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302 SMILES Strings for Leucine-rich repeat serine/threonine-protein kinase 2 G2019S

Compound NameSMILES String
BDBM50434069 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
BDBM50441090 CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM185426 CC1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185385 COCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185459 Cc1nc(no1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185512 Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185388 FC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185392 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3cc[nH]n3)c12
BDBM50059259 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059277 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059281 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059290 Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059301 CN(C)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059310 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3ccno3)c12
BDBM50059311 C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059312 Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059313 Cn1ccc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059314 N#Cc1cccc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059345 Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059346 COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059348 CCN(CC)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059350 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
BDBM50059353 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
BDBM50059420 COCC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059422 COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059307 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059318 Fc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM50059347 C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185425 CN(C)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185427 CN(C)c1ncnc2[nH]cc(-c3cc(ccc3F)[N+]#[C-])c12
BDBM185429 CN(C)c1ncnc2[nH]cc(-c3cc(F)cc(c3)C#N)c12
BDBM185476 NC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185477 FC(F)c1nc(CC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)no1
BDBM185478 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3nccs3)c12
BDBM185479 O=C1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185480 OCC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185481 Oc1cccc(c1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185574 CN(C)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
BDBM185575 FC(F)c1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(c1)C#N
BDBM185576 C1CC=C(CO1)c1c[nH]c2ncnc(N3CCOCC3)c12 |c:2|
BDBM185577 C1COC=C(C1)c1c[nH]c2ncnc(N3CCOCC3)c12 |c:3|
BDBM185578 C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)-c3ncon3)c12
BDBM185579 Cc1cc(on1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185482 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3noc(n3)C3CC3)c12
BDBM185483 FC1(F)CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185484 N#Cc1cccc(OCC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)c1
BDBM185485 OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185486 NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185487 CCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185488 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3ccncn3)c12
BDBM185489 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3nc(no3)C3CC3)c12
BDBM185490 CN(C)CC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185491 N#Cc1cccc(c1)-c1c[nH]c2ncnc(Nc3cn[nH]c3)c12
BDBM185492 Cc1nc(CC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)no1
BDBM185493 Cc1nnc(o1)C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185494 COc1cc(cc(c1)-c1c[nH]c2ncnc(N(C)C)c12)C#N
BDBM185495 CCn1cc(cn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185496 Clc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185497 COc1cncc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185498 Cc1nn(C)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185499 C[C@H]1COCCN1c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185500 Cc1nc(N2CCOCC2)c2c(c[nH]c2n1)-c1cccc(C#N)c1F
BDBM185501 O[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185502 OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12
BDBM185503 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C3)c3noc(C)n3)c12
BDBM185504 FC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185505 COc1ccccc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185506 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185508 Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185509 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185510 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185511 COc1ccccc1-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185370 CC1(C)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185371 NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185513 COCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185514 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC3)c12
BDBM185515 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12 |r|
BDBM185372 O[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185373 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |r|
