SMILES for Heat shock protein HSP 90-alpha/90-beta

CC(C)(CC(F)(F)F)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1 |(5.89,.33,;6.49,1.4,;7.12,.35,;7.24,2.75,;8.78,2.77,;9.39,3.84,;10.02,2.79,;9.41,1.71,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-11.34,-4.22,;-9.35,-5.69,;-7.84,-5.37,)|

BDBM50097902

CC(C)(CC(F)(F)F)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(5.89,.33,;6.49,1.4,;7.12,.35,;7.24,2.75,;8.78,2.77,;9.39,3.84,;10.02,2.79,;9.41,1.71,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-9.35,-5.69,;-7.84,-5.37,)|

BDBM50485838

CC(C)(N)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1

BDBM50097907

CC(C)(NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1)C12CC(C1)C2 |(6.8,.01,;7,1.23,;7.95,.45,;5.55,.68,;5.31,-.84,;6.26,-1.62,;3.87,-1.38,;2.61,-.55,;1.4,-1.49,;-.12,-1.2,;-1.12,-2.4,;-2.33,-2.19,;-.59,-3.85,;.94,-4.12,;1.92,-2.93,;3.45,-2.87,;1.47,-5.57,;2.99,-5.84,;3.78,-4.9,;3.51,-7.29,;2.51,-8.47,;2.93,-9.63,;1,-8.19,;.48,-6.75,;-1.04,-6.48,;-2.03,-7.65,;-3.55,-7.38,;-4.54,-8.56,;-6.07,-8.44,;-6.64,-9.86,;-7.84,-10.16,;-5.46,-10.85,;-4.16,-10.04,;7.24,2.75,;6.13,1.66,;5.06,3.02,;6.27,2.44,;6.44,4.11,)|

BDBM50097906

CC(C)(NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C12CC(C1)C2 |(6.8,.01,;7,1.23,;7.95,.45,;5.55,.68,;5.31,-.84,;6.26,-1.62,;3.87,-1.38,;2.61,-.55,;1.4,-1.49,;-.12,-1.2,;-1.12,-2.4,;-2.33,-2.19,;-.59,-3.85,;.94,-4.12,;1.92,-2.93,;3.45,-2.87,;1.47,-5.57,;2.99,-5.84,;3.78,-4.9,;3.51,-7.29,;2.51,-8.47,;2.93,-9.63,;1,-8.19,;.48,-6.75,;-1.04,-6.48,;-2.03,-7.65,;-3.55,-7.38,;-4.54,-8.56,;-6.07,-8.44,;-6.64,-9.86,;-5.46,-10.85,;-4.16,-10.04,;7.24,2.75,;6.13,1.66,;5.06,3.02,;6.27,2.44,;6.44,4.11,)|

BDBM50485867

CC(C)(O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1

BDBM131795

CC(C)C(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1

BDBM50486044

CC(C)C(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1ccc(C(N)=O)c(NCC2CC2)c1 |TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11|

BDBM131810

CC(C)C(N)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O

BDBM131812

CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O

BDBM50455699

CC(C)CN(C)C(=O)c1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM50480570

CC(C)CN1C(=O)CN(Cc2ncc(C)c(Br)c2C)c2nc(N)nc(Cl)c12

BDBM50480569

CC(C)CN1C(=O)CN(Cc2ncc(C)c(Cl)c2C)c2nc(N)nc(Cl)c12

BDBM50485858

CC(C)CN1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1

BDBM50529881

CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

BDBM50485864

CC(C)C[C@H](N)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 |r|

BDBM50485843

CC(C)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1

BDBM32201

CC(C)NCCCC(C)Nc1cc(O)cc2cccnc12

BDBM32220

CC(C)NCCCCCNc1cc(O)cc2cccnc12

BDBM50180302

CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12

BDBM50486035

CC(C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:18:17:13.14:11.10.16,9:10:13.14:17|

BDBM50599509

CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(cc2)C(=O)NCCCCCCCC(=O)NO)c(O)cc1O

BDBM50439621

CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131815

CC(C)c1cc(-c2nn(C(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)C(N)Cc2ccccc2)cc1OC(=O)C(N)Cc1ccccc1

BDBM131813

CC(C)c1cc(-c2nn(C(=O)CN)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)CN)cc1OC(=O)CN

BDBM131811

CC(C)c1cc(-c2nn(COC(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131799

CC(C)c1cc(-c2nnc(NC(=O)C(F)(F)F)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131801

CC(C)c1cc(-c2nnc(NC(=O)C3CCCC3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131800

CC(C)c1cc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131797

CC(C)c1cc(-c2nnc(NC(=O)Cc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131791

CC(C)c1cc(-c2nnc(NC(=O)c3cc(C)on3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131798

CC(C)c1cc(-c2nnc(NC(=O)c3ccc(F)c(F)c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131790

CC(C)c1cc(-c2nnc(NC(=O)c3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131796

CC(C)c1cc(-c2nnc(NC(=O)c3ccco3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131792

CC(C)c1cc(-c2nnc(NC(C)=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131785

CC(C)c1cc(-c2nnc(NCc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131786

CC(C)c1cc(-c2nnc(Nc3ccc4ncccc4c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131787

CC(C)c1cc(-c2nnc(Nc3cccc(N)c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131788

CC(C)c1cc(-c2nnc(Nc3cccc(c3)C(F)(F)F)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131783

CC(C)c1cc(-c2nnc(Nc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM131827

CC(C)c1cc(-c2nnc(O)n2-c2ccc(C)c(c2)S(=O)(=O)N(C)C)c(O)cc1O

BDBM131828

CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)c(c2)S(N)(=O)=O)c(O)cc1O

BDBM131834

CC(C)c1cc(-c2nnc(O)n2-c2ccc(OCCN3CCOCC3)nc2)c(O)cc1O

BDBM131832

CC(C)c1cc(-c2nnc(O)n2-c2ccc(cc2)N(C)S(C)(=O)=O)c(O)cc1O

BDBM131822

CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O

BDBM131820

CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CC(O)=O)c(O)cc1O

BDBM131821

CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CCN(C)C)c(O)cc1O

BDBM131824

CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O

BDBM131833

CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCOCC2)c(O)cc1O

BDBM176682

CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCOCC2)c(O)cc1OP(O)(O)=O

BDBM176680

CC(C)c1cc(-c2nnc(O)n2-c2ccc3CCCc3c2)c(O)cc1OP(O)(O)=O

BDBM176684

CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(C)ccc3c2)c(O)cc1OP(O)(O)=O

BDBM176686

CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(C)ccc3c2)c(O)cc1OP([O-])([O-])=O

BDBM131808

CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(=O)CCNC(=O)OC(C)(C)C)c(O)cc1O

BDBM131807

CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(C)=O)c(O)cc1O

BDBM131826

CC(C)c1cc(-c2nnc(O)n2-c2cccc(c2)S(=O)(=O)N(C)CCN(C)C)c(O)cc1O

BDBM131831

CC(C)c1cc(-c2nnc(O)n2-c2cccc(c2)S(=O)(=O)N2CCOCC2)c(O)cc1O

BDBM131830

CC(C)c1cc(-c2nnc(S)n2-c2cccc(c2)S(N)(=O)=O)c(O)cc1O

BDBM131806

CC(C)c1cc(-c2nnc(SSc3nnc(-c4cc(C(C)C)c(O)cc4O)n3-c3ccc(cc3)N(C)C)n2-c2ccc(cc2)N(C)C)c(O)cc1O

BDBM50569781

CC(C)c1cc(C(=O)N(C)c2ccc3[nH]ccc3c2)c(O)cc1O

BDBM50569783

CC(C)c1cc(C(=O)N(C)c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM50482742

