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3400 SMILES Strings for Receptor tyrosine-protein kinase erbB-2

Compound NameSMILES String
BDBM291522 Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
BDBM3032 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM3294 Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM3556 CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
BDBM3535 CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
BDBM4296 Oc1ccc(\C=C(/C#N)C(=O)c2ccccc2)cc1O
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4299 Oc1ccc(\C=C(/C#N)C(=O)c2cccs2)cc1O
BDBM4363 NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
BDBM4293 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
BDBM4294 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(F)cc2)cc1O
BDBM4295 Cc1ccc(cc1)C(=O)C(=C\c1ccc(O)c(O)c1)\C#N
BDBM4297 Oc1ccc(\C=C(/C#N)C(=O)c2ccccc2Cl)cc1O
BDBM4298 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(cc2)[N+]([O-])=O)cc1O
BDBM4300 Cc1cc(C)c(C(=O)C(=Cc2ccc(O)c(O)c2)C#N)c(C)c1 |w:9.9|
BDBM4301 NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
BDBM4302 C[C@@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 |r|
BDBM4303 Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O
BDBM4304 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O
BDBM4306 Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
BDBM4307 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1O
BDBM4308 Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O
BDBM4309 CCOC(=O)C(Cc1ccccc1)NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
BDBM4310 Oc1ccc(\C=C(/C#N)C(=O)NC2CCCCC2)cc1O
BDBM4312 COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
BDBM4313 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O
BDBM4314 Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
BDBM4316 Cc1cccc(C)c1NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
BDBM4777 Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4626 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
BDBM4566 CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4567 Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
BDBM4568 CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4569 CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4570 CCCN(CCC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4571 CC(C)N(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4572 CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C(C)C
BDBM4573 CN(CC=C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4574 Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCCCC4)cc23)c1
BDBM4575 Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCOCC4)cc23)c1
BDBM4576 Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)c1
BDBM4577 COC[C@@H]1CCCN1CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
BDBM4578 CCN1CCN(CC#CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1
BDBM4579 COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4580 COCCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4581 COCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4582 OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4583 CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4584 CCN(CC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4585 CCCN(CCC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4586 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCCCC4)cc23)c1
BDBM4587 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCOCC4)cc23)c1
BDBM4588 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCSCC4)cc23)c1
BDBM4589 COC[C@@H]1CCCN1C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
BDBM4590 COC[C@H]1CCCN1C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
BDBM4591 COCCN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4592 CN(CCO)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4593 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCC(CC4)N4CCCCC4)cc23)c1
BDBM4594 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\Cn4cccn4)cc23)c1
BDBM4595 CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4596 C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4597 COC\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4598 CN1CCC=C(C1)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |c:4|
BDBM4599 Brc1cccc(Nc2ncnc3ccc(NC(=O)C(=C)CN4CCOCC4)cc23)c1
BDBM4600 CN(C)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4601 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\N4CCOCC4)cc23)c1
BDBM4602 C\C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM4603 COC[C@@H]1CCCN1C\C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM4882 Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
BDBM4810 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
BDBM5450 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM5451 COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM5452 C=CCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM5453 CS(=O)(=O)CCNCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM5454 CN(CCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1)CCS(C)(=O)=O
BDBM5455 FC(F)(F)C(=O)NCCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM5456 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
BDBM5457 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM5458 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(cc3)S(=O)(=O)c3ccccc3)c2c1
BDBM5459 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5460 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1
BDBM5439 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM5440 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM5441 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1
BDBM5442 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1
BDBM5443 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1
BDBM5444 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5448 Oc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM5449 CS(=O)(=O)CCN(CCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1)C(=O)C(F)(F)F
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13246 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1
BDBM13268 Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM13900 CCOC(=O)c1cn2ncnc(Nc3ccc(F)c(Cl)c3)c2c1CC
BDBM13901 CCOC(=O)c1cn2ncnc(Nc3cccc(Br)c3)c2c1CC
BDBM13902 CCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC
BDBM13903 CCOC(=O)c1cn2ncnc(N[C@H](C)c3ccccc3)c2c1CC |r|
BDBM13904 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
BDBM13905 CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC
BDBM13906 CCOC(=O)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnn2c1
BDBM13907 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
BDBM13908 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C(C)C
BDBM13909 CCCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCC
BDBM13910 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1Cc1ccccc1
BDBM13911 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O
BDBM13912 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(N)=O
BDBM13913 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NC
BDBM13914 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)N(C)C
BDBM13915 CCc1c(NC(=O)OCc2ccccc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM13916 CCc1c(CO)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM13917 CCNCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
BDBM13918 CCOCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
BDBM13919 CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM13920 CCc1c(CC(O)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM13921 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NCCCn1ccnc1
BDBM13922 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCCCn1ccnc1
BDBM13923 CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM15374 CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12
BDBM15359 CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17016 Cc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
BDBM17015 O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM17747 CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM22984 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27879 Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM28518 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCNCC3)cc2Cl)c1 |r|
BDBM28519 CS(=O)(=O)CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28489 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
BDBM28490 Clc1cc(Nc2ncnc3cc(sc23)C#C[C@@H]2C[C@H](CN2)OC(=O)N2CCOCC2)ccc1OCc1ccccn1 |r|
BDBM28491 Clc1cc(Nc2ncnc3cc(sc23)C#C[C@@H]2C[C@H](CN2)OC(=O)N2CCOCC2)ccc1OCc1cscn1 |r|
BDBM28492 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cn2)c1 |r|
BDBM28501 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2s1)N1CCOCC1 |r|
BDBM28502 Fc1cccc(Cn2ncc3cc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)ccc23)c1 |r|
BDBM28520 CCNC(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28521 CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28522 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3C[C@@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
BDBM28523 CCNC(=O)O[C@@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28524 CN(C)C(=O)O[C@@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28525 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
BDBM28503 Fc1ccc(F)c(Cn2ncc3cc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)ccc23)c1 |r|
BDBM28504 CC(c1cccc(F)c1)n1ncc2cc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)ccc12 |r|
BDBM28505 Fc1cccc(c1)S(=O)(=O)n1ncc2cc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)ccc12 |r|
BDBM28506 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3cccs3)c2s1)N1CCOCC1 |r|
BDBM28507 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2s1)N1CCOCC1 |r|
BDBM28508 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(CCc5ccccc5)ccc4c3)c2s1)N1CCOCC1 |r|
BDBM28493 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4c(Oc5ccccn5)cccc4c3)c2s1)N1CCOCC1 |r|
BDBM28494 Clc1cc(Nc2ncnc3cc(sc23)C#C[C@@H]2C[C@H](CN2)OC(=O)N2CCOCC2)ccc1Oc1ccccn1 |r|
BDBM28495 Cc1cc(Oc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)no1 |r|
BDBM28496 Fc1ccc2nccc(Oc3ccc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)cc3Cl)c2c1 |r|
BDBM28497 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(NCc3cccc(Oc4ccccc4)c3)c2s1)N1CCOCC1 |r|
BDBM28498 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2s1)N1CCOCC1 |r|
BDBM28499 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(Sc4ccccn4)cc3)c2s1)N1CCOCC1 |r|
BDBM28500 Fc1cccc(Sc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
BDBM28509 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5cscn5)ccc4c3)c2s1)N1CCOCC1 |r|
BDBM28510 Fc1cn(Cc2ccccc2)c2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc12 |r|
BDBM28511 NC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28512 CNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28513 CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28514 CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28515 CCN(CC)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28516 CCN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28517 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCCC3)cc2Cl)c1 |r|
BDBM28526 CCNC(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28527 CN(C)C(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM28528 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
BDBM27961 Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:29.37,wD:26.30,(-3.15,6.99,;-3.15,5.45,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,)|
BDBM27962 Nc1ncnc2n(nc(-c3ccc4nc(Cc5cccs5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:28.36,wD:25.29,(-3.15,6.99,;-3.15,5.45,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;7.59,11.42,;8.58,10.23,;7.76,8.93,;6.26,9.31,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,)|
BDBM27963 Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5Cl)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:30.38,wD:27.31,(-3.15,6.99,;-3.15,5.45,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,)|
BDBM27964 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
BDBM27965 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCNCC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
BDBM27966 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;5.22,-6.55,;4.55,-7.94,;6.75,-6.43,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
BDBM27967 CCOC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 |r,wU:11.11,wD:14.18,(3.22,-10.25,;4.55,-9.48,;4.55,-7.94,;5.22,-6.55,;6.75,-6.43,;4.35,-5.28,;2.81,-5.4,;1.94,-4.13,;2.6,-2.74,;4.14,-2.62,;5.01,-3.89,;1.83,-1.41,;.29,-1.34,;-.41,.03,;.42,1.33,;1.96,1.26,;2.66,-.11,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;8.83,13.92,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;-3.15,5.45,;-3.15,6.99,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,)|
BDBM27968 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(=O)N(C)C)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;5.22,-6.55,;6.75,-6.43,;4.55,-7.94,;4.55,-9.48,;3.05,-7.6,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
BDBM27969 COCCCN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 |r,wU:11.11,wD:14.18,(10.03,-8.85,;9.16,-7.58,;7.62,-7.7,;6.75,-6.43,;5.22,-6.55,;4.35,-5.28,;2.81,-5.4,;1.94,-4.13,;2.6,-2.74,;4.14,-2.62,;5.01,-3.89,;1.83,-1.41,;.29,-1.34,;-.41,.03,;.42,1.33,;1.96,1.26,;2.66,-.11,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;8.83,13.92,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;-3.15,5.45,;-3.15,6.99,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,)|
BDBM27970 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC3CC3)CC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.22,-6.55,;6.75,-6.43,;8.01,-5.54,;8.15,-7.08,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
BDBM27971 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1
BDBM27972 C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM27973 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|
BDBM27974 Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM27975 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1
BDBM27976 C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r|
BDBM27977 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|
BDBM27978 Nc1cnc(cn1)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32184 Oc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM32185 COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O |c:13|
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM50576 COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
BDBM86638 O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
BDBM92453 CC(C)([O-])CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM92454 [O-]CCOCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM97672 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23.26,26.33,(-3.76,2.88,;-3.76,1.34,;-5.09,.57,;-5.09,-.97,;-3.76,-1.74,;-2.43,-.97,;-.96,-1.45,;-.06,-.2,;-.96,1.05,;-.56,2.53,;.92,2.93,;1.32,4.42,;.23,5.51,;.63,7,;2.12,7.4,;3.21,6.31,;4.7,6.7,;5.09,8.19,;4.01,9.28,;2.52,8.88,;-1.25,5.11,;-1.65,3.62,;-2.43,.57,;-.56,-2.93,;-1.65,-4.02,;-1.25,-5.51,;.23,-5.91,;1.32,-4.82,;.92,-3.33,;.63,-7.4,;2.12,-7.79,;2.52,-9.28,;3.21,-6.7,;4.7,-7.1,)|
BDBM50179503 Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
BDBM50179505 CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50179507 Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCCCC5)cc34)cc2Cl)c1
BDBM50179506 Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)NCCN5CCCCC5)cc34)cc2Cl)c1
BDBM50179496 Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1
BDBM47167 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM106870 C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
BDBM107057 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM112499 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
BDBM112500 FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
BDBM112501 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
BDBM112502 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC(F)C1
BDBM112503 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
BDBM112504 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1
BDBM139991 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r|
BDBM50012070 CC1=CC(=O)c2c(O)cccc2C1=O |t:1|
BDBM50054654 Nc1ncnc2n(nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
BDBM50036699 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6])c1-[#8]
BDBM50036700 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O
BDBM50036702 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O
BDBM50036679 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O
BDBM50036680 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O
BDBM50036681 COc1cc(\C=C(/C#N)C(N)=O)cc(CSC2=NCCS2)c1O |t:16|
BDBM50036683 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3cc(Cl)ccc3s2)c1O
BDBM50036684 [#6]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8])c1-[#8]
BDBM50036686 NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
BDBM50036687 COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O
BDBM50036688 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O
BDBM50036689 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2)c1-[#8]
BDBM50036691 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O
BDBM50036694 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O
BDBM50036695 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2-[#6](-[#8])=O)c1-[#8]
BDBM50036696 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8]
BDBM50036697 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O
BDBM50036698 COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O
BDBM50039654 Clc1ccc2cc(cnc2c1)-c1ccncc1
BDBM50039655 COc1cc(OC)c2cc(cnc2c1)-c1ccncc1
BDBM50039650 COc1cc2cc(cnc2cc1OC)-c1ccncc1
BDBM50039651 Oc1cc2cc(cnc2cc1O)-c1ccncc1
BDBM50007744 Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
BDBM50007745 Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
BDBM50057300 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1S
BDBM50065291 CCc1ccc(\C=C2\C(=O)Nc3ccccc23)o1
BDBM50065292 Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(C)cc23)[nH]1
BDBM50065293 C\C(=C1/C(=O)Nc2ccccc12)c1ccc(cc1)N1CCCCC1
BDBM50065294 CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)cc1
BDBM50065295 CCc1ccc(\C=C2/C(=O)Nc3ccccc23)s1
BDBM50065296 COc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50065297 CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50065298 CN(C)c1ccc(\C=C2/C(=O)Nc3cc(F)ccc23)cc1
BDBM50065299 Brc1ccc2NC(=O)\C(=C/c3ccc(cc3)N3CCN(CC3)C=O)c2c1
BDBM50065300 Cn1cccc1\C=C1/C(=O)Nc2ccccc12
BDBM50065301 O=C1Nc2ccccc2\C1=C/c1ccco1
BDBM50065302 Fc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
BDBM50065303 CCc1c(C)c(C)[nH]c1\C=C1/C(=O)Nc2ccccc12
BDBM50065304 Oc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50065305 Brc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50065306 O=CN1CCN(CC1)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50065307 CC(C)c1cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc(C(C)C)c1O
BDBM50065308 CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
BDBM50065309 Cc1ccc(\C=C2\C(=O)Nc3ccccc23)o1
BDBM50065310 Brc1ccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c2c1
BDBM50065311 Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
BDBM50065312 Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c12
BDBM50065313 COc1c(Br)cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1C(C)(C)C
BDBM50065271 CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
BDBM50065314 O=C1Nc2ccccc2\C1=C\c1ccc(cc1)N1CCCC1
BDBM50065315 CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
BDBM50065316 CN1C(=O)\C(=C/c2ccc(Br)cc2)c2ccccc12
BDBM50065272 Brc1ccsc1\C=C1/C(=O)Nc2ccccc12
BDBM50065273 CSc1ccc(\C=C2/C(=O)Nc3ccccc23)s1
BDBM50065317 Clc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM50065318 COc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1C(C)(C)C
BDBM50065319 Brc1csc(\C=C2/C(=O)Nc3ccccc23)c1
BDBM50065274 CSc1ccc(\C=C2/C(=O)Nc3cccc(C)c23)s1
BDBM50065275 CC(C)(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(c1O)C(C)(C)C
BDBM50065276 O=C1Nc2ccccc2\C1=C\c1ccc(cc1)N1CCCCC1
BDBM50065277 Clc1ccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c2c1
BDBM50065278 COc1ccc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1C(C)(C)C
BDBM50065279 Cn1cc(Cl)c(\C=C2/C(=O)Nc3ccccc23)n1
BDBM50065280 O=C1Nc2ccccc2\C1=C\c1ccc(cc1)N1CCOCC1
BDBM50065281 OC(=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50065282 Cc1cc(C)c(\C=C2/C(=O)Nc3cc(F)ccc23)[nH]1
BDBM50065283 CCOC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
BDBM50065284 Clc1cn[nH]c1C=C1C(=O)Nc2ccccc12 |w:6.6|
BDBM50065285 COc1c(Br)cc(\C=C2/C(=O)Nc3ccccc23)cc1C(C)(C)C
BDBM50065286 CCc1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
BDBM50065287 [O-][N+](=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM50065288 Cc1cc(C)c(\C=C2/C(=O)Nc3cccc(C)c23)[nH]1
BDBM50065289 COC(=O)CCc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
BDBM50065290 Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)N3CCN(CC3)C=O)c12
BDBM50077231 Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Br
BDBM50077232 C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM50077233 Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
BDBM50077234 Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Br
BDBM50077235 Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Cl
BDBM50077236 Cc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
BDBM50077238 Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br
BDBM50077240 C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1
BDBM50077241 Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Cl
BDBM50077242 Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl
BDBM50077244 Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
BDBM50082539 COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO
BDBM50087066 Fc1ccc(Nc2ncnc3cc(CCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl
BDBM50087069 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl
BDBM50087071 CN1CCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3nc2NC(=O)C=C)CC1
BDBM50087072 CN(C(=O)C=C)c1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
BDBM50087073 Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1
BDBM50087076 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Br
BDBM50087077 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C
BDBM50087082 Fc1ccc(Nc2ncnc3cc(\C=C\CCN4CCOCC4)c(NC(=O)C=C)nc23)cc1Cl
BDBM50095273 CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC
BDBM50099959 C(c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1)c1ccccc1
BDBM50099960 COc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1OC
BDBM50099961 COc1cc2ncnc(Nc3ccc4nn(Cc5ccccc5)cc4c3)c2cc1OC
BDBM50099962 C(c1ccccc1)n1cnc2ccc(Nc3ncnc4ccccc34)cc12
BDBM50099963 CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
BDBM50099964 C(c1ccccc1)n1cnc2cc(Nc3ncnc4ccccc34)ccc12
BDBM50099965 C(c1ccccc1)n1ncc2cc(Nc3ncnc4ccccc34)ccc12
BDBM50099966 Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
BDBM50099967 C(c1ccccc1)n1ccc2cc(Nc3ncnc4ccccc34)ccc12
BDBM50099968 Nc1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1
BDBM50099969 COc1cc2ncnc(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)c2cc1OC
BDBM50099970 COc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2cc1OC
BDBM50099971 Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ccc4c3)ncnc2cn1
BDBM50102247 OC[C@H]1C[C@@H]2O[C@H]1n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13
BDBM50102524 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50102525 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
BDBM50102526 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
BDBM50102527 CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(O)=O
BDBM50102528 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
BDBM50102529 CSCC[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50102530 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
BDBM50102531 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50114250 Cn1nc(cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1)C(C)(C)C
BDBM50119071 COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM50119073 COCCOc1cc2ncc(C#N)c(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM50119074 Fc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)C#N)cc1Cl
BDBM50122557 COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C(C)N1CCOCC1
BDBM50122558 CCN(CC)C(C)\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC)C#N
BDBM50122559 COc1cc(NC(=O)\C=C\CN2CCOCC2)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N
BDBM50122560 COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50122561 COc1cc(NC(=O)\C=C\CN(C)C)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N
BDBM50122562 Brc1cccc(Nc2c(cnc3ccc(NC(=O)C=C)cc23)C#N)c1
BDBM50122563 CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50122564 Fc1ccc(Nc2c(cnc3ccc(NC(=O)\C=C\CN4CCOCC4)cc23)C#N)cc1Cl
BDBM50122565 CCCN(CCC)CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
BDBM50122566 CC(C)N(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)C
BDBM50122567 CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
BDBM50122568 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC(F)(F)F)C#N
BDBM50122569 COCOC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
BDBM50122570 COCC1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
BDBM50122571 C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
BDBM50122572 COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CC
BDBM50122573 CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
BDBM50122574 COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50122576 COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
BDBM50122577 Brc1cccc(Nc2c(cnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)C#N)c1
BDBM50122578 COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C
BDBM50122579 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(=C)CN(C)C
BDBM50122580 Fc1ccc(Nc2c(cnc3ccc(NC(=O)C(=C)CN4CCOCC4)cc23)C#N)cc1Cl
BDBM50122581 CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50122582 COCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
BDBM50122583 COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C=C
BDBM50122584 CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
BDBM50122585 COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
BDBM50122586 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C
BDBM50122587 COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C(C)N(C)C
BDBM50122588 COCC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cc1OC)C#N
BDBM50122589 CCN(CC)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC)C#N
BDBM50126732 CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
BDBM50130358 COC1=CC(=O)C=C(\C=C2/CCCC3CCCCC23)C1=O |t:2,6|
BDBM50130359 COc1cc(O)c(N[C@@H](C=O)C(O)=O)cc1O
BDBM50130360 COC1=CC(=O)C=CC1=O |c:6,t:2|
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50133384 Cc1cccc(Nc2ncnc3ccc(N)cc23)c1
BDBM50133382 Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50150778 Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
BDBM50150776 Cc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12
BDBM50151366 C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
BDBM50132506 CCNC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1
BDBM50131843 COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1
BDBM50132490 NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50132491 NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1
BDBM50132489 CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1
BDBM50132493 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-[#6](=O)-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc2ncnc(-[#7]-c3ccc(F)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6]
BDBM50132494 CCNC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50132495 NC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50132496 Clc1cc(-[#7]-c2ncnc3ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc23)ccc1-[#8]-[#6]-c1ccccn1
BDBM50132499 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-[#6]-c4ccccn4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6]
BDBM50132501 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-c4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6]
BDBM50132497 Fc1cccc(-[#6]-[#8]-c2ccc(-[#7]-c3ncnc4ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc34)cc2Cl)c1
BDBM50132502 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-c4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6]
BDBM50132504 CCNC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50132505 CCNC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1
BDBM50132492 NC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1
BDBM50132498 Clc1ccc(-[#8]-c2ccc(-[#7]-c3ncnc4ccc(-[#7]\[#6]=[#6](\C#N)C#N)cc34)cc2Cl)cc1Cl
BDBM50132503 CCNC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1
BDBM50132500 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2ncnc(-[#7]-c3ccc(-[#8]-[#6]-c4cccc(F)c4)c(Cl)c3)c2c1)\[#6](=O)-[#8]-[#6]-[#6]
BDBM50161876 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50161877 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161878 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(c4)C#N)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161879 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161880 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccco4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161881 COc1cc2ncc(C#N)c(Nc3ccc(NCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161882 CCOc1cc2ncc(C#N)c(Nc3cccc(OCc4ccccc4)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161883 CCOc1cc2ncc(C#N)c(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161884 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(O)CC1
BDBM50161885 COc1cc2ncc(C#N)c(Nc3ccc(Sc4ncccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161886 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(C)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161887 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cc(F)cc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161888 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCOC
BDBM50161889 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC1COC
BDBM50161890 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(F)cc4F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161891 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161892 CCCCCOc1ccc(Nc2c(cnc3cc(OCC)c(NC(=O)\C=C\CN(C)C)cc23)C#N)cc1Cl
BDBM50161893 CCOc1cc2ncc(C#N)c(Nc3ccc(N(C)Cc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161894 COc1cc2ncc(C#N)c(Nc3ccc(c(Cl)c3)-n3ccnc3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161895 COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161896 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C(=C)CN1CCOCC1
BDBM50161897 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC1C(=O)OC
BDBM50161898 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCCOCCOCC1
BDBM50161899 COc1cc2ncc(C#N)c(Nc3ccc(Sc4ncc(s4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161900 COc1cc2ncc(C#N)c(Nc3ccc(Cc4nc(cs4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161901 COc1cc2ncc(C#N)c(Nc3ccc(NCc4cccnc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161902 CCOc1cc2ncc(C#N)c(Nc3ccc(O[C@H](C)c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161903 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4Cl)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161904 CCOc1cc2ncc(C#N)c(Nc3ccc(OCCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161905 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\c1cn(C)cn1
BDBM50161948 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161949 COc1cc2ncc(C#N)c(Nc3ccc(NCNc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161950 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C(C)CCCC1C
BDBM50161951 CCOc1cc2ncc(C#N)c(Nc3ccc4N(Cc5ccccc5)CCc4c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161952 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C
BDBM50161953 CCOc1cc2ncc(C#N)c(Nc3ccc(Cn4ccnc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161954 CCOc1cc2ncc(C#N)c(Nc3ccc(NCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161955 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCO
BDBM50161956 CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(cs4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161926 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCSCC1
BDBM50161927 CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161928 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)cc3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161929 CCOc1cc2ncc(C#N)c(Nc3cc(Cl)c(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161930 COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccs4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161931 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(CC(C)O)CC(C)O
BDBM50161932 CCOc1cc2ncc(C#N)c(Nc3ccc(N4CCOCC4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161933 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NS(=O)(=O)C=C
BDBM50161934 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(O)(O)CC1
BDBM50161935 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccs4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161936 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC1
BDBM50161937 CCOc1cc2ncc(C#N)c(Nc3ccc(O[C@@H]4CCc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161938 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
BDBM50161939 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(F)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161940 COc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161941 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
BDBM50161942 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4nccn4C)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161943 CCOc1cc2ncc(C#N)c(Nc3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161944 CCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccncc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161945 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(c3)C#N)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161946 CCOc1cc2ncc(C#N)c(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161947 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCc1cnc[nH]1 |w:35.39|
BDBM50161906 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccnc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161907 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
BDBM50161908 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161909 CCOc1cc2ncc(C#N)c(Nc3ccc(OCC4CCCCC4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161910 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(OCc5ccccc5)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161911 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc5ccccc5c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161912 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\c1ccccc1N(C)C
BDBM50161913 COc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)cc3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161914 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161915 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4OC)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161916 CCOc1cc2ncc(C#N)c(Nc3ccc(NCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161917 COc1cc2ncc(C#N)c(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161918 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NCC(=C)C(O)=O
