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1438 SMILES Strings for Lysine-specific histone demethylase 1A

Compound NameSMILES String
BDBM101302 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F |r|
BDBM151608 Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
BDBM151609 C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc2ccccc12
BDBM151612 C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1F
BDBM151610 C\C(=N/NC(=O)c1ccccc1)c1cc(Cl)ccc1O
BDBM151606 C\C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1O
BDBM151607 CCN(CC)S(=O)(=O)c1ccc(F)c(c1)C(=O)NNC(=O)c1ccc(C)cc1
BDBM151611 C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
BDBM151605 Oc1ccc(cc1)C(=O)N\N=C\c1ccccc1O
BDBM151614 C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccnc(Cl)c1
BDBM151615 C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1Cl
BDBM151616 C\C(=N/NC(=O)c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1O
BDBM151617 CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
BDBM151618 C\C(=N/NC(=O)c1cnc(Cl)c(Br)c1)c1cc(Cl)ccc1O
BDBM151619 C\C(=N/NC(=O)c1cncc(Cl)c1)c1cc(Cl)ccc1O
BDBM151620 CC\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
BDBM151613 C\C(=N/NC(=O)c1ccccc1)c1c(O)cccc1O
BDBM151621 C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccnc1
BDBM151622 C\C(=N/NC(=O)c1cccc(c1)N1CCOCC1)c1cc(Cl)ccc1O
BDBM151623 C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
BDBM151624 C\C(=N/NC(=O)c1cccc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
BDBM153458 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1Cl |r|
BDBM153459 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1F |r|
BDBM153460 COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1 |r|
BDBM153461 C(N[C@H]1CC1c1ccccc1)c1cccc2OCCCOc12 |r|
BDBM153437 COc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
BDBM153438 COc1cncc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153439 COc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153440 C(N[C@H]1CC1c1ccccc1)C1C=Nc2ccccc12 |r,c:14|
BDBM153416 C(N[C@H]1CC1c1ccccc1)c1ccccn1 |r|
BDBM153417 C(N[C@H]1CC1c1ccccc1)c1cccnc1 |r|
BDBM153418 C(N[C@H]1CC1c1ccccc1)c1ccncc1 |r|
BDBM153419 Cc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM153420 C(N[C@H]1CC1c1ccccc1)c1nccs1 |r|
BDBM153441 N#Cc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153442 COc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153443 Nc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153444 Clc1ncccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153462 C(N[C@H]1CC1c1ccccc1)c1ccc2OCCCOc2c1 |r|
BDBM153463 CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1 |r|
BDBM153464 COc1ccc(CN[C@H]2CC2c2ccccc2)c(C)c1C |r|
BDBM153465 COc1cc(C)c(CN[C@H]2CC2c2ccccc2)cc1C |r|
BDBM153421 C(N[C@H]1CC1c1ccccc1)c1cccs1 |r|
BDBM153422 [Cl-].Fc1cccc(C[NH2+][C@H]2CC2c2ccccc2)c1 |r|
BDBM153423 Fc1ccccc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153424 COc1cccc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153445 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1OC |r|
BDBM153446 C(N[C@H]1CC1c1ccccc1)c1ccc2OCCc2c1 |r|
BDBM153425 FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
BDBM153426 Clc1ccc(CN[C@H]2CC2c2ccccc2)cn1 |r|
BDBM153447 C(N[C@H]1CC1c1ccccc1)c1ccc2OCOc2c1 |r|
BDBM153427 Cc1ccnc(CN[C@H]2CC2c2ccccc2)c1 |r|
BDBM153428 COc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM153429 Oc1cccnc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153430 Brc1cccc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM153448 C(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
BDBM153449 COc1cc(F)c(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
BDBM153431 COc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
BDBM153450 FC(F)(F)Oc1ccc(CN[C@H]2CC2c2ccccc2)cc1 |r|
BDBM153451 COc1ccc(F)cc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153432 Fc1ccc(CN[C@H]2CC2c2ccc(Oc3ccccc3)cc2)cc1 |r|
BDBM153452 COc1ccc(CN[C@H]2CC2c2ccccc2)c(F)c1 |r|
BDBM153453 COc1ccc(CN[C@H]2CC2c2ccccc2)c2ccccc12 |r|
BDBM153433 C(N[C@H]1CC1c1ccccc1)c1ccc2ccccc2n1 |r|
BDBM153434 FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)nc1 |r|
BDBM153454 COc1cccc(F)c1CN[C@H]1CC1c1ccccc1 |r|
BDBM153455 COc1ccc2ccccc2c1CN[C@H]1CC1c1ccccc1 |r|
BDBM153413 [Cl-].Fc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
BDBM153435 Fc1cccnc1CN[C@H]1CC1c1ccccc1 |r|
BDBM153436 C(N[C@H]1CC1c1ccccc1)c1cnc2ccccc2c1 |r|
BDBM153456 COc1ccc2c(OC)ccc(CN[C@H]3CC3c3ccccc3)c2c1 |r|
BDBM153457 COc1ccc(CN[C@H]2CC2c2ccccc2)cc1C |r|
BDBM153414 [Cl-].N#Cc1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
BDBM153415 [Cl-].FC(F)(F)c1ccc(C[NH2+][C@H]2CC2c2ccccc2)cc1 |r|
BDBM153466 COc1cc(F)c(CN[C@H]2CC2c2ccccc2)cc1OC |r|
BDBM153467 COc1cc(CN[C@H]2CC2c2ccccc2)cc(Cl)c1OC |r|
BDBM153468 COc1ccc(CN[C@H]2CC2c2ccccc2)c(Cl)c1OC |r|
BDBM153469 C(N[C@H]1CC1c1ccccc1)c1ccc2[nH]ccc2c1 |r|
BDBM153470 C(N[C@H]1CC1c1ccc(OCc2ccccc2)cc1)c1ccccn1 |r|
BDBM153471 COc1ccccc1CN[C@H]1CC1c1ccc(OCc2ccccc2)cc1 |r|
BDBM153472 COc1ccc(cc1)C(C)N[C@H]1CC1c1ccccc1 |r|
BDBM153473 COc1ccc(cc1OC)C(C)N[C@H]1CC1c1ccccc1 |r|
BDBM153474 CC(N[C@H]1CC1c1ccccc1)c1ccc2OCCOc2c1 |r|
BDBM153475 COc1ccc(CC(C)N[C@H]2CC2c2ccccc2)cc1OC |r|
BDBM153476 Cc1noc(CN[C@H]2CC2c2ccccc2)n1 |r|
BDBM153271 Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(cc2)-c2ccccc2)cc1Cl
BDBM92879 NC1CC1c1cc(F)ccc1-c1ccccc1
BDBM92880 NC1CC1c1cc(Cl)ccc1OCc1ccccc1
BDBM92881 CC(C)COc1c(Cl)cc(Cl)cc1C1CC1N
BDBM92882 NC1CC1c1ccc(OCc2ccccc2)cc1OCc1ccccc1
BDBM92884 NC1CC1c1ccc(OCC2CCCCC2)cc1OCC1CCCCC1
BDBM92885 NCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
BDBM92886 COc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
BDBM92883 CC(C)COc1ccc(C2CC2N)c(OCC(C)C)c1
BDBM101253 Fc1ccc(NC(=O)CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
BDBM101250 CC(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
BDBM101251 CC(C)(C)NC(=O)CN[C@H]1CC1c1ccccc1 |r|
BDBM101252 O=C(CN[C@H]1CC1c1ccccc1)N1CCOCC1 |r|
BDBM101292 COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101287 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
BDBM101246 O=C(CN[C@H]1C[C@@H]1c1ccccc1)NC1CC1 |r|
BDBM101278 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)[N+]#[C-])cc1 |r|
BDBM101280 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1 |r|
BDBM101283 COc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101256 O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1 |r|
BDBM101300 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(Cl)c1 |r|
BDBM101257 CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101303 COc1ncccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101291 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM101284 COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101295 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
BDBM101254 CC(N[C@H]1C[C@@H]1c1ccccc1)C(N)=O |r|
BDBM101272 O=C(CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)NC1CC1 |r|
BDBM113728 CNNCCc1ccccc1
BDBM113729 CN(C)NCCc1ccccc1
BDBM113730 NNCCCc1ccccc1
BDBM113731 CNNCCCc1ccccc1
BDBM113732 COc1ccc(CCCNN)cc1
BDBM113733 CNNCCCc1ccc(OC)cc1
BDBM113734 COc1ccc(CCCNNC(C)=O)cc1
BDBM113735 NNCCCCc1ccccc1
BDBM113736 NNCCOc1ccccc1
BDBM113737 NNCCCOc1ccccc1
BDBM113738 NNCCCN1CCOCC1
BDBM113739 NNCCc1ccc(NC(=O)c2ccccc2)cc1
BDBM113740 NNCCc1ccc(NC(=O)Cc2ccccc2)cc1
BDBM113741 NNCCc1ccc(NC(=O)CCc2ccccc2)cc1
BDBM113742 NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1
BDBM113743 NNCCc1ccc(NC(=O)CCCCc2ccccc2)cc1
BDBM113744 NNCCc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1
BDBM113745 NNCCc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1
BDBM113746 COc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1
BDBM113747 NNCCc1ccc(NC(=O)CCCc2ccc(cc2)[N+]([O-])=O)cc1
BDBM113748 CS(=O)(=O)Oc1ccccc1CCC(=O)Nc1ccc(CCNN)cc1
BDBM113749 CS(=O)(=O)Oc1cccc(CCC(=O)Nc2ccc(CCNN)cc2)c1
BDBM113750 NNCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1
BDBM113752 NNCCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
BDBM113753 NNCCc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1
BDBM113754 CN(C(=O)CCCc1ccccc1)c1ccc(CCNN)cc1
BDBM113755 NNCCc1ccc(cc1)N(Cc1ccccc1)C(=O)CCCc1ccccc1
BDBM113751 NNCCCc1ccc(OCc2ccccc2)cc1
BDBM124965 NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccc(Br)cc2)cc1
BDBM124966 CN(C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(cc1)C1CC1N
BDBM124967 NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)NCc2ccccc2)cc1
BDBM124968 NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)COc2ccccc2)cc1
BDBM124969 NC1CC1c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2)cc1
BDBM101275 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 |r|
BDBM101274 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 |r|
BDBM101282 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r|
BDBM101289 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
BDBM101299 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccncc1 |r|
BDBM101259 CN(C)[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101277 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Br)c2)cc1 |r|
BDBM101296 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
BDBM101267 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101268 CCN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101266 CC(C)(C)NC(=O)CN(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101304 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(CCc2ccccc2)cc1 |r|
BDBM101297 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(F)c1 |r|
BDBM101261 N[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101301 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(Cl)cc1 |r|
BDBM101270 O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(CC1)c1ccccc1 |r|
BDBM101290 CN1CCN(CC1)C(=O)CN[C@H]1CC1c1ccc(cc1)-c1cc(Cl)cc(Cl)c1 |r|
BDBM101260 CN(C)[C@@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101247 NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM283231 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
BDBM101262 O=C(CN[C@H]1C[C@@H]1c1ccccc1)N[C@H]1CCNC1 |r|
BDBM101294 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
BDBM101285 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C#N |r|
BDBM101281 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1 |r|
BDBM101269 O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
BDBM101255 COC(=O)C(C)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM101249 O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC#C |r|
BDBM101276 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
BDBM101286 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
BDBM101298 COc1cc(F)ccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM101273 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 |r|
BDBM101248 CC(N[C@H]1C[C@@H]1c1ccccc1)C(=O)NC1CC1 |r|
BDBM101293 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1F |r|
BDBM101288 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM101305 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r|
BDBM101271 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r|
BDBM101279 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCCc2ccccc2)cc1 |r|
BDBM270464 O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270465 CC(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270466 CCCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM50105417 NNCCc1ccccc1
BDBM243411 NC1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r,wU:10.12,wD:8.8,(10.25,-.24,;8.76,-.64,;8.36,-2.13,;6.87,-2.53,;5.78,-1.44,;6.18,.05,;7.67,.45,;4.3,-1.84,;3.21,-.75,;2.12,-1.84,;1.72,-.35,;.39,.42,;-1.08,-.05,;-1.98,1.19,;-1.08,2.44,;.39,1.96,;-3.52,1.19,;-4.29,2.53,;-4.29,-.14,;-5.83,-.14,;-6.6,1.19,;-8.14,1.19,;-8.91,-.14,;-10.25,.63,;-10.25,-.91,;-8.14,-1.48,;-6.6,-1.48,)|
BDBM50113851 NC1CC1c1ccccc1
BDBM50185388 NC(NC(=N)NCCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NC(=N)NCCC(c1ccccc1)c1ccccc1 |w:21.23,37.38|
BDBM50236898 N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50240772 N[C@@H]1C[C@H]1c1ccccc1 |r|
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BDBM50346876 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H]-1-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
BDBM50346877 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-[#6@@H]-1-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
BDBM50346878 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-[#6@@H]-1-[#7](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
BDBM50346587 COc1ccc(cc1)[C@@H]1C[C@H]1N |r|
BDBM50346588 N[C@@H]1C[C@H]1c1ccc(F)cc1 |r|
BDBM50346589 N[C@@H]1C[C@H]1c1ccc(Br)cc1 |r|
BDBM50346590 N[C@@H]1C[C@H]1c1cccc(Br)c1 |r|
BDBM50346591 N[C@@H]1C[C@H]1c1ccc(cc1)-c1ccccc1 |r|
BDBM50346592 N[C@@H]1C[C@H]1c1cccc(c1)-c1ccccc1 |r|
BDBM50346593 N[C@@H]1C[C@H]1c1ccccc1-c1ccccc1 |r|
BDBM50346594 N[C@@H]1C[C@H]1c1ccccc1Br |r|
BDBM50346582 NC1CC1c1cccc2ccccc12
BDBM50346583 O=C(CNC1CC1c1ccccc1)NC1CC1
BDBM50346585 NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
BDBM50346863 NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
BDBM50361478 CC(NC1CC1c1ccccc1)c1ccc2OCCOc2c1
BDBM50361479 COc1ccc(cc1)C1CC1N
BDBM50361481 CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F
BDBM50361470 CCNCCCCNCCCCNCCCCNCCCCNC\C=C\CNCCCCNCCCCNCCCCNCCCCNCC
BDBM270468 CC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM243404 O=C(NC1CCCC1)c1csc(c1)C1CC1NC1CCOCC1
BDBM243408 O=C(NC1CCOCC1)c1csc(c1)C1CC1NC1CCC1
BDBM50398073 ONC(=N)CC(=O)Nc1ccccc1
BDBM50398074 ONC(=N)CC(=O)Nc1ccccc1O
BDBM50396013 [#6]-[#7]\[#6](-[#7]-[#6])=[#7]/[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7]-[#6])-[#7]-[#6]
BDBM50396014 N[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1 |r|
BDBM50396015 N[C@@H]1C[C@H]1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
BDBM50396021 CCNCCCCNCCCCNCCCCNCCCCNC\C=C/CNCCCCNCCCCNCCCCNCCCCNCC
BDBM270467 CCS(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM283216 COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM50441978 Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1
BDBM50441979 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
BDBM50441980 Fc1ccccc1Cn1cc(CSC(=S)N2CCNCC2)nn1
BDBM50441981 CS(=O)(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
BDBM50441982 CS(=O)(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
BDBM50441983 Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)S(C)(=O)=O)nn2)cc1
BDBM50441984 Fc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ncccn3)nn2)cc1
BDBM50441985 Fc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)c2ncccn2)nn1
BDBM50441986 Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ncccn3)nn2)cc1
