1 388.899 2.040 40 0 GEABMN CN(C)C(=O)c1cn[nH]c1C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000019581413 210269866 /nfs/dbraw/zinc/26/98/66/210269866.db2.gz LGNIHLQFSKQRQB-UHFFFAOYSA-N 0 1 396.900 2.333 40 0 GEABMN Fc1ccc(CN2CC[C@]3(C2)COCc2cnc(N4CCOCC4)nc23)cc1 ZINC000096244149 136185605 /nfs/dbraw/zinc/18/56/05/136185605.db2.gz VTDQUMCFHZSTCC-NRFANRHFSA-N 0 1 384.455 2.126 40 0 GEABMN CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000409111814 528846819 /nfs/dbraw/zinc/84/68/19/528846819.db2.gz CWAPYMGHLJNDCF-UHFFFAOYSA-N 0 1 395.433 2.447 40 0 GEABMN C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103855799 570297002 /nfs/dbraw/zinc/29/70/02/570297002.db2.gz RTWNEQGTCXTFAH-YCQQOHMZSA-N 0 1 381.819 2.285 40 0 GEABMN COc1ccccc1CN1CCN(Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000022035443 570302734 /nfs/dbraw/zinc/30/27/34/570302734.db2.gz FDTUQROVGLWAQP-UHFFFAOYSA-N 0 1 392.503 2.453 40 0 GEABMN CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000223278124 570455835 /nfs/dbraw/zinc/45/58/35/570455835.db2.gz KCYLLNGTWBNAGE-UHFFFAOYSA-N 0 1 384.841 2.274 40 0 GEABMN CSc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1NC(=O)C(C)C ZINC000224796611 570531239 /nfs/dbraw/zinc/53/12/39/570531239.db2.gz VBFJIBVUAXZHQA-UHFFFAOYSA-N 0 1 385.555 2.376 40 0 GEABMN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCc2ccccc21 ZINC000012114374 570610018 /nfs/dbraw/zinc/61/00/18/570610018.db2.gz WEEUVIJIPQDGHA-VSOVRNOCSA-N 0 1 380.492 2.214 40 0 GEABMN N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cc(F)c(F)cc1F ZINC000265540948 570797762 /nfs/dbraw/zinc/79/77/62/570797762.db2.gz UFFJUCIKOZGGMZ-NSHDSACASA-N 0 1 393.291 2.147 40 0 GEABMN N[C@@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218218989 570817009 /nfs/dbraw/zinc/81/70/09/570817009.db2.gz JNNYBHRAKXTHCD-JYJNAYRXSA-N 0 1 382.279 2.079 40 0 GEABMN COc1ccc(-n2nc3[nH]c(CSc4nccc(C)n4)cc(O)c-3c2=O)cc1 ZINC000017080817 570919017 /nfs/dbraw/zinc/91/90/17/570919017.db2.gz NHKRWVSQFOTWQQ-UHFFFAOYSA-N 0 1 395.444 2.406 40 0 GEABMN Cc1c(S(=O)(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)cnn1C ZINC000019553988 210262283 /nfs/dbraw/zinc/26/22/83/210262283.db2.gz HTEMYUJIWJAACN-GOSISDBHSA-N 0 1 376.526 2.480 40 0 GEABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cc(OC)nc(OC)n2)cc1 ZINC000019553992 210261406 /nfs/dbraw/zinc/26/14/06/210261406.db2.gz GODRFFQQOPVWEK-GOSISDBHSA-N 0 1 395.419 2.013 40 0 GEABMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000015021683 210146069 /nfs/dbraw/zinc/14/60/69/210146069.db2.gz XIRZRIMQXCVAIQ-QLDGJZPUSA-N 0 1 391.402 2.257 40 0 GEABMN COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)c3cc(C(C)C)[nH]n3)C1)CNC2=O ZINC000012086774 209905807 /nfs/dbraw/zinc/90/58/07/209905807.db2.gz YQSRPXZQPSZEEN-NRFANRHFSA-N 0 1 398.463 2.339 40 0 GEABMN Cc1ccc(CN2CCC3(CC2)CN(C)S(=O)(=O)c2cccnc2O3)s1 ZINC000306145076 212057020 /nfs/dbraw/zinc/05/70/20/212057020.db2.gz ZXACQYQQBYEJBR-UHFFFAOYSA-N 0 1 393.534 2.499 40 0 GEABMN COc1ncccc1CN1CCC2(CCc3nnc(C(=O)NC(C)C)n3C2)CC1 ZINC000306142821 212054365 /nfs/dbraw/zinc/05/43/65/212054365.db2.gz XKTDJXSKXROVJN-UHFFFAOYSA-N 0 1 398.511 2.049 40 0 GEABMN Cn1cc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CCC4)nc23)cn1 ZINC000306127921 212047363 /nfs/dbraw/zinc/04/73/63/212047363.db2.gz GKRUCCGULALZIV-UHFFFAOYSA-N 0 1 382.512 2.036 40 0 GEABMN CC(C)CS(=O)(=O)N1CCC2(C[C@H](CN3CCC(F)(F)CC3)O2)CC1 ZINC000306123684 212045222 /nfs/dbraw/zinc/04/52/22/212045222.db2.gz ATVGMFLQOLWLIA-OAHLLOKOSA-N 0 1 380.501 2.327 40 0 GEABMN CC(C)CS(=O)(=O)N1CCC2(C[C@@H](CN3CCC(F)(F)CC3)O2)CC1 ZINC000306123683 212044807 /nfs/dbraw/zinc/04/48/07/212044807.db2.gz ATVGMFLQOLWLIA-HNNXBMFYSA-N 0 1 380.501 2.327 40 0 GEABMN CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(C(C)C)n1 ZINC000329061723 209158786 /nfs/dbraw/zinc/15/87/86/209158786.db2.gz WSUBMXNPRXNSNO-UHFFFAOYSA-N 0 1 375.498 2.242 40 0 GEABMN CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000097952889 211374804 /nfs/dbraw/zinc/37/48/04/211374804.db2.gz VASOFEWDRPVAPR-QFIPXVFZSA-N 0 1 395.507 2.411 40 0 GEABMN O=C1C[C@H](N2CCN(CCc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000096900163 211349194 /nfs/dbraw/zinc/34/91/94/211349194.db2.gz NDWYHLMQVXBBLH-SFHVURJKSA-N 0 1 387.480 2.379 40 0 GEABMN Cc1nc(CN2CCN(C)C3(CCN(Cc4cccnc4)CC3)C2=O)cs1 ZINC000096050110 211295806 /nfs/dbraw/zinc/29/58/06/211295806.db2.gz GFOZTRORMSLGCZ-UHFFFAOYSA-N 0 1 385.537 2.155 40 0 GEABMN CC(=O)N1CCC(C2CCN([C@@H]3CC(=O)N(c4ccccc4)C3=O)CC2)CC1 ZINC000015080452 211127493 /nfs/dbraw/zinc/12/74/93/211127493.db2.gz RGSZYXXCQVRVOJ-HXUWFJFHSA-N 0 1 383.492 2.289 40 0 GEABMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373089 211103155 /nfs/dbraw/zinc/10/31/55/211103155.db2.gz GUSSHMJHNKDCSN-KSZLIROESA-N 0 1 386.540 2.264 40 0 GEABMN CN1CCn2c(nnc2C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000072372089 211102056 /nfs/dbraw/zinc/10/20/56/211102056.db2.gz VEWXLGOSWNRXEK-UHFFFAOYSA-N 0 1 378.480 2.154 40 0 GEABMN CNc1nc([C@H]2CCCN(Cc3cccnc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000072380057 211107149 /nfs/dbraw/zinc/10/71/49/211107149.db2.gz DMIMIYBQJJDFKT-KRWDZBQOSA-N 0 1 380.496 2.198 40 0 GEABMN Cc1nc2ccc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)cc2[nH]1 ZINC000019748944 210293817 /nfs/dbraw/zinc/29/38/17/210293817.db2.gz FNIRRAQOFPDIEB-UHFFFAOYSA-N 0 1 393.447 2.298 40 0 GEABMN Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000019715153 210287038 /nfs/dbraw/zinc/28/70/38/210287038.db2.gz UQQFUVXJFBWBPW-LJQANCHMSA-N 0 1 382.439 2.263 40 0 GEABMN CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC)cc1 ZINC000408610060 528746263 /nfs/dbraw/zinc/74/62/63/528746263.db2.gz UTQGZOWEULRWGR-ZDUSSCGKSA-N 0 1 378.450 2.399 40 0 GEABMN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C(C)C)n3)ccn2)CC1 ZINC000049155025 560084071 /nfs/dbraw/zinc/08/40/71/560084071.db2.gz GUUKPBSOEWCDRG-KRWDZBQOSA-N 0 1 384.484 2.345 40 0 biogenic,in-vitro GEABMN O=C(NCc1ccccc1)[C@@H]1Cc2nc[nH]c2CN1C(=O)NC1CCCCC1 ZINC000012530143 560212886 /nfs/dbraw/zinc/21/28/86/560212886.db2.gz ZKJKSDAOIXCMAG-IBGZPJMESA-N 0 1 381.480 2.495 40 0 biogenic,in-vitro GEABMN Cc1nc(-n2ccc3c(nnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)n[nH]1 ZINC000022610675 570323250 /nfs/dbraw/zinc/32/32/50/570323250.db2.gz YDILMBFGRDNOGK-UHFFFAOYSA-N 0 1 392.810 2.484 40 0 GEABMN Cc1n[nH]c(-n2ccc3c(nnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)n1 ZINC000022610675 570323253 /nfs/dbraw/zinc/32/32/53/570323253.db2.gz YDILMBFGRDNOGK-UHFFFAOYSA-N 0 1 392.810 2.484 40 0 GEABMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000005126697 570430128 /nfs/dbraw/zinc/43/01/28/570430128.db2.gz LFSMZWYVUGPEKC-UHFFFAOYSA-N 0 1 378.450 2.341 40 0 GEABMN O=C(Nc1nnc(S(=O)(=O)NCCCc2ccco2)s1)c1ccccc1 ZINC000222966138 570433731 /nfs/dbraw/zinc/43/37/31/570433731.db2.gz IESKHPLPAYJYDD-UHFFFAOYSA-N 0 1 392.462 2.295 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000223283431 570455757 /nfs/dbraw/zinc/45/57/57/570455757.db2.gz QZKZWAIVNHURGI-LLVKDONJSA-N 0 1 396.494 2.467 40 0 GEABMN CCCCN1C(=O)[C@H]2[C@H]3CCCN3[C@]3(c4ccc(C)c(C)c4NC3=O)[C@@H]2C1=O ZINC000035365976 570477434 /nfs/dbraw/zinc/47/74/34/570477434.db2.gz PCCPNCHLBHQKNC-TXXWUTRGSA-N 0 1 381.476 2.330 40 0 GEABMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2c(-c3ccc4c(c3)OCO4)nc3ncccn23)C1 ZINC000006740874 570491543 /nfs/dbraw/zinc/49/15/43/570491543.db2.gz LOIBWHFIFZCKDA-CQSZACIVSA-N 0 1 380.404 2.422 40 0 GEABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000224993739 570542056 /nfs/dbraw/zinc/54/20/56/570542056.db2.gz VMEPLJPADUNIQE-UHFFFAOYSA-N 0 1 375.450 2.147 40 0 GEABMN COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000225064560 570546139 /nfs/dbraw/zinc/54/61/39/570546139.db2.gz OIGOWLHYUOFAMB-UHFFFAOYSA-N 0 1 398.510 2.052 40 0 GEABMN CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000012144963 570615801 /nfs/dbraw/zinc/61/58/01/570615801.db2.gz KUXDPGOIARQZDA-UKRRQHHQSA-N 0 1 379.464 2.453 40 0 GEABMN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3CCS(C)(=O)=O)CC2)s1 ZINC000585099971 570926310 /nfs/dbraw/zinc/92/63/10/570926310.db2.gz BNASFJNQOOTCCU-SFHVURJKSA-N 0 1 399.582 2.152 40 0 GEABMN CCN1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccc(Cl)cc2)CC1 ZINC000019527998 570928378 /nfs/dbraw/zinc/92/83/78/570928378.db2.gz ITLPFWRJZHKEOH-ROUUACIJSA-N 0 1 390.919 2.232 40 0 GEABMN Cc1noc(C)c1CN1C[C@]2(CC1=O)COCCN(Cc1c(C)noc1C)C2 ZINC000585104992 570934124 /nfs/dbraw/zinc/93/41/24/570934124.db2.gz XKRKDNOXSHJNGH-HXUWFJFHSA-N 0 1 388.468 2.147 40 0 GEABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cc(OC)nc(OC)n2)cc1 ZINC000019553989 210262234 /nfs/dbraw/zinc/26/22/34/210262234.db2.gz GODRFFQQOPVWEK-SFHVURJKSA-N 0 1 395.419 2.013 40 0 GEABMN CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000019520540 210254633 /nfs/dbraw/zinc/25/46/33/210254633.db2.gz KUXDPGOIARQZDA-HIFRSBDPSA-N 0 1 379.464 2.453 40 0 GEABMN CC(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3cc(C(C)C)[nH]n3)ncc2C1 ZINC000019451829 210251242 /nfs/dbraw/zinc/25/12/42/210251242.db2.gz HVZKDVMOALJCFI-SFHVURJKSA-N 0 1 382.468 2.205 40 0 GEABMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@]2(CCc3ccccc3O2)CC1 ZINC000019020120 210223710 /nfs/dbraw/zinc/22/37/10/210223710.db2.gz JBTJHRNTKMJDID-UGKGYDQZSA-N 0 1 396.491 2.233 40 0 GEABMN O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015223785 210155100 /nfs/dbraw/zinc/15/51/00/210155100.db2.gz XVFDNPQFWIJIKA-LVBDUCALSA-N 0 1 387.439 2.113 40 0 GEABMN CCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)C4=NC(=O)NC4)C3)ccc21 ZINC000257320343 212024868 /nfs/dbraw/zinc/02/48/68/212024868.db2.gz VWJJFKUPDJFEFL-ZDUSSCGKSA-N 0 1 396.451 2.366 40 0 GEABMN CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257282531 212016627 /nfs/dbraw/zinc/01/66/27/212016627.db2.gz OUDBSSFTXXKWQI-CZYKHXBRSA-N 0 1 384.451 2.269 40 0 GEABMN CC1CCN(CC(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)CC1 ZINC000257279417 212016115 /nfs/dbraw/zinc/01/61/15/212016115.db2.gz OGMCFXSADLLRCA-SFHVURJKSA-N 0 1 396.495 2.247 40 0 GEABMN COc1ccc(N2C(=O)C[C@H](N3CCN(CCc4cccs4)CC3)C2=O)cc1 ZINC000096900165 211348863 /nfs/dbraw/zinc/34/88/63/211348863.db2.gz UQWLWSIRDFYHEJ-IBGZPJMESA-N 0 1 399.516 2.249 40 0 GEABMN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1cnn(C)c1)CC2 ZINC000096061345 211299237 /nfs/dbraw/zinc/29/92/37/211299237.db2.gz ZVKYYFANYCOBQJ-FQEVSTJZSA-N 0 1 382.508 2.417 40 0 GEABMN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccn3)CC2)O1 ZINC000096036875 211297364 /nfs/dbraw/zinc/29/73/64/211297364.db2.gz AKXDYRMQKPDTQO-SFHVURJKSA-N 0 1 383.496 2.037 40 0 GEABMN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccco1)CC2 ZINC000096036931 211297227 /nfs/dbraw/zinc/29/72/27/211297227.db2.gz GWUGLXFWUSWOSS-UHFFFAOYSA-N 0 1 394.479 2.230 40 0 GEABMN Cn1cc(-c2cnc3n2CCN(C)C32CCN(Cc3cccnc3)CC2)cn1 ZINC000096036955 211296186 /nfs/dbraw/zinc/29/61/86/211296186.db2.gz QSGTWQVFBNMFDC-UHFFFAOYSA-N 0 1 377.496 2.115 40 0 GEABMN C[C@H]1C[C@H](C)CN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373090 211103321 /nfs/dbraw/zinc/10/33/21/211103321.db2.gz GUSSHMJHNKDCSN-BZSNNMDCSA-N 0 1 386.540 2.264 40 0 GEABMN CN1CCn2c(nnc2[C@@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000072373882 211102973 /nfs/dbraw/zinc/10/29/73/211102973.db2.gz WSGUYOKIGXLQGR-SFHVURJKSA-N 0 1 395.507 2.135 40 0 GEABMN O=C(CCc1ccccc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380646 211107974 /nfs/dbraw/zinc/10/79/74/211107974.db2.gz APVJEFFEZJAAHF-SFHVURJKSA-N 0 1 396.491 2.221 40 0 GEABMN COCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019593089 210274223 /nfs/dbraw/zinc/27/42/23/210274223.db2.gz GTMGGQKUPNWBCT-HNNXBMFYSA-N 0 1 388.512 2.225 40 0 GEABMN C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCC3)CCN21 ZINC000514290233 560030028 /nfs/dbraw/zinc/03/00/28/560030028.db2.gz VJFKHJPLMWETAR-ICSRJNTNSA-N 0 1 377.916 2.086 40 0 biogenic,in-vitro GEABMN CN(C)C(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297548 560208233 /nfs/dbraw/zinc/20/82/33/560208233.db2.gz CGBLHCLLRWCKHG-SUMDDJOVSA-N 0 1 385.537 2.369 40 0 biogenic,in-vitro GEABMN O=C(c1ccccc1)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381912 570352768 /nfs/dbraw/zinc/35/27/68/570352768.db2.gz UZFQOOPFOSGCRT-OAQYLSRUSA-N 0 1 377.488 2.098 40 0 biogenic,in-vitro GEABMN CC(C)CN1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381986 570352969 /nfs/dbraw/zinc/35/29/69/570352969.db2.gz XURKXWJJPXWNPL-GOSISDBHSA-N 0 1 377.916 2.207 40 0 biogenic,in-vitro GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2C)s1 ZINC000222996164 570435978 /nfs/dbraw/zinc/43/59/78/570435978.db2.gz NJEQYJNDSJQKCC-UHFFFAOYSA-N 0 1 386.524 2.017 40 0 GEABMN O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nn[nH]n1)OCc1ccccc1 ZINC000006575065 570483994 /nfs/dbraw/zinc/48/39/94/570483994.db2.gz RRRWSMXGMNESTN-MRXNPFEDSA-N 0 1 381.392 2.301 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)s1 ZINC000224042412 570495949 /nfs/dbraw/zinc/49/59/49/570495949.db2.gz FDMIPHXGAFUTCI-GFCCVEGCSA-N 0 1 398.510 2.249 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2Cl)s1 ZINC000224147454 570500897 /nfs/dbraw/zinc/50/08/97/570500897.db2.gz JNIGQIOELODCTI-UHFFFAOYSA-N 0 1 388.902 2.451 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCSc2ccc(Cl)cc2)s1 ZINC000224511152 570516026 /nfs/dbraw/zinc/51/60/26/570516026.db2.gz MFIZOXFFWFCHEA-UHFFFAOYSA-N 0 1 392.915 2.221 40 0 GEABMN COc1ccccc1CNC(=O)CN1CCC(n2cnc3cccnc32)CC1 ZINC000012114667 570609993 /nfs/dbraw/zinc/60/99/93/570609993.db2.gz UOHKCHDUISHNPE-UHFFFAOYSA-N 0 1 379.464 2.393 40 0 GEABMN COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCCC4)[nH]c(=O)c3C1)CO2 ZINC000012145351 570616331 /nfs/dbraw/zinc/61/63/31/570616331.db2.gz FXWIWDSCQSTQAM-UHFFFAOYSA-N 0 1 394.475 2.213 40 0 GEABMN O=C(CN1C(=O)CC[C@]12CCCN(Cc1nccs1)CC2)N1CCCC1 ZINC000585100694 570925359 /nfs/dbraw/zinc/92/53/59/570925359.db2.gz SYLNKHWCLAVEOK-IBGZPJMESA-N 0 1 376.526 2.113 40 0 GEABMN CCN1CCN(c2ccc(CNC(=O)NC[C@H]3C(C)(C)C3(F)F)cn2)CC1 ZINC000660350209 570952936 /nfs/dbraw/zinc/95/29/36/570952936.db2.gz KBIBEFJOBSKWGB-HNNXBMFYSA-N 0 1 381.471 2.314 40 0 GEABMN CN1c2ccccc2[C@H](CC(=O)N2CCC(CCN3CCOCC3)CC2)C1=O ZINC000019657372 571023892 /nfs/dbraw/zinc/02/38/92/571023892.db2.gz RVOWYKLXDWCKDB-IBGZPJMESA-N 0 1 385.508 2.098 40 0 GEABMN O=C(COc1ccccn1)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCCCC2)C1 ZINC000257281736 222769284 /nfs/dbraw/zinc/76/92/84/222769284.db2.gz OQTNIZWBMJALLJ-MRXNPFEDSA-N 0 1 397.479 2.216 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Br)cc2F)s1 ZINC000225671196 532486746 /nfs/dbraw/zinc/48/67/46/532486746.db2.gz OOFPHYYMZLZBAW-UHFFFAOYSA-N 0 1 395.235 2.199 40 0 GEABMN O=c1[nH]c2ccccc2n1C1CCN(C[C@@H](O)[C@H]2COc3ccccc3O2)CC1 ZINC000001869697 212258384 /nfs/dbraw/zinc/25/83/84/212258384.db2.gz ZBPOBVZNVTZLGP-WIYYLYMNSA-N 0 1 395.459 2.167 40 0 GEABMN COCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br ZINC000001592030 212249799 /nfs/dbraw/zinc/24/97/99/212249799.db2.gz AICPUXCDOWQHMN-UHFFFAOYSA-N 0 1 387.259 2.077 40 0 GEABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 ZINC000253409154 212136223 /nfs/dbraw/zinc/13/62/23/212136223.db2.gz ZOUROXXITOTHRM-GGAORHGYSA-N 0 1 385.552 2.346 40 0 biogenic,in-vitro GEABMN CC(C)c1nc(NC2CC2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000329008563 212093508 /nfs/dbraw/zinc/09/35/08/212093508.db2.gz LTDHMEKEZHLSEF-UHFFFAOYSA-N 0 1 387.509 2.384 40 0 GEABMN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000007597359 221002014 /nfs/dbraw/zinc/00/20/14/221002014.db2.gz IBRFLBSZPFHWTB-YESZJQIVSA-N 0 1 387.480 2.098 40 0 GEABMN CC(C)(C)c1cc2nc(C3CCN(Cc4cnc(N)nc4)CC3)cc(N)n2n1 ZINC000012120872 221154512 /nfs/dbraw/zinc/15/45/12/221154512.db2.gz XWTHUXHQVZQFEZ-UHFFFAOYSA-N 0 1 380.500 2.361 40 0 GEABMN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012292092 221175441 /nfs/dbraw/zinc/17/54/41/221175441.db2.gz XDDCGVSBOGMCES-GOSISDBHSA-N 0 1 385.460 2.483 40 0 GEABMN Clc1ncccc1-c1noc(CN2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000013996433 221296119 /nfs/dbraw/zinc/29/61/19/221296119.db2.gz QNQVNKPPBHQDTQ-AWEZNQCLSA-N 0 1 377.876 2.329 40 0 