BDBM50161919 CCOc1cc2ncc(C#N)c(Nc3ccc(O[C@H]4CCc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161920 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\c1cccc2cccnc12
BDBM50161921 CCOc1cc2ncc(C#N)c(Nc3ccc(O[C@@H](C)c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161922 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccnc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50161923 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C(=C)CN(C)C
BDBM50161924 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4nc5ccccc5s4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50162160 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC
BDBM50165272 Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
BDBM50165281 COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
BDBM50165304 CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1
BDBM50165313 COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)cc1Cl
BDBM50165315 Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)nc12
BDBM50165314 Nc1ncnc2nc(Sc3cc(Cl)ccc3Cl)[nH]c12
BDBM50168402 CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)(F)S(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
BDBM50168403 CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F
BDBM50168387 CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
BDBM50168389 CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
BDBM50168392 CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCC4CCCO4)c(C(C)C)c23)c(F)cc1F
BDBM50171249 COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC
BDBM50171250 CN1CCC(CC1)Oc1cccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
BDBM50171251 COc1ccc(Nc2ncnc3cccc(OC4CCN(C)CC4)c23)cc1Cl
BDBM50171252 CN1CCC(CC1)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c12
BDBM50171253 CN1CCC(CC1)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50171255 COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50171256 COc1cc(ON2CCC(C)CC2)c2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2c1
BDBM50171257 Clc1cc(Nc2ncnc3cccc(OC4CCOCC4)c23)ccc1OCc1ccccn1
BDBM50171514 Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12
BDBM50171515 COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
BDBM50171520 CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1
BDBM50169694 Nc1ncnc2nn3ccccc3c12
BDBM50169696 Clc1cc(Nc2ncnc3nn4ccccc4c23)ccc1OCc1ccccc1
BDBM50169697 Fc1cccc(COc2ccc(Nc3ncnc4nn5ccccc5c34)cc2Cl)c1
BDBM50169699 C(c1nc2ccc(Nc3ncnc4nn5ccccc5c34)cc2[nH]1)c1ccccc1
BDBM50169701 Fc1ccc(Nc2ncnc3nn4ccccc4c23)cc1Cl
BDBM50172018 CCOC(=O)c1cn2ncnc(NCc3ccccc3)c2c1CC
BDBM50176000 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CC(C)(C)N
BDBM50179207 COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
BDBM50180301 CC(C)NCCCn1c(Cc2cc3OCOc3cc2I)nc2c(N)nc(F)nc12
BDBM50180302 CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
BDBM50180303 COc1cc(I)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
BDBM50180304 COc1cc(Br)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
BDBM50180305 Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Cl)nc12
BDBM50180306 CC(C)NCCCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)ncnc12
BDBM50180308 Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3I)nc12
BDBM50180309 COc1cc(Cl)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC
BDBM50180310 Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Br)nc12
BDBM50184276 CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1cccc(O)c1O |c:16|
BDBM50182891 CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182892 NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182893 OCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182894 Nc1ccccc1C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182895 CNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182896 Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182897 CC(=O)NCc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182898 COC(=O)CCCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182899 CS(=O)(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182900 Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182901 Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ncccn3)cc2Cl)c1
BDBM50182902 Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3cccnc3)cc2Cl)c1
BDBM50182903 Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccc3)cc2Cl)c1
BDBM50182904 OCc1ccc(o1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182905 OCc1nc(cs1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182906 Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccn3)cc2Cl)c1
BDBM50182907 CS(=O)(=O)CCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182908 CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182909 CC(=O)Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182910 Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182911 Fc1cccc(COc2ccc(Nc3ncncc3C#C)cc2Cl)c1
BDBM50182677 Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCN4CCOCC4)cc23)cc1Cl
BDBM50182678 Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCCCC4)cc23)cc1Cl
BDBM50182679 CCN(CC)CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
BDBM50182680 CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50182681 Fc1ccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCOCC4)cc23)cc1Cl
BDBM50182682 Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Cl
BDBM50182683 CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)C(C)C
BDBM50182684 CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Br)c4)ncnc3cn2)CC1
BDBM50182686 CCN(CC)CCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50182687 CCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
BDBM50182688 Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Br
BDBM50182689 Brc1cccc(Nc2ncnc3cnc(NC(=O)C#C)cc23)c1
BDBM50182690 OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50182691 CC(C)N(CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1)C(C)C
BDBM50182692 CCCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
BDBM50182693 CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
BDBM50182694 CCCCN(CCCC)CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50182695 Brc1cccc(Nc2ncnc3ccc(NC(=O)C#C)cc23)c1
BDBM50182696 CCCCN(CCCC)CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
BDBM50182697 CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1
BDBM50182698 Fc1ccc(Nc2ncnc3ccc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Cl
BDBM50182912 CNC(=O)c1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182913 CC(=O)Nc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50182914 Fc1cccc(COc2ccc(Nc3ccncn3)cc2Cl)c1
BDBM50182915 Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccn[nH]3)cc2Cl)c1
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50189122 Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2C(F)(F)F)c1
BDBM50189123 Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1
BDBM50189124 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2c1
BDBM50189125 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1
BDBM50189126 CC(C)S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50189127 CCCN(CCS(C)(=O)=O)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50189128 Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(COCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1
BDBM50189603 Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
BDBM50189105 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Br)c3)c2c1
BDBM50189106 CS(=O)(=O)CCN(Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)Cc1ccccc1
BDBM50189107 CS(=O)(=O)CCOCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50189108 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1
BDBM50189109 Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCS(=O)CC4)o3)cc2Cl)c1
BDBM50189110 COc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCS(C)(=O)=O)o2)ccc1OCc1cccc(F)c1
BDBM50189111 Clc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CNCCCCS(=O)(=O)c3ccccc3)o2)ccc1OCc1ccccc1
BDBM50189112 CCCS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50189113 Fc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3CCS(=O)CC3)o2)ccc1OCc1ccccc1
BDBM50189114 Cn1ccnc1S(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1
BDBM50189115 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(c3)C(F)(F)F)c2c1
BDBM50189116 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
BDBM50189117 CS(=O)(=O)CCN(CC#N)Cc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50189118 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(Br)c4)cc3)c2c1
BDBM50189120 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c2c1
BDBM50189121 Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)c4ccccn4)o3)cc2C(F)(F)F)c1
BDBM50188455 CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1
BDBM50188456 ClCCNC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM50188457 CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM50188458 CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50188459 CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50188460 Cc1cccc(Nc2ncnc3ccc(NC(=O)N(CCCl)N=O)cc23)c1
BDBM50188461 ClCCNC(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50188462 CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM50188465 Cc1cccc(Nc2ncnc3ccc(NC(=O)NCCCl)cc23)c1
BDBM50188466 ClCCN(N=O)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50188467 CN(C(=O)N(CCCl)N=O)c1ccc2ncnc(Nc3cccc(C)c3)c2c1
BDBM50188468 ClCCN(N=O)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
BDBM50188463 CNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
BDBM50188464 CNc1ccc2ncnc(Nc3cccc(C)c3)c2c1
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50195876 Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
BDBM50195879 Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
BDBM50200755 Fc1ccc(cc1)-c1nn[nH]c1C#N
BDBM50200756 COc1cc(cc(OC)c1OC)-c1nn[nH]c1C#N
BDBM50200757 Fc1cc(ccc1Oc1ccccc1)-c1nn[nH]c1C#N
BDBM50200758 Clc1ccc(cc1)-c1nn[nH]c1C#N
BDBM50200759 Cc1ccc(cc1)-c1nn[nH]c1C#N
BDBM50200760 COc1ccc(cc1OC)-c1nn[nH]c1C#N
BDBM50200761 COc1ccc(cc1)-c1nn[nH]c1C#N
BDBM50200762 COc1cccc(-c2nn[nH]c2C#N)c1OC
BDBM50200763 N#Cc1[nH]nnc1-c1ccccc1
BDBM50200764 CC(C)c1ccc(cc1)-c1nn[nH]c1C#N
BDBM50200765 Brc1ccc(cc1)-c1nn[nH]c1C#N
BDBM50200766 N#Cc1[nH]nnc1-c1ccc(Oc2ccccc2)cc1
BDBM50204115 NCCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204116 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CCNCC6)c45)ccc23)c1
BDBM50204117 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CNCCO6)c45)ccc23)c1
BDBM50204118 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CNCCOC6)c45)ccc23)c1 |w:25.24|
BDBM50204119 CN(C)CCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204120 OC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204121 Cc1ccn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM50204122 NC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204123 COC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204124 Cc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204125 COc1cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1COC[C@@H]1CNCCO1
BDBM50204126 OCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204127 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC6CCNCC6)c45)ccc23)c1
BDBM50204128 Fc1cccc(COc2ccc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)cc2Cl)c1
BDBM50204129 C(OCc1ccn2ncnc(Nc3ccc4n(Cc5cccnc5)ncc4c3)c12)[C@@H]1CNCCO1
BDBM50204130 COCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204131 COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204132 C[C@H](c1ccccc1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12
BDBM50204133 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CCCNC6)c45)ccc23)c1
BDBM50204134 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1
BDBM50204135 Cc1ccn2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
BDBM50204136 C[C@@H](c1ccccc1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12
BDBM50204137 NCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204138 NCCCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50204139 C[C@@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12
BDBM50204140 Cc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12
BDBM50204141 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6COCCN6)c45)ccc23)c1
BDBM50204142 C[C@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12
BDBM50204143 Cc1ccn2ncnc(Nc3ccc4n(Cc5cccnc5)ncc4c3)c12
BDBM50204144 Cc1ccn2ncnc(Nc3ccc4[nH]ncc4c3)c12
BDBM50204145 C(OCc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)[C@@H]1CNCCO1
BDBM50202760 c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50203525 CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1 |t:1|
BDBM50203526 ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19|
BDBM50203527 COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19|
BDBM50203528 CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |c:16|
BDBM50203529 ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50203530 Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
BDBM50203531 Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O |t:8|
BDBM50203533 ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
BDBM50203534 CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
BDBM50203535 ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
BDBM50203536 ONC(=O)[C@H]1CCCN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
BDBM50203537 ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1
BDBM50203538 ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18|
BDBM50208397 CC1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 |w:1.0|
BDBM50208398 CN1CCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208399 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCNCC6)c45)ccc23)c1
BDBM50208400 CC(=O)N1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208401 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1
BDBM50208402 OC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208403 OC(=O)C1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208404 COC(=O)C1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208405 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCC6)c45)ccc23)c1
BDBM50208406 NC(=O)C1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208407 CN1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208408 CS(=O)(=O)N1CCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50208409 O[C@H]1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1
BDBM50208410 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCNCC(=O)C6)c45)ccc23)c1
BDBM50208411 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCNC(=O)CC6)c45)ccc23)c1
BDBM50208412 OCCNCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50208413 CN(CCO)Cc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50208414 COC1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1 |w:2.1|
BDBM50208415 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCNC(=O)C6)c45)ccc23)c1
BDBM50208416 O[C@@H]1CNCCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1
BDBM50209350 Cc1cc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)ccc1OC1CCN(CC1)C(=O)Nc1c(F)cccc1F
BDBM50209351 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1
BDBM50209352 Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C
BDBM50209353 Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C
BDBM50209354 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)Nc4ccccc4)c(C)c3)c2c1
BDBM50209355 COc1cc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)c2cc1OC
BDBM50209356 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(C)CC4)c(C)c3)c2c1
BDBM50209357 CNC(=O)c1ccc(Oc2ccc(Nc3ncnc4ccc(cc34)C#CCNC(=O)COC)cc2C)cc1
BDBM50209358 Cc1cc(Nc2ncnc3cnc(cc23)N2CCCC2)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C
BDBM50209359 COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1
BDBM50209360 Cc1cc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C
BDBM50209361 CN(C)c1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)ncnc2cn1
BDBM50209362 COc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2cc1OC
BDBM50209363 COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCCC4)c(C)c3)c2c1
BDBM50209364 CNc1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)ncnc2cn1
BDBM50209365 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)N(C)C)c(C)c3)c2c1
BDBM50209366 COc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2cc1OC
BDBM50209367 CNC(=O)c1cccc(Oc2ccc(Nc3ncnc4ccc(cc34)C#CCNC(=O)COC)cc2C)c1
BDBM50209368 CN(C)c1cc2c(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)ncnc2cn1
BDBM50209369 COc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1
BDBM50209370 CNc1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1
BDBM50209371 Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)C1CCCC1
BDBM50209372 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)NC(C)(C)C)c(C)c3)c2c1
BDBM50209373 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCNCC4)c(C)c3)c2c1
BDBM50209374 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)Nc4ccccc4)c(C)c3)c2c1
BDBM50209375 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)N(C)C)c(C)c3)c2c1
BDBM50209376 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(C)=O)c(C)c3)c2c1
BDBM50209377 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)NC(C)(C)C)c(C)c3)c2c1
BDBM50209333 COc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1
BDBM50209334 COCCOc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2cc1OCCOC
BDBM50209335 COCCOc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCCC4)c(C)c3)c2cc1OCCOC
BDBM50209336 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2c1
BDBM50209337 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)COC)c(C)c3)c2c1
BDBM50209338 Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)Nc1c(F)cccc1F
BDBM50209339 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)NC4CCC4)c(C)c3)c2c1
BDBM50209340 CN1CCN(CC1)c1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1
BDBM50209341 Cc1cc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)ccc1Oc1ccc(cc1)C(=O)NCC(C)(C)C
BDBM50209342 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)c2c1
BDBM50209343 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCCO4)c(C)c3)c2c1 |w:31.31|
BDBM50209344 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(=O)NCC(C)(C)C)c(C)c3)c2c1
BDBM50209345 COCCOc1cc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)Nc4c(F)cccc4F)c(C)c3)c2cc1OCCOC
BDBM50209346 CN(C)c1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1
BDBM50209347 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCC4)c(C)c3)c2c1
BDBM50209348 COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1
BDBM50209349 COCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)c4cccc(Cl)c4)c(C)c3)c2c1
BDBM50214095 CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1
BDBM50214096 CC(C)NC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214097 Cc1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214098 CC(C)NCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214099 CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1
BDBM50214100 CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214101 COCc1cccc2nc([nH]c12)-c1nn(C)c2ncc(cc12)-c1cncc2ccccc12
BDBM50214102 OCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214103 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cnc2ccccc2c1
BDBM50214104 COC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214105 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1ccncc1
BDBM50214106 CC(C)OCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214107 CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1
BDBM50214108 CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1
BDBM50214109 OC(=O)c1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214110 C1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214111 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
BDBM50214112 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncnc1
BDBM50214113 CCN(CC)C(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50214114 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc(CN(C)C)c1
BDBM50214115 CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1
BDBM50214116 COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cccnc1
BDBM50214117 CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1
BDBM50214118 CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cccc(COC)c5[nH]4)c3c2)c1C
BDBM50214119 CCCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4cccc(COC)c4[nH]3)c2c1
BDBM50214120 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
BDBM50217185 N[C@@H]1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1
BDBM50217186 NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)CC1
BDBM50217187 NCC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217188 NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccc[n+]5[O-])c(Cl)c4)c23)CC1
BDBM50217189 NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccnc6)ncc5c4)c23)CC1
BDBM50217190 NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccnc5)c(Cl)c4)c23)CC1
BDBM50217191 NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217192 OCCNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217193 CS(=O)(=O)CCNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217194 N[C@H]1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)C1
BDBM50217195 Cc1cncc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCC(N)CC6)c45)ccc23)c1
BDBM50217196 CC(=O)NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217197 NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6ccncc6)ncc5c4)c23)CC1
BDBM50217198 CNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217199 NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6ccccn6)ncc5c4)c23)CC1
BDBM50217200 CN(C)C1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217201 CC1(N)CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217202 Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CNC6CCNCC6)c45)ccc23)c1
BDBM50217203 COc1cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1CN1CCC(N)CC1
BDBM50217204 NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1
BDBM50217205 OCC(=O)NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
BDBM50217206 NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1
BDBM50217207 Cc1cncc(COc2ccc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)cc2Cl)c1
BDBM50217208 COc1cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1CN1CCCNCC1
BDBM50217209 Fc1cccc(COc2ccc(Nc3ncnn4ccc(CN5CCCNCC5)c34)cc2Cl)c1
BDBM50215751 N#Cc1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:13.15|
BDBM50215752 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cccnc1 |w:22.26|
BDBM50215753 CCNCc1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:9.8|
BDBM50215754 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:17.20|
BDBM50215755 COC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:9.8|
BDBM50215756 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cnccc1C |w:17.20|
BDBM50215757 FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cccnc1 |w:15.17|
BDBM50215745 CCNC(=O)c1cncc(C=Cc2c[nH]nc2-c2nc3ccc(OC)cc3[nH]2)c1 |w:10.9|
BDBM50215746 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(OC)c1 |w:17.20|
BDBM50215747 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc(c1)C#N |w:17.20|
BDBM50215748 CCNCc1cncc(C=Cc2c[nH]nc2-c2ncc([nH]2)C(F)(F)F)c1 |w:9.8|
BDBM50215749 FC(F)(F)c1cnc([nH]1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:15.17|
BDBM50215750 COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cccnc1 |w:17.20|
BDBM50219382 CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:7.7,9.12,(13.72,-11.86,;13.25,-10.4,;11.74,-10.07,;11.27,-8.61,;12.31,-7.47,;13.81,-7.78,;14.28,-9.25,;11.83,-6.01,;10.46,-5.31,;11.15,-3.94,;12.53,-4.64,;10.68,-2.48,;11.59,-1.22,;10.67,.03,;11.15,1.5,;10.12,2.63,;10.58,4.09,;12.09,4.42,;12.57,5.88,;14.08,6.21,;15.12,5.05,;14.63,3.58,;13.12,3.27,;12.65,1.81,;16.62,5.37,;17.65,4.22,;19.15,4.54,;19.63,6.01,;18.59,7.15,;17.09,6.83,;9.2,-.45,;7.86,.32,;7.85,1.86,;6.53,-.45,;6.53,-2,;7.86,-2.77,;9.2,-2,)|
BDBM50222489 C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50222490 OCC(=O)N1CCC[C@@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50222491 CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO
BDBM50222492 C[C@@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO
BDBM50222493 C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO
BDBM50222494 C[C@@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50222495 OCC(=O)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50227986 ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r|
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50229343 C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C
BDBM50236367 C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C
BDBM50236368 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N1CCOCC1
BDBM50236369 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1
BDBM50236370 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C
BDBM50236371 C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N1CCOCC1
BDBM50236372 CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12
BDBM50236373 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C
BDBM50236374 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cscn5)ncc4c3)c12)C(=O)N(C)C
BDBM50236375 C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C
BDBM50236376 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N(C)C
BDBM50236377 C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N(C)C
BDBM50236378 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N1CCOCC1
BDBM50236379 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cscn5)ncc4c3)c12)C(N)=O
BDBM50236380 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cscn5)ncc4c3)c12)C(=O)N1CCOCC1
BDBM50236381 C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1
BDBM50236383 C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(N)=O
BDBM50236384 CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
BDBM50236387 C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cscn5)ncc4c3)c12)C(=O)N(C)C
BDBM50236388 CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12
BDBM50240214 CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50235544 NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
BDBM50240590 Cc1cc2nc(CBr)c(nc2cc1C)-c1ccccc1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50313647 COCCCN1CCC(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4Cl)[nH]c3c2)c2c(N)ncnc12 |r,wU:14.18,wD:11.11,(7.5,-14.98,;6.88,-13.57,;7.78,-12.33,;7.16,-10.92,;8.06,-9.67,;7.43,-8.27,;8.34,-7.02,;7.71,-5.61,;6.18,-5.45,;5.28,-6.7,;5.9,-8.11,;5.55,-4.05,;6.46,-2.8,;5.83,-1.39,;4.3,-1.23,;3.4,-2.48,;4.02,-3.89,;3.68,.17,;2.17,.49,;2.01,2.03,;.67,2.8,;.67,4.34,;-.66,5.11,;-1.99,4.34,;-3.46,4.81,;-4.36,3.57,;-5.9,3.57,;-6.67,4.9,;-5.9,6.23,;-6.67,7.57,;-8.21,7.57,;-8.98,6.23,;-8.21,4.9,;-8.98,3.57,;-3.46,2.32,;-1.99,2.8,;-.66,2.03,;3.42,2.65,;3.89,4.12,;2.86,5.26,;5.4,4.44,;6.43,3.29,;5.95,1.83,;4.45,1.51,)|
BDBM50313648 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)C2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.23,wD:24.30,(12.06,2.98,;13.6,2.98,;14.37,4.32,;13.6,5.65,;14.37,6.99,;15.91,6.99,;16.68,5.65,;15.91,4.32,;16.68,2.98,;18.22,2.98,;19.13,4.23,;20.59,3.75,;21.92,4.52,;23.26,3.75,;23.26,2.21,;21.92,1.44,;20.59,2.21,;19.13,1.74,;24.59,1.44,;24.75,-.09,;26.26,-.41,;26.89,-1.81,;28.42,-1.97,;29.04,-3.38,;28.14,-4.63,;26.61,-4.47,;25.98,-3.06,;28.76,-6.03,;30.3,-6.2,;30.92,-7.6,;30.02,-8.85,;30.64,-10.25,;28.49,-8.69,;27.86,-7.28,;27.03,.93,;28.53,1.25,;29.01,2.71,;27.98,3.86,;26.47,3.54,;25.44,4.68,;26,2.07,)|
BDBM50256478 COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
BDBM50256479 CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
BDBM50256480 CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
BDBM50245407 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
BDBM50245408 COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
BDBM50245409 COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245410 CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50243977 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
BDBM50243930 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
BDBM50241984 Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50243931 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
BDBM50245323 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(O)=O
BDBM50245361 COC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245362 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCCN1CCOCC1
BDBM50245363 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
BDBM50245364 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
BDBM50245442 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
BDBM50245443 COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
BDBM50245444 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C#N
BDBM50245445 NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50245471 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
BDBM50245472 Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
BDBM50263183 Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O |r|
BDBM50256015 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccco3)cc2Cl)c1
BDBM50256016 CS(=O)(=O)CCNCc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256017 CS(=O)(=O)CCNCc1cc(co1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256018 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3cccs3)cc2Cl)c1
BDBM50256020 CS(=O)(=O)CCNCc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256021 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3ccco3)cc2Cl)c1
BDBM50256022 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3ccc(CNCc4ccccc4)o3)cc2Cl)c1
BDBM50256023 CCNCc1ccc([nH]1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
BDBM50256024 CS(=O)(=O)CCNCc1ccc([nH]1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
BDBM50256032 CN(C)Cc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256033 CN1CCN(Cc2ccc(o2)-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)CC1
BDBM50256034 OCc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256035 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc(CNCC#N)o3)cc2Cl)c1
BDBM50256036 CS(=O)(=O)CCNCc1cc(cs1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256037 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc[nH]3)cc2Cl)c1
BDBM50256038 CN(C)Cc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256039 CCNCc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
BDBM50256040 CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
BDBM50256041 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3cccs3)cc2Cl)c1
BDBM50256042 CS(=O)(=O)CCNCc1ccc(s1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
BDBM50255996 CS(=O)(=O)CCNCc1cc(cs1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
BDBM50255997 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)-c3ccc[nH]3)cc2Cl)c1
BDBM50255998 CN(C)Cc1ccc([nH]1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
BDBM50246774 NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
BDBM50248086 CNc1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
BDBM50248087 CNC(=O)c1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
BDBM50248228 Clc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
BDBM50248229 Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1
BDBM50248182 COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1
BDBM50248184 COc1cc(Nc2ncnc3nc[nH]c23)ccc1-c1nc2ccccc2s1
BDBM50248185 N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2ccsc12
BDBM50248186 COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
BDBM50248116 Cc1cc(Nc2cc(Nc3ccc(cc3)-c3nc4ccccc4s3)ccn2)[nH]n1
BDBM50248117 CNc1nccc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
BDBM50248118 CNc1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
BDBM50248120 CN1CCN(CC1)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
BDBM50248147 COc1cc(Nc2nccc(Nc3cc(C)n[nH]3)n2)ccc1-c1nc2ccccc2s1
BDBM50248148 N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
BDBM50248149 COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1
BDBM50248150 COc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc[nH]c2n1
BDBM50270583 COC(=O)CNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1
BDBM50268904 ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r|
BDBM50268905 NCCCCCNC(=O)CC1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(C1)c1ccccc1 |r|
BDBM50268906 ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50268951 CN1CC(CC(=O)N2CCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
BDBM50268952 CN1CC(CC(=O)N2CCCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
BDBM50268953 ONC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50268954 ONC(=O)[C@H]1CC2(CC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50268999 ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50269000 ONC(=O)[C@H]1CC(CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50269001 CN1CCN(CC1)C(=O)CC1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50269002 ONC(=O)[C@H]1CC(CC(=O)N2CCOCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50269056 ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50269057 ONC(=O)[C@H]1C[C@@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50269058 ONC(=O)[C@H]1C[C@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
BDBM50269059 CC(C)c1cccc(c1)C1CCN(CC1)C(=O)[C@H]1CC[C@H](CC(=O)N2CCCCC2)C[C@@H]1C(=O)NO |r|
BDBM50268223 Nc1ncnc2n(CC(=O)c3c[nH]c4ccccc34)cnc12
BDBM50270523 OC(=O)CNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1
BDBM50270524 CC(C)(Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(N)=O
BDBM50270525 OCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1
BDBM50279080 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279044 NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9|
BDBM50279045 COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C(=O)N(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50293250 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3CCCN3)cc2Cl)c1 |r|
BDBM50293251 COCCN1CCC[C@@H]1C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293252 CS(=O)(=O)N1CCC[C@@H]1C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293253 CC(=O)N1CCC[C@@H]1C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293254 COC(=O)N1CCC[C@@H]1C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293255 O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293256 CCO[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293257 CS(=O)(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293258 CCC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293259 CCOC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293260 CCOC(=O)N[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50293261 CCS(=O)(=O)N[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
BDBM50272807 CN=NCc1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |w:1.0|
BDBM50272808 Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=NCC(F)(F)F |w:26.29|
BDBM50272809 COc1ccc(cc1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50271271 C[C@H](CN(C)C)Oc1cccc2ncnc(Nc3ccc(OCc4cnccn4)c(Cl)c3)c12 |r|
BDBM50271272 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1
BDBM50270646 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1sccc1-n1cccc1
BDBM50270647 N(c1ccc(Oc2ccccc2)cc1)c1ccnc2ccccc12