BDBM50441987 Fc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ccccc3)nn2)cc1
BDBM50441988 Fc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)c2ccccc2)nn1
BDBM50441989 Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)c3ccccc3)nn2)cc1
BDBM50441990 OCCN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
BDBM50441991 OCCN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
BDBM50441992 Cc1ccc(Cn2cc(CSC(=S)N3CCN(CCO)CC3)nn2)cc1
BDBM50441993 Fc1ccccc1Cn1cc(CSC(=S)N2CCN(Cc3ccccc3)CC2)nn1
BDBM50441994 Cc1ccc(Cn2cc(CSC(=S)N3CCN(Cc4ccccc4)CC3)nn2)cc1
BDBM50441995 CCN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
BDBM50441996 CCN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
BDBM50441997 CN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2Cl)nn1
BDBM50441998 CN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
BDBM50441999 CN1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
BDBM50442000 CN1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
BDBM50442001 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(nn1)-c1cc(=O)oc2ccccc12
BDBM50442002 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CC2=CC(=O)OC2)nn1 |t:22|
BDBM50442003 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2nc3ccccc3[nH]2)nn1
BDBM50442004 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2cc(=O)[nH]c3ccccc23)nn1
BDBM50442005 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc3ccccc3c2)nn1
BDBM50442006 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CCOc2cc(=O)oc3ccccc23)nn1
BDBM50442007 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(CCc2ccc(F)cc2)nn1
BDBM50442008 Cc1ccc(CCn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1
BDBM50442009 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(nn1)-c1cccc(c1)C(F)(F)F
BDBM50442010 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(nn1)-c1ccccc1F
BDBM50442011 COc1ccc(cc1)-n1cc(CSC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)nn1
BDBM50442012 Cc1ccc(cc1)-n1cc(CSC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)nn1
BDBM50442013 COc1cc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc(OC)c1OC
BDBM50442014 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2c(F)cccc2F)nn1
BDBM50442015 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(Cl)c(Cl)c2)nn1
BDBM50442016 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(O)cc2O)nn1
BDBM50442017 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2cccc(O)c2)nn1
BDBM50442018 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1
BDBM50442019 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2O)nn1
BDBM50442020 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(O)cc2)nn1
BDBM50442021 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2Br)nn1
BDBM50442022 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2C(F)(F)F)nn1
BDBM50442023 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(cc2)C(F)(F)F)nn1
BDBM50442024 Cc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)nn1
BDBM50442025 Cc1cccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)c1
BDBM50442026 COc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OC(C)(C)C)nn2)cc1
BDBM50442027 CC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
BDBM50442028 CC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
BDBM50442029 CC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2F)nn1
BDBM50442030 CC(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
BDBM50442031 CCOC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(C)cc2)nn1
BDBM50442032 COc1cc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc(OC)c1OC
BDBM50442033 Clc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1Cl
BDBM50442034 COc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
BDBM50442035 Cc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
BDBM50442036 Clc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
BDBM50442037 Clc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)C(=O)OCc2ccccc2)nn1
BDBM50442038 Fc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1
BDBM50442039 Fc1ccccc1Cn1cc(CSC(=S)N2CCN(CC2)C(=O)OCc2ccccc2)nn1
BDBM50442040 COc1cc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc(OC)c1OC
BDBM50442041 Clc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1Cl
BDBM50442042 Fc1cccc(F)c1Cn1cc(CSC(=S)N2CCNCC2)nn1
BDBM50442043 FC(F)(F)c1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
BDBM50442044 COc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
BDBM50442045 Cc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
BDBM50442046 Clc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
BDBM50442047 Clc1ccccc1Cn1cc(CSC(=S)N2CCNCC2)nn1
BDBM50442048 Fc1ccc(Cn2cc(CSC(=S)N3CCNCC3)nn2)cc1
BDBM50442049 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(Cl)cc2)nn1
BDBM50442050 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccccc2Cl)nn1
BDBM50442051 CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2ccc(F)cc2)nn1
BDBM50442052 Clc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1
BDBM50442053 Cc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1
BDBM50442054 Fc1ccc(Cn2cc(CSC(=S)N3CCOCC3)nn2)cc1
BDBM50442055 Fc1ccccc1Cn1cc(CSC(=S)N2CCOCC2)nn1
BDBM50442056 S=C(SCc1cn(Cc2ccccc2)nn1)N1CCOCC1
BDBM50442057 Clc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1
BDBM50442058 S=C(SCc1cn(Cc2ccccc2)nn1)N1CCCCC1
BDBM50442059 Cc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1
BDBM50442060 Fc1ccc(Cn2cc(CSC(=S)N3CCCCC3)nn2)cc1
BDBM50442061 Fc1ccccc1Cn1cc(CSC(=S)N2CCCCC2)nn1
BDBM50440476 OC(CNC1CC1)COc1ccc2cc(Br)ccc2c1
BDBM50440478 OC(CNCC#C)COc1ccc2ccccc2c1
BDBM50440479 CN(CC#C)CC(O)COc1ccc2ccccc2c1
BDBM50445361 CC(=NNC(=O)c1ccccc1)c1c(O)cccc1O |w:2.2|
BDBM50445362 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1F |w:2.2|
BDBM50445363 C(N[C@@H]1C[C@H]1c1ccccc1)c1c[nH]c2ccccc12 |r|
BDBM50445364 N[C@H]1C[C@@H]1c1ccc(Oc2ccccc2)cc1 |r|
BDBM50445365 CCNCCCNC\C=C/CNCCCNCC
BDBM50445366 COc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NCC(=O)N1CCN(C)CC1 |r|
BDBM50446141 CC(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2OCCOc2c1 |r|
BDBM50446142 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6@@H]-1-[#6]-[#6@H]-1-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
BDBM50445332 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1Cl |w:2.2|
BDBM50445333 CCN(CC)c1cccc(c1)C(=O)NN=C(C)c1cccc(C)c1 |w:14.14|
BDBM50445334 Fc1ccc(cc1C(=O)NNC(=O)c1cccc(Cl)c1)S(=O)(=O)N1CCOCC1
BDBM50445335 COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
BDBM50445336 NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 |r|
BDBM50445337 NC1CC1c1ccc(OCCC(NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1
BDBM50445346 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
BDBM50445347 CN(C)S(=O)(=O)c1cccc(c1)C(=O)NN=C(C)c1cc(Cl)ccc1O |w:15.15|
BDBM50445348 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1O |w:2.2|
BDBM50446143 [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#7])=O |r|
BDBM50445339 Oc1ccccc1\C=N\NC(=O)c1cccc(Cl)c1
BDBM50445340 CC(=NNC(=O)c1ccc(O)cc1)c1ccccc1O |w:2.2|
BDBM50445341 Oc1ccc(cc1)C(=O)N\N=C\c1cc(Cl)ccc1O
BDBM50445342 Oc1ccc(cc1)C(=O)NN=Cc1ccccc1O |w:11.12|
BDBM50445343 Oc1ccccc1\C=N\NC(=O)c1ccc(Br)cc1
BDBM50445344 CC(=NNC(=O)c1ccccc1)c1cc(Cl)ccc1O |w:2.2|
BDBM50445345 CN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1 |r|
BDBM50445349 N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
BDBM50445350 CCC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:3.3|
BDBM50445351 [O-][N+](=O)c1ccc2oc(c(Cl)c(=O)c2c1)C(F)(F)F
BDBM50445352 S=C(NCCCNCCCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
BDBM50445353 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccc2ccccc12 |w:2.2|
BDBM50445354 NC1CC1c1ccc(OCCCC(=O)NCc2ccccc2)cc1
BDBM50445355 COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(C=N)cc1
BDBM50445356 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cccnc1 |w:2.2|
BDBM50445357 CC(=NNC(=O)c1cncc(Cl)c1)c1cc(Cl)ccc1O |w:2.2|
BDBM50445358 CC(=NNC(=O)c1cnc(Cl)c(Br)c1)c1cc(Cl)ccc1O |w:2.2|
BDBM50445359 CC(=NNC(=O)c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1O |w:2.2|
BDBM50445360 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccnc(Cl)c1 |w:2.2|
BDBM50440475 OC(CNCC#C)COc1ccc(cc1)-c1ccccc1
BDBM50440477 CN(CC#C)CC(O)COc1ccc2cc(Br)ccc2c1
BDBM50440480 CN(CCCOc1cccc(NC(=O)c2ccccc2)c1)CC#C
BDBM50440481 O=C(Nc1cccc(OCCCNCC#C)c1)c1ccccc1
BDBM50440482 CC#CCNCCCC[C@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C |r|
BDBM50440483 CC(C)(C)OC(=O)[C@H](CCCCNCC#C)NC(=O)c1ccccc1 |r|
BDBM105167 COc1ncc(cc1N)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM50075478 Clc1ccccc1Cn1cc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)nn1
BDBM50065382 Cl.N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1
BDBM50065385 Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
BDBM50080872 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
BDBM50067551 C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O |r|
BDBM50067545 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123|
BDBM50067546 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50067547 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:84|
BDBM50067548 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:85|
BDBM50067549 C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
BDBM50067555 C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|
BDBM50067587 C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
BDBM50067543 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50067544 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:122|
BDBM50023745 Cl.CC[C@@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50023731 Cl.N[C@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
BDBM50023732 OC(=O)C(F)(F)F.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50023733 Cl.N[C@@]1(C[C@H]1c1ccccc1)c1ccccc1 |r|
BDBM50023734 Cl.C[C@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50023735 Cl.N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1 |r|
BDBM50023740 Cl.CC[C@@]1(N)C[C@H]1c1ccccc1 |r|
BDBM50023742 Cl.N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1 |r|
BDBM50023743 Cl.CCC[C@@]1(N)C[C@H]1c1ccccc1 |r|
BDBM50023744 Cl.CC[C@]1(N)C[C@@H]1c1ccccc1 |r|
BDBM50023746 Cl.C[C@@]1(N)C[C@H]1c1ccccc1 |r|
BDBM50023747 Cl.N[C@]1(C[C@@H]1c1ccccc1)c1ccccc1 |r|
BDBM50023748 Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1 |r|
BDBM50023755 N[C@@]1(CO)C[C@H]1c1ccccc1 |r|
BDBM50023756 N[C@]1(C[C@H]1c1ccccc1)C(O)=O |r|
BDBM50023757 CCOC(=O)[C@]1(N)C[C@H]1c1ccccc1 |r|
BDBM50075491 Clc1ccc(Nc2nc(SCC#C)nc(-c3ccc(Br)cc3)c2C#N)cc1
BDBM50075492 FC(F)(F)c1cccc(Nc2nc(SCC#C)nc(-c3ccc(Cl)cc3)c2C#N)c1
BDBM50075493 COc1ccc(Nc2nc(SCC#C)nc(-c3ccc(Cl)cc3)c2C#N)cc1
BDBM50075495 Cc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
BDBM50075496 Clc1ccccc1Nc1nc(SCC#C)nc(-c2ccccc2)c1C#N
BDBM50075498 Fc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
BDBM50075499 Clc1cccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)c1
BDBM50075501 FC(F)(F)c1cccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)c1
BDBM50075503 NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Br)cc2)c1C#N
BDBM50075504 NC(=O)NNc1nc(SCC#C)nc(-c2ccc(cc2)[N+]([O-])=O)c1C#N
BDBM50075558 NC(=O)NNc1nc(SCC#C)nc(-c2cccc(Cl)c2)c1C#N
BDBM50075559 CC(C)Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=O)c1C#N
BDBM50075560 Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=O)c1C#N
BDBM50075561 NC(=O)NNc1nc(SCC#C)nc(-c2ccc(F)c(F)c2)c1C#N
BDBM50075562 NC(=O)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N
BDBM50075564 COc1cccc(c1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
BDBM50075565 NC(=S)NNc1nc(SCC#C)nc(-c2cccc(Cl)c2)c1C#N
BDBM50075568 NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)c(F)c2)c1C#N
BDBM50075569 NC(=S)NNc1nc(SCC#C)nc(-c2ccc(Cl)cc2)c1C#N
BDBM50075571 NC(=S)NNc1nc(SCC#C)nc(-c2ccc(F)cc2)c1C#N
BDBM50075573 CC(C)Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
BDBM50075575 NC(=S)NNc1nc(SCC#C)nc(-c2ccccc2)c1C#N
BDBM50078892 Cl.N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
BDBM50078893 Cl.N[C@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50078894 Cl.N[C@@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50078895 Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50078896 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 |r|
BDBM50078897 Cl.N[C@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
BDBM50078898 Cl.N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
BDBM50078899 Cl.N[C@@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 |r|
BDBM50075475 COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(F)cc2)nc(NNC(N)=S)c1C#N
BDBM50075476 COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)c(Cl)c2)nc(NNC(N)=S)c1C#N
BDBM50075477 Clc1ccc(cc1)-c1nc(SCc2cn(Cc3ccccc3Cl)nn2)nc(Cl)c1C#N
BDBM50075479 Clc1cccc(c1)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075480 Clc1nc(SCC#C)nc(-c2ccc(Br)cc2)c1C#N
BDBM50075482 Clc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075483 [O-][N+](=O)c1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075485 CC(C)Cc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075486 Cc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075487 COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075488 Clc1nc(SCC#C)nc(-c2ccccc2)c1C#N
BDBM50075489 COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(Nc2cccc(c2)C(F)(F)F)c1C#N
BDBM50075490 COc1ccc(Nc2nc(SCC#C)nc(-c3cc(OC)c(OC)c(OC)c3)c2C#N)cc1
BDBM50023741 Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1 |r|
BDBM50075570 NC(=S)NNc1nc(SCC#C)nc(-c2ccc(cc2)[N+]([O-])=O)c1C#N
BDBM50075474 COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
BDBM50078900 Cl.NC1CC1c1ccccc1NC(=O)c1ccccc1
BDBM50065383 Cl.Cl.S=C(NCCCNCCCCNCCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1
BDBM50065384 Cl.S=C(NCCCNCCCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
BDBM50065386 Cl.S=C(NCCCNCCCCCNCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1
BDBM50080870 Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
BDBM50080871 Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
BDBM50080873 Cl.N[C@H]1C[C@@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|
BDBM50075481 Fc1ccc(cc1F)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075484 Fc1ccc(cc1)-c1nc(SCC#C)nc(Cl)c1C#N
BDBM50075494 COc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
BDBM50075500 Clc1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
BDBM50075502 NC(=N)NNc1nc(SCC#C)nc(-c2ccc(cc2)[N+]([O-])=O)c1C#N