CC(C)c1cc(C(=O)N2CCOCC2)c(O)cc1O

BDBM50005782

CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O

BDBM50482743

CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O

BDBM50482740

CC(C)c1cc(ccc1O)C(=O)N1CCOCC1

BDBM50482756

CC(C)c1cc(ccc1O)C(=O)N1CCc2ccccc2C1

BDBM50482741

CC(C)c1cc(ccc1O)C(=O)N1Cc2ccccc2C1

BDBM50480377

CC(C)c1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:24.25,wD:27.29,(3.45,2.95,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.43,-.12,;-2.35,-2,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)|

BDBM50478951

CC(CCCN)Nc1cc(O)cc2cccnc12

BDBM32202

CC(CCN(C)C)Nc1cc(O)cc2cccnc12

BDBM50097905

CC(F)(F)CC(C)(C)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1 |(10.02,2.79,;8.78,2.77,;9.39,3.84,;9.41,1.71,;7.24,2.75,;6.49,1.4,;5.89,.33,;7.12,.35,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-11.34,-4.22,;-9.35,-5.69,;-7.84,-5.37,)|

BDBM50097904

CC(F)(F)CC(C)(C)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(10.02,2.79,;8.78,2.77,;9.39,3.84,;9.41,1.71,;7.24,2.75,;6.49,1.4,;5.89,.33,;7.12,.35,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-9.35,-5.69,;-7.84,-5.37,)|

BDBM131814

CC(N)C(=O)Oc1cc(OC(=O)C(C)N)c(cc1C(C)C)-c1nn(C(=O)C(C)N)c(=O)n1-c1ccc2n(C)ccc2c1

BDBM50478946

CC(N)CCCCNc1cc(O)cc2cccnc12

BDBM50478954

CC(N)CCCNc1cc(O)cc2cccnc12

BDBM50480386

CC(Nc1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O)S(C)(=O)=O

BDBM50282189

CC.COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@H]2c2ccc(OC)c(OC)c2)cc1 |r,c:10|

BDBM50184276

CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1cccc(O)c1O |c:16|

BDBM50480376

CC1(C)Cc2c(c(CC3CC3)nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(=O)C1 |r,wU:22.23,wD:25.27,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.8,4.02,;5.12,2.51,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)|

BDBM50480402

CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCSCC3)c2)C(F)F)C(=O)C1

BDBM50480387

CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NCCCN3CCCC3=O)c2)C(F)(F)F)C(=O)C1

BDBM50480401

CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,21.22,(6.76,-1.18,;5.24,-.92,;5.77,.53,;3.91,-.15,;2.57,-.92,;2.57,-2.46,;1.11,-2.93,;.2,-1.69,;1.11,-.44,;.63,1.02,;1.66,2.17,;1.19,3.63,;-.32,3.95,;-.8,5.42,;.23,6.56,;-2.3,5.74,;-1.35,2.81,;-2.86,3.13,;-3.89,1.99,;-5.39,2.31,;-6.42,1.16,;-5.95,-.3,;-6.98,-1.45,;-4.44,-.62,;-3.41,.52,;-.88,1.34,;.63,-4.4,;.16,-5.86,;2.1,-4.87,;-.83,-3.92,;3.91,-3.23,;3.91,-4.77,;5.24,-2.46,)|

BDBM50450704

CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.44,2.95,;1.41,3.61,;2.62,3.87,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)|

BDBM50480394

CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(-3.43,-.12,;-2.38,-.77,;-2.35,-2,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;2.24,2.7,;3.45,2.95,;1.42,3.61,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)|

BDBM50455685

CCC(=O)c1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM50478957

CCC(C)(C)NCCCCCNc1cc(OC)cc2cccnc12

BDBM50478952

CCC(C)N(CC(O)CNc1cc(OC)cc2cccnc12)C(C)CC

BDBM32256

CCC(C)NCCNc1cc(OC)cc2cccnc12

BDBM50482548

CCC(C)\C=C\C=C\C=C\C(=O)\C=C(/O)C1=C2C=C(CC(O)CO)\C(=C\NCc3ccccc3)C(=O)[C@]2(C)OC1=O |r,c:15,t:17|

BDBM50482547

CCC(C)\C=C\C=C\C=C\C(=O)\C=C(/O)C1=C2C=C3CC(CO)OC=C3C(=O)[C@]2(C)OC1=O |r,c:15,24,t:17|

BDBM50455696

CCC(C)c1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM40742

CCC(CC)NCCCNc1cc(OC)cc2cccnc12

BDBM50486036

CCC(CC)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:20:19:15.16:13.12.18,11:12:15.16:19|

BDBM50486043

CCC(CC)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(C)=O)c(C)cc1C(N)=O |TLB:20:19:15.16:13.12.18,11:12:15.16:19|

BDBM50486056

CCC(CC)Nc1cc(ccc1C(N)=O)C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)C1CC1 |TLB:26:25:21.22:19.18.24,17:18:21.22:25|

BDBM50486037

CCC(CC)Nc1cc(ccc1C(N)=O)C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(C)=O |TLB:26:25:21.22:19.18.24,17:18:21.22:25|

BDBM50478958

CCC(N)CCNc1cc(O)cc2cccnc12

BDBM50455725

CCC(O)c1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM50485869

CCCC(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1

BDBM131793

CCCC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1

BDBM32258

CCCC(C)N(CC)CCNc1cc(OC)cc2cccnc12

BDBM50480369

CCCCCc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O

BDBM50478959

CCCCN(CCCC)CCNc1cc(OC)cc2cccnc12

BDBM50480370

CCCCNc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O

BDBM50480368

CCCCOc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O

BDBM50455724

CCCCc1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM15374

CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12

BDBM15379

CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc12

BDBM15383

CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)nc(F)nc12

BDBM15378

CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)ncnc12

BDBM15375

CCCCn1c(Cc2ccc(OC)cc2)nc2c(N)ncnc12

BDBM15385

CCCCn1c(Cc2ccc3OCOc3c2)nc2c(N)nc(F)nc12

BDBM15377

CCCCn1c(Cc2ccc3OCOc3c2)nc2c(N)ncnc12

BDBM15376

CCCCn1c(Cc2cccc(OC)c2)nc2c(N)ncnc12

BDBM50165318

CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12

BDBM50165310

CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc12

BDBM50165303

CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc12

BDBM50165271

CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc12

BDBM50165304

CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1

BDBM50165308

CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1Cl

BDBM50165311

CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cccc(OC)c1

BDBM50165269

CCCCn1c(nc2c(N)ncnc12)S(=O)c1cc(OC)c(OC)c(OC)c1

BDBM50165289

CCCCn1c(nc2c(N)ncnc12)S(=O)c1cccc(OC)c1

BDBM50545501

CCCN(CCC)Cc1cc(on1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC

BDBM50150178

CCCN(CCC)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC |w:49.50,27.28,t:40|

BDBM50481171

CCCNC(=O)C1N(Cc2ccccc12)C(=O)c1cc(Cl)c(O)cc1O

BDBM50478953

CCCNCCCC(C)Nc1cc(OC)cc2c(C)ccnc12

BDBM50545508

CCCNCc1cc(on1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC

BDBM50486032

CCCNc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |TLB:18:17:13.14:11.10.16,9:10:13.14:17|

BDBM50455695

CCCc1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM50545489

CCCn1ccc(n1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC

BDBM50569782

CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc2[nH]ccc2c1

BDBM50569779

CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1

BDBM50569780

CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccncc1

BDBM50482759

CCN(CC)C(=O)c1cc(ccc1O)C(C)(C)C

BDBM50482751

CCN(CC)C(=O)c1cc(ccc1O)C(C)C

BDBM50482758

CCN(CC)C(=O)c1ccc(O)c(CC)c1

BDBM50482753

CCN(CC)C(=O)c1ccc(O)c(Cl)c1

BDBM50482752

CCN(CC)C(=O)c1ccc(O)c(OC)c1

BDBM50482750

CCN(CC)C(=O)c1ccc(O)c(c1)C(C)(C)C

BDBM50482749

CCN(CC)C(=O)c1ccc(O)c(c1)C(C)C

BDBM40739

CCN(CC)CCCC(C)Nc1cc(O)cc2cccnc12

BDBM32200

CCN(CC)CCCCCNc1cc(O)cc2cccnc12

BDBM50478949

CCN(CC)CCCCNc1cc(O)cc2cccnc12

BDBM40735

CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12

BDBM40740

CCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12

BDBM50490764

CCN(CC)c1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

BDBM50150161

CCN(Cc1ccccc1)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC |w:52.54,30.32,t:44|