BDBM50270648 COc1cc2nccc(Nc3ccc(N4C(=O)c5ccc(Cl)cc5C4=O)c(C)c3)c2cc1OC
BDBM50270677 CONC(=O)c1ccc(F)c(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c1
BDBM50270678 Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(F)(F)F)cc1O
BDBM50271239 COc1cc(Nc2ncnc3ccc(cc23)-c2ccc(CN3C[C@H]4[C@@H](CO)[C@H]4C3)cc2)ccc1Oc1ccccc1 |r|
BDBM50272844 CN(C)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50272845 Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCOCC1
BDBM50272846 Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCCCC1
BDBM50272847 CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50272881 Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1
BDBM50272882 COC[C@@H]1CCCN1\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r|
BDBM50272883 COC[C@H]1CCCN1\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r|
BDBM50289957 [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)Oc2ccccc2)cc1
BDBM50289961 [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)OCc2ccco2)cc1
BDBM50289963 CC(C)O[C@@H]1[C@@H](COC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)O[C@H]([C@@H]1OC(C)C)n1cnc2c(N)ncnc12 |r|
BDBM50289964 COc1ccc(OC(=O)CCCC(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)cc1
BDBM50275499 Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
BDBM50296347 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@@H](C1)N1CCCC1 |r,wU:26.32,wD:24.27,(-6.06,2.61,;-6.05,1.07,;-7.38,.3,;-7.39,-1.25,;-6.05,-2.02,;-4.72,-1.25,;-3.24,-1.73,;-2.33,-.47,;-3.24,.78,;-2.77,2.25,;-3.79,3.38,;-3.32,4.85,;-1.81,5.17,;-.78,4.03,;.73,4.35,;1.76,3.2,;3.27,3.52,;4.29,2.37,;5.8,2.69,;6.28,4.16,;5.24,5.31,;3.74,4.98,;-1.25,2.56,;-4.72,.3,;-2.78,-3.19,;-3.47,-4.56,;-2.1,-5.27,;-1.4,-3.9,;-1.64,-6.73,;-2.54,-7.98,;-1.64,-9.23,;-.18,-8.76,;-.17,-7.22,)|
BDBM50304193 COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
BDBM50304194 COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304195 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304196 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304197 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304198 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304199 COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304200 COc1cc2c(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304201 COc1cc2c(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304207 COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304208 COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304209 COc1cc2c(Nc3ccc(cc3O)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304210 COc1cc2c(Nc3ccc(cc3OC(F)(F)F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50304211 COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304212 COc1ccc2nc(sc2c1)-c1ccc(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)cc1
BDBM50304213 COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304214 COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
BDBM50304216 COc1cc2ncnc(Nc3ccc(cc3O)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304217 COc1cc(ccc1Nc1ncnc2cc(OC)c(OCCCN3CCN(C)CC3)cc12)-c1nc2ccccc2s1
BDBM50304218 COc1cc2ncnc(Nc3ccc(cc3F)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304219 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304220 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304221 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304222 COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1
BDBM50304223 COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304224 COc1cc2ncnc(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)c2cc1OCCCN1CCN(C)CC1
BDBM50304225 COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50304226 COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OCCCN1CCN(C)CC1
BDBM50299081 Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
BDBM50299083 CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
BDBM50308938 CCCCNC(=O)c1ccc(cc1)N(CCCl)CCCl
BDBM50308939 CC(C)(C)NC(=O)c1ccc(cc1)N(CCCl)CCCl
BDBM50311462 CCN(CC)CCNC(=O)c1[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C
BDBM50311463 CN1CCN(CCCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1
BDBM50311464 CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1
BDBM50311465 Cc1c([nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12)C(=O)NCCN1CCOCC1
BDBM50311466 Cc1c([nH]c2cnnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)NCCN1CCOCC1
BDBM50311467 CCOC(=O)c1[nH]c(C)c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
BDBM50311468 CCN(CC)CCNC(=O)c1cc2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2[nH]1
BDBM50311469 Fc1cccc(COc2ccc(Nc3nncc4cc([nH]c34)C(=O)NCCN3CCCC3)cc2Cl)c1
BDBM50310339 [O-][N+](=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:13|
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50307768 COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
BDBM50307769 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC(=O)NO
BDBM50307770 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC(=O)NO
BDBM50307771 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO
BDBM50307772 COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCC(=O)NO
BDBM50307773 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC(=O)NO
BDBM50307774 COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCC(=O)NO
BDBM50307775 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
BDBM50307776 COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OCCCCCCC(=O)NO
BDBM50307777 COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
BDBM50307778 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SCCCCCCC(=O)NO
BDBM50307779 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1S(=O)(=O)CCCCCCC(=O)NO
BDBM50307780 COc1cc2ncnc(NCc3ccc(Cl)c(F)c3)c2cc1OCCCCCCC(=O)NO
BDBM50307781 ONC(=O)CCCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50307782 COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
BDBM50307783 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCCC(=O)NO
BDBM50307784 COc1cc2ncnc(NCc3ccccc3)c2cc1OCCCCCCC(=O)NO
BDBM50307785 COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCCCCCCC(=O)NO
BDBM50307786 COc1cc2ncnc(N[C@@H](C)c3ccccc3)c2cc1OCCCCCCC(=O)NO |r|
BDBM50307787 COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OCCCCCCC(=O)NO |r|
BDBM50307788 COc1cc2ncnc(N[C@@H](C)c3ccc(F)cc3)c2cc1OCCCCCCC(=O)NO |r|
BDBM50307789 COc1cc2ncnc(N[C@@H](C)c3ccc(Cl)cc3)c2cc1OCCCCCCC(=O)NO |r|
BDBM50307790 COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCC(=O)NO
BDBM50307791 COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCCCC(=O)NO
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50299487 CCC1=C2C(N=C1NC(=O)OCCN1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2|
BDBM50300026 COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
BDBM50300027 COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
BDBM50301101 ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 |r|
BDBM50301102 CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCC1 |r|
BDBM50301103 ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |r,c:25|
BDBM50301104 ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16|
BDBM50301105 CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:23|
BDBM50301106 CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)c1ccccc1 |r,c:18|
BDBM50299488 CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@H](N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,wD:14.15,c:5,20,22,t:2,(-3.88,-32.47,;-4.85,-33.66,;-4.3,-35.1,;-2.81,-35.51,;-2.73,-37.06,;-4.18,-37.6,;-5.15,-36.4,;-6.69,-36.47,;-7.4,-37.84,;-6.56,-39.14,;-8.93,-37.92,;-9.64,-39.29,;-8.8,-40.58,;-9.51,-41.95,;-11.05,-42.02,;-11.77,-43.39,;-11.89,-40.72,;-11.18,-39.36,;-1.37,-37.75,;-.08,-36.93,;-.15,-35.39,;-1.52,-34.68,;-1.59,-33.14,;-.29,-32.31,;-.37,-30.78,;.92,-29.94,;2.3,-30.65,;3.74,-30.11,;4.14,-28.62,;5.64,-28.24,;6.72,-29.34,;8.21,-28.95,;8.62,-27.47,;7.53,-26.37,;6.04,-26.76,;4.7,-31.31,;3.85,-32.59,;2.37,-32.19,;1.07,-33.02,)|
BDBM50299489 CCC1=C2C(N=C1NC(=O)O[C@H]1CC[C@@](C)(N)CC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,wU:11.11,14.16,wD:14.15,c:5,21,23,t:2,(15.77,-33.64,;14.8,-34.84,;15.34,-36.28,;16.84,-36.68,;16.91,-38.23,;15.46,-38.78,;14.49,-37.57,;12.96,-37.65,;12.25,-39.02,;13.09,-40.31,;10.71,-39.09,;10.01,-40.46,;10.84,-41.75,;10.13,-43.12,;8.59,-43.19,;7.05,-43.18,;9.35,-44.52,;7.76,-41.89,;8.47,-40.53,;18.28,-38.93,;19.57,-38.1,;19.49,-36.56,;18.13,-35.85,;18.06,-34.31,;19.35,-33.48,;19.28,-31.95,;20.57,-31.12,;21.94,-31.82,;23.38,-31.28,;23.79,-29.8,;25.28,-29.41,;26.36,-30.51,;27.85,-30.13,;28.26,-28.64,;27.17,-27.54,;25.69,-27.93,;24.34,-32.49,;23.5,-33.77,;22.01,-33.36,;20.72,-34.19,)|
BDBM50299490 CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |r,c:5,20,22,t:2|
BDBM50299491 CCC1=C2C(N=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2Nc1ccc2n(Cc3cccc(F)c3)ncc2c1 |r,c:5,20,22,t:2|
BDBM50299492 CCC1=C2C(N=C1NC(=O)OCC1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2|
BDBM50299493 CCC1=C2C(N=C1NC(=O)OCCN1CCCCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2|
BDBM50299494 CCC1=C2C(N=C1NC(=O)OCC1CCCNC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2|
BDBM50299495 CCC1=C2C(N=C1NC(=O)OCC1CCCCN1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2|
BDBM50299496 CCC1=C2C(N=C1NC(=O)OCCC1CCNCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2|
BDBM50299497 CCC1=C2C(N=C1NC(=O)OCCn1ccnc1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,20,22,t:2|
BDBM50299498 CCC1=C2C(N=C1NC(=O)OCCN1CCOCC1)N=CN=C2Nc1ccc2n(Cc3ccccc3)ncc2c1 |c:5,21,23,t:2|
BDBM50301107 CC(C)OC(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:24|
BDBM50301108 ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1)OC(=O)N1CCCC1 |r|
BDBM50301109 ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1)OC(=O)N1CCCC1 |r|
BDBM50301110 ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1)OC(=O)N1CCCC1 |r,c:15|
BDBM50301112 ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r|
BDBM50301113 CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r|
BDBM50301114 COC(=O)N1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r|
BDBM50301115 CN(C)C(=O)O[C@H]1C[C@@H]([C@H](N(C)C1)C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
BDBM50301116 CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CC=CC1 |r,c:33|
BDBM50301117 CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCC(F)(F)C1 |r|
BDBM50301118 CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCC1 |r|
BDBM50301119 CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCCC1 |r|
BDBM50301120 CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCCCC1 |r|
BDBM50301121 ONC(=O)[C@H]1C[C@H](CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16|
BDBM50301122 CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1 |r|
BDBM50301123 CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1)C(=O)c1ccccc1 |r|
BDBM50301124 NCCCCNC(=O)CC1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(C1)c1ccccc1 |r|
BDBM50308606 Oc1csc(N=NCc2cc(Cl)ccc2O)n1 |w:6.6|
BDBM50308607 Oc1csc(N=NCc2cc(F)ccc2O)n1 |w:6.6|
BDBM50308608 Oc1csc(N=NCc2cc(Br)cc(Br)c2O)n1 |w:6.6|
BDBM50308926 COc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1
BDBM50308927 Cc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1
BDBM50308928 Fc1ccccc1NC(=O)c1ccc(cc1)N(CCCl)CCCl
BDBM50308609 Oc1csc(N=NCc2cc(Cl)cc(Cl)c2O)n1 |w:6.6|
BDBM50308610 Oc1csc(N=NCc2ccc(Br)cc2)n1 |w:6.6|
BDBM50308611 Oc1csc(N=NCc2ccc(Cl)cc2)n1 |w:6.6|
BDBM50308929 ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccccc1Cl
BDBM50308930 ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccccc1Br
BDBM50308931 Fc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1
BDBM50308612 Oc1csc(N=NCc2ccc(F)cc2)n1 |w:6.6|
BDBM50308613 Cc1ccc(CN=Nc2nc(O)cs2)cc1 |w:6.5|
BDBM50308614 Oc1csc(N=NCc2ccc(O)cc2)n1 |w:6.6|
BDBM50308932 ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
BDBM50308933 ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccc(Br)cc1
BDBM50308934 [O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1
BDBM50308615 COc1ccc(CN=Nc2nc(O)cs2)cc1 |w:7.6|
BDBM50308616 Oc1csc(N=NCc2ccc(cc2)[N+]([O-])=O)n1 |w:6.6|
BDBM50308617 Oc1csc(N=NCc2cccc(Br)c2)n1 |w:6.6|
BDBM50308935 CCCN(CCC)C(=O)c1ccc(cc1)N(CCCl)CCCl
BDBM50308936 CCCCN(CCCC)C(=O)c1ccc(cc1)N(CCCl)CCCl
BDBM50308937 CN(C(=O)c1ccc(cc1)N(CCCl)CCCl)c1ccccc1
BDBM50308618 Oc1csc(N=NCc2cccc(Cl)c2)n1 |w:6.6|
BDBM50308619 Oc1csc(N=NCc2cccc(F)c2)n1 |w:6.6|
BDBM50308620 Oc1csc(N=NCc2cccc(O)c2)n1 |w:6.6|
BDBM50308940 CCCCCCCCCCCCNC(=O)c1ccc(cc1)N(CCCl)CCCl
BDBM50308941 ClCCN(CCCl)c1ccc(cc1)C(=O)NC1CCCC1
BDBM50308942 ClCCN(CCCl)c1ccc(cc1)C(=O)NCCCN1CCOCC1
BDBM50309547 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(I)cc12 |t:13|
BDBM50309548 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
BDBM50309549 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(F)cc12 |t:13|
BDBM50308621 Cc1cccc(CN=Nc2nc(O)cs2)c1 |w:7.6|
BDBM50308622 Oc1csc(N=NCc2cccc(c2)[N+]([O-])=O)n1 |w:6.6|
BDBM50308623 [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50308943 ClCCN(CCCl)c1ccc(cc1)C(=O)NCc1ccccc1
BDBM50308944 ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1cccc2ccccc12
BDBM50308624 COc1cccc(CN=Nc2nc(O)cs2)c1 |w:8.7|
BDBM50308625 [#8]-c1csc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50308626 [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50308627 [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-2)n1
BDBM50308628 [#8]-c1csc(-[#7]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)n1
BDBM50308629 CCCCN(Cc1cccc(Cl)c1O)C(=S)Nc1ccccc1
BDBM50308630 CCCCN(Cc1cccc(Br)c1O)C(=S)Nc1ccccc1
BDBM50308631 CCCCN(Cc1cccc(C)c1O)C(=S)Nc1ccccc1
BDBM50308632 CCCCN(Cc1cc(Cl)cc(Cl)c1O)C(=S)Nc1ccccc1
BDBM50308633 CCCCN(Cc1cc(Br)cc(Br)c1O)C(=S)Nc1ccccc1
BDBM50308634 Cc1cc(C)c(O)c(CN(Cc2ccccc2)C(=S)Nc2ccccc2)c1
BDBM50308635 CCCCN(Cc1cccc(Cl)c1O)C(=O)Nc1ccccc1
BDBM50308636 Cc1cc(C)c(O)c(CN(Cc2ccc(O)cc2)C(=O)Nc2ccccc2)c1
BDBM50308637 Oc1ccc(CN(Cc2cc(Br)cc(Br)c2O)C(=O)Nc2ccccc2)cc1
BDBM50308638 Oc1ccc(CN(Cc2cc(Cl)cc(Cl)c2O)C(=O)Nc2ccccc2)cc1
BDBM50308639 Cc1cccc(CN(Cc2ccc(O)cc2)C(=O)Nc2ccccc2)c1O
BDBM50308640 Oc1ccc(CN(Cc2cccc(Br)c2O)C(=O)Nc2ccccc2)cc1
BDBM50308641 Oc1ccc(CN(Cc2cccc(Cl)c2O)C(=O)Nc2ccccc2)cc1
BDBM50308642 Cc1cc(C)c(O)c(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)c1
BDBM50308643 Oc1c(Br)cc(Br)cc1CN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1
BDBM50308644 Oc1c(Cl)cc(Cl)cc1CN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1
BDBM50308645 Cc1cccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)c1O
BDBM50308646 Oc1c(Br)cccc1CN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1
BDBM50308647 Oc1c(Cl)cccc1CN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1
BDBM50308648 CCCCN(Cc1cccc(Br)c1O)C(=O)Nc1ccccc1
BDBM50308649 CCCCN(Cc1cccc(C)c1O)C(=O)Nc1ccccc1
BDBM50308650 CCCCN(Cc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccccc1
BDBM50308651 CCCCN(Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1
BDBM50308652 CCCCN(Cc1cc(C)cc(C)c1O)C(=O)Nc1ccccc1
BDBM50308653 Oc1c(Cl)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1
BDBM50308654 Oc1c(Br)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1
BDBM50308655 Cc1cccc(CN(Cc2ccc(F)cc2)C(=S)Nc2ccccc2)c1O
BDBM50308656 Oc1c(Cl)cc(Cl)cc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1
BDBM50308657 Oc1c(Br)cc(Br)cc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1
BDBM50308658 Cc1cc(C)c(O)c(CN(Cc2ccc(F)cc2)C(=S)Nc2ccccc2)c1
BDBM50308659 Oc1ccc(CN(Cc2cccc(Cl)c2O)C(=S)Nc2ccccc2)cc1
BDBM50308660 Oc1ccc(CN(Cc2cccc(Br)c2O)C(=S)Nc2ccccc2)cc1
BDBM50308661 Cc1cccc(CN(Cc2ccc(O)cc2)C(=S)Nc2ccccc2)c1O
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50308662 Oc1ccc(CN(Cc2cc(Cl)cc(Cl)c2O)C(=S)Nc2ccccc2)cc1
BDBM50308663 Oc1ccc(CN(Cc2cc(Br)cc(Br)c2O)C(=S)Nc2ccccc2)cc1
BDBM50308664 Cc1cc(C)c(O)c(CN(Cc2ccc(O)cc2)C(=S)Nc2ccccc2)c1
BDBM50308605 Oc1csc(N=NCc2cc(Br)ccc2O)n1 |w:6.6|
BDBM50308925 CC(C)c1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1
BDBM50315898 CN1CCc2cc(Nc3nccc(n3)-c3c(nc4sccn34)-c3cccc(NC(=O)Cc4ccccc4)c3)ccc2C1
BDBM50315899 CN(C)CCc1cccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)c1
BDBM50315900 Nc1nc2ccc(cc2[nH]1)-c1c(nc2sccn12)-c1cccc(NC(=O)c2ccccc2Cl)c1
BDBM50315901 Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccncc1
BDBM50315885 CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)cc1
BDBM50315886 O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
BDBM50315902 Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1
BDBM50315903 O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1)c1ccccc1
BDBM50315904 [O-][N+](=O)c1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccccc2)n1
BDBM50315887 C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
BDBM50315888 O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
BDBM50315889 O=C(CC1CCCCC1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50315890 O=C(CC1CCCC1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50315905 O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)c1ccccc1
BDBM50315906 Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50315891 O=C(Nc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50315892 O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)Oc1ccccc1
BDBM50315893 O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50315894 Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
BDBM50315895 CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
BDBM50315896 CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
BDBM50315897 Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc3CNCCc3c2)n1
BDBM50320203 CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1
BDBM50327947 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.03,-35.57,;-3.49,-34.1,;-5,-33.77,;-5.46,-32.31,;-4.43,-31.17,;-2.92,-31.49,;-2.45,-32.96,;-4.9,-29.71,;-3.86,-28.56,;-4.33,-27.09,;-5.84,-26.77,;-6.87,-27.92,;-6.4,-29.38,;-6.32,-25.31,;-5.42,-24.07,;-6.32,-22.82,;-5.55,-21.49,;-4.01,-21.49,;-3.24,-20.16,;-4.02,-18.82,;-3.25,-17.49,;-1.71,-17.48,;-.81,-16.22,;.66,-16.69,;1.97,-15.92,;3.3,-16.68,;3.31,-18.22,;1.98,-18.99,;1.99,-20.53,;.66,-18.23,;-.8,-18.71,;-5.56,-18.83,;-6.34,-17.5,;-6.32,-20.17,;-7.78,-23.3,;-9.11,-22.53,;-9.11,-20.99,;-10.45,-23.3,;-10.45,-24.84,;-9.11,-25.61,;-7.78,-24.84,)|
BDBM50327046 Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
BDBM50327948 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.94,-49.99,;-4.4,-48.53,;-5.91,-48.19,;-6.37,-46.73,;-5.34,-45.59,;-3.83,-45.91,;-3.36,-47.39,;-5.81,-44.13,;-4.78,-42.98,;-5.25,-41.51,;-6.76,-41.19,;-7.79,-42.34,;-7.32,-43.8,;-7.24,-39.73,;-6.33,-38.49,;-7.23,-37.24,;-6.46,-35.9,;-4.92,-35.91,;-4.16,-34.57,;-4.93,-33.24,;-4.16,-31.9,;-2.62,-31.9,;-1.72,-30.64,;-.26,-31.11,;1.06,-30.34,;2.39,-31.1,;2.4,-32.64,;1.07,-33.41,;1.08,-34.95,;-.25,-32.64,;-1.71,-33.13,;-6.48,-33.25,;-7.24,-34.58,;-8.7,-37.71,;-10.03,-36.95,;-10.03,-35.41,;-11.37,-37.72,;-11.37,-39.26,;-10.02,-40.03,;-8.7,-39.26,)|
BDBM50327949 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2C)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(58.49,-34.78,;58.03,-33.31,;56.53,-32.98,;56.06,-31.51,;57.09,-30.38,;58.6,-30.7,;59.07,-32.17,;56.62,-28.91,;57.66,-27.77,;57.19,-26.3,;55.68,-25.98,;54.65,-27.12,;55.12,-28.58,;55.2,-24.52,;56.11,-23.28,;55.2,-22.03,;55.97,-20.69,;55.2,-19.37,;55.96,-18.04,;57.51,-18.03,;58.27,-16.69,;59.81,-16.69,;60.71,-15.43,;62.18,-15.9,;63.5,-15.13,;64.82,-15.89,;64.83,-17.43,;63.51,-18.2,;63.51,-19.74,;62.18,-17.43,;60.72,-17.92,;58.28,-19.36,;57.51,-20.7,;58.28,-22.03,;53.74,-22.5,;52.41,-21.74,;52.41,-20.2,;51.07,-22.51,;51.07,-24.05,;52.41,-24.82,;53.74,-24.05,)|
BDBM50327950 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2Cl)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(39.66,-36.63,;39.2,-35.16,;37.69,-34.83,;37.23,-33.37,;38.26,-32.23,;39.77,-32.55,;40.23,-34.02,;37.79,-30.77,;38.82,-29.62,;38.35,-28.15,;36.84,-27.83,;35.81,-28.98,;36.28,-30.44,;36.37,-26.37,;37.27,-25.13,;36.37,-23.88,;37.14,-22.55,;36.36,-21.23,;37.12,-19.89,;38.67,-19.88,;39.44,-18.55,;40.98,-18.54,;41.88,-17.28,;43.34,-17.75,;44.66,-16.98,;45.99,-17.74,;46,-19.28,;44.67,-20.05,;44.68,-21.59,;43.34,-19.29,;41.89,-19.77,;39.44,-21.22,;38.68,-22.55,;39.45,-23.88,;34.9,-24.36,;33.58,-23.59,;33.57,-22.05,;32.24,-24.36,;32.24,-25.9,;33.58,-26.67,;34.9,-25.9,)|
BDBM50327951 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(Cl)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(10.51,-36.15,;10.04,-34.69,;8.54,-34.35,;8.07,-32.89,;9.1,-31.75,;10.62,-32.07,;11.08,-33.55,;8.63,-30.29,;9.67,-29.15,;9.2,-27.67,;7.69,-27.36,;6.66,-28.5,;7.13,-29.96,;7.21,-25.89,;8.12,-24.66,;7.21,-23.41,;7.98,-22.07,;9.52,-22.07,;10.29,-20.74,;9.52,-19.41,;10.28,-18.07,;11.82,-18.06,;12.72,-16.81,;14.19,-17.28,;15.51,-16.51,;16.84,-17.26,;16.84,-18.8,;15.52,-19.57,;15.52,-21.11,;14.19,-18.81,;12.73,-19.3,;7.97,-19.41,;7.19,-18.09,;7.21,-20.75,;5.75,-23.88,;4.42,-23.11,;4.42,-21.57,;3.09,-23.89,;3.08,-25.42,;4.43,-26.19,;5.75,-25.42,)|
BDBM50327952 COCCCN1CCC(CC1)N1CCC(CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12
BDBM50327953 CC(C)N1CCC(CC1)N1CCC(CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12
BDBM50327954 CN1CCC(CC1)N1CCC(CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12
BDBM50327955 CN(C)C(=O)CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:15.19,wD:12.12,(13.59,-15.08,;14.63,-13.94,;16.13,-14.28,;14.16,-12.48,;15.2,-11.34,;12.66,-12.14,;12.2,-10.68,;10.69,-10.34,;10.23,-8.88,;11.26,-7.74,;12.77,-8.06,;13.23,-9.54,;10.79,-6.28,;11.82,-5.14,;11.35,-3.66,;9.84,-3.35,;8.81,-4.49,;9.28,-5.95,;9.37,-1.88,;10.27,-.65,;9.37,.6,;10.14,1.94,;11.68,1.94,;12.44,3.27,;11.67,4.6,;12.44,5.94,;13.98,5.95,;14.88,7.2,;16.34,6.73,;17.66,7.51,;18.99,6.75,;19,5.21,;17.67,4.44,;17.67,2.9,;16.34,5.2,;14.89,4.71,;10.12,4.6,;9.36,3.26,;7.9,.13,;6.58,.9,;6.58,2.44,;5.24,.12,;5.24,-1.41,;6.58,-2.18,;7.91,-1.41,)|
BDBM50327956 COCCCN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:14.18,11.11,(1.96,-14.23,;1.49,-12.76,;-.01,-12.43,;-.47,-10.96,;-1.98,-10.63,;-2.44,-9.16,;-3.95,-8.83,;-4.41,-7.36,;-3.38,-6.23,;-1.87,-6.55,;-1.4,-8.02,;-3.85,-4.76,;-5.35,-4.43,;-5.82,-2.97,;-4.79,-1.83,;-3.28,-2.15,;-2.81,-3.62,;-5.27,-.37,;-4.37,.87,;-5.27,2.12,;-4.5,3.46,;-2.96,3.45,;-2.19,4.79,;-2.97,6.12,;-2.2,7.46,;-.66,7.46,;.24,8.73,;1.71,8.25,;3.02,9.03,;4.35,8.27,;4.36,6.72,;3.03,5.95,;3.04,4.41,;1.71,6.72,;.25,6.23,;-4.51,6.11,;-5.27,4.78,;-6.73,1.65,;-8.06,2.41,;-8.06,3.95,;-9.4,1.64,;-9.4,.1,;-8.06,-.67,;-6.73,.1,)|
BDBM50327957 COCCCN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:14.18,wD:11.11,(57.12,-57.29,;56.65,-55.82,;55.15,-55.49,;54.69,-54.02,;53.18,-53.69,;52.72,-52.22,;51.21,-51.88,;50.75,-50.42,;51.78,-49.29,;53.29,-49.61,;53.76,-51.08,;51.31,-47.82,;52.35,-46.68,;51.88,-45.2,;50.37,-44.89,;49.34,-46.03,;49.81,-47.49,;49.89,-43.42,;50.79,-42.19,;49.89,-40.94,;50.66,-39.6,;52.2,-39.61,;52.97,-38.27,;52.19,-36.94,;52.96,-35.6,;54.5,-35.6,;55.4,-34.34,;56.87,-34.81,;58.18,-34.04,;59.51,-34.79,;59.52,-36.34,;58.19,-37.11,;58.2,-38.65,;56.87,-36.34,;55.41,-36.83,;50.65,-36.95,;49.89,-38.28,;48.43,-41.41,;47.1,-40.65,;47.1,-39.11,;45.76,-41.42,;45.76,-42.95,;47.1,-43.72,;48.43,-42.95,)|
BDBM50327958 CC(C)N1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:12.16,9.9,(37.42,-54.67,;38.46,-53.54,;39.96,-53.87,;37.99,-52.07,;36.49,-51.74,;36.03,-50.27,;37.06,-49.14,;38.57,-49.46,;39.03,-50.93,;36.59,-47.67,;35.08,-47.34,;34.61,-45.88,;35.64,-44.74,;37.15,-45.06,;37.62,-46.53,;35.16,-43.28,;36.07,-42.04,;35.17,-40.79,;35.93,-39.45,;37.48,-39.46,;38.24,-38.12,;37.47,-36.79,;38.24,-35.45,;39.78,-35.45,;40.68,-34.19,;42.14,-34.66,;43.46,-33.89,;44.79,-34.65,;44.8,-36.19,;43.47,-36.96,;43.47,-38.5,;42.14,-36.19,;40.68,-36.68,;35.92,-36.8,;35.16,-38.13,;33.7,-41.26,;32.38,-40.5,;32.37,-38.96,;31.04,-41.27,;31.04,-42.81,;32.38,-43.58,;33.7,-42.81,)|
BDBM50327959 CC(C)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:12.16,wD:9.9,(22.26,-53.97,;23.3,-52.84,;24.8,-53.17,;22.84,-51.37,;21.33,-51.04,;20.87,-49.57,;21.9,-48.44,;23.41,-48.76,;23.87,-50.23,;21.43,-46.97,;22.46,-45.83,;21.99,-44.36,;20.48,-44.04,;19.45,-45.18,;19.92,-46.64,;20.01,-42.58,;20.91,-41.34,;20.01,-40.09,;20.78,-38.75,;22.32,-38.76,;23.08,-37.42,;22.31,-36.09,;23.08,-34.75,;24.62,-34.75,;25.52,-33.49,;26.98,-33.96,;28.3,-33.19,;29.63,-33.95,;29.64,-35.49,;28.31,-36.26,;28.31,-37.8,;26.98,-35.49,;25.53,-35.98,;20.76,-36.1,;20,-37.43,;18.54,-40.56,;17.22,-39.8,;17.22,-38.26,;15.88,-40.57,;15.88,-42.11,;17.22,-42.88,;18.55,-42.11,)|
BDBM50327960 Nc1ncnc2n(nc(-c3ccc(Nc4nc5cccc(Cl)c5o4)cc3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:27.31,wD:30.38,(5.09,-36.95,;5.09,-38.49,;3.76,-39.26,;3.75,-40.8,;5.1,-41.57,;6.42,-40.8,;7.88,-41.27,;8.79,-40.03,;7.89,-38.78,;8.65,-37.45,;10.2,-37.45,;10.96,-36.12,;10.19,-34.78,;10.96,-33.45,;12.5,-33.44,;13.4,-32.18,;14.86,-32.65,;16.18,-31.88,;17.51,-32.64,;17.52,-34.18,;16.19,-34.95,;16.2,-36.49,;14.87,-34.19,;13.41,-34.67,;8.64,-34.79,;7.88,-36.13,;6.42,-39.26,;8.36,-42.74,;9.87,-43.05,;10.34,-44.53,;9.31,-45.67,;7.8,-45.34,;7.33,-43.88,;9.78,-47.14,;8.75,-48.27,;9.21,-49.74,;10.71,-50.07,;11.75,-48.93,;11.29,-47.46,)|
BDBM50327961 CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cc(C)cc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(40.74,-32.92,;40.28,-31.45,;38.77,-31.12,;38.31,-29.66,;39.34,-28.52,;40.85,-28.84,;41.31,-30.31,;38.87,-27.05,;37.36,-26.73,;36.89,-25.27,;37.91,-24.13,;39.43,-24.44,;39.9,-25.91,;37.43,-22.66,;38.34,-21.41,;37.44,-20.17,;37.92,-18.71,;37.15,-17.37,;37.92,-16.04,;39.46,-16.05,;40.23,-14.72,;41.77,-14.72,;42.68,-13.47,;44.15,-13.95,;45.48,-13.18,;46.82,-13.95,;48.15,-13.17,;46.82,-15.5,;45.48,-16.27,;45.48,-17.81,;44.15,-15.5,;42.68,-15.97,;40.23,-17.38,;39.47,-18.71,;35.97,-20.65,;34.65,-19.88,;34.65,-18.34,;33.31,-20.65,;33.32,-22.19,;34.65,-22.95,;35.97,-22.19,)|
BDBM50327962 CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,7.7,(13.8,-30.58,;13.33,-29.12,;11.83,-28.78,;11.36,-27.32,;12.39,-26.18,;13.9,-26.5,;14.37,-27.98,;11.92,-24.72,;10.42,-24.39,;9.95,-22.93,;10.97,-21.79,;12.48,-22.1,;12.96,-23.57,;10.49,-20.33,;11.4,-19.08,;10.5,-17.84,;10.98,-16.38,;12.52,-16.37,;13.29,-15.04,;12.52,-13.72,;13.29,-12.38,;14.83,-12.39,;15.74,-11.14,;17.21,-11.62,;18.54,-10.85,;19.87,-11.61,;19.88,-13.16,;18.54,-13.94,;18.54,-15.48,;17.21,-13.16,;15.74,-13.64,;10.98,-13.71,;10.21,-12.37,;10.21,-15.04,;9.03,-18.31,;7.7,-17.55,;7.71,-16.01,;6.37,-18.31,;6.37,-19.86,;7.7,-20.62,;9.03,-19.85,)|
BDBM50327963 CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 |r,wU:10.14,7.7,(-.24,-28.93,;-.7,-27.46,;-2.21,-27.13,;-2.68,-25.67,;-1.64,-24.53,;-.13,-24.85,;.33,-26.32,;-2.12,-23.06,;-3.62,-22.74,;-4.09,-21.28,;-3.07,-20.14,;-1.56,-20.45,;-1.08,-21.92,;-3.55,-18.67,;-2.64,-17.42,;-3.54,-16.18,;-3.06,-14.72,;-3.83,-13.38,;-3.06,-12.05,;-1.52,-12.06,;-.75,-10.73,;.79,-10.73,;1.7,-9.48,;3.17,-9.96,;4.5,-9.19,;5.83,-9.96,;5.84,-11.51,;4.5,-12.28,;4.5,-13.82,;3.17,-11.51,;1.7,-11.98,;-.75,-13.39,;-1.52,-14.72,;-5.01,-16.66,;-6.34,-15.89,;-6.33,-14.35,;-7.67,-16.66,;-7.66,-18.2,;-6.33,-18.96,;-5.01,-18.2,)|
BDBM50327964 CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Nc3nc4cc(C)cc(Br)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,7.7,(11.28,-10.54,;10.82,-9.08,;9.31,-8.74,;8.85,-7.28,;9.88,-6.15,;11.39,-6.46,;11.85,-7.94,;9.41,-4.68,;7.9,-4.35,;7.43,-2.9,;8.45,-1.76,;9.97,-2.07,;10.44,-3.54,;7.97,-.29,;8.88,.95,;7.98,2.19,;8.46,3.66,;10.01,3.66,;10.77,4.99,;10,6.31,;10.77,7.65,;12.31,7.65,;13.22,8.91,;14.69,8.42,;16.02,9.2,;17.35,8.42,;18.68,9.2,;17.36,6.87,;16.02,6.1,;16.02,4.56,;14.69,6.87,;13.22,6.39,;8.46,6.32,;7.7,7.67,;7.69,4.99,;6.52,1.72,;5.19,2.49,;5.19,4.03,;3.86,1.72,;3.86,.18,;5.19,-.58,;6.51,.18,)|
BDBM50327965 CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Nc3nc4cc(C)cc(C)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,7.7,(-3.05,-9.75,;-3.52,-8.28,;-5.02,-7.95,;-5.49,-6.49,;-4.46,-5.35,;-2.95,-5.67,;-2.48,-7.14,;-4.93,-3.89,;-6.43,-3.56,;-6.9,-2.1,;-5.88,-.96,;-4.37,-1.27,;-3.9,-2.74,;-6.36,.5,;-5.45,1.75,;-6.35,2.99,;-5.88,4.45,;-4.33,4.45,;-3.56,5.78,;-4.34,7.11,;-3.56,8.44,;-2.03,8.45,;-1.12,9.7,;.36,9.22,;1.68,9.99,;3.02,9.21,;4.35,9.99,;3.02,7.67,;1.69,6.89,;1.69,5.35,;.35,7.67,;-1.12,7.18,;-5.87,7.12,;-6.64,8.46,;-6.64,5.79,;-7.82,2.51,;-9.15,3.28,;-9.14,4.82,;-10.48,2.51,;-10.47,.97,;-9.14,.21,;-7.82,.97,)|
BDBM50322322 Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1[N+]([O-])=O)[N+]([O-])=O
BDBM50322323 COc1ccccc1\C=C\C(=O)OCCn1c(C)ncc1[N+]([O-])=O
BDBM50322324 Cc1ncc(n1CCOC(=O)\C=C\c1cccc(c1)[N+]([O-])=O)[N+]([O-])=O
BDBM50322325 Cc1ncc(n1CCOC(=O)\C=C\c1cccc(F)c1)[N+]([O-])=O
BDBM50322326 COc1cccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)c1
BDBM50320831 CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN(CC)CC)c(OC)cc34)ccc2s1
BDBM50320832 CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN5CCC(C)CC5)c(OC)cc34)ccc2s1
BDBM50322327 Cc1ncc(n1CCOC(=O)\C=C\c1cccc2ccccc12)[N+]([O-])=O
BDBM50322328 Cc1ncc(n1CCOC(=O)\C=C\c1ccc2ccccc2c1)[N+]([O-])=O
BDBM50322329 Cc1ncc(n1CCOC(=O)\C=C\c1ccc(F)cc1)[N+]([O-])=O
BDBM50322330 Cc1ncc(n1CCOC(=O)\C=C\c1ccc(Cl)cc1)[N+]([O-])=O
BDBM50322331 Cc1ncc(n1CCOC(=O)\C=C\c1ccc(Br)cc1)[N+]([O-])=O
BDBM50322332 Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1)[N+]([O-])=O
BDBM50322333 Cc1ncc(n1CCOC(=O)\C=C\c1ccc(C)cc1)[N+]([O-])=O
BDBM50322334 COc1ccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)cc1
BDBM50322335 CC(C)c1ccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)cc1
BDBM50322336 Cc1ncc(n1CCOC(=O)\C=C\c1ccc(cc1)-c1ccccc1)[N+]([O-])=O
BDBM50322337 Cc1ncc(n1CCOC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)[N+]([O-])=O
BDBM50322338 Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1F)[N+]([O-])=O
BDBM50322339 Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1Cl)[N+]([O-])=O
BDBM50322340 Cc1ncc(n1CCOC(=O)\C=C\c1ccccc1Br)[N+]([O-])=O
BDBM50321943 NS(=O)(=O)c1ccc(Nc2nc(nc3nc[nH]c23)N2CCOCC2)cc1
BDBM50321998 NC(=S)N1N=C(CC1c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |c:4|
BDBM50322009 COc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)c(C)c1 |c:11|
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326046 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326061 OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50338587 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCCN1CCOCC1
BDBM50338588 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCOCC2)cc1
BDBM50338589 C\C(=C/c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCN1CCOCC1
BDBM50338590 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\c1ccc(CN2CCOCC2)cc1
BDBM50338591 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCN1CCOCC1
BDBM50338592 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\C(=O)NCCN1CCOCC1
BDBM50338593 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCN1CCCC1
BDBM50338594 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCS(C)(=O)=O
BDBM50338595 CCN1CCN(CC1)C(=O)C(\F)=C\c1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50338596 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCN1CCOCC1
BDBM50338597 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCN1CCOCC1
BDBM50338598 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#C\C=N\OCCN1CCOCC1
BDBM50338599 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCCN1CCCC1
BDBM50338600 CCN1CCN(CCCC#Cc2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)CC1
BDBM50338601 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#CCCNCc1ccccc1
BDBM50338603 Cc1cc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)ncn1
BDBM50338604 Fc1cccc(COc2ccc(Nc3cc(ncn3)-c3ccccc3)cc2Cl)c1
BDBM50338605 Fc1cccc(COc2ccc(Nc3cc(ncn3)-c3cccnc3)cc2Cl)c1
BDBM50338606 Fc1cccc(COc2ccc(Nc3cc(ncn3)-c3ccsc3)cc2Cl)c1
BDBM50338607 Fc1cccc(COc2ccc(Nc3cc(ncn3)N3CCCC3)cc2Cl)c1
BDBM50338608 Fc1cccc(COc2ccc(Nc3cc(Oc4ccccc4)ncn3)cc2Cl)c1
BDBM50338609 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C
BDBM50338610 CCc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C
BDBM50338611 Cc1c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)ncnc1-c1ccccc1
BDBM50338612 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=N\OCCN1CCOCC1
BDBM50338613 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=N\OCCCN1CCOCC1
BDBM50338614 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1-c1cccc(CN2CCOCC2)c1
BDBM50341628 CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
BDBM50332489 Nc1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332490 ONC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332491 ONC(=O)\C=C\c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332492 ONC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332493 ONC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332494 ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50332483 ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332484 Nc1ccccc1NC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332485 Nc1ccccc1NC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332486 Nc1ccccc1NC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332487 Nc1ccccc1NC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50332488 Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50333372 NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1
BDBM50333373 Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r|
BDBM50333374 NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1
BDBM50333375 NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1
BDBM50333376 Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
BDBM50333377 Cc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1
BDBM50333378 NC1CCN(Cc2ccn3ncnc(Nc4cccc(F)c4)c23)CC1
BDBM50333379 NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)C#C)c23)CC1
BDBM50333380 NC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1
BDBM50333381 C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1 |r|
BDBM50333382 Cc1ccccc1Nc1ncnn2ccc(CN3CCC(N)CC3)c12
BDBM50333383 NC1CCN(Cc2ccn3ncnc(Nc4cc(Cl)cc(Cl)c4)c23)CC1
BDBM50333384 COc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1Cl
BDBM50333385 Cn1ncc2cc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)ccc12
BDBM50333386 CC(C)Nc1ncnn2ccc(CN3CCC(N)CC3)c12
BDBM50333387 Cn1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 |r|
BDBM50344664 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
BDBM50335374 COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
BDBM50334594 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
BDBM50352760 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM50353971 Clc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
BDBM50353972 Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
BDBM50353973 Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
BDBM50353974 Clc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM50353975 Clc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
BDBM50353976 Brc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
BDBM50353977 Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
BDBM50353978 Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
BDBM50353979 Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
BDBM50353980 COc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
BDBM50353981 COc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
BDBM50353982 COc1ccc(CC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
BDBM50353983 COc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM50353984 COc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
BDBM50353985 Brc1cccc(CC(=O)NS(=O)(=O)c2ccccc2)c1