BDBM50075567 NC(=S)NNc1nc(SCC#C)nc(-c2ccc(Br)cc2)c1C#N
BDBM50075574 Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
BDBM50075497 [O-][N+](=O)c1ccc(Nc2nc(SCC#C)nc(-c3ccccc3)c2C#N)cc1
BDBM50139120 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCNCC2)cc1
BDBM50139121 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCOCC2)cc1
BDBM50139122 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CN2CCCCC2)cc1
BDBM50151584 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50151583 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50151586 CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50151587 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50121213 O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
BDBM50139118 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(C#N)c(F)c1
BDBM50142073 Cc1ccc(cc1)-c1ncc(O)cc1-c1ccc(cc1)C#N
BDBM50142074 Cc1ccc(cc1)-c1ncc(OCc2ccccc2)cc1-c1ccc(cc1)C#N
BDBM50142075 N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1cccnc1
BDBM50142076 CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)nc1 |r|
BDBM50142077 Fc1ccc(cn1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142080 N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccccc1
BDBM50142081 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#C
BDBM50142082 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(C)cc1
BDBM50142083 Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)cc1
BDBM50142084 N#Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
BDBM50142085 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)NC1CC1
BDBM50142086 Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C#N
BDBM50142185 COc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142186 Cc1ccc(cc1)-c1ncc(NCC2CCCNC2)cc1-c1ccc(cc1)C#N
BDBM50142187 FC(F)(F)Oc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142078 C(Oc1cnc(-c2ccccc2)c(n1)-c1ccccc1)C1CCNCC1
BDBM50142079 Cc1ccc(cn1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142189 C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1 |r|
BDBM50142188 N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccncc1
BDBM50142195 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCNCC1
BDBM50142234 CCNCc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccc(C)cc1
BDBM50142236 Fc1ccc(c(F)c1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142237 FC(F)(F)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142238 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142239 Cc1cccc(c1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142240 CCc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142194 C(Oc1ccc(nc1)-c1ccccc1)C1CCNCC1
BDBM50142242 CC(C)c1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142243 Cc1ccc(cc1)-c1ncc(OCC2CCCNC2)cc1-c1ccc(cc1)C#N
BDBM50142245 Brc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
BDBM50142246 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCOCC1
BDBM50142247 C(Oc1cnc(-c2ccccc2)c(c1)-c1ccccc1)C1CCNCC1
BDBM50142248 N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccc(cc1)C#N
BDBM50142249 Fc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM225270 CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
BDBM50139119 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1F)C#N
BDBM50140245 N#Cc1ccc(cc1)-c1cc(OCC2CCNCC2)cnc1-c1ccsc1
BDBM50140249 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(O)=O
BDBM50140044 Clc1ccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|
BDBM50140045 FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
BDBM50142244 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C(=O)N1CCCCC1
BDBM225272 CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
BDBM50140251 Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(CO)cc1
BDBM50142235 Fc1ccc(cc1F)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM50142241 Cc1ccc(cc1)-c1ccc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
BDBM225265 Oc1ccc(Cl)cc1NCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM225266 CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
BDBM225267 CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM225268 CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2O)c1
BDBM225269 CN(C)S(=O)(=O)c1cccc(NC(=O)CN(C)c2cc(Cl)ccc2O)c1
BDBM225271 CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1)c1cc(Cl)ccc1O
BDBM50151588 OC(=O)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
BDBM50151589 CC(C)CC(NC(=O)C(CCCN(CC#C)Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50153589 Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1 |r|
BDBM50153590 Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 |r|
BDBM50153591 Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)c(C)s2)s1 |r|
BDBM50153586 O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r|
BDBM50140043 O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
BDBM50153588 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)s1 |r|
BDBM50151590 CC(C)CC(NC(=O)C(CCCN(C)CC#C)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50151591 CC(C)CC(NC(=O)C(CCCCNC1CC1c1ccccc1)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50151585 CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
BDBM50153592 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
BDBM50153593 Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
BDBM103892 Clc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM50158883 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM105564 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(OC(F)F)nc2)n2cncc12
BDBM65039 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
BDBM256661 Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CCOCC2)s1
BDBM50158864 Nc1ccnc(n1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
BDBM50158865 OC(=O)CC1(CN(CCC(F)(F)F)C1)N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |r|
BDBM50158866 Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
BDBM50158867 COC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccn(C)n1 |r|
BDBM50158868 Cc1ncc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM50158869 OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
BDBM50158870 C(N[C@@H]1C[C@H]1c1ccccc1)C1CCNCC1 |r|
BDBM50158872 CN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1 |r|
BDBM50158873 Fc1ccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccccc2)cc1 |r|
BDBM50158874 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1C[C@]1(N)CCc1ccccc1 |r|
BDBM50158875 CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM50158876 CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(OC(=O)OC(C)(C)C)cc1 |r|
BDBM50158877 Oc1ccc(Cl)cc1Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N1CCOCC1
BDBM50158878 CSCCc1nc(oc1C)-c1cc(N)ccc1Cl
BDBM50158879 CC(C)CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C(O)=O
BDBM50158880 Cc1ccc(cc1)-c1cnc(NC[C@H]2CCNC2)nc1-c1ccc(cc1)C#N |r|
BDBM256723 OC(=O)c1ccc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)cc1 |r|
BDBM256724 Nc1nnc(CN[C@@H]2C[C@H]2c2cc(cs2)C(=O)NC2CCC(F)(F)CC2)o1 |r|
BDBM256726 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)Nc1cnn(C)c1 |r|
BDBM256727 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CCC1)C(=O)NC1CCOCC1 |r|
BDBM256728 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2N)s1 |r|
BDBM256729 O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@@H]1NCC1CC1 |r|
BDBM50153587 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)s1 |r|
BDBM112424 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCN(C)C2=O)n2ccnc12
BDBM112452 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3nccnc3c2)n2ccnc12
BDBM112453 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)CCc3c2)n2ccnc12
BDBM112480 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)c(CO)cc3c2)n2ccnc12
BDBM112484 CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2ccnc12 |r|
BDBM112485 CCn1c2ncc(cc2oc1=O)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N
BDBM111157 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111158 Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111159 CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM111160 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM111161 Cc1ccc(cc1)-c1c(nc(SC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111162 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111163 CN(C)CCCN(C)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111801 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4C(O)CCc4c(F)c3)n3ccnc23)C1 |r|
BDBM111802 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4C(O)CCc4c3)n3ccnc23)C1 |r|
BDBM111803 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3ccnc23)C1 |r|
BDBM111804 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)c(F)c3)n3ccnc23)C1 |r|
BDBM111893 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3ccnc23)C1 |r|
BDBM112388 COc1ncc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM112389 COC(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM112390 CC(O)c1ccc(cc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM112391 CC(O)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM112394 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4CCC(O)c4c(F)c3)n3ccnc23)C1 |r|
BDBM112488 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CCC(=O)N(C)c3c2)n2ccnc12
BDBM112486 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)cnc3c2)n2ccnc12
BDBM112487 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2ccnc12
BDBM112490 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCN(C)C(=O)C2)n2ccnc12
BDBM112491 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)nc(CO)c3c2)n2ccnc12
BDBM112492 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)Cc3c2)n2ccnc12
BDBM112493 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ccc3c2)n2ccnc12
BDBM112494 C[C@@H](O)c1nc2cc(ccc2n1C)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM112495 C[C@H](O)c1nc2cc(ccc2n1C)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM112644 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(C)nc3c2)n2ccnc12
BDBM112647 COc1cc(cnc1C)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N
BDBM112648 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(c3)C#N)n3ccnc23)C1 |r|
BDBM112649 COc1ncc(cc1O)-c1c(nc(N2CCC(CC2)N(C)C)c2nccn12)-c1ccc(cc1)C#N
BDBM112650 COc1ncc(cc1O)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM105566 CCOc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105573 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)ncc3c2)n2cncc12
BDBM105574 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CC(O)Cc4c3)n3cncc23)C1 |r|
BDBM254546 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
BDBM254547 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cncs1 |r,wU:10.12,wD:8.8,(5.92,2,;4.58,1.23,;4.58,-.31,;3.25,-1.08,;1.91,-.31,;1.91,1.23,;3.25,2,;.58,-1.08,;-.75,-.31,;-1.52,1.03,;-2.29,-.31,;-3.63,-1.08,;-5.09,-.6,;-6,-1.85,;-5.09,-3.09,;-3.63,-2.62,)|
BDBM105576 CN1CCC[C@@H](COc2nc(-c3ccc(C#N)c(F)c3)c(-c3ccc4N(C)C(=O)CCc4c3)n3cncc23)C1 |r|
BDBM105577 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3nccnc3c2)n2cncc12
BDBM105578 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3ccoc3c2)n2cncc12
BDBM105586 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2cncc12
BDBM105587 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)OCc3c2)n2cncc12
BDBM105589 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)cnc3c2)n2cncc12
BDBM254548 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cccnc1 |r,wU:10.12,wD:8.8,(6.06,2.15,;4.73,1.38,;4.73,-.16,;3.4,-.93,;2.06,-.16,;2.06,1.38,;3.4,2.15,;.73,-.93,;-.6,-.16,;-1.37,1.17,;-2.14,-.16,;-3.48,-.93,;-4.81,-.16,;-6.14,-.93,;-6.14,-2.47,;-4.81,-3.24,;-3.48,-2.47,)|
BDBM254549 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
BDBM254550 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-1.37,.22,;-2.71,-.55,;-4.04,.22,;-4.04,1.76,;-2.71,2.53,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
BDBM254551 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.42,;8.11,2.65,;8.11,1.11,;6.77,.34,;5.44,1.11,;5.44,2.65,;6.77,3.42,;4.1,.34,;2.77,1.11,;2,2.44,;1.23,1.11,;-.1,.34,;-.1,-1.2,;-1.44,-1.97,;-2.77,-1.2,;-4.1,-1.97,;-5.44,-1.2,;-6.77,-1.97,;-8.11,-1.2,;-9.44,-1.97,;-9.44,-3.51,;-8.11,-4.28,;-6.77,-3.51,;-2.77,.34,;-1.44,1.11,)|
BDBM254552 OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254553 NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
BDBM105590 CCn1c2ccc(cc2oc1=O)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105591 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)n(C)c3c2F)n2cncc12 |(8,3.81,;6.67,4.58,;6.67,6.12,;5.33,3.81,;5.33,2.27,;4,1.5,;2.67,2.27,;2.67,3.81,;4,4.58,;1.33,1.5,;,2.27,;-1.33,1.5,;-2.67,2.27,;-2.67,3.81,;-4,4.58,;-5.33,3.81,;-5.33,2.27,;-4,1.5,;-6.67,4.58,;-8,5.35,;-1.33,-.04,;-2.67,-.81,;-4,-.04,;-5.33,-.81,;-5.33,-2.35,;-6.48,-3.38,;-7.97,-2.98,;-5.85,-4.79,;-6.62,-6.12,;-4.32,-4.63,;-3.23,-5.71,;-4,-3.12,;-2.67,-2.35,;-1.33,-3.12,;,-.81,;.32,-2.32,;1.85,-2.48,;2.48,-1.07,;1.33,-.04,)|
BDBM105596 CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)Cc4c3)n3cncc23)C1 |r|
BDBM105597 CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)|
BDBM105599 CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2cncc12 |r|
BDBM254554 CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)|
BDBM254555 CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)|
BDBM254556 N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
BDBM254557 CC1(N)CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.21,1.64,;4.67,1.64,;5.44,2.98,;4.67,.1,;3.33,-.67,;2,.1,;2,1.64,;3.33,2.41,;.67,-.67,;-.67,.1,;-1.44,1.44,;-2.21,.1,;-3.54,-.67,;-3.54,-2.21,;-4.87,-2.98,;-6.21,-2.21,;-6.21,-.67,;-4.87,.1,)|
BDBM254558 NCC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.93,;5.44,2.7,;4.1,1.93,;4.1,.39,;2.77,-.38,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
BDBM254559 NC1CCCC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM254560 NC1CC(C1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:8.10,wD:6.6,(5.71,2.47,;4.38,1.7,;3.98,.21,;2.49,.61,;2.89,2.1,;1.16,-.16,;-.17,.61,;-.94,1.94,;-1.71,.61,;-3.05,-.16,;-3.05,-1.7,;-4.38,-2.47,;-5.71,-1.7,;-5.71,-.16,;-4.38,.61,)|
BDBM111164 CN1CCCC1CCNc1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111165 CN1CCC(CC1)Nc1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111166 CN1CCCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111167 Cc1ccc(cc1)-c1c(nc(N2CCC3(CCNC3)C2)c2nccn12)-c1ccc(cc1)C#N
BDBM111168 Cc1ccc(cc1)-c1c(nc(N2CCC3(CNC3)CC2)c2nccn12)-c1ccc(cc1)C#N
BDBM111169 CN(C)[C@@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12 |r|