GEABMN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000019079958 221396472 /nfs/dbraw/zinc/39/64/72/221396472.db2.gz HPILVOPTNAWWBS-HNNXBMFYSA-N 0 1 383.448 2.358 40 0 GEABMN CN1CCN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 ZINC000096589050 136187314 /nfs/dbraw/zinc/18/73/14/136187314.db2.gz KUMNWGHPVKZBQV-UHFFFAOYSA-N 0 1 388.493 2.062 40 0 GEABMN O=C(CN1CCCC1)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 ZINC000072353569 222237676 /nfs/dbraw/zinc/23/76/76/222237676.db2.gz SSNUJUJYOBVYGH-LJQANCHMSA-N 0 1 379.508 2.080 40 0 GEABMN NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)N3CCCC3)C2)c1 ZINC000072358558 222238968 /nfs/dbraw/zinc/23/89/68/222238968.db2.gz IEMFMPQBOAMBJY-SFHVURJKSA-N 0 1 393.491 2.044 40 0 GEABMN O=C(CN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCOCC1 ZINC000072358525 222239797 /nfs/dbraw/zinc/23/97/97/222239797.db2.gz GORNCEVSIMNSJE-QGZVFWFLSA-N 0 1 384.455 2.321 40 0 GEABMN O=C(Cc1c[nH]c2ccccc12)N1CCc2nnc([C@@H]3CCCCN3)n2CC1 ZINC000072372836 222243048 /nfs/dbraw/zinc/24/30/48/222243048.db2.gz SOOLIWGJMFMSDD-SFHVURJKSA-N 0 1 378.480 2.201 40 0 GEABMN O=C(c1ccc(N2CCCC2)cc1)N1CCc2nnc([C@@H]3CCCCN3)n2CC1 ZINC000072372830 222243229 /nfs/dbraw/zinc/24/32/29/222243229.db2.gz RANAUXCHACWPAV-IBGZPJMESA-N 0 1 394.523 2.391 40 0 GEABMN O=C(CCc1ccccc1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380647 222244737 /nfs/dbraw/zinc/24/47/37/222244737.db2.gz APVJEFFEZJAAHF-GOSISDBHSA-N 0 1 396.491 2.221 40 0 GEABMN CN(Cc1cccnc1)[C@H]1COC2(C1)CCN(C(=O)NCc1cccnc1)CC2 ZINC000096220874 222398053 /nfs/dbraw/zinc/39/80/53/222398053.db2.gz BFUXETVADCRVHZ-HXUWFJFHSA-N 0 1 395.507 2.442 40 0 GEABMN Cc1nc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763191 570217403 /nfs/dbraw/zinc/21/74/03/570217403.db2.gz VHVBEQAQQSEIEB-HNNXBMFYSA-N 0 1 382.468 2.154 40 0 GEABMN CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CC3)cn21 ZINC000096268079 570227540 /nfs/dbraw/zinc/22/75/40/570227540.db2.gz KRNPGZWSYHJDSK-LJQANCHMSA-N 0 1 396.539 2.346 40 0 GEABMN O=S(=O)(Cc1nnc[nH]1)c1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000685938917 570398150 /nfs/dbraw/zinc/39/81/50/570398150.db2.gz FAPZDLNSAFBUSH-UHFFFAOYSA-N 0 1 386.481 2.466 40 0 GEABMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)NC(=O)C(C(N)=O)=C1C ZINC000005417350 570438512 /nfs/dbraw/zinc/43/85/12/570438512.db2.gz GZZDORQGCOVCPL-ZSOIEALJSA-N 0 1 380.404 2.185 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CCCc3cc(OC)ccc32)s1 ZINC000225009701 570542932 /nfs/dbraw/zinc/54/29/32/570542932.db2.gz GBITXCOXRKEUOG-ZDUSSCGKSA-N 0 1 396.494 2.251 40 0 GEABMN Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCC[NH+](C)C ZINC000010333764 570569305 /nfs/dbraw/zinc/56/93/05/570569305.db2.gz WNHUNKWZBDZQLN-UHFFFAOYSA-N 0 1 375.494 2.477 40 0 GEABMN CN1CCN(C(=O)c2ccccc2-c2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000257216539 570762028 /nfs/dbraw/zinc/76/20/28/570762028.db2.gz CUYQSOCBFCGTFN-HSZRJFAPSA-N 0 1 390.487 2.369 40 0 GEABMN CCc1n[nH]c(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[nH]c2=O)O3)c1C ZINC000257231315 570765032 /nfs/dbraw/zinc/76/50/32/570765032.db2.gz GGDJOLZDXIVZMA-WYRIXSBYSA-N 0 1 387.440 2.091 40 0 GEABMN CC(=O)NCC[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(CN(C)C)cn2)C1 ZINC000257252723 570770621 /nfs/dbraw/zinc/77/06/21/570770621.db2.gz JVXCGDTVMDIXHC-SFHVURJKSA-N 0 1 397.523 2.312 40 0 GEABMN COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000257257820 570771590 /nfs/dbraw/zinc/77/15/90/570771590.db2.gz KRFGYKYXIXEJBH-JOCHJYFZSA-N 0 1 399.491 2.285 40 0 GEABMN COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000257257820 570771594 /nfs/dbraw/zinc/77/15/94/570771594.db2.gz KRFGYKYXIXEJBH-JOCHJYFZSA-N 0 1 399.491 2.285 40 0 GEABMN O=C(CC1CC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257339688 570783868 /nfs/dbraw/zinc/78/38/68/570783868.db2.gz ZCTPJIVMQISHQI-QNWVGRARSA-N 0 1 386.536 2.476 40 0 GEABMN CCN1CCN([C@H](c2nnnn2C(C)(C)C)c2ccc(OC)c(OC)c2)CC1 ZINC000019527980 570928214 /nfs/dbraw/zinc/92/82/14/570928214.db2.gz RWPDRRSKJTUEDJ-SFHVURJKSA-N 0 1 388.516 2.172 40 0 GEABMN Cc1nc(C(=O)N2CCC3(CO[C@@H](CN(C)Cc4cccnc4)C3)CC2)c[nH]1 ZINC000585104485 570932972 /nfs/dbraw/zinc/93/29/72/570932972.db2.gz PDQRRZGBTDXCPM-GOSISDBHSA-N 0 1 383.496 2.256 40 0 GEABMN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000019497350 570989991 /nfs/dbraw/zinc/98/99/91/570989991.db2.gz UIUMOVFVZWOTHX-IYBDPMFKSA-N 0 1 383.496 2.434 40 0 GEABMN CC1CCN(C(=O)CN2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496715 570989999 /nfs/dbraw/zinc/98/99/99/570989999.db2.gz NKBKIGBFWGISGV-GOSISDBHSA-N 0 1 386.540 2.408 40 0 GEABMN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000408601715 529918124 /nfs/dbraw/zinc/91/81/24/529918124.db2.gz GQEMNTQYXMLWPX-LBPRGKRZSA-N 0 1 394.449 2.018 40 0 GEABMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)NC)sc2C)cc1 ZINC000006680019 531527738 /nfs/dbraw/zinc/52/77/38/531527738.db2.gz UMBQDTOCWGJUQT-UHFFFAOYSA-N 0 1 382.463 2.394 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(OC(C)C)c2)s1 ZINC000225685639 532487755 /nfs/dbraw/zinc/48/77/55/532487755.db2.gz ZWVRLAFNASCVJR-UHFFFAOYSA-N 0 1 384.483 2.152 40 0 GEABMN Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NCCCO)n1 ZINC000328984075 532801266 /nfs/dbraw/zinc/80/12/66/532801266.db2.gz HKJWSEKQXCFVMZ-UHFFFAOYSA-N 0 1 377.286 2.905 40 0 GEABMN O=C1N[C@@H](c2cccc(F)c2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000001295779 212233543 /nfs/dbraw/zinc/23/35/43/212233543.db2.gz RCGUUSMQBUGZQB-WWGRRREGSA-N 0 1 383.301 2.325 40 0 GEABMN COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000012114891 221152106 /nfs/dbraw/zinc/15/21/06/221152106.db2.gz UOTYHKYIQXYXGP-UHFFFAOYSA-N 0 1 399.476 2.444 40 0 GEABMN O=C(NCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)[C@H]1CCCO1 ZINC000012326473 221182697 /nfs/dbraw/zinc/18/26/97/221182697.db2.gz QIPCHWHEBKURJK-MRXNPFEDSA-N 0 1 386.414 2.284 40 0 GEABMN CC(=O)Nc1ccc(NC(=O)[C@@H]2C=C([O-])NC(Nc3ccc(C)cc3)=[NH+]2)cc1 ZINC000013999929 221296375 /nfs/dbraw/zinc/29/63/75/221296375.db2.gz MEHRXWCFIICNJY-KRWDZBQOSA-N 0 1 379.420 2.249 40 0 GEABMN CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334312 222230078 /nfs/dbraw/zinc/23/00/78/222230078.db2.gz NLZCQIYMRDHYNA-AVRDEDQJSA-N 0 1 380.444 2.243 40 0 GEABMN O=C(CN1CCCC1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 ZINC000072353570 222238417 /nfs/dbraw/zinc/23/84/17/222238417.db2.gz SSNUJUJYOBVYGH-IBGZPJMESA-N 0 1 379.508 2.080 40 0 GEABMN O=C(CN1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1)N1CCOCC1 ZINC000072358526 222239936 /nfs/dbraw/zinc/23/99/36/222239936.db2.gz GORNCEVSIMNSJE-KRWDZBQOSA-N 0 1 384.455 2.321 40 0 GEABMN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cnc(C)nc4)C[C@H]32)c(OCC)n1 ZINC000072392655 222249891 /nfs/dbraw/zinc/24/98/91/222249891.db2.gz YZYLYQLCESXVGU-YRISNDGFSA-N 0 1 399.495 2.102 40 0 GEABMN O=C(c1ccc2ncccc2c1)N1CCO[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096076626 222376055 /nfs/dbraw/zinc/37/60/55/222376055.db2.gz CYCRXHAWAUBNCH-QFIPXVFZSA-N 0 1 381.476 2.188 40 0 GEABMN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCC4)n3)ccn2)CC1 ZINC000049155051 560084098 /nfs/dbraw/zinc/08/40/98/560084098.db2.gz OFCGWMOWSKHMND-SFHVURJKSA-N 0 1 396.495 2.490 40 0 biogenic,in-vitro GEABMN O=C(Cn1cccc(C(=O)NC2CCCC2)c1=O)Nc1ccc2nc[nH]c2c1 ZINC000019746283 570213555 /nfs/dbraw/zinc/21/35/55/570213555.db2.gz JPZCBRIFNWAFTJ-UHFFFAOYSA-N 0 1 379.420 2.036 40 0 GEABMN O=C(CC1CCN(Cc2ccccn2)CC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000019748592 570214277 /nfs/dbraw/zinc/21/42/77/570214277.db2.gz QLTCNDREEJVOEH-UHFFFAOYSA-N 0 1 384.524 2.201 40 0 GEABMN Cn1cc(CN2CCC(Cc3nn(C)cc3C(=O)NC3CCCC3)CC2)cn1 ZINC000019754963 570216313 /nfs/dbraw/zinc/21/63/13/570216313.db2.gz CVDLHBOREXJAES-UHFFFAOYSA-N 0 1 384.528 2.281 40 0 GEABMN Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)ncc1C(=O)NCc1ccccc1 ZINC000019764477 570217170 /nfs/dbraw/zinc/21/71/70/570217170.db2.gz FVQRFXXJEPBYTJ-LJQANCHMSA-N 0 1 395.507 2.330 40 0 GEABMN COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(C4CCCCC4)C3)C2)cc1 