BDBM50353986 Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
BDBM50353987 Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
BDBM50353988 Brc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
BDBM50353962 Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccccc1)[N+]([O-])=O
BDBM50353963 Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(C)cc1)[N+]([O-])=O
BDBM50353964 Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
BDBM50353965 Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
BDBM50353989 Cc1ncc(n1CC(=O)NS(=O)(=O)c1ccc(F)cc1)[N+]([O-])=O
BDBM50353990 Brc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
BDBM50353991 Fc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cccc(Br)c1
BDBM50353967 Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1ccc(F)cc1
BDBM50353968 Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
BDBM50353969 Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM50353970 Fc1ccc(CC(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
BDBM50353966 Fc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1
BDBM50357355 COC(=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:14|
BDBM50358430 CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358431 Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccccc1
BDBM50358432 Fc1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl
BDBM50358433 Fc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
BDBM50358434 Clc1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl
BDBM50358435 Clc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
BDBM50358436 Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccccc1C#N
BDBM50358437 Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1cccc(c1)C#N
BDBM50358438 Clc1cc(Nc2ncnc3cc[nH]c23)ccc1Oc1ccc(cc1)C#N
BDBM50358439 FC(F)(F)c1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl
BDBM50358440 FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
BDBM50358441 FC(F)(F)Oc1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl
BDBM50358442 FC(F)(F)Oc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
BDBM50358443 Cc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
BDBM50358444 COc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
BDBM50358445 Fc1cccc(COc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
BDBM50358446 Clc1cc(Nc2ncnc3cc[nH]c23)ccc1OCc1ccccn1
BDBM50358447 Cc1ccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2C)cn1
BDBM50358448 Cn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
BDBM50358449 Cn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358450 Cn1ccc2ncnc(Nc3ccc(Oc4cccc(OC(F)(F)F)c4)c(Cl)c3)c12
BDBM50358451 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
BDBM50358452 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358453 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(OC(F)(F)F)c4)c(Cl)c3)c12
BDBM50358454 OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
BDBM50358455 OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358456 OCCOCCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358457 OCCCCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358458 OCCNCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358459 OCCSCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358460 OCCS(=O)CCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358461 OCCS(=O)(=O)CCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358462 Cc1cc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2n1CCOCCO
BDBM50358463 OCCOCCn1c(cc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)C#N
BDBM50358464 OCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358465 CN(CCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)C(=O)CO
BDBM50358466 CC(C)(O)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358467 OCCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50358468 OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(OC(F)(F)F)c4)c(Cl)c3)c12
BDBM50348880 Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1
BDBM50360123 Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1
BDBM50360124 CC(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1
BDBM50360125 Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)C=C)c4)ncn3)cc2Cl)c1
BDBM50360126 CCOC(=O)\C=C\C(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1
BDBM50360127 CCOC(=O)CNc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1
BDBM50360128 Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)CC#N)c4)ncn3)cc2Cl)c1
BDBM50360129 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1
BDBM50360130 Nc1cc(Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)ncn1
BDBM50360131 Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NCc5ccccc5)c4)ncn3)cc2Cl)c1
BDBM50360132 Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)\C=C\c5ccccc5)c4)ncn3)cc2Cl)c1
BDBM50360133 Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)COc5ccccc5)c4)ncn3)cc2Cl)c1
BDBM50360134 Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)Cc5cc(F)c(F)cc5F)c4)ncn3)cc2Cl)c1
BDBM50360135 Fc1ccc(\C=C\C(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1
BDBM50363167 Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
BDBM50360136 COc1ccc(\C=C\C(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1OC
BDBM50360137 Fc1cccc(COc2ccc(Nc3cc(Oc4cccc(NC(=O)COc5cc(F)c(F)c(F)c5)c4)ncn3)cc2Cl)c1
BDBM50360138 COc1ccc(OCC(=O)Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)cc1OC
BDBM50360139 [O-][N+](=O)c1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1
BDBM50360453 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
BDBM50360455 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccccc1
BDBM50360456 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CNCCS(C)(=O)=O)cc1
BDBM50360457 CC(C)NCc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50360458 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)cc1
BDBM50360459 CN(C)Cc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50360460 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)o1
BDBM50360461 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)s1
BDBM50360462 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ncc(CN2CCCC2)s1
BDBM50360463 CN(C)Cc1cccc(c1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50360464 CC(C)NCc1ccc(OCC#Cc2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1
BDBM50360465 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\c1ccc(CNCCS(C)(=O)=O)cc1
BDBM50360466 CC(C)NCc1ccc(\C=C\c2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1
BDBM50360467 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\c1ccc(CNC2CC2)cc1
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50357312 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
BDBM50350069 Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)c(F)c2)c1=O
BDBM50361196 CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
BDBM50373872 Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1
BDBM50373852 Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1
BDBM50373853 CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1
BDBM50373854 Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2F)cn1
BDBM50373855 CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1
BDBM50373857 CNCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50373858 Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2Cl)cn1
BDBM50373859 OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50373860 OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1
BDBM50373861 COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1
BDBM50373862 Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1
BDBM50373863 COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1
BDBM50373864 COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1
BDBM50373865 Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2C)cn1
BDBM50373866 Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1
BDBM50373867 OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1
BDBM50373868 Clc1cc(Nc2ncnc3n[nH]c(OCCCN4CCOCC4)c23)ccc1OCc1ccccn1
BDBM50373869 CC(=O)N1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1
BDBM50373870 OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1
BDBM50373871 Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCCCO4)c23)ccc1OCc1ccccn1
BDBM50375639 CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1
BDBM50376365 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
BDBM50376366 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3F)c2cc1OC
BDBM50375300 COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
BDBM50371371 COc1cc(Nc2ncnc3cccc(O[C@H](C)C(=O)N4CCOCC4)c23)ccc1Oc1ccc(C)nc1
BDBM50371372 C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c12)C(=O)N1CCOCC1
BDBM50371373 C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N1CCOCC1
BDBM50371374 CN(CCO)C(=O)COc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12
BDBM50371375 CN1CCN(CC1)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50371376 Clc1cc(Nc2ncnc3cccc(OCC(=O)N4CCOCC4)c23)ccc1OCc1ccccn1
BDBM50371357 CN(CCO)C(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50371358 C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO
BDBM50371359 C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N1CCOCC1
BDBM50371360 C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)NCCO
BDBM50371361 C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N1CCOCC1
BDBM50371362 C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C
BDBM50371363 C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO
BDBM50371364 C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C
BDBM50371365 NC(=O)COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50371366 C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C
BDBM50371367 CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50371368 C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO
BDBM50371369 C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO
BDBM50371370 COCCN(C)C(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12
BDBM50383044 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN(C)C
BDBM50383045 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
BDBM50365902 Cc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1nc(O)cs1 |t:8|
BDBM50365903 Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1nc(O)cs1 |t:8|
BDBM50365904 Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Br)cc1)c1nc(O)cs1 |t:8|
BDBM50365905 Cc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(C)cc1 |c:10|
BDBM50365906 COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(C)cc1 |c:11|
BDBM50365907 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(O)cs1 |t:9|
BDBM50365908 COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1nc(O)cs1 |t:9|
BDBM50365909 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1nc(O)cs1 |t:9|
BDBM50365910 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Br)cc1)c1nc(O)cs1 |t:9|
BDBM50365911 COc1ccc(cc1)C1=NN(C(C1)c1ccc(C)cc1)c1nc(O)cs1 |t:9|
BDBM50365912 COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(OC)cc1 |c:11|
BDBM50365913 Oc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:8|
BDBM50365914 Oc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:8|
BDBM50365915 Oc1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:8|
BDBM50365916 Oc1csc(n1)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:8|
BDBM50365917 Cc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccccc1 |c:10|
BDBM50365918 COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccccc1 |c:11|
BDBM50365919 Oc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1 |c:8|
BDBM50365920 Oc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1ccc(F)cc1 |c:8|
BDBM50365921 Oc1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(F)cc1 |c:8|
BDBM50365922 Oc1csc(n1)N1N=C(CC1c1ccc(Br)cc1)c1ccc(F)cc1 |c:8|
BDBM50365923 Cc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(F)cc1 |c:10|
BDBM50365924 COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(F)cc1 |c:11|
BDBM50365925 Oc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:8|
BDBM50365926 Oc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Cl)cc1 |c:8|
BDBM50365927 Oc1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:8|
BDBM50365928 Oc1csc(n1)N1N=C(CC1c1ccc(Br)cc1)c1ccc(Cl)cc1 |c:8|
BDBM50365929 Cc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(Cl)cc1 |c:10|
BDBM50365930 COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(Cl)cc1 |c:11|
BDBM50365931 Oc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1 |c:8|
BDBM50365932 Oc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:8|
BDBM50365933 Oc1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Br)cc1 |c:8|
BDBM50365934 Oc1csc(n1)N1N=C(CC1c1ccc(Br)cc1)c1ccc(Br)cc1 |c:8|
BDBM50365935 Cc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(Br)cc1 |c:10|
BDBM50365936 COc1ccc(cc1)C1CC(=NN1c1nc(O)cs1)c1ccc(Br)cc1 |c:11|
BDBM50365937 Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(O)cs1 |t:8|
BDBM50366114 CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
BDBM50377268 CO\N=C\c1c(N)ncnc1NCc1ccc(F)c(Cl)c1
BDBM50377271 COc1ccccc1CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50377272 Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\OCc1ccccc1
BDBM50377273 CC(C)CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50377274 CCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50377275 Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1CN=O
BDBM50377276 CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1
BDBM50377277 CO\N=C\c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
BDBM50377278 CO\N=C\c1c(N)ncnc1Nc1ccc2N(Cc3cccc(F)c3)CCc2c1
BDBM50377279 CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ccc2c1
BDBM50377280 CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3ccc(F)cc3)ncc2c1
BDBM50377282 CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(c3)C#N)ncc2c1
BDBM50377283 CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(Cl)c3)ncc2c1
BDBM50377284 CO\N=C\c1c(N)ncnc1Nc1ccc2[nH]ncc2c1
BDBM50377285 COCCO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50377286 CC(C)O\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
BDBM50377287 CO\N=C\c1c(N)ncnc1Nc1ccc2nc(Cc3cccc(F)c3)[nH]c2c1
BDBM50377288 CO\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3ccccc3)ncc2c1
BDBM50377269 CO\N=C\c1c(N)ncnc1Nc1cccc(Br)c1
BDBM50377270 CO\N=C\c1c(N)ncnc1Nc1ccc(F)c(Cl)c1
BDBM50377352 CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
BDBM50377357 CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
BDBM50378414 ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1)OC(=O)N1CCCC1 |r|
BDBM50370935 CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC
BDBM50370758 Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)c4ccccc4)o3)cc2Cl)c1
BDBM50390444 C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50390489 CN(C)c1ccc(\C=C\c2ccc3ncnc(NCc4ccccc4)c3c2)cc1
BDBM50390670 Clc1cccc(Nc2ncnc3ccc(NCc4ccc5OCOc5c4)cc23)c1
BDBM50390673 Brc1cccc(Nc2ncnc3ccc(NCc4ccc5OCCCOc5c4)cc23)c1
BDBM50390676 Clc1cccc(Nc2ncnc3ccc(NCc4ccc5OCCCCOc5c4)cc23)c1
BDBM50384888 Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
BDBM50394210 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9|
BDBM50391641 CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O
BDBM50391642 CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
BDBM50391643 CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
BDBM50391644 CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O
BDBM50391645 CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
BDBM50391646 CC(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50391647 CCS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50391648 CC(C)(C)S(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50391649 CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50386693 CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM50386694 OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5CNC(=O)c5c4)c(Cl)c3)c12
BDBM50386695 OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5NC(=O)Cc5c4)c(Cl)c3)c12
BDBM50386696 Clc1cc(Nc2ncnc3ccn(CCNC(=O)[C@@H]4CCCN4)c23)ccc1Oc1cccc2sncc12 |r|
BDBM50386697 CC(C)(C)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM50386698 CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12)S(C)(=O)=O
BDBM50386699 CC(C)(CO)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM50386700 CC(C)(O)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM50386701 CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM50386702 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM50386703 Cn1ncc2c(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cccc12
BDBM50386704 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c12
BDBM50386705 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)c12
BDBM50386706 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c12
BDBM50386707 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5NC(=O)Cc45)c(Cl)c3)c12
BDBM50386708 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CC(=O)Nc45)c(Cl)c3)c12
BDBM50386709 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CNC(=O)c45)c(Cl)c3)c12
BDBM50386710 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5C(=O)NCc45)c(Cl)c3)c12
BDBM50386711 OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5CC(=O)Nc5c4)c(Cl)c3)c12
BDBM50386712 OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5C(=O)NCc5c4)c(Cl)c3)c12
BDBM50386713 CC(C)(C)NC(=O)c1cccc(Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)c1
BDBM50395892 Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
BDBM612264 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50400822 Brc1ccc(cc1)S1=NS(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc12 |t:8|
BDBM50401285 CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1
BDBM50400825 CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:15|
BDBM50400827 FC(F)(F)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:14|
BDBM50400828 NC(=O)c1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:13|
BDBM50400863 Brc1ccc(cc1)S1=NS(=O)(=O)c2cnccc12 |t:8|
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50400826 Brc1ccc(cc1)S1=NS(=O)(=O)c2cc(ccc12)C#N |t:8|
BDBM50400829 Fc1ccc2c(c1)S(=O)(=O)N=S2c1ccc(Br)cc1 |c:11|
BDBM50409738 COc1cc(\C=C(\C#N)C(N)=O)cc(CSCc2ccc(Cl)cc2)c1O
BDBM50409740 Oc1ccc(CNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1
BDBM50409737 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#16]-[#6]-[#6](-[#8])=O)c1-[#8]
BDBM50409732 Cc1cc(C)c(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(C)c1
BDBM50409733 COc1cc(\C=C(/C#N)C(N)=O)cc(SCCC(O)=O)c1O
BDBM50409734 COc1cc(\C=C(/C#N)C(N)=O)cc(SCCCC(O)=O)c1O
BDBM50409735 COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2cccc3ccccc23)c1O
BDBM50409736 CC(C)(C)Oc1cc(C=C(C#N)C(N)=S)cc(c1O)C(C)(C)C |w:8.7|
BDBM50413752 COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
BDBM608437 CN(C)C(=O)Oc1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ncccc12
BDBM608424 CN(C)C(=O)c1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(F)c1
BDBM608439 CCc1cc(OC(=O)N(C)C)ccc1Nc1nn(C2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM608459 CN(C)C(=O)Oc1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
BDBM50402020 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
BDBM608400 CN(C)C(=O)Cc1cc(C)c(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Br
BDBM608401 CN(C)C(=O)Cc1cc(Cl)c(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C
BDBM608402 CN(C)C(=O)Cc1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1C
BDBM608403 CN(C)C(=O)Cc1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM608404 CN(C)C(=O)Cc1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
BDBM608420 CN(C)C(=O)c1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1
BDBM50415620 COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
BDBM608467 CN(C)C\C=C/C(=O)N1CCCC(C1)n1nc(Nc2ccc(OC(=O)N(C)C)c3ccccc23)c2c(N)ncnc12
BDBM608469 CN(c1ccccc1)c1ccc(Nc2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM608480 C[C@@H]1CCC(N1C(=O)C=C)n1nc(Nc2ccc(CC(=O)N(C)C)c(C)c2C)c2c(N)ncnc12
BDBM608479 C[C@@H]1CCC(N1C(=O)C=C)n1nc(Nc2ccc(CC(=O)N(C)C)cc2Cl)c2c(N)ncnc12
BDBM50415616 COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
BDBM50411406 O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
BDBM50427225 Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
BDBM50427226 Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
BDBM50427227 COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
BDBM50427228 NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4|
BDBM50427229 Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8|
BDBM50427230 COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9|
BDBM50427231 COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9|
BDBM50427232 Brc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
BDBM50427233 Clc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
BDBM50427234 Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8|
BDBM50427235 C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 |c:3|
BDBM50427236 Clc1ccc(cc1Cl)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9|
BDBM50427237 Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
BDBM50427238 Brc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
BDBM50427239 Clc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
BDBM50427240 Fc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8|
BDBM50427241 C1C(N(N=C1c1ccccc1)c1ccccc1)c1cccc2ccccc12 |c:3|
BDBM50427242 COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:9|
BDBM50427243 NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Br)cc1 |c:4|
BDBM50427244 NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)cc1 |c:4|
BDBM50427245 NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(F)cc1 |c:4|
BDBM50427246 NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccccc1 |c:4|
BDBM50427247 NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 |c:4|
BDBM50427248 Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:8|
BDBM50427249 NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Br)cc1 |c:4|
BDBM50427250 NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)cc1 |c:4|
BDBM50427251 NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(F)cc1 |c:4|
BDBM50427252 NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccccc1 |c:4|
BDBM50424976 Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
BDBM50424977 COc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(Br)cc1 |c:16|
BDBM50424978 Cc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
BDBM50424979 Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
BDBM50424980 COc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:16|
BDBM50424981 Clc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8|
BDBM50432373 OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
BDBM50432374 CS(=O)(=O)CCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:9|
BDBM50432375 COC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:4|
BDBM50432376 CS(=O)(=O)CCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2NCC1 |t:9|
BDBM50432377 OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2NCC1 |t:6|
BDBM50432378 COC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2NCC1 |t:4|
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50428475 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50428476 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50428477 C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
BDBM50429477 FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
BDBM50428737 Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
BDBM50428738 Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
BDBM50428740 Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
BDBM50430287 CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O
BDBM50430288 CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(C)c3-c2c1
BDBM50430289 CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
BDBM50442174 CN(C)C\C=C\C(=O)N1CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc12
BDBM50437353 CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
BDBM50436152 O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
BDBM130909 CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50020165 Nc1ncnc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12
BDBM50020471 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1
BDBM50020476 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1
BDBM140984 NS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM140986 CSCCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM140988 Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)CC(F)(F)F)o3)cc2Cl)c1
BDBM139540 CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM50030387 CS(=O)(=O)CC(N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50033373 CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50033374 CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
BDBM50033375 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1
BDBM50033381 CN(C)C\C=C(\F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50041978 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
BDBM50061709 Brc1cccnc1NC(=S)NNC(=O)Cc1c[nH]c2ccccc12
BDBM50061711 Cc1ccc2c(C)nc(Nc3nc(O)cc(CSc4nnnn4-c4ccccc4)n3)nc2c1
BDBM50029668 COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
BDBM192316 CO[C@@H]1COC2[C@@H](COC12)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C |r|
BDBM192317 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1C2COCC12
BDBM192318 CN(C)CC\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@]12C[C@@H]1COC2 |r|
BDBM192319 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@]12C[C@H]1COC2 |r|
BDBM192320 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC12CC1COC2
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50073942 [O-][S+]1CCN(Cc2ccc(o2)-c2cc3c(Nc4ccc(OCc5cccc(F)c5)cc4)ncnc3cn2)CC1
BDBM50073943 CN(CCO)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
BDBM50030375 CS(=O)(=O)CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50030376 CN(C)C(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50030378 CCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
BDBM50030379 CNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50030380 CN(C)[C@@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
BDBM50030381 CCCCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
BDBM50030382 CCNC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50030384 CC(C)NC(CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50030385 CS(=O)(=O)C[C@@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
BDBM50030388 CS(=O)(=O)CC(NC1CCCCC1)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50030389 CS(=O)(=O)C[C@H](N)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
BDBM50033380 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCOCC1
BDBM50073941 CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1
BDBM50033376 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
BDBM50033384 F\C(=C/CN1CCOCC1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM194087 CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
BDBM50030377 CCCCC(=O)ON[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
BDBM50030383 CN(C)[C@H](CS(C)(=O)=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 |r|
BDBM50134262 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)C(F)(F)F |c:4|
BDBM50134264 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Br)cc1 |c:4|
BDBM209866 C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
BDBM50134236 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |c:4|
BDBM50134253 CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
BDBM50134256 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(F)cc1 |c:4|
BDBM50134259 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(I)cc1 |c:25|
BDBM50123803 CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50143216 Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1
BDBM50134263 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)C(F)(F)F |c:25|
BDBM50134265 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccccc1 |c:4|
BDBM50134266 COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
BDBM50102463 Cc1ccc2c(c1)cc(C1C(C#N)=C(N)N(C3=C1C(=O)CCC3)c1cccnc1)c1nnnn21 |c:17,t:13|
BDBM50102485 NC1=C(C#N)C(C2=C(CCCC2=O)N1c1cccnc1)c1cc2ccccc2n2nnnc12 |c:1,t:6|
BDBM50102489 CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
BDBM50102490 CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
BDBM50134268 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccccc1 |c:25|
BDBM50103526 NC1=C(C#N)C(C2=C(CCCC2=O)N1c1cccnc1)c1cc2cc(Cl)ccc2n2nnnc12 |c:1,t:6|
BDBM50103527 CCOC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
BDBM50103528 COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(OC)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
BDBM50103529 COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(Cl)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
BDBM50103530 COc1ccc2c(c1)cc(C1C(C#N)=C(N)N(C3=C1C(=O)CCC3)c1cccnc1)c1nnnn21 |c:18,t:14|
BDBM50103531 COC(=O)C1=C(N)N(C2=C(C1c1cc3ccccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
BDBM50103532 COC(=O)C1=C(N)N(C2=C(C1c1cc3cc(C)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:4,8|
BDBM50134267 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Br)cc1 |c:25|
BDBM50102488 CCOC(=O)C1=C(N)N(C2=C(C1c1cc3cc(Cl)ccc3n3nnnc13)C(=O)CCC2)c1cccnc1 |c:5,9|
BDBM50134257 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(F)cc1 |c:25|
BDBM50134258 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(I)cc1 |c:4|
BDBM50134260 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(C)cc1 |c:4|
BDBM50134261 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(C)cc1 |c:25|
BDBM50095952 NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
BDBM50134226 COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OC(C)Cn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:9|
BDBM50134241 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(cc1)[N+]([O-])=O |c:25|
BDBM50134252 CCOc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)C(C)=O |t:10|
BDBM50134254 CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O)c1ccc(Cl)cc1 |c:4|
BDBM50134255 CC(Cn1c(C)ncc1[N+]([O-])=O)OC(=O)c1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(Cl)cc1 |c:25|
BDBM259407 CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
BDBM50157881 Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM246607 Fc1ccc(cc1)-c1cc([nH]c(=N)c1C#N)-c1ccc(Nc2ncnc3ccccc23)cc1
BDBM246608 COc1cc2ncnc(Nc3ccc(cc3)-c3cc(-c4ccc(Br)cc4)c(C#N)c(=N)[nH]3)c2cc1OC
BDBM246609 COc1cc2ncnc(Nc3ccc(cc3)C(=O)\C=C\c3ccc(Cl)cc3)c2cc1OC
BDBM50156383 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM250082 NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
BDBM50157879 [H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
BDBM238345 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc2c(N)nccc12
BDBM50158429 Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
BDBM50157628 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50182493 CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
BDBM50187717 Cn1cc(cn1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50187718 Cn1cc(cn1)-c1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1
BDBM50187719 Cn1cc(cn1)-c1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
BDBM50174551 Oc1ccc2c(\C=C3/NC(=NC3=O)C(=O)c3c[nH]c4ccccc34)c[nH]c2c1 |c:9|
BDBM50192858 COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
BDBM50174539 O[C@H]1CC2=C([C@@H](O)[C@H]1O)C(=O)c1c(O)ccc(O)c1C2=O |c:3|
BDBM50174540 OCC1=C(CO)C(=O)c2c(O)ccc(O)c2C1=O |c:2|
BDBM50166350 CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1
BDBM50189787 C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(ccc4[nH]3)N3CCN(C)CC3)c2c1)c1c(Cl)cncc1Cl |r|
BDBM50166569 CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
BDBM50159358 Fc1ccc(Nc2ncnc3cc(OCC#C)c(NC(=O)C=C)cc23)cc1Cl
BDBM50175583 [H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
BDBM50187722 C1CC(CCN1)n1cc(cn1)-c1ccc2ncnc(Nc3ccc4ncccc4c3)c2c1
BDBM50187716 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
BDBM50187721 Fc1ccc(Nc2ncnc3ccc(cc23)-c2cnn(c2)C2CCNCC2)cc1Cl
BDBM50191479 COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCCC1
BDBM50191662 CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN1CCOCC1
BDBM50191663 COc1cc2ncnc(Nc3ccc(Cc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50190728 Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1Cl
BDBM50190729 BrCC(=O)OCCn1c2cc3c(Nc4ccc(NC(=O)NC5CCCCC5)cc4)ncnc3cc2oc1=O
BDBM50190730 Fc1cccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CCl)c5cc34)cc2Cl)c1
BDBM50190733 FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2Cl)c1
BDBM50190734 Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1F
BDBM50190732 CCOC(=O)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1
BDBM50190787 Clc1cc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)ccc1N1CCOCC1
BDBM50191483 CCC(=O)Nc1cc2c(Nc3ccc4N(Cc5ccccn5)CCc4c3)ncnc2cc1OC
BDBM50191490 CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ccc4c3)ncnc2cc1OC
BDBM50191651 CCC(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cc1OC
BDBM50190735 BrCC(=O)OCCn1c2cc3c(Nc4ccc(NC(=O)N5CCCCC5)cc4)ncnc3cc2oc1=O
BDBM50190792 CN1CCN(CC1)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CCl)c4cc23)cc1Cl
BDBM50190801 Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1F
BDBM50190803 ClCC(=O)OCCn1c2cc3c(Nc4ccc(N5CCOCC5)c(Cl)c4)ncnc3cc2oc1=O
BDBM50190802 COc1ccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2)cc1
BDBM50190725 CC(C)(C)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1
BDBM50190726 Clc1cc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)ccc1N1CCCCC1
BDBM50190727 CN1CCN(CC1)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1Cl
BDBM50205267 ONC(=O)CCCCCn1cc(nn1)-c1ccc2ncnc(Nc3ccc(OCc4nccs4)c(Cl)c3)c2c1
BDBM50208911 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
BDBM50191487 CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50191488 Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
BDBM50191491 CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
BDBM50191500 CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50191586 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1
BDBM50191592 CCOc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50191641 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
BDBM50191480 CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
BDBM50191481 O=C(Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1)\C=C\CN1CCCC1
BDBM50191501 CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)nc3)ncnc2cc1OC
BDBM164638 CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
BDBM50191502 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cn1
BDBM50191503 CN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(Cc5ccccn5)cc4)ncnc3cn2)CC1
BDBM50191584 CCC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)cc3)ncnc2cc1OC
BDBM50190806 Fc1cccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2Cl)c1
BDBM50190807 Clc1ccc(COc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CBr)c5cc34)cc2)cc1
BDBM50190731 Fc1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1Cl
BDBM50191589 CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50191587 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
BDBM50210878 [H][C@@]1(C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(=O)CO)O[C@H]1C[C@H](NC(=O)CCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c2cccc3ccccc23)[C@H](O)[C@H](C)O1 |r|
BDBM50191593 O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1