BDBM111170 CN(C)[C@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12 |r|
BDBM104330 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3cncc23)C1 |r|
BDBM105600 CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2cncc12 |r,wU:3.2,(5.05,5.51,;6.14,4.42,;7.63,4.82,;5.75,2.93,;6.65,1.69,;5.75,.44,;4.28,.92,;4.28,2.46,;2.95,.15,;1.61,.92,;.28,.15,;-1.05,.92,;-1.05,2.46,;-2.39,3.23,;-3.72,2.46,;-3.72,.92,;-2.39,.15,;-5.06,3.23,;-6.39,4,;.28,-1.39,;-1.05,-2.16,;-2.39,-1.39,;-3.72,-2.16,;-5.19,-1.69,;-6.09,-2.93,;-7.63,-2.93,;-5.19,-4.18,;-5.96,-5.51,;-3.72,-3.7,;-2.39,-4.47,;-1.05,-3.7,;.28,-4.47,;1.61,-2.16,;1.93,-3.67,;3.46,-3.83,;4.09,-2.42,;2.95,-1.39,)|
BDBM105611 CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)Cc4c3)n3cncc23)C1 |r|
BDBM105630 COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
BDBM105653 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)n3cncc23)C1 |r|
BDBM105660 CCn1nnc2cc(cnc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105665 CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
BDBM254561 NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc12 |r|
BDBM254562 NC1CCC(CC1)N[C@@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,8.8,(6.1,2.69,;4.77,1.93,;4.77,.39,;3.44,-.39,;2.1,.39,;2.1,1.93,;3.44,2.7,;.77,-.38,;-.56,.39,;-1.33,1.72,;-2.1,.39,;-3.44,-.39,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-6.1,-.39,;-4.77,.38,)|
BDBM254563 CNC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:11.13,wD:9.9,(6.77,1.92,;5.44,2.69,;4.1,1.93,;4.1,.39,;2.77,-.39,;1.44,.39,;1.44,1.93,;2.77,2.7,;.1,-.38,;-1.23,.39,;-2,1.72,;-2.77,.39,;-4.1,-.39,;-4.1,-1.93,;-5.44,-2.7,;-6.77,-1.93,;-6.77,-.39,;-5.44,.38,)|
BDBM254564 CC(C)(C)OC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:17.19,wD:15.15,(8.77,2.69,;7.44,1.92,;7.44,.38,;8.77,1.15,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
BDBM254565 CCNC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.17,wD:13.13,(8.77,2.69,;7.44,1.92,;6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,2.69,;2.1,1.93,;2.1,.39,;.77,-.39,;-.56,.39,;-.56,1.93,;.77,2.7,;-1.9,-.38,;-3.23,.39,;-4,1.72,;-4.77,.39,;-6.1,-.39,;-6.1,-1.93,;-7.44,-2.7,;-8.77,-1.93,;-8.77,-.39,;-7.44,.38,)|
BDBM254566 C1[C@H](NC2CCC(CC2)N2CCOCC2)[C@H]1c1ccccc1 |r,wU:15.18,wD:1.1,(-2.67,.56,;-1.9,-.77,;-.56,-1.54,;.77,-.77,;2.1,-1.54,;3.44,-.77,;3.44,.77,;2.1,1.54,;.77,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;6.1,3.85,;4.77,3.08,;-3.44,-.77,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-7.44,-3.08,;-6.1,-3.85,;-4.77,-3.08,)|
BDBM254567 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Br)cc1 |r,wU:10.12,wD:8.8,(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
BDBM111171 Cc1ccc(cc1)-c1c(nc(NCCc2csc(N)n2)c2nccn12)-c1ccc(cc1)C#N
BDBM111172 Cc1ccc(cc1)-c1c(nc(C(=O)NCC2CNC2)c2nccn12)-c1ccc(cc1)C#N
BDBM111173 CN1CC(C1)NC(=O)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111174 N#Cc1ccc(cc1)-c1nc(OC[C@@H]2CCNC2)c2nccn2c1-c1ccccc1 |r|
BDBM111175 Clc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111176 FC(F)(F)c1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111177 N#Cc1ccc(cc1)-c1nc(OC[C@@H]2CCNC2)c2nccn2c1-c1ccc(cc1)N1CCCCC1 |r|
BDBM254603 NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
BDBM105667 CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
BDBM105672 CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4nccnc4c3)n3cncc23)C1 |r|
BDBM105686 COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
BDBM105693 COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
BDBM105695 CC(O)c1ccc(cc1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105728 CC(O)c1c(F)cc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM254568 Cc1ccccc1C1CC1NC1CCC(N)CC1 |(-2.1,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-6.1,-.38,;-4.77,.38,;-3.44,-.38,;-2.1,.38,;-1.33,1.72,;-.56,.38,;.77,-.38,;2.1,.38,;3.44,-.39,;4.77,.38,;4.77,1.92,;6.1,2.69,;3.44,2.69,;2.1,1.92,)|
BDBM254569 NC1CCC(CC1)NC1CC1c1ccc(cc1)C(F)(F)F |(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-2.77,-1.93,;-4.1,-2.69,;-5.44,-1.93,;-5.44,-.38,;-4.1,.38,;-6.77,-2.69,;-8.11,-1.92,;-7.86,-3.78,;-6.37,-4.18,)|
BDBM254570 COc1ccc(cc1)C1CC1NC1CCC(N)CC1 |(-7.44,-1.93,;-6.1,-2.69,;-4.77,-1.93,;-4.77,-.38,;-3.44,.38,;-2.1,-.38,;-2.1,-1.93,;-3.44,-2.69,;-.77,.38,;,1.72,;.77,.38,;2.1,-.38,;3.44,.38,;4.77,-.39,;6.1,.38,;6.1,1.92,;7.44,2.69,;4.77,2.69,;3.44,1.92,)|
BDBM254571 NC1CCC(CC1)NC1CC1c1ccc(O)cc1 |(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-4.1,.38,;-5.44,-.38,;-5.44,-1.93,;-6.77,-2.69,;-4.1,-2.69,;-2.77,-1.93,)|
BDBM254572 NC1CCC(CC1)NC1CC1c1ccccc1F |(6.1,2.69,;4.77,1.92,;4.77,.38,;3.44,-.39,;2.1,.38,;2.1,1.92,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,;-2.1,-2.69,)|
BDBM254573 NC1CCC(CC1)NC1CC1c1ccc(F)c(F)c1 |(6.77,3.46,;5.44,2.69,;5.44,1.15,;4.1,.38,;2.77,1.15,;2.77,2.69,;4.1,3.46,;1.44,.38,;.1,1.15,;-.67,2.49,;-1.44,1.15,;-2.77,.38,;-4.1,1.15,;-5.44,.38,;-5.44,-1.16,;-6.77,-1.93,;-4.1,-1.93,;-4.1,-3.46,;-2.77,-1.16,)|
BDBM254574 NC1CCC(CC1)NC1CC1c1ccc2ccccc2c1 |(6.77,3.85,;5.44,3.08,;5.44,1.54,;4.1,.77,;2.77,1.54,;2.77,3.08,;4.1,3.85,;1.44,.77,;.1,1.54,;-.67,2.87,;-1.44,1.54,;-2.77,.77,;-4.1,1.54,;-5.44,.77,;-5.44,-.77,;-6.77,-1.54,;-6.77,-3.08,;-5.44,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-2.77,-.77,)|
BDBM111178 COc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111179 CN(C)c1ncc(cn1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111180 CN(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111181 Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
BDBM111182 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(cn12)C(F)(F)F)-c1ccc(cc1)C#N |r|
BDBM111183 Cc1ccc(cc1)-c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
BDBM105733 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
BDBM105736 CC(O)c1c(C)cc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105760 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(F)c3)n3cncc23)C1 |r|
BDBM105762 CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
BDBM105764 COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
BDBM105777 COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
BDBM254575 CC1(CC1NC1CCC(N)CC1)c1ccccc1 |(-3.44,1.15,;-2.1,.38,;-1.33,1.72,;-.56,.38,;.77,-.38,;2.1,.38,;3.44,-.39,;4.77,.38,;4.77,1.92,;6.1,2.69,;3.44,2.69,;2.1,1.92,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
BDBM254576 N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:15.18,wD:13.14,1.0,(10.17,5.25,;9.4,3.92,;9.87,2.45,;8.63,1.55,;7.38,2.45,;7.86,3.92,;6.05,1.68,;6.05,.14,;4.71,-.63,;3.38,.14,;3.38,1.68,;4.71,2.45,;2.04,-.63,;.71,.14,;-.06,1.47,;-.83,.14,;-2.16,-.63,;-2.16,-2.17,;-3.5,-2.94,;-4.83,-2.17,;-4.83,-.63,;-3.5,.14,;-6.16,-2.94,;-6.16,-4.48,;-7.5,-5.25,;-8.83,-4.48,;-8.83,-2.94,;-7.5,-2.17,;-10.17,-2.17,;-11.71,-2.17,;-10.17,-.63,;-9.08,-1.08,)|
BDBM254577 N[C@H]1CC[C@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,4.7,1.0,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254578 N[C@H]1CC[C@@H](CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,1.0,wD:8.8,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254579 N[C@H]1CC[C@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,4.7,1.0,wD:10.12,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM254580 N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r,wU:8.8,1.0,wD:10.12,4.7,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-1.33,.77,;-2.67,,;-4,.77,;-4,2.31,;-2.67,3.08,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
BDBM111185 CNC(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
BDBM111186 CN(C)C(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
BDBM111187 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(cn12)C(=O)NC1CC1)-c1ccc(cc1)C#N |r|
BDBM111188 CN1CC(C1)NC(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
BDBM111189 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CO)cn12)-c1ccc(cc1)C#N |r|
BDBM111190 CN(C)Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
BDBM105779 CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
BDBM105784 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)C(C)(C)C#N)n3cncc23)C1 |r|
BDBM105825 CCc1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105842 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnn(c3)C3CCC3)n3cncc23)C1 |r|
BDBM105876 CNC(=O)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105877 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CC(O)Cc3c2)n2cncc12
BDBM254581 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r,wU:10.12,wD:8.8,(7.54,3.36,;6.21,2.59,;6.21,1.05,;4.87,.28,;3.54,1.05,;3.54,2.59,;4.87,3.36,;2.21,.28,;.87,1.05,;.1,2.39,;-.67,1.05,;-2,.28,;-3.33,1.05,;-4.67,.28,;-4.67,-1.26,;-3.33,-2.03,;-2,-1.26,;-6,-2.03,;-7.54,-2.03,;-6.77,-3.36,)|
BDBM254582 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r,wU:10.12,wD:8.8,(8.11,3.85,;6.77,3.08,;6.77,1.54,;5.44,.77,;4.1,1.54,;4.1,3.08,;5.44,3.85,;2.77,.77,;1.44,1.54,;.67,2.87,;-.1,1.54,;-1.44,.77,;-1.44,-.77,;-2.77,-1.54,;-4.1,-.77,;-4.1,.77,;-2.77,1.54,;-5.44,-1.54,;-6.77,-.77,;-8.11,-1.54,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,)|
BDBM254583 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cn[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
BDBM254584 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccn[nH]1 |r,wU:10.12,wD:8.8,(7.96,3.7,;6.62,2.93,;6.62,1.39,;5.29,.62,;3.96,1.39,;3.96,2.93,;5.29,3.7,;2.62,.62,;1.29,1.39,;.52,2.73,;-.25,1.39,;-1.59,.62,;-1.59,-.92,;-2.92,-1.69,;-4.25,-.92,;-4.25,.62,;-2.92,1.39,;-5.59,-1.69,;-7.05,-1.21,;-7.96,-2.46,;-7.05,-3.7,;-5.59,-3.23,)|
BDBM254585 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
BDBM254586 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r,wU:10.12,wD:8.8,(6.65,5.12,;5.31,4.35,;5.31,2.81,;3.98,2.04,;2.64,2.81,;2.64,4.35,;3.98,5.12,;1.31,2.04,;-.02,2.81,;-.79,4.15,;-1.56,2.81,;-2.9,2.04,;-4.36,2.52,;-5.27,1.27,;-4.36,.03,;-2.9,.5,;-4.76,-1.46,;-6.25,-1.86,;-6.65,-3.35,;-5.56,-4.43,;-4.07,-4.04,;-2.98,-5.12,;-3.67,-2.55,)|
BDBM111191 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CN3CCC3)cn12)-c1ccc(cc1)C#N |r|
BDBM111192 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CNCC3CC3)cn12)-c1ccc(cc1)C#N |r|
BDBM111193 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CNc3ccon3)cn12)-c1ccc(cc1)C#N |r|
BDBM111194 CN(C)Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCN(C)C3)c2n1)-c1ccc(cc1)C#N |r|
BDBM111195 CN(C)CCc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
BDBM111196 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)n3ccnc23)C1 |r|
BDBM105878 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)CCc3c2)n2cncc12
BDBM105879 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(F)c3n(C)c(=O)n(C)c3c2)n2cncc12
BDBM105880 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnn(c2)C2CCC2)n2cncc12
BDBM105893 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(c2)C(F)F)n2cncc12
BDBM105897 CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105901 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(CO)c2)n2cncc12
BDBM254588 Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:14.15,wD:16.19,(-8.77,-3.08,;-7.44,-2.31,;-7.44,-.77,;-6.1,,;-4.77,-.77,;-4.77,-2.31,;-6.1,-3.08,;-6.1,-4.62,;-3.44,,;-3.44,1.54,;-2.1,2.31,;-.77,1.54,;-.77,,;-2.1,-.77,;.56,2.31,;1.33,3.64,;2.1,2.31,;3.44,1.54,;4.77,2.31,;6.1,1.54,;7.44,2.31,;7.44,3.85,;8.77,4.62,;6.1,4.62,;4.77,3.85,)|
BDBM254589 COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:19.20,wD:21.24,(-2.03,-3.2,;-3.37,-3.95,;-4.7,-3.17,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-11.44,-2.31,;-11.44,-.77,;-10.11,-3.08,;-6.1,-.77,;-4.77,-1.54,;-3.44,-.77,;-2.1,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;.56,1.54,;1.33,2.87,;2.1,1.54,;3.44,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,3.85,;4.77,3.08,)|
BDBM254590 NC1CCC(CC1)N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(10.95,4.7,;9.61,3.93,;9.61,2.39,;8.28,1.62,;6.94,2.39,;6.94,3.93,;8.28,4.7,;5.61,1.62,;4.28,2.39,;3.51,3.73,;2.74,2.39,;1.4,1.62,;.16,2.53,;-1.09,1.62,;-.61,.16,;.93,.16,;-1.7,-.93,;-1.3,-2.42,;-2.39,-3.51,;-3.88,-3.11,;-4.28,-1.62,;-5.61,-.85,;-6.94,-1.62,;-7.71,-.29,;-6.17,-2.96,;-8.28,-2.39,;-8.28,-3.93,;-9.61,-4.7,;-10.95,-3.93,;-10.95,-2.39,;-9.61,-1.57,;-9.61,-.03,;-9.61,1.51,;-3.19,-.53,)|
BDBM103878 Cc1ccc(cc1)-c1c(cc(-c2cccc(CN3CCC(N)C3)c2)c2ncnn12)-c1ccc(cc1)C#N
BDBM111197 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3ccnc23)C1 |r|
BDBM111198 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4OCCOc4c3)n3ccnc23)C1 |r|
BDBM111199 CN(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111200 CN(CC1CCCO1)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111201 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3ccnc23)C1 |r|
BDBM111202 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3ccnc23)C1 |r|
BDBM105905 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(nc3c2)C(F)F)n2cncc12
BDBM105913 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3ccccc3c2)n2cncc12
BDBM105916 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3ncccc3c2)n2cncc12
BDBM105922 CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
BDBM106010 COCc1cc(cnc1C)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM106012 COc1ncc(cc1C#N)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM254594 NC1CCC(CC1)N[C@H]1C[C@]1(F)c1ccccc1 |r,wD:8.8,10.12,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
BDBM254595 NC1CCC(CC1)N[C@H]1C[C@@]1(F)c1ccccc1 |r,wU:10.12,wD:8.8,(6.1,2.69,;4.77,1.93,;4.77,.38,;3.44,-.38,;2.1,.38,;2.1,1.93,;3.44,2.69,;.77,-.38,;-.56,.38,;-1.33,1.72,;-2.1,.38,;-3.44,1.15,;-3.44,-.38,;-4.77,.38,;-6.1,-.38,;-6.1,-1.93,;-4.77,-2.69,;-3.44,-1.93,)|
BDBM254596 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)N2CCNCC2)cc1 |r,wU:10.12,wD:8.8,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-4.77,-3.08,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-6.1,-.77,;-8.77,-.77,;-10.11,-1.54,;-11.44,-.77,;-11.44,.77,;-10.11,1.54,;-8.77,.77,;-.77,.77,;.56,1.54,)|
BDBM254597 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccnc2)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-2.77,.77,;-1.44,1.54,)|
BDBM111203 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4scnc4c3)n3ccnc23)C1 |r|
BDBM111204 CN(C)[C@H]1CCN(Cc2nc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)n3ccnc23)C1 |r|
BDBM111205 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2ccnc12
BDBM111206 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)n2ccnc12
BDBM111207 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2ccnc12