BDBM50182705

CCN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O

BDBM50481167

CCNC(=O)C1N(Cc2ccccc12)C(=O)c1cc(Cl)c(O)cc1O

BDBM194676

CCNC(=O)Sc1nnc(-c2ccc(OC(=O)N(C)C)cc2OC(=O)N(C)C)n1-c1cccc2ccccc12 |(9.23,-1.82,;7.75,-2.22,;6.66,-1.13,;5.17,-1.53,;4.77,-3.02,;4.08,-.44,;2.59,-.84,;2.12,-2.3,;.58,-2.3,;.1,-.84,;-1.23,-.07,;-1.23,1.47,;-2.57,2.24,;-3.9,1.47,;-5.23,2.24,;-6.57,1.47,;-6.57,-.07,;-7.9,2.24,;-7.9,3.78,;-9.23,1.47,;-3.9,-.07,;-2.57,-.84,;-2.57,-2.38,;-3.9,-3.15,;-3.9,-4.69,;-5.23,-2.38,;-5.23,-.84,;-6.57,-3.15,;1.35,.07,;1.35,1.61,;.01,2.38,;.01,3.92,;1.35,4.69,;2.68,3.92,;4.01,4.69,;5.35,3.92,;5.35,2.38,;4.01,1.61,;2.68,2.38,)|

BDBM50481174

CCNC(=O)[C@@H]1N(Cc2ccccc12)C(=O)c1cc(Cl)c(O)cc1O |r|

BDBM50182714

CCNC(=O)c1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O

BDBM50545494

CCNC(=O)c1cc(on1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC

BDBM50460795

CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCCCCn2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)cc1Cl

BDBM50460798

CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCCCn2cc(cn2)-c2ncnc3[nH]ccc23)c(Cl)cc1Cl

BDBM50460800

CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cccc(OCCCCCCn2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM50460793

CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cccc(OCCCCCn2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM50460797

CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cccc(OCCCCn2cc(cn2)-c2ncnc3[nH]ccc23)c1

BDBM50479784

CCNC(=O)c1ccc(C2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c(C)c1

BDBM50486040

CCNC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1ccc(C(N)=O)c(NCC2CC2)c1 |TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11|

BDBM50545520

CCNC(=O)c1noc(c1-c1cc(CC#N)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545511

CCNC(=O)c1noc(c1-c1cc(CF)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545503

CCNC(=O)c1noc(c1-c1cc(CN(C)C)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545502

CCNC(=O)c1noc(c1-c1cc(CN(CC)CC)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545510

CCNC(=O)c1noc(c1-c1cc(CN)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545498

CCNC(=O)c1noc(c1-c1cc(CN2CCCC2)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545499

CCNC(=O)c1noc(c1-c1cc(CN2CCCCC2)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545517

CCNC(=O)c1noc(c1-c1cc(CN2CCN(C)CC2)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545500

CCNC(=O)c1noc(c1-c1cc(CN2CCOCC2)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545497

CCNC(=O)c1noc(c1-c1cc(CN2CCSCC2)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545504

CCNC(=O)c1noc(c1-c1cc(CNC(=O)CC)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545505

CCNC(=O)c1noc(c1-c1cc(CNC(C)=O)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545507

CCNC(=O)c1noc(c1-c1cc(CNC(C)C)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545519

CCNC(=O)c1noc(c1-c1cc(CNC)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545506

CCNC(=O)c1noc(c1-c1cc(CNC=C)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545518

CCNC(=O)c1noc(c1-c1cc(CNCCO)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545513

CCNC(=O)c1noc(c1-c1cc(CO)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545523

CCNC(=O)c1noc(c1-c1cc(COCC(=O)OC)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545512

CCNC(=O)c1noc(c1-c1cc(COCC(N)=O)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545522

CCNC(=O)c1noc(c1-c1cc(COCC(O)=O)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545521

CCNC(=O)c1noc(c1-c1cc(COS(C)(=O)=O)no1)-c1cc(C(C)C)c(O)cc1O

BDBM50545493

CCNC(=O)c1noc(c1-c1cc(no1)C(=O)N1CCOCC1)-c1cc(C(C)C)c(O)cc1O

BDBM50545514

CCNC(=O)c1noc(c1-c1cc(no1)C(=O)N1CCSCC1)-c1cc(C(C)C)c(O)cc1O

BDBM50545495

CCNC(=O)c1noc(c1-c1cc(no1)C(=O)NC)-c1cc(C(C)C)c(O)cc1O

BDBM50545516

CCNC(=O)c1noc(c1-c1cc(no1)C(=O)OCC)-c1cc(C(C)C)c(O)cc1O

BDBM50545496

CCNC(=O)c1noc(c1-c1cc(no1)C(N)=O)-c1cc(C(C)C)c(O)cc1O

BDBM50545515

CCNC(=O)c1noc(c1-c1cc(no1)C(O)=O)-c1cc(C(C)C)c(O)cc1O

BDBM50545492

CCNC(=O)c1noc(c1-c1cc[nH]n1)-c1cc(C(C)C)c(O)cc1O

BDBM20928

CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O

BDBM50604365

CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(C)cc1

BDBM20926

CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O

BDBM50604364

CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1cccc(c1)C(C)C

BDBM20918

CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1

BDBM50604363

CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C

BDBM50545491

CCNC(=O)c1noc(c1-c1ccn(C)n1)-c1cc(C(C)C)c(O)cc1O

BDBM50545490

CCNC(=O)c1noc(c1-c1ccn(CC)n1)-c1cc(C(C)C)c(O)cc1O

BDBM50545488

CCNC(=O)c1noc(c1-c1ccn(n1)C(C)C)-c1cc(C(C)C)c(O)cc1O

BDBM50545487

CCNC(=O)c1noc(c1-c1cn[nH]c1)-c1cc(C(C)C)c(O)cc1O

BDBM50545486

CCNC(=O)c1noc(c1-c1cnn(C)c1)-c1cc(C(C)C)c(O)cc1O

BDBM50545485

CCNC(=O)c1noc(c1-c1cnn(CC)c1)-c1cc(C(C)C)c(O)cc1O

BDBM50545484

CCNC(=O)c1noc(c1-c1cnn(c1)C(C)C)-c1cc(C(C)C)c(O)cc1O

BDBM50182703

CCNC1CCN(CC1)c1c[nH]nc1-c1cc(Br)c(O)cc1O

BDBM50545509

CCNCc1cc(on1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC

BDBM50150158

CCOC(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC |w:38.38,16.16,t:28|

BDBM50559902

CCOc1ccccc1N1CCN(CC1)C(=S)SCCCSc1nc2ccccc2c(=O)n1-c1ccccc1

BDBM50486033

CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |r,TLB:19:18:14.15:12.11.17,10:11:14.15:18|

BDBM50486034

CC[C@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)C2CC2)c(C)cc1C(N)=O |r,TLB:19:18:14.15:12.11.17,10:11:14.15:18|

BDBM50502666

CC[C@H](C)[C@@H](ONC(=O)[C@H](ONC(=O)[C@@H](Cc1ccccc1)ONC(=O)[C@@H](Cc1ccccc1)ONC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)NO[C@H](CC(C)C)C(=O)NO[C@H](CC(C)C)C(N)=O |r|