BDBM50191595 CCC(=O)Nc1cc2c(Nc3ccc4N(Cc5ccccc5)CCc4c3)ncnc2cc1OC
BDBM50191640 CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
BDBM50191475 CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50191478 CCC(=O)Nc1cc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc2cc1OC
BDBM50191482 CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccn5)ccc4c3)ncnc2cc1OC
BDBM50191656 CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCOCC1
BDBM50191658 CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cc1OC
BDBM50191659 CCC(=O)Nc1cc2c(Nc3ccc4n(ccc4c3)S(=O)(=O)c3ccccc3)ncnc2cc1OC
BDBM50191660 CN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1
BDBM50191661 COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50191672 CCC(=O)Nc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OC
BDBM50205255 [H][C@@]12CN(Cc3ccc(cc3)-c3ccc4ncnc(Nc5ccc(Oc6ccccc6)c(OC)c5)c4c3)C[C@]1([H])[C@H]2CO |r|
BDBM50205256 ONC(=O)CCCCCCn1cc(nn1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50205257 COc1cc(Nc2ncnc3ccc(cc23)-c2cn(CCCCCC(=O)NO)nn2)ccc1Oc1ccccc1
BDBM50205258 Cc1ccc(Oc2ccc(Nc3ncnc4ccc(cc34)-c3cn(CCCCCCC(=O)NO)nn3)cc2C)cn1
BDBM50210879 N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1cccc2ccccc12 |r|
BDBM50205259 Cc1ccc(Oc2ccc(Nc3ncnc4ccc(cc34)-c3cn(CCCCCC(=O)NO)nn3)cc2C)cn1
BDBM50205260 ONC(=O)CCCCCCn1cc(nn1)-c1ccc2ncnc(Nc3ccc(OCc4nccs4)c(Cl)c3)c2c1
BDBM50205261 COc1cc(Nc2ncnc3ccc(cc23)-c2cn(CCCCCCC(=O)NO)nn2)ccc1Oc1ccccc1
BDBM50205262 ONC(=O)CCCCCn1cc(nn1)-c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
BDBM50205263 ONC(=O)CCCCCn1cc(nn1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50205264 ONC(=O)CCCCCCn1cc(nn1)-c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
BDBM50205265 ONC(=O)CCCCCCn1cc(nn1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50205266 ONC(=O)CCCCCn1cc(nn1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
BDBM50205268 C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 |r,c:34|
BDBM50200534 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
BDBM50190799 FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4cc5oc(=O)n(CCOC(=O)CCl)c5cc34)cc2Cl)c1
BDBM50191498 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCOCC1
BDBM50191652 CCC(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OC
BDBM50191666 CCC(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OC
BDBM50191670 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C
BDBM50190800 ClCC(=O)OCCn1c2cc3c(Nc4ccc(N5CCCCC5)c(Cl)c4)ncnc3cc2oc1=O
BDBM50191476 Fc1cccc(COc2ccc(Nc3ncnc4cnc(NC(=O)\C=C\CN5CCCC5)cc34)cc2Cl)c1
BDBM50191486 COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50191489 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCCC1
BDBM50191495 O=C(Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1)\C=C\CN1CCCC1
BDBM50191497 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
BDBM50191499 CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
BDBM50191643 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H](C)N[C@H](C)C1 |r|
BDBM50191644 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1
BDBM50191645 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CNC[C@H]1C |r|
BDBM50191646 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCCC1
BDBM50191477 CCC(=O)Nc1cc2c(Nc3ccc4n(Cc5ccco5)ccc4c3)ncnc2cc1OC
BDBM50191654 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50191655 COCCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
BDBM50191657 CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1
BDBM50191664 Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCOCC4)cc23)cc1Cl
BDBM50191668 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C(C)C)C(C)C
BDBM50191485 CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C |r|
BDBM228107 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1
BDBM228108 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@@H]2OCCO[C@H]2C1 |r|
BDBM228109 CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228110 Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
BDBM228111 COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228112 Fc1ccc(Nc2ncnc3cc(OCC(F)(F)F)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
BDBM228113 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228114 Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)\C=C\CN5C[C@H]6OCCO[C@H]6C5)cc34)cc2Cl)c1 |r|
BDBM228115 Clc1cc(Nc2ncnc3ccc(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
BDBM228116 COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228117 CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228118 Clc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
BDBM228119 Fc1cccc(Cn2ncc3cc(Nc4ncnc5ccc(NC(=O)\C=C\CN6C[C@H]7OCCO[C@H]7C6)cc45)ccc23)c1 |r|
BDBM228120 COc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228121 CCOc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228122 COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228123 CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228124 COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228125 CCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228126 COCCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM228127 Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(NC(=O)\C=C\CN3C[C@H]4OCCO[C@H]4C3)cc12 |r|
BDBM228128 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
BDBM297478 CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(Oc2ccc(cc2)C(=O)NCC[C@]23OB(O[C@H]2C[C@@H]2C[C@H]3C2(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)cc1 |r|
BDBM297479 CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(cc1)C(=O)N(C)CC[C@]12OB(O[C@H]1C[C@H]1C[C@@H]2C1(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
BDBM297480 CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCC(CCn2ccc3cc(ccc23)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)CC1 |r|
BDBM297481 CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)CC1 |r|
BDBM297482 CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(Oc2ccc(cc2)C(=O)NCCCCCCC2(C)OB(OC2(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)cc1 |r|
BDBM297483 CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O |r|
BDBM297484 CC(C)C[C@H](NC(O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCc2ccc(cc2C1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O |r|
BDBM297485 CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(Oc2ccc(cc2)C(=O)N2CCC3(CC2)OB(OC3(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)cc1 |r|
BDBM297486 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C2(CCN(CC2)C(=O)CCn2ccc3cc(ccc23)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)O1 |r|
BDBM297487 CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(cc1)C(=O)NCCCCCCC1(C)OB(OC1(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
BDBM297488 CCNC(=O)C(=N)N(C(=N)c1cc(C(C)C)c(O)cc1O)c1ccc(cc1)C(=O)N1CCC2(CC1)OB(OC2(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
BDBM297489 CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(CCC3CCN(CC3)C(=O)c3ccc(cc3)C3(C)OB(OC3(C)C)[C@H](CC(C)C)NC(O)[C@H](Cc3ccccc3)NC(=O)c3cnccn3)ccc2c1 |r|
BDBM297490 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(CC(=O)N2CCC(CCn3ccc4cc(ccc34)N(C(O)=N)C(=N)c3cc(C(C)C)c(O)cc3O)CC2)O1 |r|
BDBM297491 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1OC(C)(C)C(C)(O1)c1ccc(cc1)C(=O)N1CCC(COc2ccc(cc2)-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)CC1 |r|
BDBM264128 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC1CO
BDBM264129 COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC |r|
BDBM264159 COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC |r|
BDBM264160 CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@@H]1COC |r|
BDBM264161 CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@H]1COC |r|
BDBM264162 COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@@H]1COC |r|
BDBM264163 COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CC[C@H]1COC |r|
BDBM264164 OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1
BDBM264165 COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1 |r|
BDBM264166 COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CC1 |r|
BDBM264167 OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM264168 COCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM264169 OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1 |r|
BDBM264170 COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1 |r|
BDBM264171 COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1COCCO1 |r|
BDBM264172 OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@H]1COCCO1 |r|
BDBM264173 COCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@@H]1COCCO1 |r|
BDBM264174 OCC1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12 |r|
BDBM264175 COC[C@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12 |r|
BDBM264176 COC[C@@H]1CCN1C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1[C@@H]2COC[C@H]12 |r|
BDBM304248 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(O)=O)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:46|
BDBM304249 COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@H]1CC(=C)CN1C2=O |r,c:50|
BDBM304250 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)NCCCO)n(C)c3)n(C)c1)N=C[C@H]1CC(=C)CN1C2=O |r,c:50|
BDBM304251 COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O |r,c:50|
BDBM304252 COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCO)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:50|
BDBM304253 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4CCc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57|
BDBM304254 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O |r,c:57|
BDBM304255 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57|
BDBM304256 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3ccc4[nH]ccc4c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47|
BDBM304257 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(CN)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58|
BDBM304258 Cn1cc(NC(=O)c2nc(NC(=O)CCCOc3cc4N=C[C@@H]5CC(=C)CN5C(=O)c4cc3O)cn2C)cc1C(=O)Nc1cnc2[nH]ccc2c1 |r,c:20|
BDBM304259 COC(=O)c1cnc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42|
BDBM304234 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57|
BDBM304235 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)n3ccc4cc(N)ccc34)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47|
BDBM304236 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)NCc3ccc(N)cc3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:45|
BDBM304237 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)NCc4ccc(N)cc4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:55|
BDBM304238 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)N3Cc4ccc(N)cc4C3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:47|
BDBM304239 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)N4Cc5ccc(N)cc5C4)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57|
BDBM304240 COc1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:40|
BDBM304241 COC(=O)c1ccc2n(ccc2c1)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCOc4cc5N=C[C@@H]6CC(=C)CN6C(=O)c5cc4OC)cn3C)cn2C)cn1C |r,c:42|
BDBM304242 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(SC)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:58|
BDBM304243 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(ccc45)S(C)(=O)=O)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:60|
BDBM304244 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5c(N)cccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57|
BDBM304245 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ncc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57|
BDBM304246 COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(n1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5ccc(N)cc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:57|
BDBM304247 COc1cc2c(cc1OCCCC(=O)Nc1nc(cs1)C(=O)Nc1cc(C(=O)Nc3cc(C(=O)n4ccc5cc(N)ccc45)n(C)c3)n(C)c1)N=C[C@@H]1CC(=C)CN1C2=O |r,c:56|
BDBM313766 Fc1ncc2NC(Cc3c4Oc4ccc3I)N(CCCC#C)c2n1
BDBM313767 COc1ccc(I)c(CC2Nc3cnc(F)nc3N2CCCC#C)c1OC
BDBM313768 COc1ccc(Br)c(SC2Nc3cnc(F)nc3N2CCCC#C)c1OC
BDBM313769 COc1ccc(Cl)c(CC2Nc3cnc(F)nc3N2CCCC#C)c1OC
BDBM313770 COc1cc(Cl)c(SC2Nc3cnc(F)nc3N2CCCC#C)c(OC)c1OC
BDBM50232325 Cc1ccccc1-c1nnc(Cc2nc3ccccc3[nH]2)o1
BDBM50232326 C(c1nc2ccccc2[nH]1)c1nnc(o1)C(c1ccccc1)c1ccccc1
BDBM50232327 COc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1
BDBM50232328 Clc1ccc(cc1)-c1nnc(Cc2nc3ccc(Cl)cc3[nH]2)o1
BDBM50232329 Clc1ccc(-c2nnc(Cc3nc4ccc(Cl)cc4[nH]3)o2)c(Cl)c1
BDBM50232341 COc1cccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c1OC
BDBM50230563 COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl
BDBM50232319 Clc1ccc2nc(Cc3nnc(o3)-c3ccccc3Cl)[nH]c2c1
BDBM50232320 Clc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1
BDBM50232321 Clc1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c(Cl)c1
BDBM50232322 C(c1nc2ccccc2[nH]1)c1nnc(Cc2ccccc2)o1
BDBM50230417 NP(=O)(Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl
BDBM50230419 NP(=O)(OCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl
BDBM50230420 NP(=O)(OCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl
BDBM50230421 NP(=O)(OCCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl
BDBM313755 Brc1ccc2Oc2c1SC1Nc2cncnc2N1CCCC#C
BDBM313756 Cc1ncc2NC(Sc3c(Br)ccc(Cl)c3Cl)N(CCCC#C)c2n1
BDBM50230422 NP(=O)(OCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1)N(CCCl)CCCl
BDBM50230561 NP(=O)(OCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl
BDBM50230564 NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl
BDBM50230565 NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl
BDBM313757 Clc1ccc(Cl)c(SC2Nc3cncnc3N2CCCC#C)c1Cl
BDBM313758 COc1ccc(Cl)c(SC2Nc3cncnc3N2CCOC(C)C)c1Cl
BDBM313759 Clc1ccc(Br)c(SC2Nc3cncnc3N2)c1Cl
BDBM313760 CC(C)NCCCN1C(Nc2cnc(F)nc12)Sc1c2Oc2ccc1Br
BDBM313761 Brc1ccc2Oc2c1CC1Nc2cncnc2N1CCCC#C
BDBM313762 Fc1ncc2NC(Cc3c4Oc4ccc3Cl)N(CCCC#C)c2n1
BDBM313763 CC(C)NCCCN1C(Cc2c3Oc3ccc2I)Nc2cnc(F)nc12
BDBM313764 CC(C)NCCCN1C(Nc2cncnc12)Sc1c2Oc2ccc1I
BDBM313765 Ic1ccc2Oc2c1SC1Nc2cncnc2N1CCCC#C
BDBM50232324 Clc1ccccc1-c1nnc(Cc2nc3ccccc3[nH]2)o1
BDBM50232344 C(c1nc2ccccc2[nH]1)c1nnc(Cc2cccc3ccccc23)o1
BDBM50232323 C(Oc1ccccc1)c1nnc(Cc2nc3ccccc3[nH]2)o1
BDBM50232330 C(c1nc2ccccc2[nH]1)c1nnc(o1)-c1ccccc1
BDBM50230562 NP(=O)(OCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1)N(CCCl)CCCl
BDBM50230566 NP(=O)(OCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl
BDBM50230567 NP(=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl
BDBM50230568 NP(=O)(OCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl
BDBM50230569 NP(=O)(OCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl
BDBM50230570 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl
BDBM50230571 NP(=O)(OCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl
BDBM50230572 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCOP(N)(=O)N(CCCl)CCCl
BDBM50238177 COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1
BDBM332536 COCCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM332537 COC[C@@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C |r|
BDBM332538 COC[C@H](C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C |r|
BDBM332539 CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM332540 CCCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM332541 CC(C)OCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM332542 CCOCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1NC(=O)\C=C\CN(C)C
BDBM332543 CCOCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM332544 CCOCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM333446 CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)CO2)CC1
BDBM332545 CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C/Cl
BDBM333447 CN1CCC2(CCC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)O2)CC1
BDBM333448 CN1C[C@H]2[C@H](CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)[C@H]2C1 |r|
BDBM333449 CN1CC2CCC(C1)C2CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C
BDBM333465 CN1CCC2(CC2CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)CC1
BDBM333466 CN1CCC2(CC(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1
BDBM333467 CN1CCC2(CC(CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)C2)CC1
BDBM351330 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC |r|
BDBM351357 COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@@H]2CCO[C@H]12 |r|
BDBM351358 CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC |r|
BDBM351463 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCCO1
BDBM351467 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCC1
BDBM50240779 OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
BDBM50240780 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
BDBM50240781 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
BDBM50240782 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
BDBM351473 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1C(=O)c2ccccc2C1=O
BDBM351476 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCCN1C(=O)OC(C)(C)C
BDBM351478 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccc(cc1)N1CCCC1
BDBM351479 CCN(CC)c1ccc(cc1)-c1csc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1
BDBM351377 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
BDBM351482 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccccn1
BDBM351483 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccncc1
BDBM351484 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N1CCOCC1
BDBM351487 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCN(C)CC2)cs1
BDBM351281 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C[C@H]2C1)C(C)C |r|
BDBM351282 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(CC(C)C)C[C@H]2C1 |r|
BDBM351283 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351284 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351391 COc1cc2c(Nc3ccc(F)c(F)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
BDBM351495 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM351496 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCNCC1
BDBM351497 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCCC1
BDBM351500 CCN1CCN(CC1)c1noc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1
BDBM351285 COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351286 COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351287 COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351288 COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351289 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351290 CCN1C[C@@H]2C[C@H](COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5F)c4cc3OC)C[C@@H]2C1 |r|
BDBM351397 COc1cc2c(Nc3ccc(Cl)cc3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
BDBM351501 COC1=CC=[N](C=C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1 |c:4,6,t:2,(-11.81,2.83,;-10.32,3.23,;-9.23,2.14,;-9.63,.65,;-8.54,-.44,;-7.05,-.04,;-6.65,1.45,;-7.74,2.54,;-5.96,-1.13,;-4.5,-.65,;-3.59,-1.9,;-2.05,-1.9,;-1.28,-.56,;.26,-.56,;1.03,-1.9,;2.57,-1.9,;3.34,-3.23,;4.88,-3.23,;5.65,-1.9,;4.88,-.56,;5.65,.77,;7.19,.77,;7.96,2.11,;9.5,2.11,;10.27,.77,;11.81,.77,;9.5,-.56,;10.27,-1.9,;7.96,-.56,;3.34,-.56,;2.57,.77,;1.03,.77,;.26,2.11,;-1.28,2.11,;-4.5,-3.14,;-5.96,-2.67,)|
BDBM351502 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(cc1)C(F)(F)F
BDBM351503 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1
BDBM351504 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1c(C)noc1C
BDBM351505 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc2ccc(Cl)cc12
BDBM351506 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)-c1ccc(cc1)C(C)(C)C
BDBM351291 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(CC(C)C)C[C@H]2C1 |r|
BDBM351292 COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
BDBM351293 COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
BDBM351294 COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
BDBM351295 COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
BDBM351296 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
BDBM351399 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
BDBM351405 COc1cc2c(Nc3ccc(cc3Br)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
BDBM351507 COc1ccccc1-c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
BDBM351508 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nnc(o1)-c1ccc(C)cc1
BDBM351509 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nccn1Cc1ccccc1
BDBM351510 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(C)onc1-c1c(Cl)cccc1Cl |(-3.85,4.85,;-2.31,4.85,;-1.54,3.52,;0,3.52,;.77,2.19,;2.31,2.19,;3.08,3.52,;4.62,3.52,;5.39,4.85,;6.93,4.85,;7.7,3.52,;9.24,3.52,;6.93,2.19,;7.7,.85,;5.39,2.19,;3.08,.85,;2.31,-.48,;.77,-.48,;0,.85,;-1.54,.85,;-2.31,2.19,;-3.85,2.19,;-4.62,.85,;-6.16,.85,;-7.06,2.1,;-6.29,3.43,;-8.53,1.62,;-8.53,.08,;-7.06,-.39,;-6.67,-1.88,;-7.75,-2.97,;-9.24,-2.57,;-7.36,-4.46,;-5.87,-4.85,;-4.78,-3.77,;-5.18,-2.28,;-4.09,-1.19,)|
BDBM351511 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(F)cc2OCCOc12
BDBM351512 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(Br)cc(Br)c1
BDBM351297 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
BDBM351298 COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
BDBM351299 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN2CCOCC2CO1
BDBM351300 COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
BDBM351301 COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
BDBM351302 COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
BDBM351303 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
BDBM351407 COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
BDBM351513 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(F)cccc1F
BDBM351514 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1=N[N](CS(=O)(=O)c2ccccn2)=CO1 |c:39,t:26|
BDBM351515 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1ccccc1
BDBM351516 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccc2nc(cc(Cl)c2c1)C(F)(F)F
BDBM351517 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CCCN1C
BDBM351518 CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
BDBM351519 CCN1CCCC(C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
BDBM351304 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
BDBM351305 COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@H]1CN2CCC[C@@H]2CO1 |r|
BDBM351306 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
BDBM351307 COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
BDBM351308 COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
BDBM351309 COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
BDBM351310 CO[C@H]1CO[C@@H]2C(COc3cc4ncnc(Nc5cc(Cl)c(Br)cc5F)c4cc3OC)CO[C@H]12 |r|
BDBM351520 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N(C)C
BDBM351521 CCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
BDBM351522 CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
BDBM351523 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)C1CCCN1
BDBM351524 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCN1
BDBM351525 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(COC(=O)c2ccccc2)n1
BDBM351526 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
BDBM351311 CO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)CO[C@H]12 |r|
BDBM351312 CO[C@H]1CO[C@@H]2C(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5F)c4cc3OC)CO[C@H]12 |r|
BDBM351313 CO[C@H]1CO[C@@H]2C(COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5F)c4cc3OC)CO[C@H]12 |r|
BDBM351314 CO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5Cl)c4cc3OC)CO[C@H]12 |r|
BDBM351315 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCCC[C@H]2C(=O)N1 |r|
BDBM351316 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2C(=O)N1 |r|
BDBM351317 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@@H]2C(=O)N1 |r|
BDBM351527 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc2CC(C)NCc2s1
BDBM351528 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CSCN1 |r|
BDBM351529 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1
BDBM351530 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1C
BDBM351531 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCNC1
BDBM351532 CCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
BDBM351533 CCN1CCCC(C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
BDBM351318 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2C(=O)N1 |r|
BDBM351319 COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCC[C@@H]2C(=O)N1C |r|
BDBM351320 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCNC1CC2CCC(C1)N2C
BDBM351321 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN2CSC[C@H]2CO1 |r|
BDBM351322 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CC2CCC(C1)N2C
BDBM351323 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CC2CCC(C1)N2C
BDBM351324 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1C[C@H]2CN(C)C[C@H]2C1 |r|
BDBM351428 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C(=O)OC(C)(C)C
BDBM351534 CCN1CCCC1c1noc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1
BDBM351535 CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
BDBM351536 CCC1Cc2nc(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)sc2CN1
BDBM351537 CCCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
BDBM351538 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC2CC2)CCCO1
BDBM351539 COCCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
BDBM351540 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCO1)C(C)C
BDBM351325 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1CC2CCC(C1)N2C
BDBM351326 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cc(Cl)c(Br)cc3F)c2cc1OC |r|
BDBM351327 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC |r|
BDBM351328 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3F)c2cc1OC |r|
BDBM351329 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3Cl)c2cc1OC |r|
BDBM351331 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3Cl)c2cc1OC |r|
BDBM351434 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCCN1C
BDBM351440 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(C)on1
BDBM351541 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N1CCNCC1
BDBM351542 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCN1
BDBM351543 CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
BDBM351544 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)[C@@H]1CCCN1C |r|
BDBM351545 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CCCN1C |r|
BDBM351546 CCN1CCN(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
BDBM351547 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCN1C
BDBM351332 COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1OCC21OCCO1 |r|
BDBM351333 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OC |r|
BDBM351335 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C[C@H]2C1)C(C)=O |r|
BDBM351443 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccc2nonc2c1
BDBM351444 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nsc(n1)-c1cccs1
BDBM351447 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1ccc(cc1)C(F)(F)F
BDBM351548 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C1CCCC1
BDBM351549 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C(C)C
BDBM351550 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCc2ccccc2)CCO1
BDBM351551 COCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
BDBM351552 CCOC(=O)C(C)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
BDBM351553 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCC=C)CCO1
BDBM351554 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCOCCO)CCO1
BDBM351338 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O |r|
BDBM351341 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1CN2CCC[C@@H]2CO1 |r|
BDBM351342 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
BDBM351343 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@H]1CN2CCC[C@H]2CO1 |r|
BDBM351344 COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
BDBM351450 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cscn1
BDBM351452 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccncc1
BDBM351555 COC(=O)CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
BDBM351556 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCCC#N)CCO1
BDBM50269615 Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
BDBM351349 CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1OC |r|
BDBM351455 COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(Cl)n(C)nc1-c1ccccc1
BDBM50244495 C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|
BDBM376973 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
BDBM376966 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1
BDBM376967 COc1c(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1Cl
BDBM376968 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1F
BDBM376969 COc1c(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1F
BDBM376970 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
BDBM376971 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C
BDBM376972 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C=C)c1
BDBM376975 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM376976 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C
BDBM376977 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F
BDBM376978 CN(C)C\C=C\C(=O)N1CCN[C@@H](C1)n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)c3ccccc23)c2c(N)ncnc12
BDBM376979 CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl
BDBM376980 CN(C(=O)Oc1ccc(NC(=O)c2nn(N3CN(CC=C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1)c1ccccc1 |c:19|
BDBM376981 Cc1cc(OC(=O)N2CCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:25|
BDBM376982 Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CC=CN(C2)C(=O)C=C)c2ncnc(N)c12 |c:26|
BDBM376983 Cc1cc(CC(=O)N2CCCC2)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM373698 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
BDBM373700 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
BDBM376907 CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Br
BDBM376908 CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C
BDBM376909 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1C
BDBM376910 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM376911 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
BDBM376984 CN[C@@H](C(=O)OC)c1ccc(NC(=O)c2nn(C3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM376985 Cc1cc(CC(=O)N2CC(O)C2)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM376986 CN(C)C(=O)Nc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM376987 Cc1cc(NC(=O)N2CCCC2)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM373704 OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1 |r|
BDBM373705 OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1 |r|
BDBM376912 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1
BDBM376913 COc1cc(CC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM376914 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl
BDBM376915 COc1cc(CC(=O)N(C)C)c(Cl)cc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM376916 CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F
BDBM376917 COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1Cl
BDBM376988 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1
BDBM376989 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CC(F)CN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C
BDBM376990 C[C@@H]1C[C@H](CN1C(=O)C=C)n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2Cl)c2c(N)ncnc12
BDBM376991 C[C@@H]1C[C@H](CN1C(=O)C=C)n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)c(C)c2C)c2c(N)ncnc12
BDBM373708 OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 |r|
BDBM373709 OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1 |r|
BDBM376918 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1F
BDBM376919 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C
BDBM376920 COc1c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc(CC(=O)N(C)C)c1F
BDBM376921 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OC(F)F)c1
BDBM376922 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(OCF)c1
BDBM376923 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Br)c1
BDBM373711 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
BDBM373712 OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1 |r|
BDBM373714 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CSSC1
BDBM376924 CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F
BDBM376925 CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl
BDBM376926 CN(C)C(=O)Cc1cc(Cl)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl
BDBM376927 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1
BDBM376928 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(c1)C1CC1
BDBM376929 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(c1)C#N
BDBM373717 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCC1CCSS1
BDBM373719 Cc1ccc(Oc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2C)cn1
BDBM373722 Fc1cccc(COc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2Cl)c1
BDBM376930 CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C#N
BDBM376931 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(F)c1
BDBM376932 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM376933 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1
BDBM376934 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1
BDBM376941 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl
BDBM373723 OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1 |r|
BDBM373725 OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 |r|
BDBM373726 COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)C1CSSC1
BDBM373727 COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)CC1CCSS1
BDBM376942 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C
BDBM376943 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(F)c1
BDBM376944 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C
BDBM376945 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ccccc12
BDBM376946 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F
BDBM376947 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(F)c1F
BDBM376948 COc1cc(OC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM376949 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2ncccc12
BDBM376950 CN(C)C(=O)Oc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C
BDBM376951 CN(C)C(=O)Cc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C
BDBM376952 COc1cc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)ccc1CC(=O)N(C)C
BDBM376953 CN(C)C(=O)Cc1ccnc2c(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)cccc12
BDBM376954 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F
BDBM376955 CN(C)C(=O)Oc1c(F)cc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1F
BDBM376956 CN(C)C(=O)Oc1cc(C)c(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM376957 CN(C)C(=O)Oc1c(Cl)cc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1Cl
BDBM376958 CN(C)C(=O)Oc1c(C)cc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)cc1C
BDBM376959 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(c1)N(C)C
BDBM376960 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C=C)c1
BDBM376961 CCc1cc(CC(=O)N(C)C)ccc1NC(=O)c1nn([C@@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12
BDBM376962 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F
BDBM376963 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(c1)-c1ccco1
BDBM376964 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(c1)-c1ccoc1