BDBM111208 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)COc3c2)n2ccnc12
BDBM106019 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(CO)c(C)c2)n2cncc12
BDBM106024 COc1ncc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM106044 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)C(C)(C)O)n3cncc23)C1 |r|
BDBM106051 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
BDBM106070 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(C)nc4c3)n3cncc23)C1 |r|
BDBM106085 CN1Cc2cc(ccc2C1=O)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM254598 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2F)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-5.44,-3.85,;-2.77,.77,;-1.44,1.54,)|
BDBM254599 Cc1cccc(CNc2ccc(cn2)[C@H]2C[C@@H]2NC2CCC(N)CC2)c1 |r,wU:14.14,wD:16.18,(-10.11,-.77,;-8.77,-1.54,;-8.77,-3.08,;-7.44,-3.85,;-6.1,-3.08,;-6.1,-1.54,;-4.77,-.77,;-3.44,-1.54,;-2.1,-.77,;-2.1,.77,;-.77,1.54,;.56,.77,;.56,-.77,;-.77,-1.54,;1.9,1.54,;2.67,2.87,;3.44,1.54,;4.77,.77,;6.1,1.54,;7.44,.77,;8.77,1.54,;8.77,3.08,;10.11,3.85,;7.44,3.85,;6.1,3.08,;-7.44,-.77,)|
BDBM254600 NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(Nc2cccc(c2)C#N)nc1 |r,wU:10.12,wD:8.8,(8.77,2.31,;7.44,1.54,;7.44,,;6.1,-.77,;4.77,,;4.77,1.54,;6.1,2.31,;3.44,-.77,;2.1,,;1.33,1.33,;.56,,;-.77,-.77,;-2.1,,;-3.44,-.77,;-3.44,-2.31,;-4.77,-3.08,;-6.1,-2.31,;-7.44,-3.08,;-8.77,-2.31,;-8.77,-.77,;-7.44,.06,;-6.1,-.77,;-7.44,1.6,;-7.44,3.14,;-2.1,-3.08,;-.77,-2.31,)|
BDBM111184 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CC#N)cn12)-c1ccc(cc1)C#N |r|
BDBM111209 CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3ccnc23)C1 |r|
BDBM111210 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2ccnc12 |(8.62,2.83,;7.29,3.6,;7.29,5.14,;5.96,2.83,;5.96,1.29,;4.62,.52,;3.29,1.29,;3.29,2.83,;4.62,3.6,;1.95,.52,;.62,1.29,;-.71,.52,;-2.05,1.29,;-3.38,.52,;-4.71,1.29,;-4.71,2.83,;-3.38,3.6,;-2.05,2.83,;-6.05,3.6,;-7.38,4.37,;-.71,-1.02,;-2.05,-1.79,;-3.38,-1.02,;-4.71,-1.79,;-6.18,-1.31,;-7.08,-2.56,;-8.62,-2.56,;-6.18,-3.81,;-6.95,-5.14,;-4.71,-3.33,;-3.38,-4.1,;-2.05,-3.33,;-.71,-4.1,;.62,-1.79,;.94,-3.3,;2.47,-3.46,;3.1,-2.05,;1.95,-1.02,)|
BDBM111211 CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3ccnc23)C1 |r|
BDBM111212 Cn1c2ccc(cc2oc1=O)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111213 Cn1ncc2cc(ccc12)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111397 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)c(=O)oc3c2)n2ccnc12
BDBM112396 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)cc3F)n3ccnc23)C1 |r,wD:5.5,(10,.39,;8.67,1.16,;8.67,2.7,;7.34,3.47,;6,2.7,;6,1.16,;4.67,.39,;3.33,1.16,;2,.39,;.67,1.16,;-.67,.39,;-2,1.16,;-2,2.7,;-3.33,3.47,;-4.72,2.72,;-4.67,1.16,;-3.33,.39,;-6.05,3.49,;-7.38,4.26,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-4.67,-1.93,;-4.67,-3.47,;-6,-4.24,;-7.34,-3.47,;-7.34,-1.93,;-8.67,-1.16,;-10,-1.93,;-10,-3.47,;-8.67,-4.24,;-3.33,-4.24,;-2,-3.47,;-.67,-4.24,;.67,-1.93,;.99,-3.43,;2.52,-3.59,;3.15,-2.19,;2,-1.16,;7.34,.39,)|
BDBM112399 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3CO)n3ccnc23)C1 |r,wD:5.5,(8.67,1.15,;7.34,1.93,;7.34,3.47,;6,4.23,;4.67,3.47,;4.67,1.93,;3.33,1.15,;2,1.93,;.67,1.15,;-.67,1.93,;-2,1.15,;-3.33,1.93,;-3.33,3.47,;-4.67,4.23,;-6.05,3.49,;-6,1.93,;-4.67,1.15,;-7.38,4.26,;-8.72,5.03,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-6,-1.15,;-6,-2.69,;-7.34,-3.47,;-4.67,-3.47,;-3.33,-2.69,;-2,-3.47,;-2,-5,;-.67,-1.15,;-.35,-2.66,;1.18,-2.82,;1.81,-1.42,;.67,-.38,;6,1.15,)|
BDBM112400 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CC#N)c3)n3ccnc23)C1 |r|
BDBM112405 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(C)c2)n2ccnc12
BDBM112406 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CC(O)Cc3c2)n2ccnc12
BDBM106086 CC(C)n1nnc2cc(cnc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM106087 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(nnc4c3)C3CC3)n3cncc23)C1 |r|
BDBM106093 CC(C)c1nc2cc(cnc2n1C)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM106143 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)c(nc4c3)C3CC3)n3cncc23)C1 |r|
BDBM111125 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111398 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCOC2=O)n2ccnc12
BDBM111399 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)nc(N)c3c2)n2ccnc12
BDBM111458 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(c3)C#N)n3ccnc23)C1 |r|
BDBM111562 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)n3ccnc23)C1 |r|
BDBM111777 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CN4CCN(CC4)S(C)(=O)=O)c3)n3ccnc23)C1 |r|
BDBM111786 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3ccnc23)C1 |r|
BDBM112407 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(O)c2)n2ccnc12
BDBM112412 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CCC(O)c3c2)n2ccnc12
BDBM112416 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)c(CO)c2)n2ccnc12
BDBM112417 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(C)c(CO)c(F)c2)n2ccnc12
BDBM112422 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)Cc3c2)n2ccnc12
BDBM112423 CN(C)C1CCCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2ccnc12
BDBM111127 Cc1ccc(cc1)-c1c(nc(CCC2CCNC2)c2nccn12)-c1ccc(cc1)C#N
BDBM111151 Cc1ccc(cc1)-c1c(nc(CO[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111152 CN(C)[C@H]1CCN(Cc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM111153 CN(C)[C@@H]1CCN(Cc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM111154 CN(C)[C@@H]1CCN(CCc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM111155 CN1CCC(C1)Oc1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111156 CN(C)CCCOc1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ccnc12
BDBM111793 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CCC(O)c4c3)n3ccnc23)C1 |r|
BDBM111795 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)cc3)n3ccnc23)C1 |r|
BDBM111796 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)cc3)n3ccnc23)C1 |r|
BDBM111798 COC(=O)N(C)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111799 COC(=O)N(C)c1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
BDBM111800 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CC(O)Cc4c3)n3ccnc23)C1 |r|
BDBM50158871 C(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(Cc2ccccc2)CC1 |r|
BDBM50158863 CN(C)CC(=O)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)(Cc2cccc(c2)C#N)CC1 |r|
BDBM256623 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c(C)s2)s1
BDBM105553 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2CO)n2cncc12 |(8,3.08,;6.67,3.85,;6.67,5.39,;5.33,3.08,;5.33,1.54,;4,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-6.67,3.85,;-8,4.62,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.33,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.39,;,-1.54,;.32,-3.05,;1.85,-3.21,;2.48,-1.8,;1.33,-.77,)|
BDBM105555 COc1ncc(cc1C)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105557 COC(=O)N(C)c1ccc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105559 COC(=O)N(C)c1ccc(cc1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105561 COC(=O)N(C)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105563 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(F)c2)n2cncc12
BDBM256649 FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NCC1CC1
BDBM256650 FC1(F)CCC(CC1)NC(=O)c1cc(cs1)C1CC1NC1CCOCC1
BDBM256651 FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CC1
BDBM256652 FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NC1CCOCC1
BDBM256653 O=C(NC1CCOCC1)c1csc(c1)C1CC1NCC1CC1
BDBM256654 Cc1nnc(NC(=O)c2csc(c2)C2CC2NC2CCC2)s1
BDBM256655 Cn1cc(NC(=O)c2csc(c2)C2CC2NC2CCC2)cn1
BDBM256656 FC1(F)CCC(CC1)NC(=O)c1nc(cs1)C1CC1NCC1CC1
BDBM103880 CN1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)CC1
BDBM103881 CN(C)[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
BDBM103882 CN(C)[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
BDBM103883 CN[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
BDBM103884 CN[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
BDBM103885 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N |r|
BDBM256657 FC1(F)CCC(CC1)NC(=O)c1ccc(s1)C1CC1NCC1CC1
BDBM256658 Cc1nnc(NC(=O)c2ccc(s2)C2CC2NCC2CC2)s1
BDBM103886 CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r|
BDBM103887 Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM103888 Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(F)cc1 |r|
BDBM103889 Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)[N+]([O-])=O |r|
BDBM103890 Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(C#N)c(F)c1 |r|
BDBM103891 Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1F)C#N |r|
BDBM103893 N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1cnn(c1)C1CCC1 |r|
BDBM103894 Cc1ccc(c(F)c1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,wD:14.14,(-6.52,-4.23,;-5.19,-3.46,;-5.19,-1.93,;-3.85,-1.15,;-2.52,-1.93,;-2.52,-3.46,;-1.18,-4.23,;-3.85,-4.23,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;1.48,.38,;2.82,1.15,;4.15,.38,;5.48,1.15,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;1.48,-1.15,;2.63,-2.19,;2,-3.59,;.47,-3.43,;.15,-1.93,;-2.52,1.15,;-2.52,2.69,;-3.85,3.47,;-5.23,2.72,;-5.19,1.15,;-3.85,.38,;-6.57,3.49,;-7.9,4.26,)|
BDBM103895 CCC1CCC(=CC1)c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,c:5|
BDBM103896 CC(C)(C)OC(=O)N1CCC(=CC1)c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,c:10|
BDBM103897 Cn1ncc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM103898 CN1C(=O)Cc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM103899 N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(cc1)N1CCOCC1 |r|
BDBM103900 CN1CCOc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM103901 CN1CCOc2ccc(cc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM103988 N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc2OCCOc2c1 |r|
BDBM104007 N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(CN2CCOCC2)cc1 |r|
BDBM104015 N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(CCN2CCOCC2)cc1 |r|
BDBM256677 O=C(NC1CC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM256678 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)s1
BDBM256679 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CCOCC2)s1
BDBM256680 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NC2CCN(CC2)C2CC2)s1
BDBM104017 CN1CCN(Cc2ccc(cc2)-c2c(cc(OC[C@@H]3CCNC3)c3cncn23)-c2ccc(cc2)C#N)CC1 |r|
BDBM104019 CN1CC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3cncc23)C1 |r|
BDBM104040 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
BDBM104041 CN1C(=O)Cc2cc(ccc12)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM104042 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)ncc4c3)n3cncc23)C1 |r|
BDBM104070 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)CCc4c3)n3cncc23)C1 |r|
BDBM256683 Cn1cc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)cn1
BDBM256684 O=C(NC1CCOCC1)c1cc(cs1)C1CC1NC1CCC1
BDBM256685 O=C(NC1CCOCC1)c1cc(cs1)C1CC1NCC1CC1
BDBM256686 Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CC1
BDBM256687 Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NCC1CCOCC1
BDBM256688 Cc1sc(cc1C(=O)NC1CCC(F)(F)CC1)C1CC1NC1CCOCC1
BDBM256689 Cc1sc(cc1C(=O)NC1CCOCC1)C1CC1NCC1CC1
BDBM104071 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
BDBM104072 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)n(C)c4c3)n3cncc23)C1 |r|
BDBM104073 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
BDBM104075 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)cnc4c3)n3cncc23)C1 |r|
BDBM104111 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)n3cncc23)C1 |r|
BDBM104112 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)|
BDBM256690 Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CC2)s1
BDBM256691 Cc1nnc(NC(=O)c2cc(sc2C)C2CC2NCC2CCOCC2)s1
BDBM256692 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
BDBM256693 O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NC1CCC1 |r|
BDBM256694 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CCOCC2)s1 |r|
BDBM256695 O=C(NC1CCOCC1)c1cc(cs1)[C@H]1C[C@@H]1NCC1CC1 |r|
BDBM256696 O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NC1CCC1 |r|
BDBM256697 O=C(NC1CCOCC1)c1cc(cs1)[C@@H]1C[C@H]1NCC1CC1 |r|
BDBM104113 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4ncccc4c3)n3cncc23)C1 |r|
BDBM104114 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)nc(C)c4c3)n3cncc23)C1 |r|
BDBM104115 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4ncsc4c3)n3cncc23)C1 |r|
BDBM104116 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4scnc4c3)n3cncc23)C1 |r|
BDBM104117 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4sc(C)nc4c3)n3cncc23)C1 |r|
BDBM104118 CN1CCC[C@@H](COc2nc(-c3ccc(C#N)c(F)c3)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
BDBM256698 Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
BDBM256699 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCN(CC2)C2CC2)s1 |r|
BDBM256702 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)s1 |r|
BDBM256705 Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)cn1 |r|
BDBM104119 Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM104120 Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM104121 CC(O)CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
BDBM104122 COCCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
BDBM104123 Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CC(C)(C)O)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM104159 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)n3cncc23)C1 |r|
BDBM256706 Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NCC2CC2)cn1 |r|
BDBM256707 Cn1cc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)cn1 |r|
BDBM256708 Cn1cc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)cn1 |r|
BDBM256711 Cc1sc(cc1[C@@H]1C[C@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
BDBM256712 Cc1sc(cc1[C@H]1C[C@@H]1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1 |r|
BDBM256713 Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CC3)c(C)s2)s1 |r|
BDBM104160 COc1ncc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM104161 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
BDBM104176 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3cncc23)C1 |r|
BDBM104212 COC(=O)N(C)c1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM104351 COC(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM256714 Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NCC3CCOCC3)c(C)s2)s1 |r|
BDBM256715 Cc1nnc(NC(=O)c2cc([C@H]3C[C@@H]3NC3CCC3)c(C)s2)s1 |r|
BDBM256717 Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