BDBM50483918

CCc1[nH]c2nc(C)nc(-c3cc(OC)c(Cl)cc3Cl)c2c1C#N

BDBM50182718

CCc1cc(-c2n[nH]c(C)c2-c2cccc3OCCOc23)c(O)cc1O |(4.51,-26.5,;3.36,-27.53,;3.68,-29.03,;5.15,-29.51,;5.47,-31.02,;6.93,-31.49,;7.4,-32.95,;8.94,-32.95,;9.42,-31.49,;10.88,-31.01,;8.17,-30.58,;8.16,-29.04,;6.83,-28.27,;6.83,-26.73,;8.17,-25.96,;9.5,-26.73,;10.82,-25.97,;12.15,-26.74,;12.14,-28.27,;10.81,-29.03,;9.5,-28.26,;4.33,-32.04,;4.65,-33.55,;2.87,-31.58,;2.54,-30.06,;1.07,-29.59,)|

BDBM194670

CCc1cc(-c2nnc(S)n2-c2cccc3ccccc23)c(OC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C |(-1.96,4.55,;-.62,3.78,;-.62,2.24,;.71,1.47,;.71,-.07,;2.04,-.84,;2.52,-2.3,;4.06,-2.3,;4.54,-.84,;5.87,-.07,;3.29,.07,;3.29,1.61,;1.96,2.38,;1.96,3.92,;3.29,4.69,;4.62,3.92,;5.96,4.69,;7.29,3.92,;7.29,2.38,;5.96,1.61,;4.62,2.38,;-.62,-.84,;-.62,-2.38,;-1.96,-3.15,;-1.96,-4.69,;-3.29,-2.38,;-3.29,-.84,;-4.62,-3.15,;-1.96,-1.61,;-1.96,-.07,;-1.96,1.47,;-3.29,2.24,;-4.62,1.47,;-4.62,-.07,;-5.96,2.24,;-5.96,3.78,;-7.29,1.47,;-4.62,3.01,)|

BDBM131803

CCc1cc(-c2nnc(S)n2-c2cccc3ccccc23)c(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 |(-1.34,4.49,;-0,3.72,;-0,2.18,;1.33,1.41,;1.33,-.13,;2.67,-.9,;3.14,-2.37,;4.68,-2.37,;5.16,-.9,;6.49,-.13,;3.91,0,;3.91,1.54,;2.58,2.31,;2.58,3.85,;3.91,4.62,;5.25,3.85,;6.58,4.62,;7.91,3.85,;7.91,2.31,;6.58,1.54,;5.25,2.31,;-0,-.9,;-0,-2.44,;-1.34,-3.21,;-1.34,-4.75,;-2.67,-2.44,;-3.76,-1.35,;-5.25,-1.75,;-5.64,-3.24,;-4.56,-4.33,;-3.07,-3.93,;-1.34,-.13,;-1.34,1.41,;-2.67,2.18,;-4,1.41,;-4,-.13,;-5.34,2.18,;-4.94,3.66,;-6.03,4.75,;-7.51,4.35,;-7.91,2.87,;-6.82,1.78,)|

BDBM50593503

CCc1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O

BDBM50593502

CCc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O

BDBM131782

CCc1nc(-c2nnc(S)n2-c2ccc3n(C)ccc3c2)c(O)cc1O

BDBM50480393

CCc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.24,wD:26.28,(3.45,2.95,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)|

BDBM50455700

CN(C(=O)c1cc2c(CC3CCCC3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1

BDBM50455726

CN(C(=O)c1cc2c(CC3CCCCC3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1

BDBM50455687

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(Br)cc1

BDBM50455730

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(C)cc1

BDBM50455732

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(CN2CCOCC2)cc1

BDBM50455694

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(CNS(C)(=O)=O)cc1

BDBM50455709

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(Cl)cc1

BDBM50455715

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(F)cc1

BDBM50455710

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(OCCCC#N)cc1

BDBM50455714

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)C(C)=O

BDBM50455734

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCN(C)CC1

BDBM50455711

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCNCC1

BDBM50455698

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1

BDBM50455712

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc(cc1)N1CCOCC1=O

BDBM50455717

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2CCN(C(C)=O)c2c1

BDBM50455688

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2N(CCc2c1)C(C)=O

BDBM50455716

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2OCCOc2c1

BDBM50455735

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccc2OCOc2c1

BDBM50455722

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1cccc(C)c1

BDBM50455706

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1cccc(Cl)c1

BDBM50455713

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1cccc(F)c1

BDBM50455729

CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c1ccccc1

BDBM50455723

CN(C(=O)c1cc2c(n[nH]c2cc1O)C(=O)N1CCCC1)c1ccc(cc1)N1CCOCC1

BDBM50455701

CN(C(=O)c1cc2c(n[nH]c2cc1O)C(=O)N1CCCCC1)c1ccc(cc1)N1CCOCC1

BDBM50455736

CN(C(=O)c1cc2c(n[nH]c2cc1O)C(=O)N1CCOCC1)c1ccc(cc1)N1CCOCC1

BDBM50481170

CN(C)C(=O)C1N(Cc2ccccc12)C(=O)c1cc(Cl)c(O)cc1O

BDBM50479783

CN(C)C(=O)c1ccc(C2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c(C)c1

BDBM50526756

CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O

BDBM50526757

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O

BDBM50526773

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1ccc(O)cc1O

BDBM50526774

CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1O

BDBM50526758

CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O

BDBM50526772

CN(C)C(=O)c1ccc(cc1)N(Cc1ncc(Br)s1)C(=O)c1ccc(O)cc1O

BDBM50479785

CN(C)C(=O)c1cccc(C2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c1C

BDBM50485837

CN(C)CC(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1

BDBM50455707

CN(C)CCOCc1ccc(cc1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O

BDBM50490762

CN(C)c1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

BDBM50455731

CN(C)c1ccc(cc1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O

BDBM92422

CN(C)c1ncnc2nc[nH]c12

BDBM50455733

CN(CC1CCCO1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.38,2.85,;4.9,1.39,;5.93,.24,;7.44,.56,;8.07,1.96,;9.6,1.79,;9.91,.29,;8.58,-.48,;3.39,1.08,;2.91,-.38,;2.37,2.23,;.86,1.91,;-.16,3.06,;-1.67,2.75,;-2.81,3.78,;-4.15,3.02,;-3.84,1.51,;-4.87,.37,;-2.3,1.34,;-1.54,.01,;;.76,-1.34,;-.01,-2.67,;-1.55,-2.66,;-2.32,-1.32,;-3.86,-1.32,;.32,4.52,;-.71,5.67,;1.82,4.84,;2.85,3.69,;4.36,4,)|

BDBM50455686

CN(Cc1cccc(C)c1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.38,2.86,;4.9,1.4,;5.93,.25,;7.43,.57,;7.91,2.03,;9.42,2.35,;10.45,1.2,;9.97,-.26,;11,-1.41,;8.46,-.58,;3.39,1.08,;2.91,-.38,;2.37,2.23,;.86,1.91,;-.17,3.06,;-1.68,2.74,;-2.82,3.78,;-4.15,3.01,;-3.84,1.5,;-4.87,.36,;-2.31,1.34,;-1.54,0,;;.77,-1.34,;-.01,-2.67,;-1.55,-2.66,;-2.31,-1.33,;-3.85,-1.32,;.31,4.52,;-.72,5.67,;1.82,4.84,;2.84,3.69,;4.35,4.01,)|