ZINC000604381260 570352396 /nfs/dbraw/zinc/35/23/96/570352396.db2.gz GLPNBCWKJBYZKW-HXUWFJFHSA-N 0 1 399.535 2.239 40 0 biogenic,in-vitro GEABMN COc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 ZINC000223245873 570452933 /nfs/dbraw/zinc/45/29/33/570452933.db2.gz ARNVSPIXMMTVMS-UHFFFAOYSA-N 0 1 378.450 2.271 40 0 GEABMN COc1cc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c(C(C)=O)cc1OC ZINC000223281940 570455754 /nfs/dbraw/zinc/45/57/54/570455754.db2.gz VDCKTNYVCKULHV-UHFFFAOYSA-N 0 1 392.433 2.115 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000223586070 570472736 /nfs/dbraw/zinc/47/27/36/570472736.db2.gz OGEJEWJHXMPAIH-LLVKDONJSA-N 0 1 382.467 2.077 40 0 GEABMN Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225650112 570598132 /nfs/dbraw/zinc/59/81/32/570598132.db2.gz SGVQZFAVNXCYTB-GFCCVEGCSA-N 0 1 398.510 2.187 40 0 GEABMN CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000257274513 570773948 /nfs/dbraw/zinc/77/39/48/570773948.db2.gz NLJFLPRCCYXJFU-SFHVURJKSA-N 0 1 380.492 2.456 40 0 GEABMN CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C[C@H](CO)C1 ZINC000257292782 570777032 /nfs/dbraw/zinc/77/70/32/570777032.db2.gz QMYGJONTDLYMNE-SFHVURJKSA-N 0 1 382.460 2.324 40 0 GEABMN C[C@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccncc4)C2)COC3)C[C@H](C)O1 ZINC000306128653 570938226 /nfs/dbraw/zinc/93/82/26/570938226.db2.gz HHMZNBZDQLMLNQ-HOIFWPIMSA-N 0 1 395.507 2.159 40 0 GEABMN c1cncc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306130566 570939291 /nfs/dbraw/zinc/93/92/91/570939291.db2.gz JJWASQRORQCRAY-SFHVURJKSA-N 0 1 378.480 2.341 40 0 GEABMN CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3cccc(OCC)c3)C2)O1 ZINC000306140002 570944384 /nfs/dbraw/zinc/94/43/84/570944384.db2.gz UGPUDXGRBUIRJL-CTNGQTDRSA-N 0 1 391.512 2.154 40 0 GEABMN CCc1ccc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)s1 ZINC000306141926 570945814 /nfs/dbraw/zinc/94/58/14/570945814.db2.gz WKKNQAXFPSUZHR-YLJYHZDGSA-N 0 1 380.554 2.393 40 0 GEABMN O=C(NC1CCCCC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254002 570947451 /nfs/dbraw/zinc/94/74/51/570947451.db2.gz RRVYYAJEGIFKDM-QRQLOZEOSA-N 0 1 394.523 2.499 40 0 biogenic,in-vitro GEABMN O=C(Cc1ccc2c(c1)OCCO2)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019345687 570977657 /nfs/dbraw/zinc/97/76/57/570977657.db2.gz FZHOBOBUWDYJIG-GOSISDBHSA-N 0 1 394.475 2.190 40 0 GEABMN O=C1N[C@]2(CCN(Cc3ccc(N4CCOCC4)nc3)C2)CCc2ccccc21 ZINC000019375243 570982007 /nfs/dbraw/zinc/98/20/07/570982007.db2.gz TZUFZPDRGRTEIZ-QHCPKHFHSA-N 0 1 392.503 2.239 40 0 GEABMN O=C1CC[C@@H](NCc2ccnc(N3CCCC3)n2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019404065 570983353 /nfs/dbraw/zinc/98/33/53/570983353.db2.gz GZUILEMRDCIHFL-MJGOQNOKSA-N 0 1 387.434 2.465 40 0 GEABMN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000019497349 570990121 /nfs/dbraw/zinc/99/01/21/570990121.db2.gz UIUMOVFVZWOTHX-HZPDHXFCSA-N 0 1 383.496 2.434 40 0 GEABMN C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019655316 571023362 /nfs/dbraw/zinc/02/33/62/571023362.db2.gz QDWSKDOLHXPGKV-KRWDZBQOSA-N 0 1 396.491 2.242 40 0 GEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1scnc1C)C2 ZINC000019708885 571033335 /nfs/dbraw/zinc/03/33/35/571033335.db2.gz BWVZEENASUYQNO-ZDUSSCGKSA-N 0 1 386.525 2.291 40 0 GEABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)COc1ccccc1)CC2 ZINC000019711477 571035523 /nfs/dbraw/zinc/03/55/23/571035523.db2.gz SYIFQKHJDFPGKI-MRXNPFEDSA-N 0 1 395.507 2.291 40 0 GEABMN C[NH+](C)CCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020487083 531582112 /nfs/dbraw/zinc/58/21/12/531582112.db2.gz OTCLEZKZSZJROY-UHFFFAOYSA-N 0 1 381.885 2.432 40 0 GEABMN CN(C)C(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297551 291114759 /nfs/dbraw/zinc/11/47/59/291114759.db2.gz CGBLHCLLRWCKHG-WDYCEAGBSA-N 0 1 385.537 2.369 40 0 biogenic,in-vitro GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSc2ccccc2)s1 ZINC000222722842 532485733 /nfs/dbraw/zinc/48/57/33/532485733.db2.gz AHVYDTLCRYTIGW-UHFFFAOYSA-N 0 1 386.524 2.203 40 0 GEABMN O=c1[nH]c2ccccc2n1C1CCN(C[C@H](O)[C@H]2COc3ccccc3O2)CC1 ZINC000001869696 212258872 /nfs/dbraw/zinc/25/88/72/212258872.db2.gz ZBPOBVZNVTZLGP-GHTZIAJQSA-N 0 1 395.459 2.167 40 0 GEABMN COc1cccc(CC(=O)NCCN2CCC(O)(c3cccc(F)c3)CC2)c1 ZINC000012326020 221182760 /nfs/dbraw/zinc/18/27/60/221182760.db2.gz NIEBRVKSPFJAJW-UHFFFAOYSA-N 0 1 386.467 2.477 40 0 GEABMN CN1CCn2c(nnc2[C@H]2CCCN2C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000072373883 222242242 /nfs/dbraw/zinc/24/22/42/222242242.db2.gz WSGUYOKIGXLQGR-GOSISDBHSA-N 0 1 395.507 2.135 40 0 GEABMN Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1c1nnc2n1CCN(C)C2 ZINC000072373996 222242820 /nfs/dbraw/zinc/24/28/20/222242820.db2.gz FUXXFRGQROKJMA-QGZVFWFLSA-N 0 1 383.496 2.473 40 0 GEABMN CC(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374958 222243063 /nfs/dbraw/zinc/24/30/63/222243063.db2.gz HWHKYHHBVFYPCC-KRWDZBQOSA-N 0 1 396.495 2.383 40 0 GEABMN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCN(C)C3)cc1F ZINC000072374008 222243529 /nfs/dbraw/zinc/24/35/29/222243529.db2.gz YODOQNVYBIBACI-MRXNPFEDSA-N 0 1 393.488 2.087 40 0 GEABMN Cc1cnc(CNC(=O)[C@H]2C[C@@]3(CO2)c2ccccc2CN3CC2CC2)cn1 ZINC000096143902 222387626 /nfs/dbraw/zinc/38/76/26/222387626.db2.gz KHHSVEHTIMWLNI-IFMALSPDSA-N 0 1 378.476 2.311 40 0 GEABMN Cc1nc(CN2CCOC[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2)cs1 ZINC000096229287 222399664 /nfs/dbraw/zinc/39/96/64/222399664.db2.gz IOSSHMQKYFTSCC-LJQANCHMSA-N 0 1 375.542 2.300 40 0 GEABMN CN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000097952853 570261525 /nfs/dbraw/zinc/26/15/25/570261525.db2.gz PMXWHDVLQFSJBT-NRFANRHFSA-N 0 1 381.480 2.021 40 0 GEABMN CN1c2ccccc2[C@@H](CC(=O)N2CCC(CCN3CCOCC3)CC2)C1=O ZINC000100788403 570278039 /nfs/dbraw/zinc/27/80/39/570278039.db2.gz RVOWYKLXDWCKDB-LJQANCHMSA-N 0 1 385.508 2.098 40 0 GEABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCOC(C)C)s2)c1 ZINC000223582583 570472857 /nfs/dbraw/zinc/47/28/57/570472857.db2.gz LWCLFPAZXUYILB-UHFFFAOYSA-N 0 1 398.510 2.192 40 0 GEABMN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000223671046 570477962 /nfs/dbraw/zinc/47/79/62/570477962.db2.gz XJUOFJVUCMQYAG-UHFFFAOYSA-N 0 1 397.474 2.376 40 0 GEABMN C[C@H](COc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000223968496 570492397 /nfs/dbraw/zinc/49/23/97/570492397.db2.gz VJBBWHRIPSKFNZ-LLVKDONJSA-N 0 1 398.510 2.269 40 0 GEABMN Cc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 ZINC000224620473 570520837 /nfs/dbraw/zinc/52/08/37/570520837.db2.gz JJNFXKYCWWVNPP-UHFFFAOYSA-N 0 1 382.511 2.352 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)s1 ZINC000225035710 570544615 /nfs/dbraw/zinc/54/46/15/570544615.db2.gz AUQAKECIGRSLEU-LBPRGKRZSA-N 0 1 382.511 2.432 40 0 GEABMN COCc1c(C)onc1C(=O)N1CC[C@@H](c2[nH]ncc2-c2ccnc(N)c2)C1 ZINC000257220353 570762573 /nfs/dbraw/zinc/76/25/73/570762573.db2.gz DKMQMPFWEKTZLS-CYBMUJFWSA-N 0 1 382.424 2.126 40 0 GEABMN CN(C)CC(=O)N1CCCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257230727 570764984 /nfs/dbraw/zinc/76/49/84/570764984.db2.gz GDQNXCFAYVSXPO-AWEZNQCLSA-N 0 1 389.525 2.196 40 0 GEABMN Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3cc(C)cc(C)c3[nH]2)[C@H]1O ZINC000257286153 570775910 /nfs/dbraw/zinc/77/59/10/570775910.db2.gz PKNJKUONLFOERU-QLVMHMETSA-N 0 1 381.480 2.498 40 0 GEABMN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1)c1cccnc1 ZINC000257292640 570777006 /nfs/dbraw/zinc/77/70/06/570777006.db2.gz QMJMMRRCLTUGMJ-CGXNFDGLSA-N 0 1 399.466 2.386 40 0 GEABMN O=C([O-])C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000009926540 570777436 /nfs/dbraw/zinc/77/74/36/570777436.db2.gz KIIKVOBDLGGHAJ-CYBMUJFWSA-N 0 1 386.326 2.014 40 0 GEABMN CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)COc1ccccn1 ZINC000257300195 570777846 /nfs/dbraw/zinc/77/78/46/570777846.db2.gz RTGWANJHUBYYDO-MRXNPFEDSA-N 0 1 385.468 2.419 40 0 GEABMN CN1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000306131395 570939870 /nfs/dbraw/zinc/93/98/70/570939870.db2.gz KDFUMBVEXLJDMF-SFHVURJKSA-N 0 1 