BDBM376965 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c2OCOc12
BDBM378885 Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
BDBM378887 CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
BDBM50276157 COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
BDBM50270439 Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)n1
BDBM50270425 OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1
BDBM50278391 NS(=O)(=O)c1ccc(cc1)-n1c(SCC(=O)Nc2cnc3ccccc3c2)nc2cc3ccccc3cc2c1=O
BDBM50278393 NS(=O)(=O)c1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nc2cc3ccccc3cc2c1=O
BDBM50278392 NS(=O)(=O)c1ccc(cc1)-n1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2cc3ccccc3cc2c1=O
BDBM50466660 N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|
BDBM50466664 OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r|
BDBM50466671 Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|
BDBM50465771 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1cccc2ccccc12 |r|
BDBM50462400 [H][C@@]12C[C@@H](CCC#CCNC3=C4C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC(=CC3=O)C4=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,c:10,23,34,36,t:42|
BDBM50462403 [H][C@@]12C[C@@H](CCC\C=C\CNC3=C4C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC(=CC3=O)C4=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,c:11,24,35,37,t:43|
BDBM50462407 CO[C@H]1C[C@H](C)CC2=C(NCCCCNC3=C4C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC(=CC3=O)C4=O)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,15,28,39,41,65,t:47,57,63,76|
BDBM50405914 Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(COc3cccc(c3)C(F)(F)F)cc2)c1
BDBM50405915 Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2cccc3Sc4ccccc4Sc23)c1
BDBM50405916 Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccccc2COc2cccc(c2)C(F)(F)F)c1
BDBM50405917 Fc1cccc(CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(s2)-c2cccs2)c1
BDBM50405918 COCCc1ccc(OCc2ccc(cc2)-c2cc(cc(c2)S(=O)(=O)NCCc2cccc(F)c2)C(F)(F)F)cc1
BDBM50406868 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1 |r|
BDBM50468492 CC(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1
BDBM50468493 FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NC4CC4)cc3)cc2Cl)c1
BDBM50468494 FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NCCN4CCOCC4)cc3)cc2Cl)c1
BDBM50468495 CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1
BDBM50468496 Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1
BDBM50468983 O=C(CC#N)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
BDBM50468261 CC(C)(C)c1cc(\C=C(/C#N)C(N)=S)cc(c1O)C(C)(C)C
BDBM50468412 CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)N4CCN(C)CC4)c3)ccc12
BDBM50468245 CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C
BDBM50468246 Oc1cc(ccc1C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C(F)(F)F
BDBM50468247 COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C
BDBM50468248 CC(C)(O)CC(=O)NCCc1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c2c1
BDBM50455738 Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|
BDBM50489201 CC(C)[C@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O)C(O)=O |r,t:5,10|
BDBM50489202 [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(N[C@@H](CO)C(O)=O)C1=O |r,c:18,t:4,23|
BDBM50489203 COC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O |r,t:2,7|
BDBM50489204 CC(C)[C@@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O)C(O)=O |r,t:5,10|
BDBM50489205 CC(C)[C@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O)C(O)=O |r,t:5,10,22|
BDBM50489206 C[C@@H]1CCC[C@](C)(CC\C(C)=C\CC2=C(O)C(=O)C=C(N[C@H](CO)C(O)=O)C2=O)C1=C |r,c:13,t:18|
BDBM50489207 C[C@H](O)[C@@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O)C(O)=O |r,t:5,10,22|
BDBM50489208 C[C@H](O)[C@@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O)C(O)=O |r,t:5,10|
BDBM50489209 C[C@@H]1CCC[C@](C)(CC\C(C)=C\CC2=C(O)C(=O)C=C(N[C@@H](CO)C(O)=O)C2=O)C1=C |r,c:13,t:18|
BDBM50489210 C[C@@H](O)[C@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O)C(O)=O |r,t:5,10,22|
BDBM50489211 C[C@@H]1CCC[C@](C)(CC\C(C)=C\CC2=C(O)C(=O)C=C(NCC(O)=O)C2=O)C1=C |r,c:13,t:18|
BDBM50489212 CC(C)[C@@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O)C(O)=O |r,t:5,10,22|
BDBM50489213 C[C@@H](O)[C@@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O)C(O)=O |r,t:5,10,22|
BDBM50489214 C[C@@H](O)[C@@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O)C(O)=O |r,t:5,10|
BDBM50489215 C[C@@H]1C(C)=CCC[C@]1(C)CC\C(C)=C\CC1=C(O)C(=O)C=C(NCC(O)=O)C1=O |r,c:3,16,t:21|
BDBM50489216 COC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O |r,t:2,7,19|
BDBM50489217 C[C@@H]1C(C)=CCC[C@]1(C)CC\C(C)=C\CC1=C(O)C(=O)C=C(N[C@H](CO)C(O)=O)C1=O |r,c:3,16,t:21|
BDBM50489218 C[C@H](O)[C@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O)C(O)=O |r,t:5,10,22|
BDBM50489221 C[C@@H](O)[C@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O)C(O)=O |r,t:5,10|
BDBM50489219 C[C@@H]1C(C)=CCC[C@]1(C)CC\C(C)=C\CC1=C(O)C(=O)C=C(N[C@@H](CO)C(O)=O)C1=O |r,c:3,16,t:21|
BDBM50478529 [Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8]S([#8-])(=O)=O)ccc1-[#8]
BDBM50478530 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]-[#8])=[#6]\[#6]-c1cc(-[#8])ccc1-[#8]
BDBM50478531 [Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8]S([#8-])(=O)=O)ccc1-[#8]
BDBM50478532 [Na;v0+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8]S([#8-])(=O)=O)ccc1-[#8]
BDBM50479261 [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
BDBM50479262 COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
BDBM50479263 Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
BDBM50479264 Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
BDBM50479265 COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
BDBM50479266 COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
BDBM50479267 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
BDBM50478426 NC1NC(=O)\C(N1)=C1\CCNC(=O)c2[nH]c(Br)c(Br)c12
BDBM50478427 NC1NC(=O)\C(N1)=C1\CCNC(=O)c2[nH]cc(Br)c12
BDBM50478428 Brc1cc2c([nH]1)C(=O)NCC\C2=C1\NC(=O)NC1=O
BDBM50480482 COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
BDBM50480483 COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
BDBM50480484 COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
BDBM50480485 COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
BDBM50491762 Cc1ncc(C#N)c(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1\C=C\c1ccc(CNCCS(C)(=O)=O)o1
BDBM50491763 CN(C)C\C=C\C(=O)Nc1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc(OCc3ccccn3)c(Cl)c2)c1
BDBM50491777 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C\c1ccc(CNCCS(C)(=O)=O)o1
BDBM50493759 Cc1ccc(cc1)S(O)(=O)=O.C[S+]([O-])CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50493760 Cc1ccc(cc1)S(O)(=O)=O.Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCNCC4)o3)cc2Cl)c1
BDBM50493761 Cc1ccc(cc1)S(O)(=O)=O.CCOC(=O)N1CCN(Cc2ccc(o2)-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
BDBM50493762 Cc1ccc(cc1)S(O)(=O)=O.CS(=O)(=O)N1CCN(Cc2ccc(o2)-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
BDBM50491786 CN(C)C\C=C\C(=O)Nc1cccc(\C=C\c2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1
BDBM50493763 Cc1ccc(cc1)S(O)(=O)=O.CC(=O)N1CCN(Cc2ccc(o2)-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
BDBM50493764 Cc1ccc(cc1)S(O)(=O)=O.Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CN4CCOCC4)o3)cc2Cl)c1
BDBM50493765 Cc1ccc(cc1)S(O)(=O)=O.CN1CCN(CC1)C(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50493766 Cc1ccc(cc1)S(O)(=O)=O.CS(=O)(=O)NCCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50493767 Cc1ccc(cc1)S(O)(=O)=O.CN1CCN(Cc2ccc(o2)-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
BDBM50491787 Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CNCCS(C)(=O)=O)o1
BDBM50489220 C[C@H](O)[C@H](NC1=CC(=O)C(O)=C(C\C=C(/C)CC[C@@]2(C)CCC[C@@H](C)C2=C)C1=O)C(O)=O |r,t:5,10|
BDBM50494673 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)\C=C\CN(C)C
BDBM417103 Cc1cc(OC(=O)N2CCCCC2)ccc1NC(=O)c1nn(N2CN(CC=C2)C(=O)C=C)c2ncnc(N)c12 |c:28|
BDBM417105 CON(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1
BDBM417111 C[C@H]1CN(C[C@@H]1n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)cc2Cl)c2c(N)ncnc12)C(=O)C=C
BDBM417112 C[C@H]1CN(C[C@@H]1n1nc(C(=O)Nc2ccc(CC(=O)N(C)C)c(C)c2C)c2c(N)ncnc12)C(=O)C=C
BDBM417095 CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Br)c1
BDBM417099 CN(C)C(=O)Oc1ccc(NC(=O)c2nn([C@@H]3CNCCC3C\C=C\C(=O)N(C)C)c3ncnc(N)c23)c2ccccc12
BDBM417102 Cc1cc(OC(=O)N2CCCC2)ccc1NC(=O)c1nn(N2CN(CC=C2)C(=O)C=C)c2ncnc(N)c12 |c:27|
BDBM50499634 OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
BDBM50525254 [H][C@@]12C[C@@H](C\C=C\CNC3=C4C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC(=CC3=O)C4=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,c:9,22,33,35,t:41|
BDBM50509086 Brc1c[nH]c2c1\C(CCNC2=O)=C1\NC(=N)NC1=O
BDBM50509088 OC(CNC(=O)c1cc(Br)c[nH]1)\C=C1/NC(=N)N=C1NCCS(O)(=O)=O |c:18|
BDBM50509949 COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
BDBM50507316 COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCN1CCNCCNCCNCC1
BDBM50507319 COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCN1CCNCCNCC1
BDBM50507551 CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(SCC5=O)c5c(F)cccc5F)cc4F)c3cc2OC)CC1
BDBM50511997 Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
BDBM50510133 CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
BDBM50509084 Brc1[nH]c2c(c1Br)\C(CCNC2=O)=C1\NC(=N)NC1=O
BDBM50509085 OC(CNC(=O)c1cc(Br)c(Br)[nH]1)\C=C1/NC(=N)N=C1NCCS(O)(=O)=O |c:19|
BDBM50520597 COc1cc(C)cc2cc(sc12)-c1cn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
BDBM50504104 Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(NC(=O)C=C)cc1 |(12.65,-38.72,;11.4,-37.83,;9.94,-38.31,;9.03,-37.07,;9.93,-35.82,;9.6,-34.32,;10.73,-33.29,;12.2,-33.76,;13.34,-32.72,;12.53,-35.26,;11.39,-36.29,;9.47,-39.77,;10.38,-41.01,;9.48,-42.26,;8.02,-41.79,;8.01,-40.26,;6.68,-39.48,;6.68,-37.94,;5.35,-40.26,;5.35,-41.8,;6.68,-42.56,;6.68,-44.1,;11.92,-41,;12.69,-42.33,;14.23,-42.32,;15,-40.98,;16.54,-40.97,;17.3,-39.63,;16.52,-38.3,;18.84,-39.62,;19.6,-38.28,;14.21,-39.65,;12.67,-39.66,)|
BDBM50504102 Cc1c(oc2ccc(C)cc12)-c1n(nc2c1c(N)n[nH]c2=O)-c1ccc(CNC(=O)C=C)cc1 |(28.79,-8.39,;27.54,-7.5,;26.08,-7.98,;25.16,-6.74,;26.06,-5.49,;25.74,-3.99,;26.87,-2.96,;28.34,-3.43,;29.48,-2.39,;28.66,-4.93,;27.53,-5.96,;25.61,-9.44,;26.52,-10.68,;25.62,-11.92,;24.16,-11.46,;24.15,-9.93,;22.82,-9.15,;22.82,-7.61,;21.49,-9.93,;21.49,-11.47,;22.82,-12.23,;22.82,-13.77,;28.05,-10.67,;28.83,-12,;30.37,-11.99,;31.13,-10.65,;32.67,-10.64,;33.45,-11.97,;34.99,-11.96,;35.75,-10.62,;35.77,-13.29,;37.31,-13.28,;30.35,-9.32,;28.81,-9.33,)|
BDBM50518533 Fc1ccc(Nc2ncnc3cc(OCc4cn(CCCN5CCOCC5)nn4)c(NC(=O)C=C)cc23)cc1Cl
BDBM50534724 Fc1ccc(Nc2ncnc3cc4OCCN(C(=O)\C=C\CN5CCCC5)c4cc23)cc1Cl
BDBM50534725 Fc1ccc(Nc2ncnc3cc4OCCN(C(=O)\C=C\CN5CCCCC5)c4cc23)cc1Cl
BDBM50534726 CC1CCN(C\C=C\C(=O)N2CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc23)CC1
BDBM50534733 CC1CCCCN1C\C=C\C(=O)N1CCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc12
BDBM50534734 Fc1ccc(Nc2ncnc3cc4OCCN(C(=O)\C=C\CN5CCOCC5)c4cc23)cc1Cl
BDBM50508279 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(F)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50508283 CCOCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(CC)CC
BDBM50535309 O=C(CSC(=S)N1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1
BDBM50518525 Fc1cccc(Cn2cc(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)nn2)c1
BDBM50518529 Fc1ccc(Nc2ncnc3cc(OCc4cn(Cc5ccccc5F)nn4)c(NC(=O)C=C)cc23)cc1Cl
BDBM50518530 Fc1ccc(Cn2cc(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)nn2)cc1
BDBM50534722 CN1CCN(C\C=C\C(=O)N2CCOc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc23)CC1
BDBM50535314 O=C(NC1CCCCC1)Nc1cccc(NC(=O)c2ccccn2)c1
BDBM50535325 O=C(CCSC(=S)N1CCN(CC1)c1ccccc1)Nc1cccc(NC(=O)c2ccccn2)c1
BDBM50525707 Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C
BDBM50528842 Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCCCC1 |c:10|
BDBM50528843 Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCOCC1 |c:10|
BDBM50528844 Fc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:15|
BDBM50518523 Fc1ccc(Nc2ncnc3cc(OCc4cn(Cc5ccccc5)nn4)c(NC(=O)C=C)cc23)cc1Cl
BDBM50518524 Cc1ccc(Cn2cc(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)nn2)cc1
BDBM50518526 COc1ccc(Cn2cc(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)nn2)cc1
BDBM50518527 Fc1ccc(Nc2ncnc3cc(OCc4cn(CCc5ccccc5)nn4)c(NC(=O)C=C)cc23)cc1Cl
BDBM50518528 OCCCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1
BDBM50518531 Fc1ccc(Nc2ncnc3cc(OCc4cn(nn4)-c4ccccc4)c(NC(=O)C=C)cc23)cc1Cl
BDBM50518532 Fc1ccc(Nc2ncnc3cc(OCc4cn(Cc5ccc(Cl)cc5)nn4)c(NC(=O)C=C)cc23)cc1Cl
BDBM450875 Nc1ncnc2[nH]c(Sc3cc(Cl)c(Cl)cc3Cl)nc12
BDBM50520589 COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50519662 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM50536675 FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
BDBM50536678 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
BDBM50536679 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
BDBM50536681 Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
BDBM50536790 Cc1ccc(cc1)-c1nn(cc1C(=O)NOCc1ccccc1F)-c1ccccc1
BDBM471590 Cc1cc(Nc2ncnc3cccc(O[C@@H]4C[C@@H]5CC[C@H](C4)N5CC(F)F)c23)ccc1Oc1ccn2ncnc2c1 |r,TLB:14:15:18.19:22|
BDBM471591 COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F
BDBM471592 COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC[C@H]1CC(F)(F)CCN1C |r|
BDBM471593 COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F
BDBM471594 COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 |r|
BDBM471595 CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c23)C(F)(F)C1
BDBM471596 COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2c1
BDBM471597 CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccc6ccnn6c5)c(C)c4)c23)C(F)(F)C1
BDBM471598 CN1CCC(Oc2cc(N)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
BDBM471599 CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c23)C(F)C1
BDBM474105 CC#CC(=O)NCCCC(=O)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
BDBM471600 CCN1CC[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
BDBM471601 Cc1cc(Nc2ncnc3cccc(OC45CCN(CC4)CC5)c23)ccc1Oc1ccn2ccnc2c1
BDBM471602 COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1
BDBM471603 Cc1cc(Nc2ncnc3cccc(O[C@H]4CCN[C@@H](C4)C(F)F)c23)ccc1Oc1ccn2ccnc2c1
BDBM471604 COc1cc(O[C@H]2CCNCC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1 |r|
BDBM471605 CN1CC[C@H](Oc2cc(F)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
BDBM471606 CN1CCC(Oc2cc(OC3CCOC3)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
BDBM471607 C[C@H]1C[C@H](Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)CN1C
BDBM471608 CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12 |r,TLB:9:7:3.4:1|
BDBM471609 CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c23)C(F)(F)CC1
BDBM471610 COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)ncnc2c1
BDBM471611 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F
BDBM471613 CN1CC[C@@H](C[C@@H]1C(F)(F)F)Oc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12
BDBM471614 COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1(F)F
BDBM471615 COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1
BDBM471616 COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1
BDBM471617 Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1 |t:14|
BDBM471589 CN1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1
BDBM50537742 C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
BDBM50539773 COc1cc2cccc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
BDBM50545277 CN1CCN(C\C=C\C(=O)N2CCOc3cc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4cc23)CC1
BDBM50545278 Fc1cccc(COc2ccc(Nc3ncnc4cc5OCCN(C(=O)\C=C\CN6CCOCC6)c5cc34)cc2Cl)c1
BDBM50545281 Fc1cccc(COc2ccc(Nc3ncnc4cc5OCCN(C(=O)\C=C\CN6CCCC6)c5cc34)cc2Cl)c1
BDBM50545284 CCN(CC)C\C=C\C(=O)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc12
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM494923 Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOc2ccc(cc2)-c2cc3c(NCc4ccccc4Cl)ncnc3[nH]2)C(C)(C)C)cc1 |r|
BDBM494924 Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOc2ccc(cc2)-c2cc3c(NCc4ccccc4Cl)ncnc3[nH]2)C(C)(C)C)cc1 |r|
BDBM494928 COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(COCCOCCOCCOc4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)nc3cn2)n1
BDBM494929 COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(COCCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)nc3cn2)n1
BDBM494931 COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(COCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](O)C[C@@H]4C(=O)N[C@@H](C)c4ccc(cc4)-c4scnc4C)C(C)(C)C)nc3cn2)n1 |r|
BDBM494867 Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r|
BDBM494868 Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r|
BDBM494869 Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r|
BDBM494870 Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r|
BDBM494871 Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r|
BDBM494872 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
BDBM494873 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
BDBM494874 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
BDBM494875 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1
BDBM494876 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(OCCOCCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
BDBM494877 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
BDBM494879 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(OCCOCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
BDBM494922 Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(OCCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
BDBM515328 COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
BDBM50547264 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(NC(=O)C(N4Cc5ccccc5C4=O)c4ccccc4)cc3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547265 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OC(=O)C(N4Cc5ccccc5C4=O)c4ccccc4)cc3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547266 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(O)cc3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547267 Fc1cccc(COc2ccc(Nc3ncnc4[nH]cc(-c5cccc(NC(=O)C=C)c5)c34)cc2Cl)c1
BDBM50547268 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c12
BDBM50547269 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM50547270 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)c12
BDBM50547271 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(Cc4ccccc4)cc3)c12
BDBM50547272 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12
BDBM50547273 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(OCN4C(=O)c5ccccc5C4=O)cc3)c12
BDBM50547274 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(OC(c4ccccc4)c4ccccc4)cc3)c12
BDBM50547275 COCC(C)Oc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50547276 OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50547277 OCCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50547278 OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)c12
BDBM50547279 OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c12
BDBM50547280 CN(C)CCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c12
BDBM50548085 Cc1nn(-c2ccc(F)cc2)c2ncnc(Nc3ccc(F)c(Cl)c3)c12
BDBM50547247 Clc1cc(Nc2ncnc3[nH]cc(-c4cccc(NC(=O)C=C)c4)c23)ccc1OCc1ccccn1
BDBM50547248 C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c12
BDBM50547249 CN(C)CCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
BDBM50547250 OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
BDBM50547251 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncn(C)c(=O)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547252 CCn1cnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c2c1=O)-c1ccc(cc1)N1CCN(C)CC1
BDBM50547253 CC(C)n1cnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c2c1=O)-c1ccc(cc1)N1CCN(C)CC1
BDBM50547254 CC(C)Cn1cnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c2c1=O)-c1ccc(cc1)N1CCN(C)CC1
BDBM50547255 COc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM50547256 CCOc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM50547257 CC(C)Oc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM50547258 CC(C)COc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM50547259 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547260 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547261 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547262 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OCN4C(=O)c5ccccc5C4=O)cc3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50547263 CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OC(c4ccccc4)c4ccccc4)cc3)c2c1-c1cccc(NC(=O)C=C)c1
BDBM50555575 COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1
BDBM50563091 Cc1nn(-c2ccccc2)c2nc([nH]c(=O)c12)C(=O)N1NC(=O)\C(=C\c2ccc(Cl)cc2)N=C1c1ccc(C)cc1 |c:36|
BDBM50563092 Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccccc4)N=C3c3ccccc3)[nH]c(=O)c12 |c:30|
BDBM50563093 Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccc(Cl)cc4)N=C3c3ccc(C)cc3)[nH]c(=O)c12 |c:31|
BDBM50563094 COc1ccc(\C=C2\N=C(N(NC2=O)C(=O)Cc2nc3n(nc(C)c3c(=O)[nH]2)-c2ccccc2)c2ccc(Cl)cc2)cc1 |c:8|
BDBM50559343 OCCNCC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50559344 CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
BDBM50559345 OCCNCc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cccc(F)c4)c(Cl)c3)c2c1
BDBM50562883 ONC(=O)CCn1cc(COc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2NC(=O)C=C)nn1
BDBM50558812 Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
BDBM50559342 CN1CCN(CCCOc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC1
BDBM50562884 ONC(=O)CCCn1cc(COc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2NC(=O)C=C)nn1
BDBM50562885 ONC(=O)CCCCn1cc(COc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2NC(=O)C=C)nn1
BDBM50562886 ONC(=O)CCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1
BDBM50562887 ONC(=O)CCCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1
BDBM50562888 ONC(=O)CCCCn1cc(COc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)C=C)nn1
BDBM50562889 ONC(=O)CCn1cc(COc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)C=C)nn1
BDBM50559908 CCc1ccnc(NC(=O)c2ccc(Oc3ccnc4ccc(NC(=O)C=C)cc34)cc2)c1
BDBM50559346 CN1CCN(CC(=O)Nc2ccc3ncnc(Nc4ccc(Oc5cccc(C)c5)c(Cl)c4)c3c2)CC1
BDBM50562890 ONC(=O)CCCn1cc(COc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)C=C)nn1
BDBM50562891 ONC(=O)CCCCn1cc(COc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)C=C)nn1
BDBM50562892 CN(C)C\C=C\C(=O)Nc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@@H]1CCOC1 |r|
BDBM50559919 CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1
BDBM50559921 COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1
BDBM50569047 [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(=O)[C@]([H])([C@@H](C)CC)N3CCC[C@@]3([H])C(=O)N3CCC[C@@]3([H])C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(=O)N1)c1cccc3ccccc13)c1cccc3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)NC(=O)[C@H](CC(O)=O)NC2=O |r|
BDBM50573222 CC(C)Oc1cc(F)ccc1Nc1ncnc2ccc(nc12)-c1ccc(cc1)C(=O)N1CCNCC1
BDBM50577040 CC(C)n1cc(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]c3ncnc(N)c23)c(=O)c(c1)-c1ccc(F)cc1
BDBM50578022 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
BDBM581370 CCOC(=O)C1=C(NC2=C(C1c1ccc(cc1)S(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C2)C(F)(F)F |c:8,t:5|
BDBM581371 Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1C(C(=O)c2ccccc2)=C(N)NC2=C1C(=O)CC(C)(C)C2 |c:32,t:28|
BDBM589106 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccc4Cl)cc3)c21
BDBM589107 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccc4C)cc3)c21
BDBM589108 COc1ccccc1COc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN(C)C)cc1
BDBM589109 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(Cl)c4)cc3)c21
BDBM589110 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(C)c4)cc3)c21
BDBM589145 CC1(O)CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1
BDBM589146 OCC1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1
BDBM589147 FC1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1
BDBM589148 COCCN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM589149 CN(CCCO)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM589150 C[C@H]1CN(C)CCN1C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21 |r|
BDBM50587894 Cc1nn(-c2ccc(F)cc2)c2c(Nc3ccc(F)c(Cl)c3)ncnc12
BDBM589112 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(c4)C#N)cc3)c21
BDBM589113 COc1cccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)\C=C\CN(C)C)cc2)c1
BDBM589114 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccc(Cl)cc4)cc3)c21
BDBM589116 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccc(C)cc4)cc3)c21
BDBM589117 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cc(F)ccc4F)cc3)c21
BDBM589151 CN(CCO)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM589152 C[C@@H]1CN(C)CCN1C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21 |r|
BDBM589153 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c21
BDBM589154 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c21
BDBM589155 CN1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4)c32)CC1
BDBM589156 CC(C)N(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c21
BDBM589023 FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589024 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)cc3)c21
BDBM589025 Fc1cccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2Cl)c1
BDBM589026 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)ccc1OCc1ccccn1
BDBM589118 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cc(F)ccc4Cl)cc3)c21
BDBM589119 O=C(\C=C\CN1CCCC1)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)cc3)c21
BDBM589121 CCN(CC)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)cc3)c21
BDBM589122 O=C(\C=C\CN1CCCCC1)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)cc3)c21
BDBM589123 O=C(\C=C\CN1CCOCC1)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)cc3)c21
BDBM589124 CN1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(Oc5ccccc5)cc4)c32)CC1
BDBM589157 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN2CCCCC2)ccc1Oc1ccn2ncnc2c1
BDBM589158 CN(C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c21)C1CCC1
BDBM589159 COCCN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c21
BDBM589160 CCN(CC)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c21
BDBM589161 CN1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c32)CC1
BDBM589162 CC(C)N(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c21
BDBM589027 Cc1cccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589028 Clc1cccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589029 Fc1cccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589030 Fc1ccccc1Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)cc1
BDBM589031 Fc1ccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)cc1
BDBM589032 Clc1ccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)cc1
BDBM589125 Fc1cccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)\C=C\CN3CCOCC3)cc2Cl)c1
BDBM589126 Fc1cc(Oc2ccccc2)ccc1Nc1ncnc2ccc3N(CCOc3c12)C(=O)\C=C\CN1CCCCC1
BDBM589127 Fc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN2CCCCC2)ccc1Oc1ccccc1
BDBM589128 COCCCCNC\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4F)cc3)c21
BDBM589129 CN(C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21)C1CC1
BDBM589163 Cc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN2CCCCC2)ccc1Oc1ccn2ncnc2c1
BDBM589164 CN(C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c21)C1CCC1
BDBM589165 COCCN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c21
BDBM589166 CCN(CC)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c21
BDBM589033 COc1ccccc1Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)cc1
BDBM589034 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccn4)cc3)c21
BDBM589035 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cccnc4)cc3)c21
BDBM589036 COc1cccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589037 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4nccs4)cc3)c21
BDBM589038 Fc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)ccc1Oc1ccccc1
BDBM589130 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CNC2CC2)ccc1OCc1ccccn1
BDBM589131 CC(C)NC\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM589132 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN2CCOCC2)ccc1OCc1ccccn1
BDBM589133 CN1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1
BDBM589134 CCN(CC)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM582516 CN(C)C\C=C\C(=O)Nc1cc2cnc(NC3=CCC(F)(Cl)C=C3)nc2cc1C#CC1CCOC1 |c:22,t:16|
BDBM582537 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#C[C@@H]1CCCO1 |r|
BDBM582539 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#C[C@H]1CCCO1 |r|
BDBM582540 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#C[C@@H]1[C@H]2COC[C@@H]12 |r|
BDBM582541 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC12CC1COC2
BDBM582542 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#C[C@@]12C[C@@H]1COC2 |r|
BDBM589039 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)ccc1Oc1ccccc1
BDBM589040 Fc1ccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)cc1
BDBM589041 Fc1cccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589042 FC(F)(F)c1cccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589043 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)cc3)c21
BDBM589044 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccs4)cc3)c21
BDBM582543 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#C[C@]12C[C@H]1COC2 |r|
BDBM589045 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4nccs4)cc3)c21
BDBM589046 C=CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(SCc4ccccc4)cc3)c21
BDBM589047 Fc1cccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2C(F)(F)F)c1
BDBM589048 COc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)ccc1OCc1cccc(F)c1
BDBM589049 Fc1cccc(COc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2F)c1
BDBM589050 Fc1ccc(Sc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)cc1
BDBM589051 Fc1cc(Oc2ccccc2)ccc1Nc1ncnc2ccc3N(CCOc3c12)C(=O)C=C
BDBM589052 CN(C)CCOc1ccccc1Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)cc1
BDBM589053 CN(C)CCCOc1ccccc1Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)cc1
BDBM589054 COCCOc1ccccc1Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)cc1
BDBM589055 C=CC(=O)N1CCOc2c1ccc1ncnc(Oc3ccc(Oc4ccccc4)cc3)c21
BDBM589056 Clc1cc(Oc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)ccc1OCc1ccccn1
BDBM589057 Fc1cccc(COc2ccc(Oc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2Cl)c1
BDBM589058 Clc1ccc(Oc2ccc(Oc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)cc1
BDBM589060 Fc1ccc(Oc2ccc(Oc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)cc1
BDBM589061 Clc1ccc(Cl)c(Oc2ccc(Oc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589062 C=CC(=O)N1CCOc2c1ccc1ncnc(Oc3ccc(OCc4ccccn4)cc3)c21
BDBM589063 Fc1ccccc1COc1ccc(Oc2ncnc3ccc4N(CCOc4c23)C(=O)C=C)cc1
BDBM589064 Fc1cccc(COc2ccc(Oc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)c1
BDBM589065 Fc1ccc(COc2ccc(Oc3ncnc4ccc5N(CCOc5c34)C(=O)C=C)cc2)cc1
BDBM589066 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)cc3)c21
BDBM589067 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)cc3)c21
BDBM589068 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c21
BDBM589069 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM589070 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cccc(C)c4)cc3)c21
BDBM589071 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cccc(Cl)c4)cc3)c21
BDBM589072 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cccc(F)c4)cc3)c21
BDBM589073 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4F)cc3)c21
BDBM589074 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccc(F)cc4)cc3)c21
BDBM589075 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccc(Cl)cc4)cc3)c21
BDBM589076 COc1ccccc1Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN(C)C)cc1
BDBM589078 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccn4)cc3)c21
BDBM589079 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cccnc4)cc3)c21
BDBM589080 COc1cccc(Oc2ccc(Nc3ncnc4ccc5N(CCOc5c34)C(=O)\C=C\CN(C)C)cc2)c1
BDBM589081 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4nccs4)cc3)c21
BDBM589082 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)c(F)c3)c21
BDBM589083 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4ccccc4)c(Cl)c3)c21
BDBM589084 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccc(F)cc4)cc3)c21
BDBM589085 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c21
BDBM589086 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c21
BDBM589087 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)cc3)c21
BDBM589088 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccs4)cc3)c21
BDBM589089 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4nccs4)cc3)c21
BDBM589090 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(SCc4ccccc4)cc3)c21
BDBM589091 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(F)c4)c(c3)C(F)(F)F)c21
BDBM589092 COc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN(C)C)ccc1OCc1cccc(F)c1
BDBM589135 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN2CCCC2)ccc1OCc1ccccn1
BDBM589093 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccc(F)c4)c(F)c3)c21
BDBM589094 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Sc4ccc(F)cc4)cc3)c21
BDBM589096 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cc(C)ccc4F)cc3)c21
BDBM589097 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cc(Cl)ccc4F)cc3)c21
BDBM589098 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(Oc4cc(F)ccc4F)cc3)c21
BDBM589136 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN2CCCCC2)ccc1OCc1ccccn1
BDBM589137 CC(=O)N1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1
BDBM589138 Clc1cc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CNC2CCC2)ccc1OCc1ccccn1
BDBM589099 CC(Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN(C)C)cc1)c1cccc(F)c1
BDBM589100 CC(Oc1ccc(Nc2ncnc3ccc4N(CCOc4c23)C(=O)\C=C\CN(C)C)cc1)c1ccccn1
BDBM589101 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4cccnc4)cc3)c21
BDBM589102 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccncc4)cc3)c21
BDBM589103 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccc4)cc3)c21
BDBM589105 CN(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccc4F)cc3)c21
BDBM589139 CN(C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21)C1CCC1
BDBM589140 CC(C)N(C)C\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM589141 CN1CCC[C@H]1\C=C\C(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21 |r|
BDBM589142 CC#CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21
BDBM589143 CCOP(=O)(CC(=O)N1CCOc2c1ccc1ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21)OCC
BDBM589144 OC1CCN(C\C=C\C(=O)N2CCOc3c2ccc2ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1
BDBM50585195 NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
BDBM50588671 NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(O)=O |r|
BDBM50588672 NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(O)=O |r|
BDBM50589206 CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|
BDBM50588673 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