BDBM50455689

CN(Cc1cccc(c1)-c1cccnc1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(29.29,-21.65,;30.44,-20.62,;30.12,-19.12,;28.65,-18.64,;27.52,-19.67,;26.06,-19.2,;25.73,-17.69,;26.88,-16.66,;28.34,-17.13,;26.56,-15.16,;27.7,-14.13,;27.39,-12.63,;25.92,-12.15,;24.77,-13.19,;25.1,-14.69,;31.9,-21.1,;33.05,-20.07,;32.22,-22.61,;33.68,-23.08,;34,-24.59,;35.46,-25.06,;35.94,-26.52,;37.48,-26.52,;37.96,-25.06,;39.42,-24.59,;36.71,-24.15,;36.7,-22.61,;35.37,-21.85,;35.36,-20.31,;36.7,-19.53,;38.04,-20.3,;38.04,-21.84,;39.37,-22.61,;32.87,-25.62,;33.19,-27.12,;31.4,-25.15,;31.08,-23.64,;29.61,-23.16,)|

BDBM50455727

CN(Cc1cccc(c1)-c1cncnc1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(4.96,3.55,;4.67,2.03,;5.84,1.03,;7.3,1.54,;7.58,3.05,;9.03,3.57,;10.2,2.56,;9.92,1.05,;8.46,.54,;11.09,.05,;10.8,-1.47,;11.97,-2.47,;13.43,-1.96,;13.71,-.44,;12.54,.56,;3.22,1.52,;2.94,.01,;2.05,2.52,;.6,2.01,;-.57,3.01,;-2.02,2.5,;-3.29,3.38,;-4.51,2.44,;-4,.99,;-4.88,-.28,;-2.46,1.02,;-1.53,-.2,;;.94,-1.22,;.34,-2.65,;-1.18,-2.84,;-2.12,-1.62,;-3.65,-1.82,;-.29,4.53,;-1.46,5.53,;1.17,5.04,;2.33,4.04,;3.79,4.55,)|

BDBM50455702

CN(Cc1ccccc1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.36,2.9,;4.89,1.43,;5.93,.29,;7.43,.62,;7.9,2.08,;9.41,2.41,;10.44,1.27,;9.97,-.2,;8.47,-.53,;3.39,1.1,;2.92,-.36,;2.35,2.25,;.85,1.92,;-.19,3.06,;-1.69,2.73,;-2.84,3.76,;-4.17,2.99,;-3.85,1.48,;-4.87,.33,;-2.31,1.33,;-1.54,-.01,;;.77,-1.33,;.01,-2.67,;-1.53,-2.67,;-2.31,-1.34,;-3.85,-1.35,;.28,4.53,;-.75,5.67,;1.79,4.85,;2.82,3.71,;4.33,4.04,)|

BDBM50455692

CN(Cc1ccccc1C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.39,2.83,;4.91,1.37,;5.93,.22,;7.44,.53,;7.92,1.99,;9.43,2.3,;10.46,1.15,;9.97,-.31,;8.46,-.62,;7.97,-2.08,;3.4,1.07,;2.91,-.4,;2.38,2.22,;.87,1.91,;-.15,3.06,;-1.66,2.75,;-2.8,3.79,;-4.14,3.03,;-3.83,1.52,;-4.87,.39,;-2.3,1.35,;-1.54,.01,;;.76,-1.34,;-.02,-2.67,;-1.56,-2.66,;-2.32,-1.32,;-3.86,-1.3,;.33,4.52,;-.69,5.68,;1.84,4.83,;2.86,3.68,;4.37,3.99,)|

BDBM50455705

CN(Cc1cccs1)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(5.38,2.85,;4.9,1.39,;5.93,.24,;7.44,.56,;8.07,1.96,;9.6,1.79,;9.91,.29,;8.58,-.48,;3.39,1.08,;2.91,-.38,;2.37,2.23,;.86,1.91,;-.16,3.06,;-1.67,2.75,;-2.81,3.78,;-4.15,3.02,;-3.84,1.51,;-4.87,.37,;-2.3,1.34,;-1.54,.01,;;.76,-1.34,;-.01,-2.67,;-1.55,-2.66,;-2.32,-1.32,;-3.86,-1.32,;.32,4.52,;-.71,5.67,;1.82,4.84,;2.85,3.69,;4.36,4,)|

BDBM50489429

CN1CCC(CC1)Oc1ccc2cc(NC(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1C

BDBM50489430

CN1CCC(CC1)Oc1ccc2cc(NC(=O)Nc3ccc(C)cc3)c(=O)oc2c1C

BDBM50489431

CN1CCC(CC1)Oc1ccc2cc(NC(=O)Nc3ccc(Cl)cc3)c(=O)oc2c1C

BDBM50182717

CN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O

BDBM50485831

CN1CCOc2cc(Br)c(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)cc12

BDBM50485846

CN1CCOc2cc(Sc3nc4c(N)ncnc4n3CCC3CCN(CC3)C=O)c(Br)cc12

BDBM50481176

CNC(=O)C1N(Cc2ccccc12)C(=O)c1cc(Cl)c(O)cc1O

BDBM50604366

CNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(C)cc1

BDBM131784

CNc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1

BDBM50520393

COC(=O)CN(c1ccc(Nc2ccnc(n2)N2CCNCC2)cc1)S(=O)(=O)c1c(C)cc(C)cc1C

BDBM50546253

COC(=O)c1c(C)n[nH]c1-c1ccco1

BDBM50479782

COC(=O)c1ccc(C)c(c1)C1CCCN1C(=O)c1cc(Cl)c(O)cc1O

BDBM50479795

COC(=O)c1ccc(C2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c(C)c1

BDBM50479796

COC(=O)c1cccc(C2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c1C

BDBM131818

COC(CN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O)OC

BDBM50455719

COC1CCCN(C1)C(=O)c1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM50455718

COC1CCN(C1)C(=O)c1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM131794

COCC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1

BDBM50480391

COCC(C)Nc1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O

BDBM50480388

COCC(COC)Nc1cc(ccc1C(N)=O)-n1nc(c2c1CC(C)(C)CC2=O)C(F)(F)F

BDBM131816

COCCC(=O)Oc1nnc(-c2cc(C(C)C)c(OC(=O)CCOC)cc2O)n1-c1ccc2n(C)ccc2c1

BDBM131809

COCCC(=O)n1ccc2cc(ccc12)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O

BDBM131819

COCCN(C)c1ccc(c[n+]1[O-])-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O

BDBM131817

COCCN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O

BDBM50480392

COCCNc1cc(ccc1C(N)=O)-n1c(C)cc2c1CC(C)(C)CC2=O

BDBM131804

COCCOc1ccc(-c2nnc(S)n2-c2cccc3ccccc23)c(O)c1 |(-7.96,1.09,;-6.62,.32,;-5.29,1.09,;-3.96,.32,;-2.62,1.09,;-1.29,.32,;.04,1.09,;1.38,.32,;1.38,-1.22,;2.71,-1.99,;3.19,-3.46,;4.73,-3.46,;5.2,-1.99,;6.54,-1.22,;3.96,-1.09,;3.96,.45,;2.62,1.22,;2.62,2.76,;3.96,3.53,;5.29,2.76,;6.62,3.53,;7.96,2.76,;7.96,1.22,;6.62,.45,;5.29,1.22,;.04,-1.99,;.04,-3.53,;-1.29,-1.22,)|

BDBM50455697

COCc1n[nH]c2cc(O)c(cc12)C(=O)N(C)c1ccc(cc1)N1CCOCC1

BDBM50482293

CO[C@@H]1[C@@H](O)[C@@H](C)[C@H](Oc2ccc3cc(NC(=O)c4c[nH]c5ccccc45)c(=O)oc3c2C)OC1(C)C |r|

BDBM50482292

CO[C@@H]1[C@@H](O)[C@@H](C)[C@H](Oc2ccc3cc(NC(=O)c4ccc(OC)c(c4)-c4cccc(OC)c4)c(=O)oc3c2C)OC1(C)C |r|

BDBM50489432

CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)c4ccc(OC)c(c4)-c4cccc(O)c4)c(=O)oc3c2C)OC1(C)C |r|