BDBM256718 Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
BDBM256719 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
BDBM256720 Cc1sc(cc1[C@H]1C[C@@H]1NCC1CC1)C(=O)NC1CCOCC1 |r|
BDBM256721 Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
BDBM104657 COC(=O)N(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM104678 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)n2cncc12
BDBM104681 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2cncc12
BDBM104682 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)Cc3c2)n2cncc12
BDBM104923 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2cncc12
BDBM256722 Cc1sc(cc1[C@H]1C[C@@H]1NC1CCC1)C(=O)NC1CCOCC1 |r|
BDBM104925 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3cccnc3c2)n2cncc12
BDBM104926 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4nccnc4c3)n3cncc23)C1 |r|
BDBM104928 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
BDBM104983 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)cnc4c3)n3cncc23)C1 |r|
BDBM104988 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4cccnc4c3)n3cncc23)C1 |r|
BDBM105030 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
BDBM256622 Cc1nnc(NC(=O)c2cc(C3CC3N)c(C)s2)s1
BDBM256624 Cn1nc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
BDBM105031 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
BDBM105055 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
BDBM105087 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
BDBM105122 CN1C(=O)Cc2cc(ccc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105127 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
BDBM105135 CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)cnc4c3)n3cncc23)C1 |r|
BDBM256625 Cn1nc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
BDBM256626 Cc1nnc(NC(=O)c2cc(C3CC3N)c3ccccc3c2)s1
BDBM256627 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c3ccccc3c2)s1
BDBM256628 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
BDBM105136 CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
BDBM105149 CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
BDBM105170 COc1ncc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105503 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)n3cncc23)C1 |r|
BDBM105507 COc1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM256629 Cc1sc(cc1C1CC1NCC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
BDBM256630 Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2N)s1
BDBM256631 Cc1nnc(NC(=O)c2cc3CCOc3c(c2)C2CC2NCC2CC2)s1
BDBM256632 FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CC1
BDBM256633 FC1(F)CCC(CC1)NC(=O)c1cc2CCOc2c(c1)C1CC1NCC1CCOCC1
BDBM105508 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3cncc23)C1 |r|
BDBM105512 COC(=O)N(C)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105513 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
BDBM105514 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(O)c3)n3cncc23)C1 |r|
BDBM105515 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(cc3)C(C)(C)O)n3cncc23)C1 |r|
BDBM105525 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(N4CCOCC4)c(F)c3)n3cncc23)C1 |r|
BDBM256635 Cc1ncc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
BDBM256636 Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2N)s1
BDBM256634 Cc1ncc(cc1C1CC1N)C(=O)NC1CCC(F)(F)CC1
BDBM256637 Cc1nnc(NC(=O)c2cc(cc3ccccc23)C2CC2NCC2CCOCC2)s1
BDBM256638 Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
BDBM256639 Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCC(F)(F)CC1
BDBM256640 Cc1sc(cc1C1CC1NCC1CC1)C(=O)NC1CCOCC1
BDBM105526 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3cncc23)C1 |r|
BDBM105530 CN(C)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105531 CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
BDBM105532 CN(C)C(=O)N(C)Cc1ccc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105533 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)cnc3c2)n2cncc12
BDBM105535 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ccc3c2)n2cncc12
BDBM256641 Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1
BDBM256642 Cc1sc(cc1C1CC1NC1CCOCC1)C(=O)NC1CCC(F)(F)CC1
BDBM256643 Cc1sc(cc1C1CC1NC1CCC1)C(=O)Nc1cnn(C)c1
BDBM256644 Cc1nnc(NC(=O)c2csc(c2)C2CC2NCC2CC2)s1
BDBM256645 FC1(F)CCC(CC1)NC(=O)c1csc(c1)C1CC1NCC1CCOCC1
BDBM256646 Cc1sc(cc1C1CC1N)C(=O)Nc1cnn(C)c1
BDBM256648 Cc1nnc(NC(=O)c2cc(cs2)C2CC2NCC2CC2)s1
BDBM103879 Cc1ccc(cc1)-c1c(cc(-c2cccc(CN3CCNCC3)c2)c2ncnn12)-c1ccc(cc1)C#N
BDBM103874 Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N |r|
BDBM103875 Cc1ccc(cc1)-c1c(cc(CCC2CCNC2)c2ncnn12)-c1ccc(cc1)C#N
BDBM103876 CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
BDBM103877 CNCc1cccc(c1)-c1cc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ncnc12
BDBM104918 COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105539 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3cncc23)C1 |r|
BDBM105543 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
BDBM105544 COC(=O)N(C)c1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
BDBM105546 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(F)c3)n3cncc23)C1 |r|
BDBM105550 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(C)c2)n2cncc12
BDBM105551 COc1ncc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
BDBM105552 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)c(CO)c2)n2cncc12
BDBM50158881 CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r|
BDBM50158882 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
BDBM50158884 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50158885 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50158886 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50158887 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(N)=O |r|
BDBM50170902 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)Cn1cc(CN2C(=O)C(=O)c3c2c(Cl)ccc3Cl)nn1 |r,t:17|
BDBM193878 COC1CCCN(C1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM193883 O=C(N1CC(CNC2CC2c2ccccc2)C1)N1CCC(CC1)(C#N)c1ccccc1
BDBM193893 OC1(CCN(CC1)C(=O)N1CC(CNC2CC2c2ccccc2)C1)c1ccccc1
BDBM194088 Fc1ccc2NCC3(CCN(CC3)C(=O)N3CC(CNC4CC4c4ccccc4)C3)c2c1
BDBM194093 Fc1ccccc1NC(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM194097 Fc1cccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)c1
BDBM194098 Fc1ccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)cc1
BDBM194108 COc1ccccc1NC(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM194103 COc1ccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)cc1
BDBM194107 COc1cccc(NC(=O)N2CC(CNC3CC3c3ccccc3)C2)c1
BDBM194109 O=C(N1CC(CNC2CC2c2ccccc2)C1)c1ccc(cc1)C#N
BDBM194115 O=C(N1CC(CNC2CC2c2ccccc2)C1)c1cccc(c1)C#N
BDBM194116 COc1cccc(c1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM194117 Fc1ccc(cc1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM194643 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CC[C@@H](O)C1 |r|
BDBM194651 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CC[C@H](O)C1 |r|
BDBM194668 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(Cc2ccc(cc2)C(O)=O)CC1 |r|
BDBM194669 COCC1(CN[C@@H]2CC2c2ccc(F)cc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
BDBM194128 FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM194118 Fc1cccc(c1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM194671 COCC1(CN[C@@H]2CC2c2ccccc2F)CCN(CC2(CCC2)C(O)=O)CC1 |r|
BDBM194673 COCC1(CN[C@@H]2CC2c2ccc(F)c(F)c2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
BDBM194675 COCC1(CNC2CC2c2ccccc2OC)CCN(CC2(CCC2)C(O)=O)CC1
BDBM194678 COCC1(CNC2CC2c2ccc(OC)cc2)CCN(CC2(CCC2)C(O)=O)CC1
BDBM194679 COCC1(CCN(CC2(CCC2)C(O)=O)CC1)C(C)N[C@@H]1C[C@H]1c1ccccc1 |r|
BDBM194681 COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)cn1 |r|
BDBM194685 CCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
BDBM194686 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCc3ccccc3)CC2)CC1 |r|
BDBM194687 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCc3ccccc3)CC2)CCC1 |r|
BDBM194683 CCOCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1 |r|
BDBM194688 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(cc3F)C#N)CC2)CC1 |r|
BDBM194689 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3F)CC2)CC1 |r|
BDBM194690 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3F)CC2)CCC1 |r|
BDBM194129 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)CC1 |r|
BDBM194130 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)CCC1 |r|
BDBM194131 N[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r,wU:15.15,1.0,wD:4.7,(9.44,-.38,;8.11,.39,;6.77,-.38,;5.44,.39,;5.44,1.93,;6.77,2.7,;8.11,1.93,;4.1,2.69,;4.1,4.23,;2.77,1.93,;2.77,.38,;1.44,-.38,;.1,.38,;-1.23,-.38,;-2.56,.38,;-3.9,-.38,;-4.67,.95,;-5.44,-.38,;-6.77,-1.15,;-8.11,-.38,;-9.44,-1.15,;-9.44,-2.69,;-8.11,-3.47,;-6.77,-2.69,;.1,-1.15,;1.44,-1.93,;1.44,-3.46,;2.77,-4.23,;4.1,-3.46,;5.44,-4.23,;4.1,-1.93,;2.77,-1.15,;.1,1.93,;1.44,2.69,)|
BDBM194132 NC1(CCC1)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1 |r|
BDBM194201 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1 |r|
BDBM194691 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(F)c3)CC2)CC1 |r|
BDBM194692 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(F)c3)CC2)CCC1 |r|
BDBM194693 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3C#N)CC2)CC1 |r|
BDBM194694 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(c3)C#N)CC2)CC1 |r|
BDBM194695 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3)C#N)CC2)CC1 |r|
BDBM194696 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3F)C#N)CC2)CC1 |r|
BDBM194233 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
BDBM194234 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCCC2)C(O)=O)CC1 |r|
BDBM194235 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@@H]1CCCN1C |r|
BDBM194236 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cn(C)cn1 |r|
BDBM194239 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccc(N)nn1 |r|
BDBM194240 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)C1CCN(C)CC1 |r|
BDBM194697 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccccc3C#N)CC2)CCC1 |r|
BDBM194698 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3cccc(c3)C#N)CC2)CCC1 |r|
BDBM194699 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3)C#N)CC2)CCC1 |r|
BDBM194700 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(cc3F)C#N)CC2)CCC1 |r|
BDBM194701 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ccc(F)cn3)CC2)CC1 |r|
BDBM194702 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ncc(F)cn3)CC2)CC1 |r|
BDBM194242 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccn(C)n1 |r|
BDBM194243 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCN(C)CC1 |r|
BDBM194244 CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CC2)C(O)=O)CC1 |r|
BDBM194703 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COc3ncccc3F)CC2)CC1 |r|
BDBM194704 CNC(=O)c1ccc(OCC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)cn1 |r|
BDBM194705 CNC(=O)c1cccc(OCC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)n1 |r|
BDBM194706 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCC3CCC3)CC2)CC1 |r|
BDBM194707 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COCC3CCC3)CC2)CCC1 |r|
BDBM194708 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COC3CCCCC3)CC2)CC1 |r|
BDBM194245 CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC2(CCC2)C(O)=O)CC1 |r|
BDBM194246 Cn1ccc(n1)C(=O)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
BDBM194247 Cn1cnc(c1)C(=O)N1CCC(C)(CN[C@@H]2CC2c2ccccc2)CC1 |r|
BDBM194255 CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnc(N)nc1 |r|
BDBM194256 CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccc(N)nn1 |r|
BDBM194263 CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1c[nH]nc1N |r|
BDBM194338 CC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)C1(N)CCCC1 |r|
BDBM194709 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(COC3CCCCC3)CC2)CCC1 |r|
BDBM194710 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cn3)CC2)CC1 |r|
BDBM194711 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cn3)CC2)CCC1 |r|
BDBM194712 COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CC3)C(O)=O)CC2)cc1 |r|
BDBM194713 COc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCN(CC3(CCC3)C(O)=O)CC2)cc1 |r|
BDBM194714 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@H]1CC[C@H](CO)CC1 |r,wU:6.5,22.24,wD:25.28,(-.63,-4.07,;-.1,-2.63,;-1.09,-1.45,;-.56,,;-1.9,-.77,;-3.23,,;-4.56,-.77,;-5.33,.56,;-6.1,-.77,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-10.11,-3.08,;-8.77,-3.85,;-7.44,-3.08,;.77,-.77,;2.1,,;2.1,1.54,;.77,2.31,;-.56,1.54,;3.44,2.31,;3.44,3.85,;4.77,1.54,;6.1,2.31,;7.44,1.54,;7.44,,;8.77,-.77,;10.11,,;6.1,-.77,;4.77,,)|
BDBM194381 CC1(CN[C@@H]2CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1 |r|
BDBM194551 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(CC#N)cc3)CC2)CC1 |r|
BDBM194552 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(CC#N)cc3)CC2)CCC1 |r|
BDBM194553 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(cc3)C#N)CC2)CC1 |r|
BDBM194567 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C#N)CC2)CC1 |r|
BDBM194715 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)[C@@H]1CC[C@H](CO)CC1 |r,wU:6.5,22.24,25.28,(-.63,-4.07,;-.1,-2.63,;-1.09,-1.45,;-.56,,;-1.9,-.77,;-3.23,,;-4.56,-.77,;-5.33,.56,;-6.1,-.77,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-10.11,-3.08,;-8.77,-3.85,;-7.44,-3.08,;.77,-.77,;2.1,,;2.1,1.54,;.77,2.31,;-.56,1.54,;3.44,2.31,;3.44,3.85,;4.77,1.54,;4.77,,;6.1,-.77,;7.44,,;8.77,-.77,;10.11,,;7.44,1.54,;6.1,2.31,)|
BDBM194716 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)C1(CC1)C#N |r|
BDBM194717 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnn(CCO)c1 |r|
BDBM194718 COCCn1cc(cn1)C(=O)N1CCC(CN[C@@H]2CC2c2ccccc2)(COC)CC1 |r|
BDBM194719 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnn(C)c1 |r|
BDBM194720 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1cnn(CCC#N)c1 |r|
BDBM194721 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccn(CCC#N)n1 |r|
BDBM194722 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)c1ccn(CCO)n1 |r|
BDBM194723 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC[C@@H](O)C1 |r|
BDBM194724 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC[C@H](O)C1 |r|
BDBM194725 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CC(O)C1 |r|
BDBM194726 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC(O)CC1 |r|
BDBM194727 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)C(=O)N1CCC(CC1)OC |r|