BDBM50588674 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CSSCCOC(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
BDBM50589186 CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
BDBM50589191 CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
BDBM50588666 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
BDBM50588667 CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
BDBM50588668 NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(O)=O |r|
BDBM50588675 CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CSSCCOC(=O)O[C@]1(CC)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O)C(=O)NCC(=O)N[C@@H](CSSCCOC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C1C(Nc3cc4ccccc4nc13)C2=O)C(=O)NC(=O)C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r,c:160,163|
BDBM50588981 NS(=O)(=O)c1ccc(CCn2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
BDBM50588669 NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C=O |r|
BDBM50588670 NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(O)=O |r|
BDBM50590835 CC(=O)NNC(=O)c1csc2ncc(-c3ccc(Br)cc3)n12
BDBM50590837 COc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
BDBM50590836 Cc1ccc(cc1)-c1c(CN2CCOCC2)nc2scc(C(=O)NN)n12
BDBM50590838 NNC(=O)c1csc2nc(CN3CCOCC3)c(-c3ccc(Br)cc3)n12
BDBM50590833 Cc1ccc(cc1)-c1c(CN2CCCCC2)nc2scc(C(O)=O)n12
BDBM50590834 CCC(=O)NNC(=O)c1csc2ncc(-c3ccc(C)cc3)n12
BDBM50593027 CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1
BDBM50594745 CC#CC(=O)N1CCC[C@H]1n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)ncnc12 |r|
BDBM50594746 NC(=O)C1C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1c1ccc(Oc2ccccc2)cc1 |r,c:22|
BDBM50593736 Fc1ccc(NCc2coc(\C=C\c3ccc(cc3)C(F)(F)F)n2)cc1
BDBM50593737 FC(F)(F)c1ccc(\C=C\c2nc(CNc3ccccc3Cl)co2)cc1
BDBM50593738 FC(F)(F)c1ccc(\C=C\c2nc(CNc3cccc(Cl)c3)co2)cc1
BDBM50593739 FC(F)(F)c1ccc(\C=C\c2nc(CNc3ccc(Cl)cc3)co2)cc1
BDBM50593740 FC(F)(F)c1ccc(\C=C\c2nc(CNc3ccccc3Br)co2)cc1
BDBM50593742 FC(F)(F)c1ccc(\C=C\c2nc(CNc3ccc(Br)cc3)co2)cc1
BDBM50593733 FC(F)(F)c1ccc(\C=C\c2nc(CNc3ccccc3)co2)cc1
BDBM50593734 Fc1ccccc1NCc1coc(\C=C\c2ccc(cc2)C(F)(F)F)n1
BDBM50593735 Fc1cccc(NCc2coc(\C=C\c3ccc(cc3)C(F)(F)F)n2)c1
BDBM50593743 Cc1ccccc1NCc1coc(\C=C\c2ccc(cc2)C(F)(F)F)n1
BDBM50593744 Cc1cccc(NCc2coc(\C=C\c3ccc(cc3)C(F)(F)F)n2)c1
BDBM50593745 Cc1ccc(NCc2coc(\C=C\c3ccc(cc3)C(F)(F)F)n2)cc1
BDBM50593746 COc1ccccc1NCc1coc(\C=C\c2ccc(cc2)C(F)(F)F)n1
BDBM50593747 COc1cccc(NCc2coc(\C=C\c3ccc(cc3)C(F)(F)F)n2)c1
BDBM50593748 COc1ccc(NCc2coc(\C=C\c3ccc(cc3)C(F)(F)F)n2)cc1
BDBM50593749 FC(F)(F)c1ccc(\C=C\c2nc(Cn3ccc4cc(ccc34)-c3ccccc3)co2)cc1
BDBM50593761 Cc1ccc(cc1)-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593762 COc1ccccc1-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593763 COc1cccc(c1)-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593764 COc1ccc(cc1)-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593750 Fc1ccccc1-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593751 Fc1cccc(c1)-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593752 Fc1ccc(cc1)-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593755 FC(F)(F)c1ccc(\C=C\c2nc(Cn3ccc4cc(ccc34)-c3ccc(Cl)cc3)co2)cc1
BDBM50593753 FC(F)(F)c1ccc(\C=C\c2nc(Cn3ccc4cc(ccc34)-c3ccccc3Cl)co2)cc1
BDBM50593754 FC(F)(F)c1ccc(\C=C\c2nc(Cn3ccc4cc(ccc34)-c3cccc(Cl)c3)co2)cc1
BDBM50593765 FC(F)(F)c1ccc(\C=C\c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1
BDBM50593741 FC(F)(F)c1ccc(\C=C\c2nc(CNc3cccc(Br)c3)co2)cc1
BDBM50593756 FC(F)(F)c1ccc(\C=C\c2nc(Cn3ccc4cc(ccc34)-c3ccccc3Br)co2)cc1
BDBM50593757 FC(F)(F)c1ccc(\C=C\c2nc(Cn3ccc4cc(ccc34)-c3cccc(Br)c3)co2)cc1
BDBM50593758 FC(F)(F)c1ccc(\C=C\c2nc(Cn3ccc4cc(ccc34)-c3ccc(Br)cc3)co2)cc1
BDBM50593759 Cc1ccccc1-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50593760 Cc1cccc(c1)-c1ccc2n(Cc3coc(\C=C\c4ccc(cc4)C(F)(F)F)n3)ccc2c1
BDBM50596438 CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
BDBM50595925 CCN(CC)CC1CCN(CC1)c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1
BDBM50604499 CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1
BDBM50604500 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1
BDBM50604104 Brc1c[nH]c2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc12
BDBM50604105 ClCCC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1
BDBM50604482 CN1CCC[C@@H]1\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccn5ccnc5c4)c(C)c3)ncnc2cc1O |r|
BDBM50604483 CN1CCC[C@@H]1\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2cc1O |r|
BDBM50604484 CN1CCC[C@@H]1\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccc5nccn5c4)c(C)c3)ncnc2cc1O |r|
BDBM50604485 CN1CCC[C@@H]1\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4cnc5ccnn5c4)c(C)c3)ncnc2cc1O |r|
BDBM50604486 CN1CCC[C@@H]1\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4cc5nccn5cn4)c(C)c3)ncnc2cc1O |r|
BDBM50604487 CN1CCC[C@@H]1\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4ccn5cnnc5c4)c(C)c3)ncnc2cc1O |r|
BDBM50604488 CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\F)=C/[C@H]1CCCN1C |r|
BDBM50604489 CN1CCC[C@@H]1\C=C\C(=O)Nc1cc2c(Nc3ccc(Oc4cnn5cnnc5c4)c(C)c3)ncnc2cc1O |r|
BDBM50604490 CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\F)=C\[C@@H]1CCCN1C |r|
BDBM50604491 CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\F)=C/[C@@H]1CCCN1C |r|
BDBM50604492 CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(F)=C
BDBM50604493 CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C(\F)=C\[C@H]1CCCN1C |r|
BDBM50604494 CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r|
BDBM50604495 CCOc1cc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2cc1NC(=O)C=C
BDBM50604496 CN1CCC[C@@H]1\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1 |r|
BDBM50604497 CN1CCC[C@@H]1\C=C\C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1 |r|
BDBM50604498 CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1
BDBM50605384 Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br |r|
BDBM50606784 O=C(CNc1n[nH]c2ncccc12)Nc1sc2CCCCc2c1C#N
BDBM50606474 Nc1ccccc1NC(=O)\C=C\c1ccn(c1)S(=O)(=O)c1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
BDBM50606475 ONC(=O)\C=C\c1ccn(c1)S(=O)(=O)c1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
BDBM603894 CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
BDBM603898 CCc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(C)NC(=O)c1cccc(c1)C(F)(F)F
BDBM603901 FC(F)(F)c1cccc(NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)c1
BDBM603902 CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
BDBM603904 CCC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM612244 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC(C1)N(C)C
BDBM612245 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC[C@H](C1)N(C)C |r|
BDBM612247 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC[C@@H](C1)N(C)C |r|
BDBM612248 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CCOCC1
BDBM612249 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1OC1CCN(C)CC1
BDBM612250 CCOc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC(C1)N(C)C
BDBM612251 CN(C)C1CN(C1)c1c(OCCF)ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c12
BDBM612252 CN1CC[C@@H](Oc2c(OC(F)F)ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C(F)(F)C1 |r|
BDBM612253 CN1CC[C@H](Oc2c(OC(F)F)ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C(F)(F)C1 |r|
BDBM612254 CN1CC[C@@H](Oc2c(O[C@H]3CCOC3)ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C(F)(F)C1 |r|
BDBM612255 CN1CC[C@H](Oc2c(O[C@H]3CCOC3)ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C(F)(F)C1 |r|
BDBM612256 CC(C)Oc1ccc2ncnc(Nc3ccc(Cc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|
BDBM612257 CC(C)Oc1ccc2ncnc(Nc3ccc(Cc4cc5ncnn5cn4)c(C)c3)c2c1O[C@H]1CCN(C)CC1(F)F |r|
BDBM612258 COc1ccc2ncnc(Nc3ccc(Cc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|
BDBM612259 COc1ccc2ncnc(Nc3ccc(Cc4cc5ncnn5cn4)c(C)c3)c2c1O[C@H]1CCN(C)CC1(F)F |r|
BDBM612260 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(Cl)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|
BDBM612261 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(Cl)c3)c2c1O[C@H]1CCN(C)CC1(F)F |r|
BDBM612262 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1OC1CCN(C)CC1(F)F
BDBM612263 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@H]1CCN(C)CC1(F)F |r|
BDBM612265 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)CN(C)CCO2
BDBM612266 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1C[C@H](F)[C@@H](C1)N(C)C |r|
BDBM612267 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1C[C@@H](F)[C@@H](C1)N(C)C |r|
BDBM612268 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)COCCN2C
BDBM612269 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2OCCN(C)C2C1
BDBM612270 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)C[C@H](F)CN2C |r|
BDBM612271 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)C[C@@H](F)CN2C |r|
BDBM612272 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1C[C@H]2[C@@H]1CCN2C |r|
BDBM612273 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1C[C@@H]2[C@H]1CCN2C |r|
BDBM612274 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)C[C@H](F)CCN2C |r|
BDBM612275 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2(C1)C[C@@H](F)CCN2C |r|
BDBM612276 COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)ncnc2c1 |r|
BDBM612277 COc1cc(O[C@@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)ncnc2c1 |r|
BDBM612278 CN(C)C1CN(C1)c1c(NC2=NC(C)(C)CO2)ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c12 |t:11|
BDBM612279 CN1CCOC2(CN(C2)c2cccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C1
BDBM612280 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2C1CCN2C1CC1
BDBM612281 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1N1CC2C1CCN2CC(F)F
BDBM612282 CN1CC[C@@H](Oc2c(OC(F)(F)F)ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C(F)(F)C1 |r|
BDBM612283 CN1CC[C@H](Oc2c(OC(F)(F)F)ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C(F)(F)C1 |r|
BDBM612284 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CN(C)CC1(F)F |r|
BDBM612285 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@H]1CN(C)CC1(F)F |r|
BDBM612286 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1OC1CCNCC1(F)F
BDBM612288 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(CC1(F)F)C(C)C |r|
BDBM612289 COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(CC1(F)F)C1CC1 |r|
BDBM612292 CN(C)C1CN(C1)c1c(ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c12)C1=CCN(CC1)C(=O)OC(C)(C)C |t:41|
BDBM612293 CN1CC[C@@H](Oc2c(ccc3ncnc(Nc4ccc(Oc5cc6ncnn6cn5)c(C)c4)c23)C2=CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)C1 |r,t:39|
BDBM612294 CN(C)C1CN(C1)c1c(ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c12)C1=CCCN(C1)C(=O)C=C |t:41|
BDBM612295 CN(C)C1CN(C1)c1cc(cc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c12)C1=CCCN(C1)C(=O)C=C |t:41|
BDBM612296 COc1ccc2ncc(C#N)c(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|
BDBM612297 CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|
BDBM612298 CN1CCC[C@@H]1\C=C\C(=O)Nc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(C)c3)c2c1O[C@@H]1CCN(C)CC1(F)F |r|
BDBM612299 COc1cc2ncnc(O)c2c(O[C@@H]2CCN(C)CC2(F)F)c1OC |r|
BDBM637663 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:44.16.14.15:12|
BDBM633972 C[C@@H](\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21)N(C)C |r,TLB:4:6:10:42.14.12.13|
BDBM633973 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(F)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:12:44.16.14.15|
BDBM633974 CNC\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:5:7:11:43.15.13.14|
BDBM633975 C[C@H](\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21)N(C)C |r,TLB:4:6:10:42.14.12.13|
BDBM633976 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5cncc(F)c5)c(C)c4)c3nc21 |r,TLB:6:8:12:41.16.14.15|
BDBM633977 CN(C)C\C=C\C(=O)N1CCN2CC1CCOc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21
BDBM633978 CN1CC(F)(C1)\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:8:10:14:45.18.16.17|
BDBM633979 CN(C)C\C=C\C(=O)N1CCCN2CC1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21
BDBM633980 CN(C)C\C=C\C(=O)N1CCCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r|
BDBM633981 CN(C)C\C=C\C(=O)N1CCCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r|
BDBM633982 CN(C)C\C=C\C(=O)N1CCN2CC(COc3cc4ncnc(Nc5ccc(Oc6ccn7ncnc7c6)c(C)c5)c4nc23)C1
BDBM637994 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@](C)(O)C2)c1F |r|
BDBM633929 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)C=C)c4cc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:11.24.12.13:15|
BDBM637955 Cc1cc(Nc2ncnc3cnc(nc23)N2CCO[C@H]3C[C@@H]23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM633928 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)C=C)c4cc23)ccc1Oc1ccc2n(C)cnc2c1 |r,TLB:20:19:11.24.12.13:15|
BDBM637903 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM633930 Cc1cc(Nc2ncnc3cc4OC[C@H]5CN(CCN5C(=O)C=C)c4cc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:11.24.12.13:15|
BDBM633931 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3nc21 |r,TLB:6:8:16.44.15.14:12|
BDBM633932 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3cc21 |r,TLB:6:8:16.44.15.14:12|
BDBM633933 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3cc21 |r,TLB:6:8:16.43.15.14:12|
BDBM633934 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3cc21 |r,TLB:6:8:16.43.15.14:12|
BDBM633935 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:6:8:16.43.15.14:12|
BDBM633936 CC#CC(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3cc21 |r,TLB:3:5:13.41.12.11:9|
BDBM633937 CC#CC(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3cc21 |r,TLB:3:5:13.40.12.11:9|
BDBM633939 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)C=C)c4nc23)ccc1Oc1ccc2n(C)cnc2c1 |r,TLB:20:19:11.24.12.13:15|
BDBM633940 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:6:8:16.43.15.14:12|
BDBM633941 CC#CC(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3nc21 |r,TLB:3:5:13.41.12.11:9|
BDBM633942 CC#CC(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3cc21 |r,TLB:3:5:13.40.12.11:9|
BDBM633943 CC#CC(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:3:5:13.40.12.11:9|
BDBM638076 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@](C)(O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM633945 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)C=C)c4nc23)ccc1OC1=CC=[N](C)C=C1 |r,wU:14.19,c:41,t:36,38,TLB:20:19:11.24.12.13:15,(3.38,4.72,;3.38,3.18,;2.05,2.41,;2.05,.87,;.72,.1,;.72,-1.44,;2.05,-2.21,;2.05,-3.75,;.72,-4.52,;-.62,-3.75,;-1.95,-4.52,;-3.28,-3.75,;-4.49,-4.72,;-5.99,-4.37,;-6.66,-2.98,;-5.99,-1.6,;-4.49,-1.25,;-5.73,-.01,;-6.96,-.38,;-7.63,-1.69,;-9.17,-1.8,;-10.03,-.52,;-9.85,-3.18,;-11.39,-3.28,;-3.28,-2.21,;-1.95,-1.44,;-.62,-2.21,;3.38,.1,;4.72,.87,;4.72,2.41,;6.05,3.18,;7.38,2.41,;7.38,.87,;8.72,.1,;10.05,.87,;11.39,.1,;10.05,2.41,;8.72,3.18,)|
BDBM638245 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3COC[C@H]23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM633946 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3nc21 |r,TLB:6:8:16.41.15.14:12|
BDBM633947 CCc1ccc(Oc2ccc(Nc3ncnc4cc5OC[C@@H]6CN(CCN6C(=O)C=C)c5nc34)cc2C)cn1 |r,TLB:27:26:18.31.19.20:22|
BDBM633948 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)C(F)=C)c4nc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:11.25.12.13:15|
BDBM633949 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:16.44.15.14:12|
BDBM633950 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5cccnc5)c(C)c4)c3nc21 |r,TLB:6:8:16.40.15.14:12|
BDBM633951 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)\C=C\CN5CCC5)c4nc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:11.29.12.13:15|
BDBM633952 CN1CCC[C@@H]1\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:8:10:18.45.17.16:14|
BDBM633953 CN1CCC[C@H]1\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:8:10:18.45.17.16:14|
BDBM633954 C[C@H](\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21)N(C)C |r,TLB:4:6:10:41.14.12.13|
BDBM633955 C[C@@H](\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21)N(C)C |r,TLB:4:6:10:41.14.12.13|
BDBM633956 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)cc4)c3nc21 |r,TLB:6:8:12:42.16.14.15|
BDBM633957 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM633958 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)C=C)c4nc23)ccc1Oc1ccn2ccnc2c1 |r,TLB:20:19:15:24.11.13.12|
BDBM633959 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM633960 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3nc21 |r,TLB:6:8:12:44.16.14.15|
BDBM633961 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM633962 CNC\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:5:7:11:42.15.13.14|
BDBM633963 CCc1ccc(Oc2ccc(Nc3ncnc4cc5OC[C@@H]6CN(CCN6C(=O)\C=C\CN(C)C)c5nc34)cc2C)cn1 |r,TLB:27:26:22:35.18.20.19|
BDBM633964 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(F)c4)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM633965 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c(F)c21 |r,TLB:6:8:12:44.16.14.15|
BDBM633966 CN1CCC[C@@H]1\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:8:10:14:46.18.16.17|
BDBM633967 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM633968 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(Cl)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:12:44.16.14.15|
BDBM633969 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5cncc(F)c5)cc4F)c3nc21 |r,TLB:6:8:12:42.16.14.15|
BDBM633970 CN1CC(C1)\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:7:9:13:44.17.15.16|
BDBM638260 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3[C@H]4CC[C@H](O4)[C@H]3C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638261 CN(CC(C)(C)CO)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638262 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@](C)(O)C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638263 CN([C@H]1C[C@H](O)C1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r,wU:4.4,wD:2.1,(5.63,.77,;5.63,-.77,;6.96,-1.54,;7.36,-3.03,;8.85,-2.63,;10.18,-3.4,;8.45,-1.14,;4.3,-1.54,;4.3,-3.08,;2.96,-3.85,;1.63,-3.08,;.3,-3.85,;-1.04,-3.08,;-1.04,-1.54,;.3,-.77,;.3,.77,;-1.04,1.54,;-1.04,3.08,;-2.37,3.85,;-3.7,3.08,;-5.04,3.85,;-6.37,3.08,;-7.71,3.85,;-9.04,3.08,;-9.04,1.54,;-10.18,.51,;-9.56,-.9,;-8.03,-.74,;-7.71,.77,;-6.37,1.54,;-3.7,1.54,;-5.04,.77,;-2.37,.77,;1.63,-1.54,;2.96,-.77,)|
BDBM638264 Clc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](C2)C#N)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638265 CN([C@@H]1CCCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM637895 CSc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637896 Cc1cc(Nc2ncnc3cnc(nc23)S(C)(=O)=O)ccc1Oc1ccc2n(C)cnc2c1
BDBM637897 CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637899 Cc1onc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)S(C)(=O)=O)cc3C)ccc12
BDBM637900 COc1ncc2ncnc(Nc3ccc(Oc4ccc5c(C)onc5c4)c(C)c3)c2n1
BDBM637901 COc1ncc2ncnc(Nc3ccc(Oc4ccc5csnc5c4)c(C)c3)c2n1
BDBM637995 CON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3Cl)c2n1
BDBM637996 CN([C@H]1CN(C)C[C@H]1F)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637997 COC[C@H](O)CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637998 CN(CCC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM637999 CN(CCC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638034 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCC2=O)ccc1Oc1ccn2ncnc2c1
BDBM638035 Cc1cc(Nc2ncnc3cnc(N=S4(=O)CCOCC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638036 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCS2(=O)=O)ccc1Oc1ccc2n(C)cnc2c1
BDBM638037 CC1CN(c2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)S(=O)(=O)C1
BDBM638038 CON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1
BDBM638039 CON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3F)c2n1
BDBM638127 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCC22COC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638128 Cc1cnc(o1)-c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638129 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(CS(C)(=O)=O)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638130 Cc1cc(Nc2ncnc3cnc(nc23)-c2cccnc2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638131 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3C(C2)C3(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638132 Cc1cc(Nc2ncnc3cnc(nc23)-c2cscn2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638325 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCO2)ccc1Oc1ccn2ncnc2c1
BDBM638326 FC(F)(F)[C@H]1CN(CCN1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638327 Clc1cc(Nc2ncnc3cnc(nc23)N2CCN3CCOC[C@H]3C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638328 Clc1cc(Nc2ncnc3cnc(nc23)N2CCN3CCOC[C@@H]3C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638329 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@H]3COC[C@H]23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638330 Clc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3CCS(=O)(=O)[C@H]3C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638361 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CC(C2)C3O)ccc1Oc1ccc2n(C)cnc2c1
BDBM638362 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(CCC3O)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638363 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3COC[C@@H]3C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638364 CN([C@H]1C[C@H](C1)C(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r,wU:2.1,4.6,(5.48,1.32,;5.48,-.22,;6.81,-.99,;8.3,-.6,;8.69,-2.09,;7.2,-2.48,;10.02,-2.86,;11.56,-2.86,;10.79,-1.53,;10.02,-4.4,;4.14,-.99,;4.14,-2.53,;2.81,-3.3,;1.48,-2.53,;.14,-3.3,;-1.19,-2.53,;-1.19,-.99,;.14,-.22,;.14,1.32,;-1.19,2.09,;-1.19,3.63,;-2.52,4.4,;-3.86,3.63,;-5.19,4.4,;-6.52,3.63,;-6.52,2.09,;-7.86,1.32,;-9.19,2.09,;-10.66,1.62,;-11.13,.15,;-11.56,2.86,;-10.66,4.11,;-9.19,3.63,;-7.86,4.4,;-3.86,2.09,;-5.19,1.32,;-2.52,1.32,;1.48,-.99,;2.81,-.22,)|
BDBM638365 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H](O)C(C)(C)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638366 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](CC#N)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638266 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC22COC2)ccc1Oc1ccn2ncnc2c1
BDBM638267 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H]2C(C)(C)O)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638268 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@H]2C(C)(C)O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638269 CN(CC(F)F)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1
BDBM638270 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(C2)CCOC3)ccc1Oc1ccn2ncnc2c1
BDBM638271 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@]22CCOC2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM637902 COc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637904 CSc1ncc2ncnc(Nc3ccc(Oc4ccc5conc5c4)c(C)c3)c2n1
BDBM637905 CSc1ncc2ncnc(Nc3ccc(Oc4ccc5csnc5c4)c(C)c3)c2n1
BDBM637906 CSc1ncc2ncnc(Nc3ccc(Oc4ccc5c(C)onc5c4)c(C)c3)c2n1
BDBM637907 CCOc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637908 Cc1cc(Nc2ncnc3cnc(NC4CCC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638000 Cc1c(CNc2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)cnn1C
BDBM638001 CCC[C@H]1C[C@@H](O)CN1c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638002 CC[C@@H]1[C@@H](O)C[C@H](C)N1c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638003 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@](O)(C2)C(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638004 CO[C@@H]1CN(C[C@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638005 CN(c1cnn(C)c1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638040 CN1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1
BDBM638041 C[C@@H]1COCCN1c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1 |r|
BDBM638042 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCC44COC4)cc3Cl)ccc12
BDBM638043 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCN[C@H](C4)C(F)(F)F)cc3Cl)ccc12 |r|
BDBM638044 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CCC[C@](C)(O)C2)c1F |r|
BDBM638045 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCC4)cc3Cl)ccc12
BDBM638133 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(F)(F)CC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638134 COC1CC2(C1)CN(C2)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638135 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC2C(F)(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638136 Cc1cc(Nc2ncnc3cnc(nc23)-c2ccccn2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638137 COCCOC1CN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638138 CNc1ncc2ncnc(Nc3ccc(Oc4ccc5csnc5c4)c(C)c3)c2n1
BDBM638331 Clc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@]22CCOC2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638332 CC1(O)CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638333 CON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638334 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCCS2(=O)=O)ccc1Oc1ccc2n(C)cnc2c1
BDBM638335 CN(CC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3F)c2n1
BDBM638336 C[C@@H]1CN(CCN1C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1 |r|
BDBM638367 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3C[C@H]2C[C@@H]3O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638368 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3C[C@H]2C[C@H]3O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638370 CN(C1CCCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638371 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[Si](C)(C)CC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638372 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(C)(C2)C#N)ccc1Oc1ccc2n(C)cnc2c1
BDBM638198 Cc1cc(Nc2ncnc3cnc(O[C@@H]4CNCC4(F)F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638199 CN1C[C@H](F)C[C@@H](C1)Oc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638200 Cc1cc(Nc2ncnc3cnc(O[C@H]4CNCC4(F)F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638201 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CCC(C)(O)CC2)c1F
BDBM638202 CN([C@@H]1CN(C)C[C@@H]1F)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638203 CN(CC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3F)c2n1
BDBM638272 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@]3(CCO3)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638273 Clc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H]3COC[C@@H]23)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638274 Clc1cc(Nc2ncnc3cnc(nc23)N2CCC3COCC23)ccc1Oc1ccn2ncnc2c1
BDBM638276 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC2)ccc1Oc1ccn2ncnc2c1
BDBM638277 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637909 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3(CCOC3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637910 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3C4CCC(O4)C3C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637911 Cc1cc(Nc2ncnc3cnc(N[C@H]4CCOC4)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637912 Cc1cc(Nc2ncnc3cnc(NC45CC(C4)C5)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM637914 Cc1cc(Nc2ncnc3cnc(NCC4CC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638046 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC5C6CCC(O6)C5C4)cc3Cl)ccc12
BDBM638047 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCN5CCOC[C@H]5C4)cc3Cl)ccc12 |r|
BDBM638048 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCN5CCOC[C@@H]5C4)cc3Cl)ccc12 |r|
BDBM638049 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC[C@@H](C4)C#N)cc3Cl)ccc12 |r|
BDBM638050 CN(C1CCOCC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638051 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@](C)(O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638139 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCCC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638140 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)ccc1Oc1ccc2csnc2c1
BDBM638141 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(C2)OC(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638142 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(COC(F)F)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638143 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(C)(O)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638144 Cc1nc(cs1)-c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638337 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4C[C@@H]5C[C@H]4CO5)cc3Cl)ccc12 |r|
BDBM638338 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4C5CCC4COC5)cc3Cl)ccc12
BDBM638339 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC5(C4)CCOC5)cc3Cl)ccc12
BDBM638340 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCC5(CCOC5)C4)cc3Cl)ccc12
BDBM638341 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC[C@H](C4)C#N)cc3Cl)ccc12 |r|
BDBM638342 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCN[C@@H](C4)C(F)(F)F)cc3Cl)ccc12 |r|
BDBM638204 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@](C)(O)C2)c1F |r|
BDBM638205 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@@](C)(O)C2)c1F |r|
BDBM638206 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@H]2C(C)(C)O)c1F |r|
BDBM638208 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@H](O)C2)c1F |r|
BDBM638209 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@@H](O)C2)c1F |r|
BDBM638278 CN([C@H]1CCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|
BDBM638279 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOC3CC23)ccc1Oc1ccn2ncnc2c1
BDBM638280 Clc1cc(Nc2ncnc3cnc(nc23)N2CC3CCC(C2)O3)ccc1Oc1ccn2ncnc2c1
BDBM638281 Clc1cc(Nc2ncnc3cnc(nc23)N2CCO[C@H]3C[C@@H]23)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638282 CN(CC1(O)CC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1
BDBM638283 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@]3(CCO3)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637898 CNc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637993 CON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1
BDBM638178 C[C@@H]1CN(CCN1C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637629 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:12:44.16.14.15|
BDBM637915 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(C2)CCOC3)ccc1Oc1ccc2n(C)cnc2c1
BDBM637916 CON(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637917 CC(=O)N1CC2CC(C1)N2c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637918 CC(=O)N1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637919 C[C@H]1CN(C[C@@H](C)O1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637920 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(COC3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638052 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCO2)ccc1Oc1cc(F)c2n(C)cnc2c1
BDBM638053 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(C2)CC(C)(O)C3)ccc1Oc1ccc2n(C)cnc2c1
BDBM638054 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2C[C@@H]3O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638055 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CC3(O)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638145 CO[C@H]1CCCN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638146 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@H]2C(F)(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638147 C[C@H]1CCN(C1=O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638148 Cc1cc(Nc2ncnc3cnc(NCC(F)F)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638149 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](C2)C(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638150 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)C(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638343 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4C[C@@H]5CC[C@H]4CO5)cc3Cl)ccc12 |r|
BDBM638344 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC5CCC(C4)O5)cc3Cl)ccc12
BDBM638345 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCOC(C)(C)C4)cc3Cl)ccc12
BDBM638346 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCOC5(CC5)C4)cc3Cl)ccc12
BDBM638347 C[C@H]1CN(CCO1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1 |r|
BDBM638348 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4C[C@H]5CC[C@@H]4CO5)cc3Cl)ccc12 |r|
BDBM638210 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2C[C@@H]3CC2CO3)c1F |r|
BDBM638211 CN(CC1(O)CC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3F)c2n1
BDBM638212 CN(CC1(O)CCC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3F)c2n1
BDBM638213 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(nc23)N2C[C@@H](O)C(F)(F)C2)c1F |r|
BDBM638214 CN(CC(F)F)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3F)c2n1
BDBM638215 Cc1c(Oc2ccn3ncnc3c2)ccc(Nc2ncnc3cnc(N[C@H]4CNC[C@H]4F)nc23)c1F |r|
BDBM638284 Clc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)C#N)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638285 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H]2C(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638286 Clc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3CC[C@@H]2CO3)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638287 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H]2C(F)F)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638288 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@]3(CCOC3)CC2=O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638289 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@@H](O)C2)c1F |r|
BDBM637921 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC22COC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637922 CN1CCN(C1=O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637923 CN1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)S1(=O)=O
BDBM637924 Cc1cc(Nc2ncnc3cnc(NC4CC(F)(F)C4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM637925 CN(C1CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637926 Cc1cc(Nc2ncnc3cnc(NC4=NC(C)(C)CO4)nc23)ccc1Oc1ccc2n(C)cnc2c1 |t:14|
BDBM638056 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN(CC2)C2COC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638057 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(O)(C2)C(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638059 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](F)[C@@H](O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638061 CN(CC1(O)CCC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638151 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3CCCN3C2=O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638152 Cc1cc(Nc2ncnc3cnc(nc23)N2C3CC2COC3)ccc1Oc1ccc2n(C)cnc2c1
BDBM638153 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CCC(C2)O3)ccc1Oc1ccc2n(C)cnc2c1
BDBM638154 C[C@@H]1COCCN1c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638155 C[C@H]1COCCN1c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638156 Cc1cc(Nc2ncnc3cnc(NC4COC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638349 C[C@@H]1CN(CCO1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1 |r|
BDBM638350 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@H]2C(C)(C)O)c1F |r|
BDBM638351 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC3CC2CO3)c1F
BDBM638352 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4C[C@H]5C[C@@H]4CO5)cc3Cl)ccc12 |r|