382.512 2.054 40 0 GEABMN O=C(NC1CC1)c1ccc2c(c1)nc1n(c2=O)CCN(Cc2ccccc2)CC1 ZINC000019372418 570981124 /nfs/dbraw/zinc/98/11/24/570981124.db2.gz PPNWAUATMRFSCJ-UHFFFAOYSA-N 0 1 388.471 2.347 40 0 GEABMN CN(C)C(=O)c1cn[nH]c1C1CCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000019581383 571013375 /nfs/dbraw/zinc/01/33/75/571013375.db2.gz AWGJDZUMEDKLII-LJQANCHMSA-N 0 1 382.464 2.132 40 0 GEABMN COc1ccccc1CNC(=O)[C@@H]1CN(C)C[C@]12COc1ccc(F)cc1C2=O ZINC000019590830 571018667 /nfs/dbraw/zinc/01/86/67/571018667.db2.gz ODYGGJMUMTVDTJ-JTSKRJEESA-N 0 1 398.434 2.274 40 0 GEABMN Cc1nc2ccccc2c(=O)n1CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000019715152 571036761 /nfs/dbraw/zinc/03/67/61/571036761.db2.gz UQQFUVXJFBWBPW-IBGZPJMESA-N 0 1 382.439 2.263 40 0 GEABMN COc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H](C)O)cc1OC ZINC000012185582 221163627 /nfs/dbraw/zinc/16/36/27/221163627.db2.gz BWDMZJCBFBGWGB-OAHLLOKOSA-N 0 1 399.491 2.277 40 0 GEABMN O=C(CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCCN12)NC1CC1 ZINC000072342661 222232202 /nfs/dbraw/zinc/23/22/02/222232202.db2.gz LNFLBQQXCMPQOY-UHFFFAOYSA-N 0 1 387.915 2.289 40 0 GEABMN CN(C)c1cc(C[C@H]2CN(C)CCN(C(=O)CCCc3ccccc3)C2)ncn1 ZINC000072355228 222238782 /nfs/dbraw/zinc/23/87/82/222238782.db2.gz BMOMIGZDYYZSHS-FQEVSTJZSA-N 0 1 395.551 2.498 40 0 GEABMN COc1ccc(CCC(=O)N2CCC[C@@H](c3nnc4n3CCN(C)CC4)C2)cc1 ZINC000072370920 222241140 /nfs/dbraw/zinc/24/11/40/222241140.db2.gz SRDUBSJSWYJHFV-GOSISDBHSA-N 0 1 397.523 2.113 40 0 GEABMN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccoc2)CC3)C1=O ZINC000096036569 222372530 /nfs/dbraw/zinc/37/25/30/222372530.db2.gz WZKIKCWFRPVPKN-OAQYLSRUSA-N 0 1 388.512 2.098 40 0 GEABMN CN1CC2(CCN(Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145099 222389874 /nfs/dbraw/zinc/38/98/74/222389874.db2.gz NBUBUHIAKYAPEZ-UHFFFAOYSA-N 0 1 387.505 2.377 40 0 GEABMN COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(=O)[O-])C2 ZINC000253504891 560038273 /nfs/dbraw/zinc/03/82/73/560038273.db2.gz MMBJMAQFUGLJPZ-NIDNZAGZSA-N 0 1 383.444 2.000 40 0 biogenic,in-vitro GEABMN CC(C)c1cc(C(=O)N2CCO[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)n[nH]1 ZINC000019759769 570216819 /nfs/dbraw/zinc/21/68/19/570216819.db2.gz BJLMSNYGPQZOFE-IBGZPJMESA-N 0 1 393.447 2.394 40 0 GEABMN Cc1ccc(CNC(=O)c2cn(-c3nc(CN(C)C)c4ccccn43)cn2)o1 ZINC000096267056 570227244 /nfs/dbraw/zinc/22/72/44/570227244.db2.gz HFQLZGJOCQFOOM-UHFFFAOYSA-N 0 1 378.436 2.413 40 0 GEABMN CCCNC(=O)c1ccc2nnc([C@@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096268009 570227436 /nfs/dbraw/zinc/22/74/36/570227436.db2.gz LYEQAEVWGOKQTA-IBGZPJMESA-N 0 1 392.507 2.358 40 0 GEABMN Cc1cnc(Nc2cc([C@@H]3CN(C(=O)c4ccn[nH]4)CCO3)nc(C)n2)s1 ZINC000585263621 570231957 /nfs/dbraw/zinc/23/19/57/570231957.db2.gz WGQAWMYPFYUZCM-AWEZNQCLSA-N 0 1 385.453 2.230 40 0 GEABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000006362197 570362770 /nfs/dbraw/zinc/36/27/70/570362770.db2.gz BZSBPZAVYXOTMU-UHFFFAOYSA-N 0 1 393.417 2.378 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)s1 ZINC000223226251 570450837 /nfs/dbraw/zinc/45/08/37/570450837.db2.gz NTODDXVGRAGTQZ-UHFFFAOYSA-N 0 1 384.483 2.152 40 0 GEABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000223647976 570476717 /nfs/dbraw/zinc/47/67/17/570476717.db2.gz HGGSUUBSGWRHKX-UHFFFAOYSA-N 0 1 378.406 2.241 40 0 GEABMN COc1ccc(C)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000007418458 570504381 /nfs/dbraw/zinc/50/43/81/570504381.db2.gz BBMGJYRDMLAPIH-UHFFFAOYSA-N 0 1 398.506 2.363 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NC(C)(C)Cc2ccccc2)s1 ZINC000225164872 570552951 /nfs/dbraw/zinc/55/29/51/570552951.db2.gz BOVOZNQHCBAWBF-UHFFFAOYSA-N 0 1 382.511 2.432 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCSC2CCCCC2)s1 ZINC000225251845 570559498 /nfs/dbraw/zinc/55/94/98/570559498.db2.gz NFYRBGZVDZMDQR-UHFFFAOYSA-N 0 1 378.545 2.231 40 0 GEABMN Cc1nc2nc3ccn(-c4nnc[nH]4)c(=O)c3c(-c3ccccc3Cl)n2n1 ZINC000040398412 570601762 /nfs/dbraw/zinc/60/17/62/570601762.db2.gz CXLSHJMFFWJOHG-UHFFFAOYSA-N 0 1 378.783 2.175 40 0 GEABMN O=C(c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC1 ZINC000257215313 570762146 /nfs/dbraw/zinc/76/21/46/570762146.db2.gz CPOJWQCHXKERNR-OAHLLOKOSA-N 0 1 388.493 2.214 40 0 GEABMN Cn1c2ccc(C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)cc2n(C)c1=O ZINC000257226056 570763590 /nfs/dbraw/zinc/76/35/90/570763590.db2.gz FIYGCNXKQZXWEP-UNMCSNQZSA-N 0 1 381.476 2.281 40 0 GEABMN Cn1c2ccc(CN3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)cc2n(C)c1=O ZINC000257226056 570763593 /nfs/dbraw/zinc/76/35/93/570763593.db2.gz FIYGCNXKQZXWEP-UNMCSNQZSA-N 0 1 381.476 2.281 40 0 GEABMN CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(CCc1ccccc1)C2 ZINC000257240712 570768002 /nfs/dbraw/zinc/76/80/02/570768002.db2.gz HUTXCCAWXVXMPW-SFHVURJKSA-N 0 1 379.508 2.455 40 0 GEABMN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1)c1ccccn1 ZINC000257271528 570773632 /nfs/dbraw/zinc/77/36/32/570773632.db2.gz MYRASMMQQIJEGH-CGXNFDGLSA-N 0 1 399.466 2.386 40 0 GEABMN COCCN1C(=O)C[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1Cl ZINC000257279802 570774982 /nfs/dbraw/zinc/77/49/82/570774982.db2.gz OIFJVBRKWBGIHB-APWZRJJASA-N 0 1 393.915 2.040 40 0 GEABMN CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc2c1OCCC2 ZINC000660150303 570935347 /nfs/dbraw/zinc/93/53/47/570935347.db2.gz IBGVQESOGURAKM-QGZVFWFLSA-N 0 1 394.537 2.276 40 0 GEABMN Cc1snnc1C(=O)N1CCN2C[C@@H](OCc3ccccc3F)C[C@H]2C1 ZINC000585107951 570939829 /nfs/dbraw/zinc/93/98/29/570939829.db2.gz LHMLTRHEWFBVOT-GJZGRUSLSA-N 0 1 376.457 2.101 40 0 GEABMN O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019337353 570976420 /nfs/dbraw/zinc/97/64/20/570976420.db2.gz NDNFPZSAEYIUTL-INIZCTEOSA-N 0 1 393.491 2.095 40 0 GEABMN c1ccc(-c2nn[nH]c2CN(CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000019373943 570981591 /nfs/dbraw/zinc/98/15/91/570981591.db2.gz OJAALTHONRNASC-UHFFFAOYSA-N 0 1 378.480 2.201 40 0 GEABMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000004751405 570992968 /nfs/dbraw/zinc/99/29/68/570992968.db2.gz XIRZRIMQXCVAIQ-QSNWEANLSA-N 0 1 391.402 2.257 40 0 GEABMN Cc1cc(C)n(-c2ccc(C(=O)N3CCC(CCN4CCOCC4)CC3)cn2)n1 ZINC000019656320 571023370 /nfs/dbraw/zinc/02/33/70/571023370.db2.gz VGDMGSUHKSLAJY-UHFFFAOYSA-N 0 1 397.523 2.459 40 0 GEABMN CCOCc1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCN(C)CC3)cc1 ZINC000019710637 571034849 /nfs/dbraw/zinc/03/48/49/571034849.db2.gz RPWONGJAEHSSAV-SFHVURJKSA-N 0 1 383.496 2.280 40 0 GEABMN Cn1c2cc(NC(=O)c3ccccc3F)c(N3CCN(C)CC3)cc2n(C)c1=O ZINC000408535597 231053820 /nfs/dbraw/zinc/05/38/20/231053820.db2.gz ZAGDJCSAUZIPPX-UHFFFAOYSA-N 0 1 397.454 2.020 40 0 GEABMN COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2OC)c1 ZINC000223795553 222644137 /nfs/dbraw/zinc/64/41/37/222644137.db2.gz SQIYZZNGLLOBCY-UHFFFAOYSA-N 0 1 379.390 2.069 40 0 GEABMN Cn1ccnc1C(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1 ZINC000257327467 222776637 /nfs/dbraw/zinc/77/66/37/222776637.db2.gz XBLMDGYUVPOGPH-HNNXBMFYSA-N 0 1 384.484 2.179 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Br)s1 ZINC000036182907 531659089 /nfs/dbraw/zinc/65/90/89/531659089.db2.gz ZANQQZQHRJQMMW-UHFFFAOYSA-N 0 1 377.245 2.060 40 0 GEABMN COC(=O)C1C(CSc2nncn2C)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008306818 221035942 /nfs/dbraw/zinc/03/59/42/221035942.db2.gz LSQRZYQKUQVEGR-OAHLLOKOSA-N 0 1 387.465 2.005 40 0 GEABMN COc1cccc(CNC(=O)CN2CCC(n3cnc4cccnc43)CC2)c1 ZINC000012114668 221151655 /nfs/dbraw/zinc/15/16/55/221151655.db2.gz RNBYBYPXAYWVER-UHFFFAOYSA-N 0 1 379.464 2.393 40 0 GEABMN Cc1nn(CC(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)c(C)c1C ZINC000012326189 221183053 /nfs/dbraw/zinc/18/30/53/221183053.db2.gz DXELWOHGEUEMKA-UHFFFAOYSA-N 0 1 388.487 2.047 40 0 GEABMN CCn1ncc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000012222277 221169757 /nfs/dbraw/zinc/16/97/57/221169757.db2.gz OPJXBROGPLTNGO-IBGZPJMESA-N 0 1 389.525 2.154 40 0 GEABMN COc1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000016026831 221355259 /nfs/dbraw/zinc/35/52/59/221355259.db2.gz BFXYJHATFXQDDP-RUERPSORSA-N 0 1 395.459 2.149 40 0 GEABMN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000036741319 221866802 /nfs/dbraw/zinc/86/68/02/221866802.db2.gz SNBHMXKVQPVFAW-FQEVSTJZSA-N 0 1 381.480 2.439 40 0 GEABMN COc1ccc(-c2cc(CC3(NC4CCN(C(C)=O)CC4)COC3)no2)cc1 ZINC000072321946 222225938 /nfs/dbraw/zinc/22/59/38/222225938.db2.gz AMWVFYPCRBXCRM-UHFFFAOYSA-N 0 1 385.464 2.262 40 0 biogenic,in-vitro GEABMN CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CN(C)C)C2)c1 ZINC000072359098 222240062 /nfs/dbraw/zinc/24/00/62/222240062.db2.gz FPYJAVGFUVHFJW-KRWDZBQOSA-N 0 1 381.480 2.370 40 0 GEABMN COCCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096145773 222389599 /nfs/dbraw/zinc/38/95/99/222389599.db2.gz HBGWCACOXJNGDU-IRXDYDNUSA-N 0 1 382.526 2.205 40 0 GEABMN CN(C)S(=O)(=O)N1CCC2(CC1)CN(Cc1ccoc1)Cc1ccccc12 ZINC000096242498 570223334 /nfs/dbraw/zinc/22/33/34/570223334.db2.gz BVWPNZTZGSMURH-UHFFFAOYSA-N 0 1 389.521 2.435 40 0 GEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCCC2)s1 ZINC000223100523 570443648 /nfs/dbraw/zinc/44/36/48/570443648.db2.gz OJRZZSOYZWLUBC-UHFFFAOYSA-N 0 1 390.531 2.150 40 0 GEABMN O=C([O-])[C@H]1CCC[N@@H+](Cc2c(-c3ccc4c(c3)OCO4)nc3ncccn23)C1 ZINC000006740873 570491630 /nfs/dbraw/zinc/49/16/30/570491630.db2.gz LOIBWHFIFZCKDA-AWEZNQCLSA-N 0 1 380.404 2.422 40 0 GEABMN COc1cc(CN2CCC(NC(=S)NC3CC3)CC2)cc(OC)c1OC ZINC000225228722 570558006 /nfs/dbraw/zinc/55/80/06/570558006.db2.gz ZCRGGWABNNUSNL-UHFFFAOYSA-N 0 1 379.526 2.303 40 0 GEABMN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000036741320 570569519 /nfs/dbraw/zinc/56/95/19/570569519.db2.gz SNBHMXKVQPVFAW-HXUWFJFHSA-N 0 1 381.480 2.439 40 0 GEABMN Cc1nnc(SCCNC(=O)CCc2nc(-c3ccc(F)cc3)no2)[nH]1 ZINC000225872764 570629113 /nfs/dbraw/zinc/62/91/13/570629113.db2.gz IIGUCNRTIVHXBW-UHFFFAOYSA-N 0 1 376.417 2.143 40 0 GEABMN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 ZINC000006348375 570741261 /nfs/dbraw/zinc/74/12/61/570741261.db2.gz NWAALAKVDALRQU-UHFFFAOYSA-N 0 1 393.417 2.459 40 0 GEABMN NC(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000257205827 570760751 /nfs/dbraw/zinc/76/07/51/570760751.db2.gz BATHPBQCJLLNAD-GOSISDBHSA-N 0 1 376.844 2.240 40 0 GEABMN CN1C(=O)C2(CCN(C(=O)CN3CCCCC3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 ZINC000257305595 570778943 /nfs/dbraw/zinc/77/89/43/570778943.db2.gz SQRKSBBZIJXAKC-CTNGQTDRSA-N 0 1 399.535 2.045 40 0 GEABMN CCCN1CC[N@@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257322305 570781341 /nfs/dbraw/zinc/78/13/41/570781341.db2.gz WFKQXHYBDTYTCV-HXUWFJFHSA-N 0 1 394.519 2.337 40 0 GEABMN Cn1cc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)cn1 ZINC000019290574 570971966 /nfs/dbraw/zinc/97/19/66/570971966.db2.gz ITOQDSQRBCYAER-UHFFFAOYSA-N 0 1 396.470 2.354 40 0 GEABMN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 ZINC000019291424 570972157 /nfs/dbraw/zinc/97/21/57/570972157.db2.gz UBGHMPYRQPYACA-QIDMFYOTSA-N 0 1 396.539 2.320 40 0 GEABMN O=C(CN1CCCC1)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019344036 570977744 /nfs/dbraw/zinc/97/77/44/570977744.db2.gz YLAJXGHSFHFMNJ-UHFFFAOYSA-N 0 1 382.493 2.281 40 0 GEABMN O=C(CCc1ccncc1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375643 570981986 /nfs/dbraw/zinc/98/19/86/570981986.db2.gz GRPHVOKVBWCUIL-MRXNPFEDSA-N 0 1 398.488 2.275 40 0 GEABMN CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019498517 570990811 /nfs/dbraw/zinc/99/08/11/570990811.db2.gz UFHDKHHZTCCOPP-INIZCTEOSA-N 0 1 396.491 2.475 40 0 GEABMN Cc1c(CN2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cnn1C ZINC000019553705 571002589 /nfs/dbraw/zinc/00/25/89/571002589.db2.gz HGTZIAQQGKTBSM-KRWDZBQOSA-N 0 1 394.479 2.421 40 0 GEABMN CN(C)c1ncccc1CN1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000019715723 571038011 /nfs/dbraw/zinc/03/80/11/571038011.db2.gz BUPWCDRXGSYBSH-UHFFFAOYSA-N 0 1 393.491 2.234 40 0 GEABMN O=c1[nH]c2ccccc2n1C1CCN(C[C@@H](O)[C@@H]2COc3ccccc3O2)CC1 ZINC000001869700 212258618 /nfs/dbraw/zinc/25/86/18/212258618.db2.gz ZBPOBVZNVTZLGP-NQIIRXRSSA-N 0 1 395.459 2.167 40 0 GEABMN CCSc1nc(N)c(Br)c(Sc2nc(N)nc3[nH]cnc32)n1 ZINC000008615351 221046890 /nfs/dbraw/zinc/04/68/90/221046890.db2.gz YQTDLDANZUXACD-UHFFFAOYSA-N 0 1 399.303 2.333 40 0 GEABMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc2c(c1)OCO2 ZINC000012147398 221160172 /nfs/dbraw/zinc/16/01/72/221160172.db2.gz PXGQWCJJDJFQAJ-KRWDZBQOSA-N 0 1 379.420 2.233 40 0 GEABMN CC(C)NC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000015676200 221339125 /nfs/dbraw/zinc/33/91/25/221339125.db2.gz CYYHKDSKWWVPRK-INIZCTEOSA-N 0 1 375.860 2.224 40 0 biogenic,in-vitro GEABMN O=C([O-])C1CC[NH+]([C@H]2CC(=O)N(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000018063708 221385816 /nfs/dbraw/zinc/38/58/16/221385816.db2.gz KIIKVOBDLGGHAJ-ZDUSSCGKSA-N 0 1 386.326 2.014 40 0 GEABMN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019081374 221395939 /nfs/dbraw/zinc/39/59/39/221395939.db2.gz JDZYAGNSDQXCOB-QGZVFWFLSA-N 0 1 388.512 2.017 40 0 GEABMN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019081374 221395942 /nfs/dbraw/zinc/39/59/42/221395942.db2.gz JDZYAGNSDQXCOB-QGZVFWFLSA-N 0 1 388.512 2.017 40 0 GEABMN CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5CC5)CC4)[n-]n3c(=O)c2C1 ZINC000019448123 221412132 /nfs/dbraw/zinc/41/21/32/221412132.db2.gz IVFZGPSCFCWKMS-UHFFFAOYSA-N 0 1 383.496 2.317 40 0 GEABMN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000055374413 222021385 /nfs/dbraw/zinc/02/13/85/222021385.db2.gz AKHZFGDQAHCPLJ-SQNIBIBYSA-N 0 1 389.521 2.164 40 0 GEABMN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000072337470 222229777 /nfs/dbraw/zinc/22/97/77/222229777.db2.gz IUSBEIGUMNXQIL-UIBIWLFHSA-N 0 1 383.496 2.125 40 0 GEABMN COc1ccc(-n2ncc3c2N(CCN2CCCCC2)C(=O)N2CCN=C32)cc1 ZINC000072347791 222235038 /nfs/dbraw/zinc/23/50/38/222235038.db2.gz BFHFGQPCDJXMAG-UHFFFAOYSA-N 0 1 394.479 2.369 40 0 GEABMN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CN(C)C)C2)c1 ZINC000072359097 222239531 /nfs/dbraw/zinc/23/95/31/222239531.db2.gz FPYJAVGFUVHFJW-QGZVFWFLSA-N 0 1 381.480 2.370 40 0 GEABMN CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)[nH]n1)C2 ZINC000072390846 222247290 /nfs/dbraw/zinc/24/72/90/222247290.db2.gz AMJMUYGJJIVXPO-SFHVURJKSA-N 0 1 382.468 2.205 40 0 GEABMN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056063 222376153 /nfs/dbraw/zinc/37/61/53/222376153.db2.gz AYHHDPYSCACVAA-RXVVDRJESA-N 0 1 381.480 2.153 40 0 GEABMN COc1cccc2[nH]c(C[C@H]3C[N@@H+](Cc4c[nH]cn4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288355 560035232 /nfs/dbraw/zinc/03/52/32/560035232.db2.gz AVFCMUDTPUXTHM-KBPBESRZSA-N 0 1 383.452 2.450 40 0 biogenic,in-vitro GEABMN COc1cccc2[nH]c(C[C@H]3C[N@H+](Cc4cnc[nH]4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288355 560035233 /nfs/dbraw/zinc/03/52/33/560035233.db2.gz AVFCMUDTPUXTHM-KBPBESRZSA-N 0 1 383.452 2.450 40 0 biogenic,in-vitro GEABMN COc1cccc2[nH]c(C[C@H]3C[N@@H+](Cc4cnc[nH]4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288355 560035234 /nfs/dbraw/zinc/03/52/34/560035234.db2.gz AVFCMUDTPUXTHM-KBPBESRZSA-N 0 1 383.452 2.450 40 0 biogenic,in-vitro GEABMN CC(C)N1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424728 560080483 /nfs/dbraw/zinc/08/04/83/560080483.db2.gz KYOTTYRBFKLUKZ-INIZCTEOSA-N 0 1 384.484 2.379 40 0 biogenic,in-vitro GEABMN Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CC1CC1 ZINC000019740870 570212022 /nfs/dbraw/zinc/21/20/22/570212022.db2.gz YGWZWPUHIAYAFS-QGZVFWFLSA-N 0 1 385.512 2.089 40 0 GEABMN O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)N1CCN(C2CCCC2)CC1 ZINC000019749846 570215073 /nfs/dbraw/zinc/21/50/73/570215073.db2.gz COPTUCSLQLKKOG-UHFFFAOYSA-N 0 1 399.470 2.361 40 0 GEABMN CCCNC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096268010 570227518 /nfs/dbraw/zinc/22/75/18/570227518.db2.gz LYEQAEVWGOKQTA-LJQANCHMSA-N 0 1 392.507 2.358 40 0 GEABMN O=C(c1ccn[nH]1)N1CCC[C@H](c2cncc(-c3noc(C(F)(F)F)n3)n2)C1 ZINC000585290883 570259392 /nfs/dbraw/zinc/25/93/92/570259392.db2.gz XAWUMPWRDKHTPX-VIFPVBQESA-N 0 1 393.329 