BDBM194728 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)S(=O)(=O)c1cnn(C)c1 |r|
BDBM194729 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccnn1C |r|
BDBM194730 COCC1(CN[C@@H]2CC2c2ccccc2)CCN(CC1)S(=O)(=O)c1ccn(C)n1 |r|
BDBM193833 OC(=O)c1ccc(CN2CC(CNC3CC3c3ccccc3)C2)cc1
BDBM194640 OC(=O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C#N)CC2)CCC1 |r|
BDBM193838 Fc1ccc(CN2CC(CNC3CC3c3ccccc3)C2)cc1
BDBM193839 OC(=O)c1ccc(CN2CCC(CC2)NC2CC2c2ccccc2)cc1
BDBM193842 OC(=O)c1cccc(CN2CCC(CC2)NC2CC2c2ccccc2)c1
BDBM193843 Fc1ccc(CN2CCC(CC2)NC2CC2c2ccccc2)cc1
BDBM193846 N#Cc1ccc(CN2CC(CNC3CC3c3ccccc3)C2)cc1
BDBM193847 N#Cc1cccc(CN2CC(CNC3CC3c3ccccc3)C2)c1
BDBM193849 Fc1cccc(c1)C(=O)N1CCC(CNC2CC2c2ccccc2)(CC#N)CC1
BDBM193854 Fc1cccc(CN2CCC(CNC3CC3c3ccccc3)(CC#N)CC2)c1
BDBM193863 O[C@H]1CCC(CC1)N1CC[C@@]2(CCCN(C2)C(=O)N2CC(CNC3CC3c3ccccc3)C2)C1=O |r,wU:1.0,wD:10.37,(1.92,-5.67,;3.01,-4.58,;2.61,-3.1,;3.7,-2.01,;5.19,-2.41,;5.59,-3.89,;4.5,-4.98,;6.28,-1.32,;7.82,-1.32,;8.29,.15,;7.05,1.05,;8.38,1.82,;8.38,3.36,;7.05,4.13,;5.71,3.36,;5.71,1.82,;4.38,4.13,;4.38,5.67,;3.05,3.36,;2.65,1.88,;1.16,2.27,;-.17,1.5,;-1.51,2.27,;-2.84,1.5,;-3.61,2.84,;-4.38,1.5,;-5.71,.73,;-7.05,1.5,;-8.38,.73,;-8.38,-.81,;-7.05,-1.58,;-5.71,-.81,;1.56,3.76,;5.8,.15,;4.47,.92,)|
BDBM193871 O[C@H]1CCC(CC1)N1CC[C@]2(CCCN(C2)C(=O)N2CC(CNC3CC3c3ccccc3)C2)C1=O |r,wU:10.37,1.0,(1.92,-5.67,;3.01,-4.58,;2.61,-3.1,;3.7,-2.01,;5.19,-2.41,;5.59,-3.89,;4.5,-4.98,;6.28,-1.32,;7.82,-1.32,;8.29,.15,;7.05,1.05,;8.38,1.82,;8.38,3.36,;7.05,4.13,;5.71,3.36,;5.71,1.82,;4.38,4.13,;4.38,5.67,;3.05,3.36,;2.65,1.88,;1.16,2.27,;-.17,1.5,;-1.51,2.27,;-2.84,1.5,;-3.61,2.84,;-4.38,1.5,;-5.71,.73,;-7.05,1.5,;-8.38,.73,;-8.38,-.81,;-7.05,-1.58,;-5.71,-.81,;1.56,3.76,;5.8,.15,;4.47,.92,)|
BDBM193872 O=C(N1CC(CNC2CC2c2ccccc2)C1)N1CCC(CC1)C#N
BDBM193875 FC(F)(F)C1CCN(CC1)C(=O)N1CC(CNC2CC2c2ccccc2)C1
BDBM193877 O=C(N1CC(CNC2CC2c2ccccc2)C1)N1CCCC(C1)Oc1ccccc1
BDBM194641 OC(=O)[C@H]1CC[C@H](CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C#N)CC2)CC1 |r,wU:14.13,3.2,wD:6.6,(8.82,.36,;8.82,1.9,;10.15,2.67,;7.49,2.67,;6.1,1.92,;4.77,2.7,;4.77,4.23,;3.44,5,;2.1,4.23,;2.1,2.69,;.77,1.92,;-.56,2.69,;-1.9,1.92,;-3.23,2.69,;-4.56,1.92,;-5.33,3.26,;-6.1,1.92,;-7.44,1.15,;-8.77,1.92,;-10.11,1.15,;-10.11,-.39,;-8.77,-1.16,;-7.44,-.39,;-.56,1.15,;.77,.38,;2.1,1.15,;3.44,.38,;3.44,-1.16,;2.1,-1.98,;.77,-1.16,;2.1,-3.52,;2.1,-5.06,;-.56,4.23,;.77,5,;6.1,5.01,;7.44,4.23,)|
BDBM194642 COc1cccc(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3cccc(c3)C(O)=O)CC2)c1 |r|
BDBM50210048 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCSSCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50210049 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CO)C(N)=O |r|
BDBM50210050 CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)OCCCCCCOC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM183448 NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,(11.7,3.85,;10.36,3.08,;10.36,1.54,;9.03,.77,;7.69,1.54,;7.69,3.08,;9.03,3.85,;6.36,.77,;5.03,1.54,;4.26,2.87,;3.49,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.51,-.77,;-.51,.77,;.82,1.54,;-1.85,-1.54,;-1.85,-3.08,;-3.18,-3.85,;-4.52,-3.08,;-4.52,-1.54,;-6.36,-.64,;-7.69,.13,;-6.92,1.47,;-8.46,1.47,;-9.03,-.64,;-9.03,-2.18,;-10.36,-2.95,;-11.7,-2.18,;-11.7,-.64,;-10.36,.13,;-10.36,1.67,;-10.36,3.21,;-3.18,-.77,)|
BDBM183458 NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)N2CCNCC2)c1 |r,wU:10.12,(11.44,3.85,;10.11,3.08,;10.11,1.54,;8.77,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,.77,;4.77,1.54,;4,2.87,;3.23,1.54,;1.9,.77,;1.9,-.77,;.56,-1.54,;-.77,-.77,;-.77,.77,;.56,1.54,;-2.1,-1.54,;-2.1,-3.08,;-3.44,-3.85,;-4.77,-3.08,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-8.21,-2.87,;-6.67,-2.87,;-8.77,-.77,;-8.77,.77,;-10.11,1.54,;-11.44,.77,;-11.44,-.77,;-10.11,-1.54,;-3.44,-.77,)|
BDBM183452 NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
BDBM179443 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM179444 N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |r|
BDBM179445 N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(O)cc1 |r|
BDBM179446 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
BDBM179451 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r|
BDBM179452 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(Cl)cc(Cl)c1 |r|
BDBM179454 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)cc1 |r|
BDBM179455 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(Cl)c1 |r|
BDBM179461 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(F)(F)F |r|
BDBM179466 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(CO)cc1 |r|
BDBM179470 COc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179471 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C#N |r|
BDBM179641 N[C@H]1CC1c1ccc(nc1)-c1cccc(c1)C#N |r|
BDBM179642 Cc1ccc(cc1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179643 Cc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179645 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(O)cc1 |r|
BDBM179647 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(N)=O |r|
BDBM179648 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(N)=O |r|
BDBM179649 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccccc1O |r|
BDBM179651 COc1cc(ccc1C)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179652 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(F)c(O)c1 |r|
BDBM179653 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(F)c1 |r|
BDBM179654 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1F |r|
BDBM179655 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1F |r|
BDBM179670 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(Cl)c1 |r|
BDBM179671 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1F)C(F)(F)F |r|
BDBM179672 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)s1 |r|
BDBM179685 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2sccc2c1 |r|
BDBM179687 Cc1cc(cnc1-c1cccc(Cl)c1)[C@H]1C[C@@H]1N |r|
BDBM179688 Cc1cc(cnc1-c1cccc(c1)C(F)(F)F)[C@H]1C[C@@H]1N |r|
BDBM179689 COc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179690 COc1cc(F)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179691 COc1ccc(F)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179695 COc1cccc(c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179707 COc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179717 COc1ccc(Cl)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179720 COc1cc(cc(c1)C(F)(F)F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179723 COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
BDBM179724 Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179728 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1Cl |r|
BDBM179729 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F |r|
BDBM179734 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1F)C(F)(F)F |r|
BDBM179735 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1Cl)C(F)(F)F |r|
BDBM179737 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
BDBM179739 CC(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179740 CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179742 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc2ccccc2s1 |r|
BDBM179744 N[C@H]1C[C@@H]1c1ccc(nc1)-c1csc2ccccc12 |r|
BDBM179745 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N |r|
BDBM179749 Cc1cscc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179768 COc1cc(cc(F)c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179823 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)c(F)c(F)c1 |r|
BDBM179824 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2cn[nH]c2c1 |r|
BDBM179825 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2c(c1)[nH]c1ccccc21 |r|
BDBM179826 N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc2CC(=O)Nc2c1 |r|
BDBM179828 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
BDBM179829 CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179830 N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)c(O)c1 |r|
BDBM179832 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(O)cc(Cl)c1 |r|
BDBM179833 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
BDBM179835 CS(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179836 CS(=O)(=O)Nc1ccccc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179837 COc1ccc(cc1-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N |r|
BDBM179838 CS(=O)(=O)Nc1ccccc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179839 COc1ccc(cc1-c1ccc(cc1)[C@H]1C[C@@H]1N)C#N |r|
BDBM179840 COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179841 N[C@H]1C[C@@H]1c1ccc(nc1Cl)-c1cccc(c1)C(F)(F)F |r|
BDBM179843 N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(Cl)cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM182862 NC1CCC(CC1)NC1CC1c1ccccc1 |(6.09,2.69,;4.76,1.92,;4.76,.38,;3.43,-.39,;2.09,.38,;2.09,1.92,;3.43,2.7,;.76,-.39,;-.58,.38,;-1.35,1.72,;-2.12,.38,;-3.45,-.39,;-4.78,.38,;-6.12,-.39,;-6.12,-1.93,;-4.78,-2.7,;-3.45,-1.93,)|
BDBM179844 N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(O)cc1)-c1cccc(c1)C(F)(F)F |r|
BDBM179845 N[C@H]1C[C@@H]1c1ccc(nc1-c1ccc(cc1)C(N)=O)-c1cccc(c1)C(F)(F)F |r|
BDBM179846 Cc1nc(ccc1[C@H]1C[C@@H]1N)-c1cccc(c1)C(F)(F)F |r|
BDBM179853 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(ccc1O)C#N |r|
BDBM179854 CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179855 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1O)C#N |r|
BDBM179856 CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179859 COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179860 CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179861 CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179862 CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
BDBM179863 CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179864 CCS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179865 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
BDBM179905 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 |r|
BDBM179906 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
BDBM179933 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(NS(=O)(=O)c2ccc(cc2)C#N)cc(c1)C(F)(F)F |r|
BDBM179934 N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r|
BDBM179935 CNS(=O)(=O)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
BDBM179936 N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1O |r|
BDBM179944 COc1cc(ccc1[C@H]1C[C@@H]1N)-c1cccc(O)c1 |r|
BDBM179973 N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r|
BDBM183436 COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCC(N)CC1)[N+]#[C-] |r,wU:16.19,wD:14.15,(3.03,7.46,;1.69,8.23,;.36,7.46,;-.97,8.23,;-2.31,7.46,;-2.31,5.92,;-.97,5.15,;.36,5.92,;-.97,3.61,;.36,2.84,;.36,1.3,;-.97,.53,;-2.31,1.3,;-2.31,2.84,;-.97,-1.01,;-1.74,-2.34,;-.2,-2.34,;1.13,-3.11,;1.13,-4.65,;-.2,-5.42,;-.2,-6.96,;1.13,-7.73,;1.13,-9.27,;2.46,-6.96,;2.46,-5.42,;-3.64,8.23,;-4.98,9,)|
BDBM179976 N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r|
BDBM179984 N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
BDBM179646 N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1 |r|
BDBM243421 Cc1c(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cnn1C |r|
BDBM243426 Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCN(CCC(O)=O)CC2)s1 |r|
BDBM243427 Cn1cc(NC(=O)c2cc(cs2)C2CC2NC2CCC2)cn1
BDBM243995 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C1CC1 |r|
BDBM243996 Cc1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)no1 |r|
BDBM244001 CCn1cc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)cn1 |r|
BDBM244006 CC(=O)N1CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCC(F)(F)CC1 |r|
BDBM244007 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCN(CC1)C(=O)C1CC1 |r|
BDBM244016 OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
BDBM244027 O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CCC1 |r|
BDBM261741 Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
BDBM261742 Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
BDBM261743 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
BDBM261744 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
BDBM261745 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
BDBM261746 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
BDBM261747 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
BDBM261748 Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
BDBM235063 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)|
BDBM235077 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
BDBM235083 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2cnc3n(C)ncc3c2)n2cncc12
BDBM243410 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NC1CCOCC1 |r|
BDBM227715 CN1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(Nc3cc(Cl)ccc3O)nc2c1
BDBM227716 Oc1ccc(Cl)cc1Nc1nc2cc(ccc2[nH]1)S(=O)(=O)N1CCNCC1
BDBM243413 FC1(F)CCC(CC1)N[C@@H]1C[C@H]1c1cc(cs1)C(=O)NC1CCOCC1 |r|
BDBM243414 Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1 |r|
BDBM243415 Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM243416 Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCOCC2)s1 |r|
BDBM243417 FC1(F)CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM243418 FC(F)(F)CN1CCC(CC1)NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM243419 Cc1ncc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NCC2CCOCC2)s1 |r|
BDBM243420 Cc1nn(C)cc1NC(=O)c1csc(c1)[C@@H]1C[C@H]1NCC1CCOCC1 |r|
BDBM270475 O=C(Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)NS(=O)(=O)c1ccccc1 |r|
BDBM270476 O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270481 CONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270482 CCONC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270483 CCS(=O)(=O)NC(=O)Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270484 CC(C)S(=O)(=O)NC(=O)Cc1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270487 O=C(NS(=O)(=O)C1CC1)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
BDBM270486 CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
BDBM270488 CN(C(=O)\C=C\c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O |r|
BDBM270490 O=C(NS(=O)(=O)C1CC1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
BDBM270491 CN(C(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1)S(C)(=O)=O |r|
BDBM270492 O=C(NS(=O)(=O)c1ccccc1)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r|
BDBM292066 Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
BDBM292067 Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
BDBM292068 Cn1ccc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