BDBM50489426

CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)c4ccc(OC)c(c4)-c4cccc(OC)c4)c(=O)oc3c2C)OC1(C)C |r|

BDBM50489433

CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)c4ccc(OC)c(c4)-c4cccc(OC)c4)c(=O)oc3c2OC)OC1(C)C |r|

BDBM50493010

CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc5ccccc5[nH]4)c(=O)oc3c2C)OC1(C)C |r|

BDBM50493012

CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)c4cc5ccccc5[nH]4)c(=O)oc3c2C)OC1(C)C |r|

BDBM50030868

CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31|

BDBM50185533

CO[C@H]1CC(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)c(NCC=CCNc1c(O)c(OC)c3C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc1c3O)c(O)c2OC |w:16.16,6.6,72.72,48.48,38.39,c:60,t:28|

BDBM50185536

CO[C@H]1CC(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)c(NCCCCCCCCCNc1c(O)c(OC)c3C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc1c3O)c(O)c2OC |w:16.16,6.6,77.77,53.53,c:65,t:28|

BDBM50185535

CO[C@H]1CC(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)c(NCCCCNc1c(O)c(OC)c3C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc1c3O)c(O)c2OC |w:16.16,6.6,72.72,48.48,c:60,t:28|

BDBM50150168

CO[C@H]1CC(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)c2-c1ccccc1 |w:6.6,16.16,t:28|

BDBM50150163

CO[C@H]1CC(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)c2-c1cccs1 |w:6.6,16.16,t:28|

BDBM50150165

CO[C@H]1CC(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)c2NC(=O)C(C)=O |w:6.6,16.16,t:28|

BDBM50150169

CO[C@H]1CC(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)c2NC(=O)NCC=C |w:6.6,16.16,t:28|

BDBM50150160

CO[C@H]1CC(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)c2NC(=O)OCC(C)C |w:6.6,16.16,t:28|

BDBM50150159

CO[C@H]1CC(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)c2NC(=O)OCCCCN1CCOCC1 |w:6.6,16.16,t:28|

BDBM50150179

CO[C@H]1CC(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)c2NC(=O)OCc1ccc(OC(C)=O)cc1 |w:6.6,16.16,t:28|

BDBM50150175

CO[C@H]1CC(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)c2NC(=O)c1ccc(CCl)cc1 |w:6.6,16.16,t:28|

BDBM50150184

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN(C)C)cc1 |w:6.6,16.16,t:28|

BDBM50150177

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN2CCCCC2)cc1 |w:6.6,16.16,t:28|

BDBM50150157

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN2CCN(C)CC2)cc1 |w:6.6,16.16,t:28|

BDBM50150162

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN2CCN(CC2)C2CCCCC2)cc1 |w:6.6,16.16,t:28|

BDBM50150180

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1 |w:6.6,16.16,t:28|

BDBM50150156

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(OC)cc2)cc1 |w:6.6,16.16,t:28|

BDBM50150182

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1 |w:6.6,16.16,t:28|

BDBM50150172

CO[C@H]1CC(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)c2NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 |w:6.6,16.16,t:28|

BDBM50150183

CO[C@H]1CC(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)c2NC(=O)c1ccc(F)cc1 |w:6.6,16.16,t:28|

BDBM50150174

CO[C@H]1CC(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)c2NC(=O)c1ccc(OC)cc1 |w:6.6,16.16,t:28|

BDBM50150173

CO[C@H]1CC(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)c2NC(=O)c1ccc(cc1)[N+]([O-])=O |w:6.6,16.16,t:28|

BDBM50150170

CO[C@H]1CC(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)c2NC(=O)c1cccc(CCl)c1 |w:6.6,16.16,t:28|

BDBM50150166

CO[C@H]1CC(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)c2NC(=O)c1cccc(OC)c1 |w:6.6,16.16,t:28|

BDBM50150181

CO[C@H]1CC(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)c2NC(=O)c1ccccc1 |w:6.6,16.16,t:28|

BDBM50150167

CO[C@H]1CC(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)c2NC(=O)c1ccccc1OC |w:6.6,16.16,t:28|

BDBM50150176

CO[C@H]1CC(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)c2NC(=O)c1ccco1 |w:6.6,16.16,t:28|

BDBM50150164

CO[C@H]1CC(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)c2NC(=O)c1cccs1 |w:6.6,16.16,t:28|

BDBM20732

CO[C@H]1CC(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)c2OC |r,w:16.16,6.6,t:28|

BDBM50008057

CO[C@H]1C[C@H](C)CC2=C(NCC=C)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:7,23,t:15,21,34|

BDBM50005781

CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)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:7,25,t:17,23,36|

BDBM50008059

CO[C@H]1C[C@H](C)CC2=C(OC)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:7,21,t:13,19,32|

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|

BDBM50191364

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)c2NCC(=O)CO |w:16.16,t:28|

BDBM50191367

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)c2[NH2+]CC=C |r,w:16.16,t:28|

BDBM50191366

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)c2[NH2+]C[C@H](O)CO |w:16.16,t:28|

BDBM50191363

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)cc1OCC(=O)N(CC=C)c21 |w:17.16,14.14,t:28|

BDBM50191369

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)cc1oc(=O)n(CC=C)c21 |w:14.14,17.16,t:28|

BDBM50191365

CO[C@H]1C[C@H](C)Cc2c([NH2+]CC=C)c(O)cc3nc(oc23)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O |w:23.25,t:37|

BDBM50191368

CO[C@H]1C[C@H](C)Cc2c([NH3+])c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:19.19,t:31|

BDBM50480564

COc1c(C)cnc(CN2CC(=O)N(C(=O)NCCN3CCOCC3)c3c(Cl)nc(N)nc23)c1C

BDBM50480579

COc1c(C)cnc(CN2CC(=O)N(C(C)C(=O)NCCN(C)C)c3c(Cl)nc(N)nc23)c1C

BDBM50480561

COc1c(C)cnc(CN2CC(=O)N(C(C)C)c3c(Cl)nc(N)nc23)c1C

BDBM50480573

COc1c(C)cnc(CN2CC(=O)N(C)c3c(Cl)nc(N)nc23)c1C

BDBM50480583

COc1c(C)cnc(CN2CC(=O)N(C3CCCC3)c3c(Cl)nc(N)nc23)c1C

BDBM50480580

COc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(C)nc(N)nc23)c1C

BDBM50480562

COc1c(C)cnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc23)c1C

BDBM50480559

COc1c(C)cnc(CN2CC(=O)N(CCCC(C)C)c3c(Cl)nc(N)nc23)c1C

BDBM50480578

COc1c(C)cnc(CN2CC(=O)N(CCCN3CCOCC3)c3c(Cl)nc(N)nc23)c1C

BDBM50480560

COc1c(C)cnc(CN2CC(=O)N(CCN3CCCC3)c3c(Cl)nc(N)nc23)c1C

BDBM50480576

COc1c(C)cnc(CN2CC(=O)Nc3c(Cl)nc(N)nc23)c1C

BDBM50480563

COc1c(C)cnc(CN2CC(OC3CCCC3)=Nc3c(Cl)nc(N)nc23)c1C |c:18|

BDBM50480577

COc1c(C)cnc(CN2CCNc3c(Cl)nc(N)nc23)c1C

BDBM50480575

COc1c(C)cnc(CN2[C@@H](C(C)C)C(=O)N(C(C)C)c3c(Cl)nc(N)nc23)c1C |r|

BDBM50480584

COc1c(C)cnc(CN2[C@@H](C(C)C)C(=O)N(CC(C)C)c3c(Cl)nc(N)nc23)c1C |r|

BDBM50480581

COc1c(C)cnc(CN2[C@@H](C(C)C)C(=O)Nc3c(Cl)nc(N)nc23)c1C |r|

BDBM50480568

COc1c(C)cnc(CN2[C@@H](C)C(=O)N(CC(C)C)c3c(Cl)nc(N)nc23)c1C |r|

BDBM50480572

COc1c(C)cnc(CN2[C@@H](C)C(=O)Nc3c(Cl)nc(N)nc23)c1C |r|

BDBM50480567

COc1c(C)cnc(CN2[C@@H](CC(C)C)C(=O)Nc3c(Cl)nc(N)nc23)c1C |r|

BDBM50480565

COc1c(C)cnc(CN2[C@@H](CCO)C(=O)Nc3c(Cl)nc(N)nc23)c1C |r|

BDBM50480566

COc1c(C)cnc(CN2[C@H](C)C(=O)Nc3c(Cl)nc(N)nc23)c1C |r|

BDBM50480558

COc1c(C)cnc(Cn2c3nc(N)nc(Cl)c3[nH]c(=O)c2=O)c1C

BDBM50480557

COc1c(C)cnc(Cn2c3nc(N)nc(Cl)c3ncc2=O)c1C

BDBM50602693

COc1c(C)cnc(Cn2cc(C#CCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c3c(Cl)nc(N)nc23)c1C