BDBM185374 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185375 C1CCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185376 OCC1CCN(CC1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185377 OCc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)[N+]#[C-])c12
BDBM185378 [C-]#[N+]C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185519 COc1ccccc1-c1c[nH]c2ncnc(N(C)C)c12
BDBM185521 COc1ccccc1-c1c[nH]c2ncnc(N3CC[C@H](F)C3)c12 |r|
BDBM185522 COc1ccccc1-c1c[nH]c2ncnc(N3CCCC3)c12
BDBM185523 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N(C)C)c12
BDBM185524 OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185525 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCO[C@@H](C)C3)c12 |r|
BDBM185380 COc1ccc(cc1-c1c[nH]c2ncnc(N3CCCC(C)C3)c12)[N+]#[C-]
BDBM185381 COc1ccc(cc1-c1c[nH]c2ncnc(N(C)C)c12)[N+]#[C-]
BDBM185379 C[C@H]1C[C@@H](C)CN(C1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185382 COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N(C)C)c12
BDBM185383 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC(CC3)c3ncc[nH]3)c12
BDBM185384 CN1CCC2(CC1)CN(CCO2)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185432 Fc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
BDBM185433 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185526 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12 |r|
BDBM185527 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
BDBM185528 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12 |r|
BDBM185529 COc1ccc(F)cc1-c1c[nH]c2ncnc(N(C)C)c12
BDBM185530 Fc1c(cccc1-c1c[nH]c2ncnc(N3CCCC3)c12)C#N
BDBM185531 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CC[C@H](F)C3)c12 |r|
BDBM185532 Cc1nc(no1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185386 CN(C)C(=O)CCNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185387 FC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185390 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC(CC3)c3cc[nH]n3)c12
BDBM185391 F[C@H]1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185434 N#Cc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185435 Fc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185436 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185437 Fc1ccc(F)c(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185438 Fc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
BDBM185439 Fc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185440 OCc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
BDBM185534 Cc1ccnc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185535 COc1cccc(F)c1-c1c[nH]c2ncnc(N(C)C)c12 |(4.3,-1.64,;2.81,-1.24,;2.41,.25,;3.5,1.34,;3.1,2.83,;1.61,3.23,;.53,2.14,;-.96,2.54,;.92,.65,;-.17,-.44,;.74,-1.69,;-.17,-2.93,;-1.63,-2.46,;-2.96,-3.23,;-4.3,-2.46,;-4.3,-.92,;-2.96,-.15,;-2.96,1.39,;-1.63,2.16,;-4.3,2.16,;-1.63,-.92,)|
BDBM185536 COc1cccc(F)c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(4.3,-2.26,;2.81,-1.86,;2.41,-.37,;3.5,.72,;3.1,2.2,;1.61,2.6,;.53,1.51,;-.96,1.91,;.92,.02,;-.17,-1.06,;.74,-2.31,;-.17,-3.56,;-1.63,-3.08,;-2.96,-3.85,;-4.3,-3.08,;-4.3,-1.54,;-2.96,-.77,;-2.96,.77,;-4.3,1.54,;-4.3,3.08,;-2.96,3.85,;-1.63,3.08,;-1.63,1.54,;-1.63,-1.54,)|
BDBM185538 Cc1cc(sn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185393 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)c3cc[nH]n3)c12
BDBM185394 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)c3ncc[nH]3)c12
BDBM185395 CN1CCCC(C1)Nc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185396 O=C1CC2(CN1)CCCN(C2)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185397 CC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185441 Fc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c(F)c1
BDBM185442 Fc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185443 Fc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185444 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185445 Clc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185446 Cc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185447 OCc1cc(ccc1F)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185539 COc1ccc(F)c(Cl)c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(4.3,-2.38,;2.81,-1.98,;2.41,-.49,;3.5,.6,;3.1,2.08,;1.61,2.48,;1.22,3.97,;.53,1.39,;-.74,1.73,;.92,-.09,;-.17,-1.18,;.74,-2.43,;-.17,-3.68,;-1.63,-3.2,;-2.96,-3.97,;-4.3,-3.2,;-4.3,-1.66,;-2.96,-.89,;-2.96,.65,;-4.3,1.42,;-4.3,2.96,;-2.96,3.73,;-1.63,2.96,;-1.63,1.42,;-1.63,-1.66,)|
BDBM185544 Cc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185398 N#Cc1cccc(c1)-c1c[nH]c2ncnc(NCCN3CCOCC3)c12
BDBM185399 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC4(CCOC4)C3)c12
BDBM185400 CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185401 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4[nH]ncc4c3)c12 |r|
BDBM185402 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)S(N)(=O)=O)c12 |r|
BDBM185403 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3F)c12 |r|
BDBM185448 Fc1ccc(cc1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185449 OCc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185450 COc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185451 CSc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185452 C1CN(CCO1)c1ncnc2[nH]cc(-c3cccnc3)c12
BDBM185453 C1CN(CCO1)c1ncnc2[nH]cc(-c3cncc4ccccc34)c12