BDBM292069 Cn1ncc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
BDBM292070 Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2(CCNC2)CC1
BDBM270442 O=C(NOc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM292071 Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2NCCC2C1
BDBM292072 Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2C1
BDBM292075 Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
BDBM292076 Cn1ncc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
BDBM292077 NC1CCN(CC1)c1nc(c(s1)-c1cnn(CC(F)(F)F)c1)-c1ccc(cc1)C#N
BDBM292078 FC(F)(F)Cn1cc(cn1)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
BDBM292079 NC1CCN(CC1)c1nc(c(s1)-c1cnn(CC2CC2)c1)-c1ccc(cc1)C#N
BDBM292080 N#Cc1ccc(cc1)-c1nc(sc1-c1cnn(CC2CC2)c1)N1CC[C@@H]2CNC[C@@H]2CC1 |r|
BDBM292081 Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
BDBM292082 Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@H](N)C1 |r|
BDBM292083 Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC(N)CC1
BDBM292084 Cc1ccc(cc1)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
BDBM292085 Cn1cnc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1 |r|
BDBM292086 N[C@@H]1CCCN(C1)C(=O)c1nc(c(s1)-c1cnn(CC(F)(F)F)c1)-c1ccc(cc1)C#N |r|
BDBM292087 N[C@@H]1CCCN(C1)C(=O)c1nc(c(s1)-c1cnn(CC2CC2)c1)-c1ccc(cc1)C#N |r|
BDBM292088 NC1CCN(CC1)c1cc(=O)n(-c2ccc(cc2)C2CC2)c(n1)-c1ccc(C#N)c(F)c1
BDBM292089 Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2NCCC2C1
BDBM292090 Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2CNCC2C1
BDBM292091 Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2(CCNC2)CC1
BDBM270443 O=C(NOCc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270444 O=C(NS(=O)(=O)c1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270445 O=C(NS(=O)(=O)Cc1ccccc1)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270446 O=C(NOCc1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
BDBM270447 O=C(NS(=O)(=O)c1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
BDBM270448 O=C(NS(=O)(=O)Cc1ccccc1)\C=C\c1cccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)c1 |r|
BDBM292092 COc1ccc(cc1F)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
BDBM292093 Cn1cc2cc(ccc2n1)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
BDBM292094 COc1ccc(cc1)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
BDBM292095 NC1CCN(CC1)c1cc(=O)n(-c2ccc(C3CC3)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
BDBM292096 Cn1cc2cc(ccc2n1)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
BDBM270453 CN(C(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O |r|
BDBM270454 CC(C)S(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270455 CCCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270456 CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270457 CCS(=O)(=O)NC(=O)\C=C\c1ccc(CN2CCC(CC2)N[C@@H]2CC2c2ccccc2)cc1 |r|
BDBM270460 O=C(NOCc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270461 O=C(NOc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270462 O=C(NS(=O)(=O)Cc1ccccc1)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270463 CN(C(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1)S(C)(=O)=O |r|
BDBM270469 Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM270470 Fc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(CN2CCC(CC2)N[C@@H]2C[C@H]2c2ccccc2)cc1 |r|
BDBM299116 Cc1ccc(cc1)-c1c(cc(CN2CCNCC2)c2ncnn12)-c1ccc(cc1)C#N
BDBM296882 CN(C)CCCN(C)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM292073 Cn1cnc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
BDBM296883 CN1CCCC1CCNc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM267325 Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1ccn(C)c1 |r|
BDBM296884 CN1CCC(CC1)Nc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM296885 CN1CCCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM296887 Cc1ccc(cc1)-c1c(nc(N2CCC3(CNC3)CC2)c2nccn12)-c1ccc(cc1)[N+]#[C-]
BDBM296888 CN(C)[C@@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12 |r|
BDBM296889 CN(C)[C@H]1CCN(C1)C(=O)N(C)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12 |r|
BDBM296890 Cc1ccc(cc1)-c1c(nc(NCCc2csc(N)n2)c2nccn12)-c1ccc(cc1)[N+]#[C-]
BDBM296891 Cc1ccc(cc1)-c1c(nc(C(=O)NCC2CNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-]
BDBM296892 CN1CC(C1)NC(=O)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM296893 [C-]#[N+]c1ccc(cc1)-c1nc(OC[C@@H]2CCNC2)c2nccn2c1-c1ccccc1 |r|
BDBM296894 Clc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
BDBM296960 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3CCC(O)c3c2)n2ccnc12
BDBM283295 Cn1ccc2ccc(cc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283296 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn[nH]c3c2)c1=O)N1CCC(N)CC1
BDBM283297 COc1ccc(cc1)-c1c(nc(N2CC[C@@H](N)[C@@H](F)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283298 COc1ccc(cc1)-c1c(nc(N2CC[C@H](N)[C@H](F)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283299 CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn(C)nc3c2)c(=O)n1C
BDBM283300 CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2cnc(nc2)N(C)C)c(=O)n1C
BDBM283302 CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N(C)C)c(=O)n1C
BDBM283305 CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn[nH]c3c2)c(=O)n1C
BDBM283301 CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)nc2)c(=O)n1C
BDBM283309 CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3n(C)ncc3c2)c(=O)n1C
BDBM283310 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc3[nH]ncc3c2)c1=O)N1CCC(N)CC1
BDBM283311 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(N)cc2)c1=O)N1CCC(N)CC1
BDBM283128 Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283129 COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283134 COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283199 Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283200 COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283215 COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283312 CNc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283313 CNc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283314 COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283316 CCOc1ncc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283317 CCOc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283318 CCOc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283319 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(OCCO)cc2)c1=O)N1CCC(N)CC1
BDBM283217 COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283218 Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283220 CCc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283221 CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)cc2)c(=O)n1C
BDBM283222 CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)c(F)c2)c(=O)n1C
BDBM283223 CCn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
BDBM283321 COCCOc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283322 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(CCO)cc2)c1=O)N1CCC(N)CC1
BDBM283320 Cn1c(nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(OCCO)cc2)c1=O)N1CCC(N)CC1
BDBM283323 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(CO)cc2)c1=O)N1CCC(N)CC1
BDBM283224 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#CC2CCCC2)c1=O)N1CCC(N)CC1
BDBM283225 COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
BDBM283226 COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(N)=O)c1=O)-c1ccc(C#N)c(F)c1
BDBM283227 NC1CCN(CC1)c1nc(cc(=O)n1CCCO)-c1ccc(C#N)c(F)c1
BDBM283228 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3occc3c2)c1=O)N1CCC(N)CC1
BDBM283232 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(Cl)c1=O)N1CCC(N)CC1
BDBM283325 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2cccc(F)c2)c1=O)N1CCC(N)CC1
BDBM283326 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2cc(F)cc(F)c2)c1=O)N1CCC(N)CC1
BDBM283324 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(F)cc2)c1=O)N1CCC(N)CC1
BDBM283327 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(F)c(F)c2)c1=O)N1CCC(N)CC1
BDBM283328 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(cc2)S(C)(=O)=O)c1=O)N1CCC(N)CC1
BDBM283233 CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)nc2)c(=O)n1C
BDBM283234 COc1ccc(cc1F)-c1c(nc(N2CCC3(CCNC3)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283235 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)C(F)(F)F)c1=O)N1CCC(N)CC1
BDBM283236 Cn1cc2cc(ccc2n1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283237 COc1ccc(cc1F)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283238 COc1ncc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283239 COc1ccc(cc1F)-c1c(nc(N2CC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283329 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc(Cl)cc2)c1=O)N1CCC(N)CC1
BDBM283241 COc1ccc(cc1F)-c1c(nc(N2CCC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283242 COc1ccc(cc1F)-c1c(nc(N2CC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283243 COc1ccc(cc1)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283244 COc1ccc(cc1)-c1c(nc(N2CCC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283246 COc1ccc(cc1F)-c1c(nc(N2CCC(C)(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283247 Cn1ncc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283249 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cnn(CC(F)(F)F)c2)c1=O)N1CCC(N)CC1
BDBM283331 Cn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
BDBM283330 COCc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc([N+]#[C-])c(F)c1
BDBM283250 Cn1ncc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283251 Cn1c(nc(-c2ccc(cc2)C#N)c(-c2cnn(CC(F)(F)F)c2)c1=O)N1CCC(N)CC1
BDBM283252 Cn1cc2cc(ccc2n1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283253 COc1c(F)cc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283254 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(cc2)C(O)=O)c1=O)N1CCC(N)CC1
BDBM283255 CNC(=O)c1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283256 Cn1c(nc(-c2ccc(cc2)C#N)c(-c2ccc(C(N)=O)c(F)c2)c1=O)N1CCC(N)CC1
BDBM283332 NC1CCN(CC1)c1nc(cc(=O)n1CC1CC1)-c1ccc(C#N)c(F)c1
BDBM283334 COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(Cl)c(F)c1
BDBM283333 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#C)c1=O)N1CCC(N)CC1
BDBM283336 Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(O)cc1
BDBM283338 Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(F)cc1
BDBM283258 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3C(=O)NCc3c2)c1=O)N1CCC(N)CC1
BDBM283259 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cccc(c2)C(O)=O)c1=O)N1CCC(N)CC1
BDBM283260 COc1ccc(cc1F)-c1c(nc(NC[C@H]2CCNC2)n(C)c1=O)-c1ccc(cc1)C#N |r|
BDBM283261 COc1ccc(cc1F)-c1c(nc(NC[C@@H]2CCNC2)n(C)c1=O)-c1ccc(cc1)C#N |r|
BDBM283263 COc1ccc(cc1F)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283264 COc1ccc(cc1F)-c1c(nc(N2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283265 COc1ccc(cc1F)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283339 Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccccc1
BDBM283340 COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
BDBM283341 Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
BDBM283342 COc1ccc(cc1)-c1nc(N2CCC(N)CC2)n(C)c(=O)c1-c1ccc2n(C)ccc2c1
BDBM283343 COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1cccc(c1)C#N
BDBM283344 COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccccc1C#N
BDBM283345 COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)C#N
BDBM283266 CN(C)c1ncc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283267 CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283268 COc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283269 COc1ccc(cc1)-c1c(nc(NC[C@@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283270 COc1ccc(cc1)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283271 COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283272 COc1ccc(cc1)-c1c(nc(N(C)C2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283347 COc1ccc(cc1)-c1c(nc([nH]c1=O)N1CCC(N)CC1)-c1ccc([N+]#[C-])c(F)c1
BDBM283273 COc1ccc(cc1)-c1c(nc(N(C)C[C@@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
BDBM283274 CN(C)c1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283275 CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)nc2)c(=O)n1C
BDBM283276 CN(C)c1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283277 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N2CCCC2)c1=O)N1CCC(N)CC1
BDBM283278 COc1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283279 COc1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283280 CN(C)c1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283281 COc1ccc(cc1)-c1c(nc(N2CC(N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283282 CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3nn(C)cc3c2)c(=O)n1C
BDBM283283 Cn1cc2cc(ccc2n1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283284 CN(C)c1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
BDBM283285 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N2CCOCC2)c1=O)N1CCC(N)CC1
BDBM283286 COc1ccc(cc1)-c1c(nc(N2CC(CN)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283289 CNCC1CN(C1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)cc2)c(=O)n1C
BDBM283290 CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3nn(C)cc3c2)c(=O)n1C
BDBM283291 CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3n(C)ncc3c2)c(=O)n1C
BDBM283292 Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(-c2ccc3[nH]ccc3c2)c1=O)N1CCC(N)CC1
BDBM283293 Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
BDBM283294 Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cc[nH]c3c2)c1=O)N1CCC(N)CC1
BDBM296881 CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM296870 Cc1ccc(cc1)-c1c(nc(CO[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
BDBM296871 CN(C)[C@H]1CCN(Cc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM296872 CN(C)[C@@H]1CCN(Cc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM296873 CN(C)[C@@H]1CCN(CCc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM296874 CN1CCC(C1)Oc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM296875 CN(C)CCCOc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
BDBM296876 Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
BDBM296877 Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
BDBM296878 CN1CC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM296879 CN1CCC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
BDBM296880 Cc1ccc(cc1)-c1c(nc(SC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|