BDBM20800

COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C

BDBM50165267

COc1c(Cl)c(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)c(OC)c1OC

BDBM15381

COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC

BDBM50165270

COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc(OC)c1OC

BDBM15380

COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC

BDBM50165297

COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)cc(OC)c1OC

BDBM50165283

COc1cc(Cc2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC

BDBM50483921

COc1cc(Cl)ccc1-c1cc(C)nc(N)n1

BDBM50478956

COc1cc(NC(C)CCCN)c2ncccc2c1Oc1ccc(Cl)cc1

BDBM40743

COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1

BDBM40736

COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC

BDBM32008

COc1cc(NCCCC(C)N)c2ncccc2c1

BDBM40738

COc1cc(NCCCCN)c2ncccc2c1

BDBM50478955

COc1cc(NCCCN(C(C)C)C(C)C)c2nc(OC)cc(Cl)c2c1

BDBM50478950

COc1cc(NCCN(C(C)C)C(C)C)c2ncccc2c1

BDBM32255

COc1cc(NCCN(CC(C)C)CC(C)C)c2ncccc2c1

BDBM50480372

COc1cc(Nc2cc(ccc2C(N)=O)-n2c(C)cc3c2CC(C)(C)CC3=O)cc(OC)c1OC

BDBM50480374

COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CC(C)(C)CC3=O)cc(OC)c1OC

BDBM50480380

COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CCCC3=O)cc(OC)c1OC

BDBM50480373

COc1cc(Nc2cc(ccc2C(N)=O)-n2ccc3c2CC(C)(C)CC3=O)cc(OC)c1OC

BDBM50479314

COc1cc(O)ccc1S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(-5.96,-27.95,;-5.96,-26.41,;-7.29,-25.64,;-8.64,-26.42,;-9.97,-25.64,;-11.31,-26.41,;-9.97,-24.1,;-8.64,-23.33,;-7.3,-24.09,;-5.97,-23.31,;-5.19,-24.64,;-6.75,-21.98,;-4.65,-22.53,;-3.31,-23.29,;-3.29,-24.83,;-1.95,-25.58,;-.62,-24.8,;.72,-25.55,;-.65,-23.25,;-1.99,-22.5,;.67,-22.46,;.65,-20.93,;-.7,-20.18,;1.96,-20.13,;3.32,-20.89,;3.34,-22.43,;4.67,-23.17,;4.7,-24.7,;3.38,-25.5,;2.04,-24.75,;2.02,-23.21,)|

BDBM50165281

COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC

BDBM50165273

COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)cc(OC)c1OC

BDBM50165264

COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC

BDBM50165288

COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)cc(OC)c1OC

BDBM50165290

COc1cc(Sc2nc3c(N)nc(N)nc3n2CCCC#C)cc(OC)c1OC

BDBM50165293

COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC

BDBM50165292

COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(I)c(OC)c1OC

BDBM50165299

COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)cc(OC)c1OC

BDBM50165313

COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)cc1Cl

BDBM50165301

COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC

BDBM50520390

COc1cc(c(C)cc1C)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCCC2)cc1

BDBM50483915

COc1cc(c(Cl)cc1Cl)-c1cc(C)nc(N)n1

BDBM50482754

COc1cc(c(Cl)cc1Cl)-c1cc(Cl)nc(N)n1

BDBM50483917

COc1cc(c(Cl)cc1Cl)-c1nc(C)nc2[nH]c(C)c(C#N)c12

BDBM50483920

COc1cc(c(Cl)cc1Cl)-c1nc(C)nc2[nH]cc(C#N)c12

BDBM50483916

COc1cc(c(Cl)cc1Cl)-c1nc(C)nc2[nH]cc(Cl)c12

BDBM50165280

COc1cc(cc(OC)c1OC)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C

BDBM50165317

COc1cc(cc(OC)c1OC)S(=O)(=O)c1nc2c(N)ncnc2n1CCOC(C)C

BDBM50165305

COc1cc(cc(OC)c1OC)S(=O)c1nc2c(N)ncnc2n1CCOC(C)C

BDBM32185

COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O |c:13|

BDBM50442881

COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|

BDBM50165274

COc1ccc(Br)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50455703

COc1ccc(CN(C)C(=O)c2cc(-c3n[nH]c(=O)n3-c3ccccc3C)c(O)cc2O)cc1 |(12.98,-.44,;11.95,-1.58,;10.44,-1.26,;9.97,.21,;8.47,.53,;7.43,-.61,;5.93,-.29,;4.89,-1.43,;5.36,-2.89,;3.39,-1.1,;2.92,.36,;2.35,-2.24,;.85,-1.92,;-.19,-3.06,;-1.69,-2.74,;-2.84,-3.76,;-4.17,-2.99,;-3.85,-1.48,;-4.87,-.34,;-2.31,-1.33,;-1.54,0,;;.77,1.33,;.01,2.67,;-1.53,2.67,;-2.31,1.34,;-3.85,1.35,;.29,-4.53,;-.75,-5.67,;1.79,-4.85,;2.82,-3.71,;4.33,-4.03,;7.9,-2.08,;9.41,-2.4,)|

BDBM50165276

COc1ccc(Cl)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50482747

COc1ccc(Cl)c(c1)-c1cc(Cl)nc(N)n1

BDBM20745

COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50480395

COc1ccc(Nc2cc(ccc2C(N)=O)-n2c(C)cc3c2CC(C)(C)CC3=O)cc1

BDBM50479316

COc1ccc(O)c(O)c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N |(18.33,3.57,;18.35,2.03,;19.7,1.29,;21.02,2.08,;22.37,1.33,;22.39,-.21,;23.74,-.96,;21.07,-1,;21.09,-2.54,;19.72,-.25,;18.41,-1.03,;17.07,-.29,;15.75,-1.07,;14.41,-.32,;13.09,-1.1,;13.87,-2.43,;12.31,.23,;11.76,-1.87,;10.42,-1.11,;9.09,-1.88,;7.76,-1.11,;9.09,-3.43,;10.42,-4.2,;11.76,-3.43,;13.1,-4.19,;15.76,-2.61,;17.1,-3.37,;18.43,-2.58,;19.77,-3.34,)|