2.288 40 0 GEABMN CCO[C@@]12C[C@@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7[C@]1(CCN2C4)[C@@H]6[C@@H]53 ZINC000005015117 570423968 /nfs/dbraw/zinc/42/39/68/570423968.db2.gz BWCUFELTNOPYLM-OYHQFHQZSA-N 0 1 378.472 2.457 40 0 GEABMN COC(=O)c1ccccc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1C ZINC000223337554 570459418 /nfs/dbraw/zinc/45/94/18/570459418.db2.gz ALNHBBPRWVKDKB-UHFFFAOYSA-N 0 1 376.390 2.027 40 0 GEABMN COCCn1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035313358 570468121 /nfs/dbraw/zinc/46/81/21/570468121.db2.gz PDAGMHRTKONWOE-UHFFFAOYSA-N 0 1 392.507 2.227 40 0 GEABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1)c1ccccc1 ZINC000223566606 570471585 /nfs/dbraw/zinc/47/15/85/570471585.db2.gz HKIUILCHFCRINL-UHFFFAOYSA-N 0 1 392.437 2.408 40 0 GEABMN C[C@H]1CN(C[C@H](O)COCCOc2ccc(Br)cc2)C[C@H](C)O1 ZINC000035031383 570549113 /nfs/dbraw/zinc/54/91/13/570549113.db2.gz WDJDDDDGZZYKJP-DZKIICNBSA-N 0 1 388.302 2.315 40 0 GEABMN CCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000225166777 570553079 /nfs/dbraw/zinc/55/30/79/570553079.db2.gz LKQPGZDFRIJWBT-UHFFFAOYSA-N 0 1 398.510 2.052 40 0 GEABMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000225252569 570559425 /nfs/dbraw/zinc/55/94/25/570559425.db2.gz ZQLJZLJGBCSFLS-UHFFFAOYSA-N 0 1 390.417 2.158 40 0 GEABMN Cc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4ccc(Cl)cc4)c3c2=O)n1 ZINC000040372853 570598335 /nfs/dbraw/zinc/59/83/35/570598335.db2.gz CMIZKJOOCFYLSA-UHFFFAOYSA-N 0 1 392.810 2.484 40 0 GEABMN CCc1nc2nc3ccn(-c4nnc[nH]4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000040372859 570598506 /nfs/dbraw/zinc/59/85/06/570598506.db2.gz BUDCTLCRTQCADA-UHFFFAOYSA-N 0 1 392.810 2.429 40 0 GEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCSc2ccc(C)cc2)s1 ZINC000225845878 570625234 /nfs/dbraw/zinc/62/52/34/570625234.db2.gz UXMOTOANOZQREW-UHFFFAOYSA-N 0 1 386.524 2.266 40 0 GEABMN O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000222365317 570726784 /nfs/dbraw/zinc/72/67/84/570726784.db2.gz XVFDNPQFWIJIKA-YWNPBTLJSA-N 0 1 387.439 2.113 40 0 GEABMN O[C@@H](COCCOc1ccc(F)cc1)CN1CCN(Cc2ccccc2)CC1 ZINC000041690297 570900071 /nfs/dbraw/zinc/90/00/71/570900071.db2.gz HUOSSUYGKRWQHT-OAQYLSRUSA-N 0 1 388.483 2.400 40 0 GEABMN CN1CCN(C[C@H]2CC3(CCN(C(=O)/C=C/c4cccs4)CC3)O2)CC1 ZINC000306133710 570940855 /nfs/dbraw/zinc/94/08/55/570940855.db2.gz MTFWNCHORGYXEY-LAQIPUCWSA-N 0 1 375.538 2.159 40 0 GEABMN COc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cnn(C)c4)C2)OC3)cc1 ZINC000306133144 570941090 /nfs/dbraw/zinc/94/10/90/570941090.db2.gz MDFRMUVUGRGTSK-NRFANRHFSA-N 0 1 379.464 2.467 40 0 GEABMN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccn3)C[C@@H]1C2 ZINC000306139156 570943688 /nfs/dbraw/zinc/94/36/88/570943688.db2.gz SQTAHOABWUGVBE-LSDHHAIUSA-N 0 1 392.438 2.369 40 0 GEABMN COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccnc2)cc1 ZINC000004269965 570968193 /nfs/dbraw/zinc/96/81/93/570968193.db2.gz MHTCNOGUVVVRHH-CPUCHLNUSA-N 0 1 395.337 2.194 40 0 GEABMN O=C(c1cccnc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019337350 570976529 /nfs/dbraw/zinc/97/65/29/570976529.db2.gz NDNFPZSAEYIUTL-MRXNPFEDSA-N 0 1 393.491 2.095 40 0 GEABMN COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2)nc(C)n1 ZINC000008623052 291115584 /nfs/dbraw/zinc/11/55/84/291115584.db2.gz IPPKHHUUGOZRLX-OTWHNJEPSA-N 0 1 380.492 2.392 40 0 biogenic,in-vitro GEABMN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nc(C)n1 ZINC000008623052 291115585 /nfs/dbraw/zinc/11/55/85/291115585.db2.gz IPPKHHUUGOZRLX-OTWHNJEPSA-N 0 1 380.492 2.392 40 0 biogenic,in-vitro GEABMN O=S(=O)(NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)c1ccccc1 ZINC000306124062 532776791 /nfs/dbraw/zinc/77/67/91/532776791.db2.gz BEOUVKOSHMZLNJ-BMGDILEWSA-N 0 1 378.519 2.173 40 0 GEABMN COc1cccc(C2(O)CCN(CCNC(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000012291035 221175049 /nfs/dbraw/zinc/17/50/49/221175049.db2.gz VJUJBRNNSRUXHU-UHFFFAOYSA-N 0 1 386.467 2.477 40 0 GEABMN O=C1C[C@@H](N2CCN(CCc3cccs3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000023375549 221595283 /nfs/dbraw/zinc/59/52/83/221595283.db2.gz NDWYHLMQVXBBLH-GOSISDBHSA-N 0 1 387.480 2.379 40 0 GEABMN CCOC(=O)c1ccc(C(=O)Cn2nc(N)n(Nc3ccncc3)c2=S)cc1 ZINC000028535038 221678028 /nfs/dbraw/zinc/67/80/28/221678028.db2.gz AYZPNUGUULWRJG-UHFFFAOYSA-N 0 1 398.448 2.326 40 0 GEABMN CCN1CCN([C@H](c2nnnn2Cc2ccco2)c2ccc(OC)cc2)CC1 ZINC000035311169 221815733 /nfs/dbraw/zinc/81/57/33/221815733.db2.gz PVDBKLVPDGPXHK-IBGZPJMESA-N 0 1 382.468 2.050 40 0 GEABMN COC(=O)C1C(CN2C[C@@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731154 222036625 /nfs/dbraw/zinc/03/66/25/222036625.db2.gz UBQYGTTXFMGIJO-NJSLBKSFSA-N 0 1 387.480 2.454 40 0 GEABMN COC(=O)C1=C(CN2C[C@@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731154 222036628 /nfs/dbraw/zinc/03/66/28/222036628.db2.gz UBQYGTTXFMGIJO-NJSLBKSFSA-N 0 1 387.480 2.454 40 0 GEABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)n[nH]1 ZINC000072371629 222242380 /nfs/dbraw/zinc/24/23/80/222242380.db2.gz XJCQFEMADBAONL-HNNXBMFYSA-N 0 1 395.463 2.403 40 0 GEABMN Cc1cccc(CS(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCN(C)C3)c1 ZINC000072374005 222243202 /nfs/dbraw/zinc/24/32/02/222243202.db2.gz NRJGFZVNFHOFEP-KRWDZBQOSA-N 0 1 389.525 2.089 40 0 GEABMN O=S(=O)(C1CC1)N1CCC2(C[C@H](N3CCOCC3)c3ccccc32)CC1 ZINC000096079230 222377003 /nfs/dbraw/zinc/37/70/03/222377003.db2.gz BSEKVHIWWCBGQJ-IBGZPJMESA-N 0 1 376.522 2.289 40 0 GEABMN Cn1nc(CN2CCCC2)c2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CC2 ZINC000096084184 222379054 /nfs/dbraw/zinc/37/90/54/222379054.db2.gz FJQSOENXKLCBFQ-UHFFFAOYSA-N 0 1 396.463 2.041 40 0 GEABMN CC(=O)N1CCC(C2CCN([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)CC1 ZINC000096900171 222429517 /nfs/dbraw/zinc/42/95/17/222429517.db2.gz RGSZYXXCQVRVOJ-FQEVSTJZSA-N 0 1 383.492 2.289 40 0 GEABMN CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)CC1 ZINC000035426216 560080753 /nfs/dbraw/zinc/08/07/53/560080753.db2.gz GRTFLUNPUUCROP-KRWDZBQOSA-N 0 1 384.484 2.345 40 0 biogenic,in-vitro GEABMN CCc1n[nH]c(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)n1 ZINC000019962727 570233751 /nfs/dbraw/zinc/23/37/51/570233751.db2.gz DFDIHBZSOCGURS-UHFFFAOYSA-N 0 1 390.382 2.223 40 0 GEABMN CCc1nc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)n[nH]1 ZINC000019962727 570233754 /nfs/dbraw/zinc/23/37/54/570233754.db2.gz DFDIHBZSOCGURS-UHFFFAOYSA-N 0 1 390.382 2.223 40 0 GEABMN C[N@@H+](Cc1ccc(OCCCO)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585270516 570239441 /nfs/dbraw/zinc/23/94/41/570239441.db2.gz YGSGGPPJNAIUBB-OAQYLSRUSA-N 0 1 389.471 2.055 40 0 GEABMN O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000033920333 570424804 /nfs/dbraw/zinc/42/48/04/570424804.db2.gz XIRZRIMQXCVAIQ-OZQHCQBDSA-N 0 1 391.402 2.257 40 0 GEABMN COc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 ZINC000224511085 570515932 /nfs/dbraw/zinc/51/59/32/570515932.db2.gz ZWNQGDXOXRRKSQ-UHFFFAOYSA-N 0 1 398.510 2.052 40 0 GEABMN COc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225401691 570570431 /nfs/dbraw/zinc/57/04/31/570570431.db2.gz ZOODVHUOVWAGPA-UHFFFAOYSA-N 0 1 398.510 2.052 40 0 GEABMN Cc1cnccc1CN1C(C)=CC(=C2C(=O)NC(=O)NC2=O)C=C1C(F)(F)F ZINC000584906301 570629544 /nfs/dbraw/zinc/62/95/44/570629544.db2.gz XLACDAHMZIBUQP-UHFFFAOYSA-N 0 1 392.337 2.218 40 0 GEABMN C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000257229323 570764720 /nfs/dbraw/zinc/76/47/20/570764720.db2.gz FXQFTCOQCYFHFX-OKILXGFUSA-N 0 1 376.501 2.411 40 0 GEABMN Cc1cnc2c(C(=O)N3CC[C@@H](c4[nH]ncc4-c4ccnc(N)c4)C3)cnn2c1 ZINC000257231361 570765451 /nfs/dbraw/zinc/76/54/51/570765451.db2.gz GGISXGBNGUNQMZ-CQSZACIVSA-N 0 1 388.435 2.035 40 0 GEABMN O=C(COc1ccccn1)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCCCC2)C1 ZINC000257281735 570775640 /nfs/dbraw/zinc/77/56/40/570775640.db2.gz OQTNIZWBMJALLJ-INIZCTEOSA-N 0 1 397.479 2.216 40 0 GEABMN C=C1[NH+]=C(SCC(=O)[O-])N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000033690290 570910726 /nfs/dbraw/zinc/91/07/26/570910726.db2.gz