BDBM185454 Brc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185545 O=c1cc(cc[nH]1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185546 C1CN(CCO1)c1ncnc2[nH]cc(-c3cnc4sccn34)c12
BDBM185547 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3C[C@@H]4CCO[C@@H]4C3)c12 |r|
BDBM185548 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3C[C@@H]4COC[C@@H]4C3)c12 |r|
BDBM185549 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCO[C@H]4CCC[C@@H]34)c12 |r|
BDBM185550 [C-]#[N+]C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185551 CC1(C)CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185404 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc4[nH]ncc34)c12 |r|
BDBM185405 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc(F)c(C)c3)c12 |r|
BDBM185406 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4C(=O)NCc4c3)c12 |r|
BDBM185407 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccnc3)c12 |r|
BDBM185408 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12 |r|
BDBM185409 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc4[nH]ccc4c3)c12 |r|
BDBM185410 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4CNC(=O)c4c3)c12 |r|
BDBM185455 Cc1ccc(Cl)c(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185456 Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185457 OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185458 Cc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185460 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4CC(C3)O4)c12
BDBM185461 Clc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185552 N#Cc1ccc(s1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185553 C1CN(CCO1)c1ncnc2[nH]cc(-c3cnc4cccnn34)c12
BDBM185556 NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185557 C1CN(CCO1)c1ncnc2[nH]cc(-c3cnn4cccnc34)c12
BDBM185558 Cn1cc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185411 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc4cc[nH]c4c3)c12 |r|
BDBM185412 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(O)cc3)c12 |r|
BDBM185413 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(cc3)C(N)=O)c12 |r|
BDBM185414 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12 |r|
BDBM185415 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cc(C)cnc3Cl)c12 |r|
BDBM185416 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C(N)=O)c12 |r|
BDBM185417 FC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185462 COc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
BDBM185463 COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185464 Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cnn(C)c1
BDBM185465 COc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185466 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCSCC3)c12
BDBM185467 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185468 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185559 Cc1nc2sccn2c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(-1.37,2.52,;-.04,1.75,;1.21,2.66,;2.45,1.75,;3.99,1.75,;4.47,.29,;3.22,-.62,;1.98,.29,;.44,.29,;-.33,-1.05,;.57,-2.29,;-.33,-3.54,;-1.8,-3.06,;-3.13,-3.83,;-4.47,-3.06,;-4.47,-1.52,;-3.13,-.75,;-3.13,.79,;-1.8,1.56,;-1.8,3.1,;-3.13,3.87,;-4.47,3.1,;-4.47,1.56,;-1.8,-1.52,)|
BDBM185560 Cn1cc(nc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185418 CC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185419 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C(O)=O)c12 |r|
BDBM185420 CNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185421 COc1ccc(cc1-c1c[nH]c2ncnc(N3C[C@@H](C)C[C@@H](C)C3)c12)C#N |r|
BDBM185422 COc1ccc(cc1-c1c[nH]c2ncnc(N3CCC[C@H](C)C3)c12)C#N |r|
BDBM185423 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12 |r|
BDBM185424 CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185469 C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185470 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
BDBM185471 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCOC(CO)C3)c12
BDBM185472 Cc1ccc(OCC2CN(CCO2)c2ncnc3[nH]cc(-c4cnn(C)c4)c23)cn1
BDBM185473 CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
BDBM185474 CN(C1CC1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
BDBM185475 FC1(F)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185570 Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(c1)C#N
BDBM185571 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
BDBM185572 C1CN(CCO1)c1ncnc2[nH]cc(-c3cn[nH]c3)c12
BDBM185573 Cc1nc(N2CCOCC2)c2c(c[nH]c2n1)-c1cccc(c1)C#N
BDBM234860 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)C=C)c3)c2cc1OC
BDBM234862 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)CC(C)C)c3)c2cc1OC
BDBM234863 COc1cc2ncnc(Nc3cccc(NS(C)(=O)=O)c3)c2cc1OC
BDBM234865 CCCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
BDBM234866 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2cc1OC
BDBM234867 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)c4cccs4)c3)c2cc1OC
BDBM234868 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)CC(F)(F)F)c3)c2cc1OC
BDBM234869 CCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
BDBM254918 COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM254919 Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM254920 CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM254921 N#Cc1c[nH]c2nccc(-c3ccsc3)c12
BDBM254922 N#Cc1c[nH]c2nccc(-c3ccc(CN4CCOCC4)cc3)c12
BDBM254923 N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