BDBM638353 CN(CC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1
BDBM638354 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2CO3)c1F |r|
BDBM637608 Cc1cc(Nc2ncnc3cc4OC[C@H]5CN(CCN5C(=O)C=C)c4cc23)ccc1Oc1ccc2n(C)cnc2c1 |r,TLB:20:19:24.11.13.12:15|
BDBM637611 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3nc21 |r,TLB:6:8:44.16.14.15:12|
BDBM638216 Cc1cc(Nc2ncnc3cnc(NCC4(O)COC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638217 CN([C@H]1CN(C)C[C@H]1F)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3F)c2n1 |r|
BDBM638218 COC[C@H]1CCN1c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638219 Clc1cc(Nc2ncnc3cnc(nc23)N2C3CCC2COC3)ccc1Oc1ccn2ncnc2c1
BDBM638220 O[C@@H]1CN(CC1(F)F)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638221 CC1(O)CN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638290 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4C[C@H]5[C@@H](C4)[C@@H]5C#N)cc3Cl)ccc12 |r|
BDBM638292 CO[C@@H]1CCN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|
BDBM638293 CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638294 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H]2C(C)(C)O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638295 Clc1cc(Nc2ncnc3cnc(nc23)N2CCOC3(CC3)C2)ccc1Oc1ccn2ncnc2c1
BDBM637927 CN1C2CC1CN(C2)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637928 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCC2=O)ccc1Oc1ccc2n(C)cnc2c1
BDBM637929 CON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637930 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637931 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(C2)C(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM637932 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(F)(F)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638062 CN([C@H]1C[C@@](C)(O)C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r,wU:2.1,4.5,wD:4.4,(6.18,.81,;6.14,-.73,;7.49,-1.46,;8.99,-1.08,;9.37,-2.57,;10.91,-2.57,;10.13,-3.91,;7.87,-2.95,;4.8,-1.48,;4.8,-3.02,;3.46,-3.79,;2.13,-3.02,;.79,-3.79,;-.54,-3.02,;-.54,-1.48,;.79,-.71,;.82,.83,;-.52,1.6,;-.52,3.14,;-1.85,3.91,;-3.18,3.14,;-4.55,3.86,;-5.87,3.07,;-5.87,1.53,;-7.2,.76,;-8.54,1.53,;-10,1.06,;-10.4,-.43,;-10.91,2.3,;-10,3.55,;-8.54,3.07,;-7.2,3.84,;-3.18,1.6,;-4.48,.77,;-1.85,.83,;2.13,-1.48,;3.46,-.71,)|
BDBM638063 CN(CC1(O)CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638064 C[C@@H]1CN(C[C@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638065 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(O)(CC2)C(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638066 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638067 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H](O)C(F)(F)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638157 CO[C@@H]1C[C@@H](C1)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r,wU:4.6,2.1,(11.46,-2.63,;10.13,-3.4,;8.8,-2.63,;8.4,-1.14,;6.91,-1.54,;7.31,-3.03,;5.58,-.77,;4.24,-1.54,;4.24,-3.08,;2.91,-3.85,;1.58,-3.08,;.24,-3.85,;-1.09,-3.08,;-1.09,-1.54,;.24,-.77,;.24,.77,;-1.09,1.54,;-1.09,3.08,;-2.43,3.85,;-3.76,3.08,;-5.09,3.85,;-6.43,3.08,;-6.43,1.54,;-7.76,.77,;-9.09,1.54,;-10.56,1.06,;-11.03,-.4,;-11.46,2.31,;-10.56,3.56,;-9.09,3.08,;-7.76,3.85,;-3.76,1.54,;-5.09,.77,;-2.43,.77,;1.58,-1.54,;2.91,-.77,)|
BDBM638158 CC(C)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638159 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2CO3)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638160 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CCOCC2)c1F
BDBM638161 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(CC3)CS2(=O)=O)ccc1Oc1ccc2n(C)cnc2c1
BDBM638162 C[C@@H]1CN(CCO1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638355 Cc1c(Oc2ccc3n(C)cnc3c2)ccc(Nc2ncnc3cnc(nc23)N2CC[C@H](O)C2)c1F |r|
BDBM638356 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2C[C@H]3O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638357 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(F)(F)[C@@H](O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638358 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@](C)(O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638359 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CCOC3C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638360 Cc1cc(Nc2ncnc3cnc(nc23)N2CCP(C)(=O)CC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637612 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3cc21 |r,TLB:6:8:44.16.14.15:12|
BDBM637616 CC#CC(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3cc21 |r,TLB:3:5:41.13.11.12:9|
BDBM637619 Cc1cc(Nc2ncnc3cc4OC[C@H]5CN(CCN5C(=O)C=C)c4nc23)ccc1Oc1ccc2n(C)cnc2c1 |r,TLB:20:19:24.11.13.12:15|
BDBM637621 CC#CC(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3nc21 |r,TLB:3:5:41.13.11.12:9|
BDBM637623 CC#CC(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:3:5:40.13.11.12:9|
BDBM637625 Cc1ccc(Oc2ccc(Nc3ncnc4cc5OC[C@H]6CN(CCN6C(=O)C=C)c5nc34)cc2C)cn1 |r,TLB:26:25:30.17.19.18:21|
BDBM638222 COC[C@H](O)CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638223 OC1(CNc2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4)c3n2)COC1
BDBM638224 C[C@H]1CN(CCO1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638225 COC[C@@H]1CCN1c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638226 CN(CC1(O)CCC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638227 CC1(C)CN(CCO1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638296 Clc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3[C@H]4CC[C@H](O4)[C@H]3C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638297 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)C(F)F)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638298 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3[C@@H](C2)[C@@H]3C#N)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637933 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CC(C3)C2)ccc1Oc1ccc2n(C)cnc2c1 |(-3.48,.77,;-2.15,1.54,;-.82,.77,;.52,1.54,;1.85,.77,;1.85,-.77,;.52,-1.54,;.52,-3.08,;1.85,-3.85,;3.19,-3.08,;4.52,-3.85,;5.85,-3.08,;5.85,-1.54,;4.52,-.77,;3.19,-1.54,;7.19,-.77,;8.52,-1.54,;9.85,-.77,;9.85,.77,;8.52,1.54,;8.52,,;7.19,.77,;.52,3.08,;-.82,3.85,;-2.15,3.08,;-3.48,3.85,;-4.82,3.08,;-4.82,1.54,;-6.15,.77,;-7.48,1.54,;-8.95,1.06,;-9.42,-.4,;-9.85,2.31,;-8.95,3.56,;-7.48,3.08,;-6.15,3.85,)|
BDBM637934 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCC(C2)OC(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM637935 Cc1cnc(s1)-c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637936 Cc1ncc(s1)-c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637937 COC1CN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637938 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC2)ccc1Oc1ccc2scnc2c1
BDBM638068 CN([C@H]1C[C@](C)(O)C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r,wU:4.5,wD:2.1,4.4,(6.19,.82,;6.15,-.71,;7.5,-1.46,;7.86,-2.95,;9.36,-2.6,;10.9,-2.6,;10.14,-3.92,;9,-1.1,;4.81,-1.47,;4.81,-3.01,;3.47,-3.78,;2.14,-3.01,;.8,-3.78,;-.53,-3.01,;-.53,-1.47,;.8,-.7,;.83,.84,;-.51,1.61,;-.51,3.15,;-1.84,3.92,;-3.17,3.15,;-4.54,3.87,;-5.86,3.09,;-5.86,1.55,;-7.19,.78,;-8.53,1.55,;-9.99,1.07,;-10.39,-.42,;-10.9,2.32,;-9.99,3.56,;-8.53,3.09,;-7.19,3.86,;-3.17,1.61,;-4.46,.77,;-1.84,.84,;2.14,-1.47,;3.47,-.7,)|
BDBM638069 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN[C@@H](C2)C(F)(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638070 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](C2)C#N)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638071 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638072 CN(C1COC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638073 CN([C@H]1CCC[C@@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638163 CSc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3F)c2n1
BDBM638164 CC1CCN(c2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)S1(=O)=O
BDBM638165 Cc1cc(Nc2ncnc3cnc(NC4(C)CC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638166 CCNc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)ccc5c4)c(C)c3)c2n1
BDBM638167 Cc1cc(Nc2ncnc3cnc(NC4CC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638168 CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5scnc5c4)c(C)c3)c2n1
BDBM638169 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOC(C)(C)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637626 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3nc21 |r,TLB:6:8:41.16.14.15:12|
BDBM637627 CCc1ccc(Oc2ccc(Nc3ncnc4cc5OC[C@H]6CN(CCN6C(=O)C=C)c5nc34)cc2C)cn1 |r,TLB:27:26:31.18.20.19:22|
BDBM637628 Cc1cc(Nc2ncnc3cc4OC[C@H]5CN(CCN5C(=O)C(F)=C)c4nc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:25.11.13.12:15|
BDBM637630 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5cccnc5)c(C)c4)c3nc21 |r,TLB:6:8:12:40.16.14.15|
BDBM637631 Cc1cc(Nc2ncnc3cc4OC[C@H]5CN(CCN5C(=O)\C=C\CN5CCC5)c4nc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:15:29.11.13.12|
BDBM638228 CN(Cc1ccccc1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638229 O[C@@H]1C[C@H]2C[C@@H]1CN2c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638230 O[C@@H]1C[C@@H]2C[C@H]1CN2c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638231 O[C@H]1C[C@@H]2C[C@H]1CN2c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638232 O[C@H]1C[C@H]2C[C@@H]1CN2c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638233 O[C@@H]1[C@H]2C[C@@H]1CN(C2)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM633971 CN(C)C\C=C\C(=O)N1CCN2C[C@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:12:44.16.14.15|
BDBM637913 CN(CC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637939 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCC3(COC3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637940 CCOc1ncc2ncnc(Nc3ccc(Oc4ccc5scnc5c4)c(C)c3)c2n1
BDBM637941 Cc1cc(Nc2ncnc3cnc(nc23)-c2ccncc2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637942 Cc1cc(Nc2ncnc3cnc(nc23)-c2cnco2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637943 CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5csnc5c4)c(C)c3)c2n1
BDBM637944 CNc1ncc2ncnc(Nc3ccc(Oc4ccc5scnc5c4)c(C)c3)c2n1
BDBM637945 C[C@@H]1CCN(C1=O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638074 Cc1cc(Nc2ncnc3cnc(OCC(F)F)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638075 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCO2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638077 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN3CCOC[C@H]3C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638078 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOC(C2)C(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638079 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN[C@H](C2)C(F)(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638170 Cc1cc(Nc2ncnc3cnc(NC4CCCC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638171 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3C[C@H]2CO3)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638172 Cc1cc(Nc2ncnc3cnc(N[C@@H]4CCOC4)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638173 Cc1cc(Nc2ncnc3cnc(N[C@H]4CNC[C@H]4F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638174 C[C@@H]1CN(CCN1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638175 C[C@H]1CN(CCN1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638373 Cc1cc(Nc2ncnc3cnc(OCC(C)(C)O)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638374 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN(CC(F)F)CC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638375 CCN(CC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637632 CN1CCC[C@@H]1\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:8:10:14:45.18.16.17|
BDBM637633 CN1CCC[C@H]1\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:8:10:14:45.18.16.17|
BDBM637634 C[C@H](\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21)N(C)C |r,TLB:4:6:10:41.14.12.13|
BDBM637635 C[C@@H](\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21)N(C)C |r,TLB:4:6:10:41.14.12.13|
BDBM637636 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)cc4)c3nc21 |r,TLB:6:8:12:42.16.14.15|
BDBM638234 CC1(C)CN(CC[C@@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638235 O[C@H]1CN(CC[C@@H]1F)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638236 CC1(C)CN(C[C@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638237 C[C@H]1CN(C[C@@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638238 O[C@H]1[C@H]2CC[C@@H]1CN(C2)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638239 O[C@@H]1[C@H]2CC[C@@H]1CN(C2)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM637946 Cc1cc(Nc2ncnc3cnc(NC4CCC4(F)F)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM637947 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3CC[C@H]2CO3)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637948 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3CC[C@@H]2CO3)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637949 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@H]2C(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637950 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@H]2C(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637951 CN(CC(F)F)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638080 CN([C@@H]1C[C@H](O)C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r,wU:2.1,4.4,(6.27,.77,;6.25,-.77,;7.58,-1.54,;7.97,-3.03,;9.46,-2.64,;10.79,-3.42,;9.07,-1.15,;4.91,-1.54,;4.91,-3.08,;3.58,-3.85,;2.25,-3.08,;.91,-3.85,;-.42,-3.08,;-.42,-1.54,;.91,-.77,;.91,.77,;-.42,1.54,;-.42,3.08,;-1.75,3.85,;-3.09,3.08,;-4.42,3.85,;-5.75,3.08,;-5.75,1.54,;-7.09,.77,;-8.42,1.54,;-9.89,1.06,;-10.36,-.4,;-10.79,2.31,;-9.89,3.56,;-8.42,3.08,;-7.09,3.85,;-3.09,1.54,;-4.42,.77,;-1.75,.77,;2.25,-1.54,;3.58,-.77,)|
BDBM638081 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)C#N)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638082 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H](O)C(F)(F)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638083 CN([C@H]1C[C@H](O)C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r,wU:4.4,wD:2.1,(6.27,.77,;6.25,-.77,;7.58,-1.54,;7.97,-3.03,;9.46,-2.64,;10.79,-3.42,;9.07,-1.15,;4.91,-1.54,;4.91,-3.08,;3.58,-3.85,;2.25,-3.08,;.91,-3.85,;-.42,-3.08,;-.42,-1.54,;.91,-.77,;.91,.77,;-.42,1.54,;-.42,3.08,;-1.75,3.85,;-3.09,3.08,;-4.42,3.85,;-5.75,3.08,;-5.75,1.54,;-7.09,.77,;-8.42,1.54,;-9.89,1.06,;-10.36,-.4,;-10.79,2.31,;-9.89,3.56,;-8.42,3.08,;-7.09,3.85,;-3.09,1.54,;-4.42,.77,;-1.75,.77,;2.25,-1.54,;3.58,-.77,)|
BDBM638084 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(CC3)CO2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638176 CN1C[C@@H](F)[C@H](C1)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638177 C[C@H]1CN(CCN1C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638179 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(CCO3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638181 Cc1cc(Nc2ncnc3cnc(O[C@H]4CCNC[C@H]4F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638376 CN(CCC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1
BDBM638377 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCC(C)(O)CC4)cc3Cl)ccc12
BDBM638378 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2CO3)c(F)cc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638379 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(C)(O)CC2)c(Cl)cc1Oc1ccc2n(C)cnc2c1
BDBM638380 CCON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638381 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCN(CC(F)F)CC4)cc3Cl)ccc12
BDBM637637 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(Cl)c4)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM637638 Cc1cc(Nc2ncnc3cc4OC[C@H]5CN(CCN5C(=O)C=C)c4nc23)ccc1Oc1ccn2ccnc2c1 |r,TLB:20:19:15:24.11.13.12|
BDBM637639 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM637640 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3nc21 |r,TLB:6:8:12:44.16.14.15|
BDBM637642 CNC\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:5:7:11:42.15.13.14|
BDBM637952 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOC3(CC3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM637953 Cc1cc(Nc2ncnc3cnc(nc23)N2C3CCC2COC3)ccc1Oc1ccc2n(C)cnc2c1
BDBM637954 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOC3CC23)ccc1Oc1ccc2n(C)cnc2c1
BDBM637956 Cc1cc(Nc2ncnc3cnc(nc23)N2CCO[C@@H]3C[C@@H]23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637957 COC[C@@H](C)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638085 CN(CC(O)C(F)(F)F)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638086 C[C@@H](O)CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638087 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN3CCOC[C@@H]3C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638088 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(C)(O)CO2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638089 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(CC#N)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638090 CN([C@@H]1CCC[C@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638182 Cc1cc(Nc2ncnc3cnc(O[C@H]4CCNC[C@@H]4F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638183 CN1CC[C@H](Oc2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)[C@H](F)C1 |r|
BDBM638184 CN1C[C@@H](F)[C@H](C1)Oc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638185 CN1CC[C@H](Oc2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)[C@@H](F)C1 |r|
BDBM638186 Cc1cc(Nc2ncnc3cnc(O[C@H]4CNCC[C@@H]4F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638187 Cc1cc(Nc2ncnc3cnc(O[C@H]4CNCC[C@H]4F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638382 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCN(CC4)C4COC4)cc3Cl)ccc12
BDBM638383 CON1CCN(CC1)c1ncc2ncnc(Nc3cc(C)c(Oc4ccc5n(C)cnc5c4)cc3F)c2n1
BDBM638384 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(C2)CC(O)(C3)C(F)(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638385 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H](O)C3(CC3)C2)c(Cl)cc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638386 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC[C@@H]5COC[C@@H]45)cc3Cl)ccc12 |r|
BDBM637643 CCc1ccc(Oc2ccc(Nc3ncnc4cc5OC[C@H]6CN(CCN6C(=O)\C=C\CN(C)C)c5nc34)cc2C)cn1 |r,TLB:27:26:22:35.18.20.19|
BDBM637644 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(F)c4)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM637645 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c(F)c21 |r,TLB:6:8:12:44.16.14.15|
BDBM637646 CN1CCC[C@@H]1\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:8:10:14:46.18.16.17|
BDBM637647 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:12:43.16.14.15|
BDBM637958 COC[C@H](C)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637959 C[C@@H](COC(F)(F)F)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637960 C[C@H](COC(F)(F)F)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637962 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3CCCN3C2=O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637963 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3COC(C3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638091 CO[C@@H]1CN(C[C@@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638092 C[C@H](O)CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638093 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@](C)(O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638094 CO[C@H]1CN(C[C@H]1O)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638095 Cc1cc(Nc2ncnc3cnc(nc23)N2CCNC(=O)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638096 Cc1cc(Nc2ncnc3cnc(nc23)N2CCO[C@@H]3C[C@H]23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638188 Cc1cc(Nc2ncnc3cnc(OCC4(F)CNC4)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638189 CN1CC(F)(COc2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)C1
BDBM638190 CN1CC[C@@H](F)[C@H](C1)Oc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638192 Cc1cc(Nc2ncnc3cnc(O[C@@H]4CNC[C@H](F)C4)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638193 CN1CC[C@H](F)[C@H](C1)Oc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638388 CN(CC(C)(C)O)c1ncc2ncnc(Nc3cc(C)c(Oc4ccc5n(C)cnc5c4)cc3F)c2n1
BDBM638389 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4C[C@@H]5C[C@H]4C[C@H]5O)cc3Cl)ccc12 |r|
BDBM637648 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(Cl)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:6:8:12:44.16.14.15|
BDBM637649 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5cncc(F)c5)cc4F)c3nc21 |r,TLB:6:8:12:42.16.14.15|
BDBM637650 CN1CC(C1)\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:7:9:13:44.17.15.16|
BDBM637652 C[C@@H](\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21)N(C)C |r,TLB:4:6:10:42.14.12.13|
BDBM633926 Cc1cc(Nc2ncnc3cc4OC[C@@H]5CN(CCN5C(=O)C=C)c4nc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:11.24.12.13:15|
BDBM633927 Cc1cc(Nc2ncnc3cc4OC[C@H]5CN(CCN5C(=O)C=C)c4nc23)ccc1Oc1ccn2ncnc2c1 |r,TLB:20:19:11.24.12.13:15|
BDBM637982 Cc1cc(Nc2ncnc3cnc(O[C@@H]4CNC[C@@H]4F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637965 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CC(C2)O3)ccc1Oc1ccc2n(C)cnc2c1
BDBM637966 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)ccc1Oc1cc(F)c2n(C)cnc2c1
BDBM637967 CN(C)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3F)c2n1
BDBM637968 C[C@H]1CN(C[C@H](C)O1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637969 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)ccc1Oc1ccc2n(cnc2c1)C1CC1
BDBM638007 Cc1cc(Nc2ncnc3cnc(C)nc23)ccc1Oc1ccn2ncnc2c1
BDBM638008 CCN(c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1)[C@]1(C)CCOC1 |r|
BDBM638009 Clc1cc(Nc2ncnc3cnc(nc23)N2CCC2)ccc1Oc1ccn2ncnc2c1
BDBM638097 Cc1cc(Nc2ncnc3cnc(NCC(C)(C)C#N)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638098 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](CC#N)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638099 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H](O)C(F)(F)C2)c(F)cc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638100 CN(CC(C)(C)C#N)c1ncc2ncnc(Nc3ccc(Oc4cc(F)c5n(C)cnc5c4)c(C)c3)c2n1
BDBM638101 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2CO3)ccc1Oc1cc(F)c2n(C)cnc2c1 |r|
BDBM638102 CN(CC(C)(C)C#N)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638194 Cc1cc(Nc2ncnc3cnc(N[C@@H]4CNCC4(F)F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638195 COC1(C)CN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638196 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(F)(F)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638197 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(CC3(F)F)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638299 CN(CC1COC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638300 CN(C1COC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1
BDBM637654 CNC\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21 |r,TLB:5:7:11:43.15.13.14|
BDBM637655 C[C@H](\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4F)c3nc21)N(C)C |r,TLB:4:6:10:42.14.12.13|
BDBM637656 CN(C)C\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5cncc(F)c5)c(C)c4)c3nc21 |r,TLB:6:8:12:41.16.14.15|
BDBM637658 CN1CC(F)(C1)\C=C\C(=O)N1CCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r,TLB:8:10:14:45.18.16.17|
BDBM638240 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(C2)C(C)(C)O)ccc1Oc1ccn2ncnc2c1
BDBM638241 Cc1cc(Nc2ncnc3cnc(nc23)N(CC(F)F)CC(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638242 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3(CCO3)CC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638026 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3COCC23)ccc1Oc1ccc2n(C)cnc2c1
BDBM637970 C[C@H]1CN(CCO1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637971 CCn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCOCC4)cc3C)ccc12
BDBM637972 COCCOc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637973 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CC2CO3)ccc1Oc1ccc2n(C)cnc2c1
BDBM637974 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)c(F)cc1Oc1ccc2n(C)cnc2c1
BDBM637975 CC1CCS(=O)(=O)N1c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638010 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)C(C)(C)O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638011 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCC5COCC45)cc3Cl)ccc12
BDBM638012 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@]22CCOC2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638013 CN([C@H]1C[C@@](C)(O)C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3F)c2n1 |r,wU:4.4,wD:2.1,4.5,(6.17,.9,;6.17,-.64,;7.5,-1.41,;7.9,-2.89,;9.39,-2.5,;10.87,-2.1,;9.79,-3.98,;8.99,-1.01,;4.83,-1.41,;4.83,-2.95,;3.5,-3.72,;2.17,-2.95,;.83,-3.72,;-.5,-2.95,;-.5,-1.41,;.83,-.64,;.83,.9,;-.5,1.67,;-.5,3.21,;-1.84,3.98,;-3.17,3.21,;-4.5,3.98,;-5.84,3.21,;-5.84,1.67,;-7.17,.9,;-8.5,1.67,;-9.97,1.2,;-10.44,-.27,;-10.87,2.44,;-9.97,3.69,;-8.5,3.21,;-7.17,3.98,;-3.17,1.67,;-4.5,.9,;-1.84,.9,;-1.84,-.64,;2.17,-1.41,;3.5,-.64,)|
BDBM638014 CN([C@H]1CCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1 |r|
BDBM638015 Cc1cc(Nc2ncnc3cnc(nc23)N2CC(C2)C(C)(C)O)ccc1Oc1ccc2n(C)cnc2c1
BDBM638103 Cc1cc(Nc2ncnc3cnc(N)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638104 Cc1cc(Nc2ncnc3cnc(NCC(F)F)nc23)ccc1Oc1cc(F)c2n(C)cnc2c1
BDBM638105 CN(CCO)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638106 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(C)(O)CC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638107 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(C2)CC(O)(C3)C(F)F)ccc1Oc1ccc2n(C)cnc2c1
BDBM638108 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H](O)C3(CC3)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638301 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)C#N)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638302 CN(CC(C)(C)O)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638303 Clc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](CC#N)C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638304 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H]2C(C)(C)O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638305 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@H]2C(C)(C)O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638306 Clc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)ccc1Oc1ccn2ncnc2c1
BDBM638243 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN3[C@@H](COCC3=O)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638244 Cc1c(F)c(Nc2ncnc3cnc(nc23)N2CC3CC3(O)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638246 CN([C@H]1CCCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|
BDBM638247 CN(CC1CCO1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637976 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCOCC4)cc3F)ccc12
BDBM637977 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CCOCC4)cc3Cl)ccc12
BDBM637978 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)ccc1Oc1ccc2scnc2c1
BDBM637979 Cc1cc(Nc2ncnc3cnc(N[C@@H]4CCNC[C@@H]4F)nc23)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637980 CN1CC[C@@H](Nc2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)[C@@H](F)C1 |r|
BDBM637981 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN(CC(F)(F)F)CC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638016 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](C2)S(C)(=O)=O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638017 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(C)(O)CC2)ccc1Oc1ccn2ncnc2c1
BDBM638018 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2CO3)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638019 CC(C)(O)[C@@H]1CCN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638020 CN(C1COC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(Cl)c3)c2n1
BDBM638021 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)C(C)(C)O)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638109 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H](O)C3(CC3)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638110 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3(CC(O)C3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638111 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@](C)(O)C2)c(F)cc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638112 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(C)(O)CC2)c(F)cc1Oc1ccc2n(C)cnc2c1
BDBM638113 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC22COC2)ccc1Oc1cc(F)c2n(C)cnc2c1
BDBM638114 Cc1cc(Nc2ncnc3cnc(NOCC(C)(C)O)nc23)ccc1Oc1ccc2n(C)cnc2c1
BDBM638307 FC(F)[C@H]1CCN1c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638308 COC1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1
BDBM638309 Cc1cc(Nc2ncnc3cnc(nc23)N2CCOCC2)ccc1Oc1ccn2ncnc2c1
BDBM638310 CN(C[C@H]1COCCO1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638311 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@](C)(O)C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638312 CN([C@@H]1CCCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|
BDBM638248 Clc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638249 C[C@@H]1CN(CCN1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|
BDBM638250 CN(C[C@@H]1COCCO1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638251 FC(F)O[C@@H]1CCN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638252 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN[C@@H](C2)C(F)(F)F)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638253 Clc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@]3(CCOC3)C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM637983 CN1C[C@H](F)[C@@H](C1)Oc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637984 CNc1ncc2ncnc(Nc3ccc(Oc4cc(F)c5n(C)cnc5c4)c(C)c3)c2n1
BDBM637985 CC(=O)N1C2CC1CN(C2)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM637986 CC(=O)O[C@H]1CN(C[C@H]1F)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637987 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H](O)[C@H](F)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638022 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@H](C2)S(C)(=O)=O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638023 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](C2)C(C)(C)O)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638024 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3CC[C@@H]2CO3)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638025 CN(C1CCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638027 FC(F)(F)[C@@H]1CN(CCN1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638115 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@](C)(O)C2)c(F)cc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638116 CON(C)CCNc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638117 CON1CCC(C1)Nc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638118 CCCOc1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638119 Cc1cc(Nc2ncnc3cnc(nc23)N2CCCC2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638120 Cc1ncc(o1)-c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1
BDBM638313 Clc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](CC#N)C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638314 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN3CCOC[C@H]3C2)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638315 Clc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3C[C@@H]2CO3)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638316 Cc1cc(Nc2ncnc3cnc(nc23)N2C3CCC2COC3)ccc1Oc1ccn2ncnc2c1
BDBM638317 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3COCC23)ccc1Oc1ccn2ncnc2c1
BDBM638318 Cc1cc(Nc2ncnc3cnc(nc23)N2CCN[C@H](C2)C(F)(F)F)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638254 Cc1cc(Nc2ncnc3cnc(nc23)N2CCO[C@]3(CCOC3)C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638255 Cn1cnc2cc(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC[C@H](CC#N)C4)cc3Cl)ccc12 |r|
BDBM638256 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](C2)C(F)F)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638257 CN([C@H]1CCCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638258 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H](C2)OC(F)F)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638259 Cc1cc(Nc2ncnc3cnc(NC4=NC(C)(C)CO4)nc23)ccc1Oc1ccn2ncnc2c1 |t:14|
BDBM637988 Cc1cc(Nc2ncnc3cnc(nc23)N2C[C@H]3CCS(=O)(=O)C3C2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637989 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@]22CCOC2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637990 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@]22CCOC2)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM637991 CN([C@@H]1CNC[C@@H]1F)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM637992 CON1CCN(CC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3F)c2n1
BDBM638028 CN([C@H]1CCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638029 Clc1cc(Nc2ncnc3cnc(nc23)N2CCC22COC2)ccc1Oc1ccn2ncnc2c1
BDBM638030 CN([C@H]1CCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1 |r|
BDBM638031 C[N]1=CN=C2C=C(Oc3ccc(Nc4ncnc5cnc(nc45)N4CC[C@@H](CC#N)C4)cc3Cl)C=CC12 |r,c:38,t:1,3,5|
BDBM638032 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CC(C2)O3)ccc1Oc1ccn2ncnc2c1
BDBM638033 C[C@@H]1CN(CCN1C)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|
BDBM638121 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC(CC2)S(C)(=O)=O)ccc1Oc1ccc2n(C)cnc2c1
BDBM638122 Cc1cc(Nc2ncnc3cnc(nc23)N2CC3CC3(C)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638123 Cc1cc(Nc2ncnc3cnc(nc23)-c2ncco2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638124 CO[C@@H]1CCCN(C1)c1ncc2ncnc(Nc3ccc(Oc4ccc5n(C)cnc5c4)c(C)c3)c2n1 |r|
BDBM638125 Cc1cc(Nc2ncnc3cnc(nc23)-c2cnsc2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638126 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC[C@@H]2C(F)(F)F)ccc1Oc1ccc2n(C)cnc2c1 |r|
BDBM638319 Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3(COC3)C2)ccc1Oc1ccc2n(C)cnc2c1
BDBM638320 Cc1cc(Nc2ncnc3cnc(nc23)N2CC[C@@H]2C(C)(C)O)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638321 CN(C1COC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c2n1
BDBM638322 CN1CCC2(CN(C2)c2ncc3ncnc(Nc4ccc(Oc5ccc6n(C)cnc6c5)c(C)c4)c3n2)C1=O
BDBM638323 Clc1cc(Nc2ncnc3cnc(nc23)N2C[C@@H]3C[C@H]2CO3)ccc1Oc1ccn2ncnc2c1 |r|
BDBM638324 CN([C@@H]1CCOC1)c1ncc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2n1 |r|
BDBM50406166 C[C@@H](Nc1nc(C)nc2n(C)c(=O)c(cc12)C1CCN(CC1)C(C)=O)c1cc(N)cc(c1)C(F)(F)F |r|
BDBM50454412 Cc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2-c2ccc(cc2)S(N)(=O)=O)cc1
BDBM50454413 Cc1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(cc1)S(N)(=O)=O
BDBM50454414 CCc1cccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2-c2ccc(cc2)S(N)(=O)=O)c1
BDBM50410354 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
BDBM50454415 CN1C(=O)c2ccc(NC(=O)CSc3nc4cc5ccccc5cc4c(=O)n3-c3ccc(cc3)S(N)(=O)=O)cc2C1=O
BDBM50607950 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50455955 Cc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3c(=O)n2-c2ccc(cc2)S(N)(=O)=O)cc1C
BDBM50611357 CN(C)C(=O)Cc1ccc(C(=O)c2nn([C@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(C)c1C |r|
BDBM50613683 COc1cc2ncnc(NCCOc3ccccc3F)c2cc1OC
BDBM50613848 Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(OC3CCN(CC3)C(=O)C=C)cc12 |r|
BDBM50613861 Fc1c(Cl)cccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(OC3CCN(CC3)C(=O)C=C)cc12 |r|