GQSKQCSQQCSCNC-MRXNPFEDSA-N 0 1 394.449 2.359 40 0 GEABMN Cc1nc(C(=O)N2CCC3(CO[C@H](CN(C)Cc4cccnc4)C3)CC2)c[nH]1 ZINC000585104488 570933018 /nfs/dbraw/zinc/93/30/18/570933018.db2.gz PDQRRZGBTDXCPM-SFHVURJKSA-N 0 1 383.496 2.256 40 0 GEABMN COc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cnn(C)c4)C2)OC3)c1 ZINC000306139952 570944320 /nfs/dbraw/zinc/94/43/20/570944320.db2.gz UFDDWFHAPZPWDL-OAQYLSRUSA-N 0 1 379.464 2.467 40 0 GEABMN Cc1cc2nc(CCNC(=O)c3ccnc(N4CCN(C)CC4)c3)[nH]c2cc1C ZINC000019662434 571026249 /nfs/dbraw/zinc/02/62/49/571026249.db2.gz PGEMCPZEFZPRRB-UHFFFAOYSA-N 0 1 392.507 2.299 40 0 GEABMN O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1)c1cccc(F)c1 ZINC000257283669 222769675 /nfs/dbraw/zinc/76/96/75/222769675.db2.gz OZHLFZCDONPLBC-CGXNFDGLSA-N 0 1 399.466 2.386 40 0 GEABMN N[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242539071 532519343 /nfs/dbraw/zinc/51/93/43/532519343.db2.gz JNNYBHRAKXTHCD-ARFHVFGLSA-N 0 1 382.279 2.079 40 0 GEABMN O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000225511387 212114849 /nfs/dbraw/zinc/11/48/49/212114849.db2.gz MZYUTEGEJSUYHH-LBPRGKRZSA-N 0 1 379.386 2.277 40 0 GEABMN Cc1ccc(C2(CN3CCC(NC(=O)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000012337269 221184059 /nfs/dbraw/zinc/18/40/59/221184059.db2.gz RDUIPIVPECFRPK-KRWDZBQOSA-N 0 1 390.549 2.042 40 0 GEABMN CNc1ncccc1CN1CCC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019018427 221394014 /nfs/dbraw/zinc/39/40/14/221394014.db2.gz ZVPLFLDILBAYFH-KRWDZBQOSA-N 0 1 380.496 2.198 40 0 GEABMN CN(C)S(=O)(=O)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371322 222242210 /nfs/dbraw/zinc/24/22/10/222242210.db2.gz XALSVMIFQCMVDM-CYBMUJFWSA-N 0 1 398.916 2.280 40 0 GEABMN COc1cc(C)ccc1CN1CCc2nnc([C@H]3CCCN3C(C)=O)n2CC1 ZINC000072372763 222242553 /nfs/dbraw/zinc/24/25/53/222242553.db2.gz HTJXJRKKKHXCEF-GOSISDBHSA-N 0 1 383.496 2.337 40 0 GEABMN O=C(c1cc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380598 222244254 /nfs/dbraw/zinc/24/42/54/222244254.db2.gz ZUZNGBLAJIFFND-HNNXBMFYSA-N 0 1 386.427 2.041 40 0 GEABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000072380114 222244726 /nfs/dbraw/zinc/24/47/26/222244726.db2.gz XRIJHFBIJFVODK-KRWDZBQOSA-N 0 1 379.508 2.455 40 0 GEABMN O=C(c1cc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380599 222244750 /nfs/dbraw/zinc/24/47/50/222244750.db2.gz ZUZNGBLAJIFFND-OAHLLOKOSA-N 0 1 386.427 2.041 40 0 GEABMN CN(C)CC[N@@H+](C)CC[C@H]1CN(C(=O)C2CCCCC2)CC[C@H]1CC(=O)[O-] ZINC000020462940 560093178 /nfs/dbraw/zinc/09/31/78/560093178.db2.gz VHTDFUPENLXTDS-OALUTQOASA-N 0 1 381.561 2.390 40 0 biogenic,in-vitro GEABMN CN(CC[C@H]1CN(C(=O)C2CCCCC2)CC[C@H]1CC(=O)[O-])CC[NH+](C)C ZINC000020462940 560093179 /nfs/dbraw/zinc/09/31/79/560093179.db2.gz VHTDFUPENLXTDS-OALUTQOASA-N 0 1 381.561 2.390 40 0 biogenic,in-vitro GEABMN CN([C@@H]1CCCN(Cc2cnn(C)c2)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000019749687 570215164 /nfs/dbraw/zinc/21/51/64/570215164.db2.gz YAUWTGYJIGENIR-QGZVFWFLSA-N 0 1 380.489 2.234 40 0 GEABMN Cc1nn2c(nnc3c(=O)n(-c4nnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000019821562 570222929 /nfs/dbraw/zinc/22/29/29/570222929.db2.gz BHEHMIATUCIUHN-UHFFFAOYSA-N 0 1 378.783 2.175 40 0 GEABMN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000223290379 570456377 /nfs/dbraw/zinc/45/63/77/570456377.db2.gz GOQPJVCFVVEWIX-IZZDOVSWSA-N 0 1 376.434 2.264 40 0 GEABMN COc1ccc(F)cc1S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000223691075 570479281 /nfs/dbraw/zinc/47/92/81/570479281.db2.gz WQHVUARXKJUAKJ-UHFFFAOYSA-N 0 1 388.442 2.031 40 0 GEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)s1 ZINC000224646479 570522457 /nfs/dbraw/zinc/52/24/57/570522457.db2.gz YMDBAZUKYNZREC-LBPRGKRZSA-N 0 1 396.494 2.386 40 0 GEABMN Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225650139 570598084 /nfs/dbraw/zinc/59/80/84/570598084.db2.gz SGVQZFAVNXCYTB-LBPRGKRZSA-N 0 1 398.510 2.187 40 0 GEABMN COc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccncc4)n[nH]3)C2=O)cc1 ZINC000256055523 570758114 /nfs/dbraw/zinc/75/81/14/570758114.db2.gz JQGPWDSMEMONPX-AWEZNQCLSA-N 0 1 381.417 2.300 40 0 GEABMN CC(C)(C)OC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@H]2O)N1C(=O)c1cnc[nH]1 ZINC000257214548 570762209 /nfs/dbraw/zinc/76/22/09/570762209.db2.gz CMKAHCZTWUOSFW-KHTYJDQRSA-N 0 1 392.500 2.459 40 0 GEABMN COCc1c(C)onc1C(=O)N1CC[C@H](c2[nH]ncc2-c2ccnc(N)c2)C1 ZINC000257220354 570762735 /nfs/dbraw/zinc/76/27/35/570762735.db2.gz DKMQMPFWEKTZLS-ZDUSSCGKSA-N 0 1 382.424 2.126 40 0 GEABMN COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000257257821 570771453 /nfs/dbraw/zinc/77/14/53/570771453.db2.gz KRFGYKYXIXEJBH-QFIPXVFZSA-N 0 1 399.491 2.285 40 0 GEABMN COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000257257821 570771455 /nfs/dbraw/zinc/77/14/55/570771455.db2.gz KRFGYKYXIXEJBH-QFIPXVFZSA-N 0 1 399.491 2.285 40 0 GEABMN CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000257274512 570774031 /nfs/dbraw/zinc/77/40/31/570774031.db2.gz NLJFLPRCCYXJFU-GOSISDBHSA-N 0 1 380.492 2.456 40 0 GEABMN Cn1ccnc1-c1cnc(C[C@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)cn1 ZINC000257274293 570774039 /nfs/dbraw/zinc/77/40/39/570774039.db2.gz NKKAAEZDCHURNG-CQSZACIVSA-N 0 1 387.447 2.458 40 0 GEABMN Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257283235 570775680 /nfs/dbraw/zinc/77/56/80/570775680.db2.gz OXJYAMRWUZKMPK-JYBIWHBTSA-N 0 1 385.464 2.148 40 0 GEABMN O=C(NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[nH]c1=O)O2)c1n[nH]c2ccccc21 ZINC000257298484 570777930 /nfs/dbraw/zinc/77/79/30/570777930.db2.gz RLWHTLSFBWQCRE-ODXCJYRJSA-N 0 1 395.419 2.373 40 0 GEABMN Cn1ccnc1C(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1 ZINC000257327468 570782015 /nfs/dbraw/zinc/78/20/15/570782015.db2.gz XBLMDGYUVPOGPH-OAHLLOKOSA-N 0 1 384.484 2.179 40 0 GEABMN CC(=O)N[C@]12CN(Cc3cccnc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257327625 570782451 /nfs/dbraw/zinc/78/24/51/570782451.db2.gz XCBWJFOKMMSFSS-DNVJHFABSA-N 0 1 392.503 2.382 40 0 GEABMN CCN1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccccc2)CC1 ZINC000019528060 570928817 /nfs/dbraw/zinc/92/88/17/570928817.db2.gz VJUMZLSOAVGTPF-NRFANRHFSA-N 0 1 392.507 2.457 40 0 GEABMN O=C(NCc1ccccc1)C1=NO[C@]2(C1)COCC[C@@H]2NCc1cccs1 ZINC000306122959 570935386 /nfs/dbraw/zinc/93/53/86/570935386.db2.gz AAPTWYCFAROCMW-AZUAARDMSA-N 0 1 385.489 2.458 40 0 GEABMN O=C(NCc1ccccc1)C1=NO[C@@]2(C1)COCC[C@H]2NCc1cccs1 ZINC000306122961 570935399 /nfs/dbraw/zinc/93/53/99/570935399.db2.gz AAPTWYCFAROCMW-QUCCMNQESA-N 0 1 385.489 2.458 40 0 GEABMN CN1Cc2cccc(-c3cnc4n3CCN(C(=O)c3csnn3)CC4)c2C1 ZINC000585111126 570945237 /nfs/dbraw/zinc/94/52/37/570945237.db2.gz FNLVGHOLWRSLQC-UHFFFAOYSA-N 0 1 380.477 2.046 40 0 GEABMN O=C(CCc1ccncc1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375644 570981971 /nfs/dbraw/zinc/98/19/71/570981971.db2.gz GRPHVOKVBWCUIL-INIZCTEOSA-N 0 1 398.488 2.275 40 0 GEABMN CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)c2cc(C(C)C)[nH]n2)C3)CC1 ZINC000019451913 570985543 /nfs/dbraw/zinc/98/55/43/570985543.db2.gz UYGDXKXFOLGSOX-UHFFFAOYSA-N 0 1 396.495 2.248 40 0 GEABMN CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000019500317 570992032 /nfs/dbraw/zinc/99/20/32/570992032.db2.gz XANIMAYPTQTDAN-HXUWFJFHSA-N 0 1 397.567 2.482 40 0 GEABMN COc1ccc(OC)c(CC(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)c1 ZINC000019551374 571000884 /nfs/dbraw/zinc/00/08/84/571000884.db2.gz HJPPZVJFIZNTPF-LJQANCHMSA-N 0 1 396.491 2.436 40 0 GEABMN COc1ccc(CN2C[C@@H](CO)[C@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000019561211 571005988 /nfs/dbraw/zinc/00/59/88/571005988.db2.gz SQUHVHSBQACZSN-FDDCHVKYSA-N 0 1 396.487 2.243 40 0 GEABMN O=C(Cc1ccc2nc[nH]c2c1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000019662474 571026261 /nfs/dbraw/zinc/02/62/61/571026261.db2.gz PAEZNKCLOFYIRH-UHFFFAOYSA-N 0 1 398.488 2.206 40 0 GEABMN CCN(CC)C(=O)CN1CCC(c2cc(-c3cnc(N)nc3)cc(C)n2)CC1 ZINC000019691950 571029543 /nfs/dbraw/zinc/02/95/43/571029543.db2.gz FIBLRAISYJYHMQ-UHFFFAOYSA-N 0 1 382.512 2.477 40 0 GEABMN