BDBM254924 Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
BDBM254925 CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12
BDBM254926 CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
BDBM254927 COc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
BDBM254928 Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
BDBM254929 Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
BDBM254930 Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
BDBM254931 Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM254932 Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM254933 Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1
BDBM254934 N#Cc1c[nH]c2nc(Nc3ccccn3)cc(-c3ccccc3)c12
BDBM254935 Cc1cncc(c1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
BDBM254936 Cc1ccnc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
BDBM254937 Cc1cn(C)nc1Nc1cc(-c2cccc(C)n2)c2c(c[nH]c2n1)C#N
BDBM254938 Cc1cccc(n1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
BDBM254939 Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM254940 Cc1cn(C)nc1Nc1cc(-c2ccnc(C)c2)c2c(c[nH]c2n1)C#N
BDBM161987 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM161988 CN1CCC(CC1)Nc1ncncc1-c1cnc2[nH]nc(C)c2c1
BDBM162018 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(F)cc4)C3)cc12
BDBM162019 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(F)c(F)c4)C3)cc12
BDBM162020 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(Cl)cc4)C3)cc12
BDBM162026 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(Cl)c(Cl)c4)C3)cc12
BDBM162034 CN1CCN(CCOc2cncc(n2)-c2cnc3[nH]nc(C)c3c2)CC1
BDBM162039 Cc1n[nH]c2ncc(cc12)-c1cncc(Cl)n1
BDBM162035 CN1CCC(CC1)C(=O)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162041 Cc1n[nH]c2ncc(cc12)-c1cnccn1
BDBM162045 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCCC1=O
BDBM162228 CN1CCC(C1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162229 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCC(F)(F)C1
BDBM162230 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCN(CCO)CC1
BDBM162232 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)C(=O)N1CCNCC1
BDBM162233 CN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162246 CN(C)CCNc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162250 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162327 Cc1n[nH]c2ncc(cc12)-c1nccnc1N1CCCC1
BDBM162328 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)C(=O)N1CCCCC1
BDBM162331 Cc1n[nH]c2ncc(cc12)-c1cncc(NC2CCN(CCO)CC2)n1
BDBM162332 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCNC(=O)C1
BDBM162333 CC(C)N1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162334 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCc2ccccc12
BDBM162335 Cc1n[nH]c2ncc(cc12)-c1cncc(Nc2cccc(c2)N2CCCC2=O)n1
BDBM162336 CN1CCC(CC1)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM162337 CN1CCC(CC1)Nc1cccc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162338 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
BDBM162340 Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM162341 CN(C)S(=O)(=O)c1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM162343 Cn1cc(cn1)-c1cnc2[nH]ncc2c1
BDBM162344 CCOC(=O)c1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM162345 CN1CCN(Cc2cccc(c2)-c2cnc3[nH]nc(C)c3c2)CC1
BDBM162346 CN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162347 OCCN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162348 CN(C)CCNc1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162349 C1CCN(C1)c1nccnc1-c1cnc2[nH]ccc2c1
BDBM162350 CN1CC(C1)Nc1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162351 O=C1CCCN1c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162352 O=C1CN(CCN1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162353 C1Cc2ccccc2N1c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162354 FC1(F)CCN(C1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162355 OC1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162356 O=C(N1CCCCC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162357 CN1CCN(CC1)C(=O)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162360 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]cc(F)c2c1
BDBM162358 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162359 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]cc(Cl)c2c1
BDBM162361 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162362 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]cc(Cl)c2c1
BDBM163551 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]cc(F)c2c1
BDBM163579 C1CN(CCO1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM164048 Clc1c[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
BDBM164205 Cc1n[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
BDBM164197 Fc1c[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
BDBM164198 CN1CCN(Cc2cccc(c2)-c2cnc3[nH]ccc3c2)CC1
BDBM164206 Cc1n[nH]c2ncc(cc12)-c1cccc(CC#N)c1
BDBM164207 CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]nc(C)c2c1
BDBM164214 Cc1n[nH]c2ncc(Nc3cccc(CN4CCN(CCO)CC4)c3)cc12
BDBM164216 CN1CCN(Cc2ccc(Nc3cnc4[nH]nc(C)c4c3)cc2)CC1
BDBM164233 CN1CCN(CC1)c1ccc(Nc2cnc3[nH]nc(C)c3c2)cc1F
BDBM164236 COc1ccccc1-c1n[nH]c2ncc(cc12)-c1ccoc1
BDBM164234 Cc1n[nH]c2ncc(Nc3cncc(Cl)n3)cc12
BDBM164235 COc1ccccc1-c1n[nH]c2ncc(cc12)-c1ccsc1
BDBM199090 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1