BDBM50184282

COc1ccc(O)c(c1)-c1c[nH]nc1-c1cccs1

BDBM15384

COc1ccc(OC)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c1

BDBM15382

COc1ccc(OC)c(Cc2nc3nc(F)nc(N)c3[nH]2)c1

BDBM50165279

COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM40744

COc1ccc(Oc2c(OC)cc(NCCCCCNC(C)C)c3ncccc23)cc1

BDBM50165309

COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(OC)c1

BDBM50165302

COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)cc1

BDBM50482748

COc1ccc(c(Cl)c1)-c1cc(Cl)nc(N)n1

BDBM50479311

COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(N)c(c1)-c1c(O)ccc2ccccc12 |(-11.15,-50.33,;-9.81,-51.1,;-8.48,-50.33,;-8.48,-48.78,;-7.15,-48.01,;-5.81,-48.78,;-5.8,-50.33,;-4.47,-51.1,;-4.47,-52.64,;-7.15,-51.1,;-4.48,-48,;-3.7,-49.33,;-5.26,-46.67,;-3.16,-47.22,;-1.82,-47.97,;-1.8,-49.51,;-.46,-50.27,;.87,-49.49,;2.21,-50.24,;.84,-47.94,;-.5,-47.19,;2.16,-47.15,;2.14,-45.61,;.79,-44.87,;3.45,-44.82,;4.81,-45.57,;4.83,-47.11,;6.16,-47.86,;6.19,-49.39,;4.87,-50.18,;3.53,-49.43,;3.51,-47.9,)|

BDBM50479318

COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(11.85,-12.8,;13.18,-13.58,;14.52,-12.81,;14.52,-11.26,;15.84,-10.49,;17.19,-11.25,;17.19,-12.81,;18.53,-13.57,;18.53,-15.12,;15.85,-13.58,;18.52,-10.48,;19.3,-11.81,;17.74,-9.15,;19.84,-9.7,;21.18,-10.45,;21.19,-11.99,;22.53,-12.75,;23.86,-11.96,;25.2,-12.72,;23.84,-10.41,;22.5,-9.67,;25.15,-9.63,;25.13,-8.09,;23.78,-7.34,;26.45,-7.3,;27.8,-8.05,;27.82,-9.59,;29.16,-10.33,;29.18,-11.86,;27.86,-12.66,;26.52,-11.91,;26.5,-10.38,)|

BDBM50490756

COc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

BDBM50479502

COc1ccc(cc1)C(=O)NC1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:12|

BDBM50479478

COc1ccc(cc1)C1=C(NC(=O)C2CCCCC2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479494

COc1ccc(cc1)C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479498

COc1ccc(cc1)C1=C(NC(=O)c2ccc(OC)c(c2)-c2cccc(OC)c2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479497

COc1ccc(cc1)C1=C(NC(=O)c2ccc3ccccc3c2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479493

COc1ccc(cc1)C1=C(NC(=O)c2cccc(Cl)c2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479495

COc1ccc(cc1)C1=C(NC(=O)c2cccc(OC)c2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479496

COc1ccc(cc1)C1=C(NC(=O)c2cccc3ccccc23)C(=O)c2ccccc2C1=O |c:9|

BDBM50479482

COc1ccc(cc1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479492

COc1ccc(cc1)C1=C(NC(=O)c2ccccc2Cl)C(=O)c2ccccc2C1=O |c:9|

BDBM50479508

COc1ccc(cc1)C1=C(NC(=O)c2ccccc2OC)C(=O)c2ccccc2C1=O |c:9|

BDBM50479486

COc1ccc(cc1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:9|

BDBM50455708

COc1ccc(cc1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O

BDBM50489428

COc1ccc(cc1-c1cccc(O)c1)C(=O)Nc1cc2ccc(OC3CCN(C)CC3)c(C)c2oc1=O

BDBM50455693

COc1ccc(cc1Cl)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O

BDBM50490757

COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

BDBM50486060

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)NCc2ccc(cc2)N2CCN(C)CC2)c1C |TLB:9:10:13.14:17,18:17:13.14:11.10.16|

BDBM50486055

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)NCc2ccccc2)c1C |TLB:9:10:13.14:17,18:17:13.14:11.10.16|

BDBM50486059

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)N[C@@H](C)c2ccc(cc2)N2CCN(C)CC2)c1C |r,TLB:9:10:13.14:17,18:17:13.14:11.10.16|

BDBM50486049

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)N[C@@H](C)c2ccccc2)c1C |r,TLB:9:10:13.14:17,18:17:13.14:11.10.16|

BDBM50486050

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)N[C@H](C)c2ccccc2)c1C |r,TLB:9:10:13.14:17,18:17:13.14:11.10.16|

BDBM50486051

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(N)=O)c1C |TLB:9:10:13.14:17,18:17:13.14:11.10.16|

BDBM50455691

COc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)c2ccc(cc2)N2CCOCC2)c1

BDBM50482745

COc1cccc(Cl)c1-c1cc(Cl)nc(N)n1

BDBM131789

COc1cccc(Nc2nnc(-c3cc(C(C)C)c(O)cc3O)n2-c2ccc3n(C)ccc3c2)c1

BDBM50482757

COc1cccc(OC)c1-c1cc(Cl)nc(N)n1

BDBM50165291

COc1cccc(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50165312

COc1cccc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c1

BDBM50479491

COc1cccc(c1)-c1cc(ccc1OC)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O |c:21|

BDBM50503326

COc1cccc(c1)-c1cc(ccc1OC)C(=O)Nc1cc2cc(OC)c(OC(C)=O)c(C)c2oc1=O

BDBM50489427

COc1cccc(c1)-c1cc(ccc1OC)C(=O)Nc1cc2ccc(OC3CCN(C)CC3)c(C)c2oc1=O

BDBM50490754

COc1cccc(c1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

BDBM50184280

COc1cccc(c1)C(=O)Nc1ccc(O)c(C)c1

BDBM50479481

COc1cccc(c1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479485

COc1cccc(c1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:9|

BDBM50455728

COc1cccc(c1)N(C)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O

BDBM50165275

COc1cccc(c1)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C

BDBM50165296

COc1cccc(c1)S(=O)(=O)c1nc2c(N)ncnc2n1CCOC(C)C

BDBM50165306

COc1cccc(c1)S(=O)c1nc2c(N)ncnc2n1CCCC#C

BDBM50165284

COc1cccc(c1)S(=O)c1nc2c(N)ncnc2n1CCOC(C)C

BDBM50490761

COc1cccc(c1O)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

BDBM50343361

COc1ccccc1-c1cc(C)nc(N)n1

BDBM50343360

COc1ccccc1-c1cc(Cl)nc(N)n1

BDBM50490760

COc1ccccc1-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1

BDBM50479504

COc1ccccc1C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|

BDBM50479501

COc1ccccc1C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:9|

BDBM50479781

COc1ccccc1C1CCCN1C(=O)c1ccc(O)cc1O

BDBM50455704

COc1ccccc1CN(C)C(=O)c1cc(-c2n[nH]c(=O)n2-c2ccccc2C)c(O)cc1O |(9,-3.22,;7.98,-2.07,;8.46,-.6,;9.97,-.29,;10.45,1.17,;9.43,2.32,;7.92,2.01,;7.44,.55,;5.93,.23,;4.9,1.38,;5.39,2.85,;3.4,1.07,;2.91,-.39,;2.37,2.22,;.86,1.91,;-.16,3.06,;-1.67,2.75,;-2.81,3.79,;-4.14,3.02,;-3.83,1.52,;-4.87,.38,;-2.3,1.35,;-1.54,.01,;;.76,-1.34,;-.01,-2.67,;-1.55,-2.66,;-2.32,-1.32,;-3.86,-1.31,;.32,4.52,;-.7,5.67,;1.83,4.84,;2.86,3.69,;4.36,4,)|

BDBM50165266

COc1ccccc1Sc1nc2c(N)ncnc2n1CCCC#C

BDBM50480571

COc1ccnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc23)c1OC

BDBM50480582

COc1nc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc23)c(Cl)c(OC)c1OC

BDBM50480574

COc1nc(N)nc2N(Cc3ncc(C)c(OC)c3C)CC(=O)N(CC(C)C)c12

BDBM50490763

CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2ccc(O)cc2)c(C#N)c(N)n1

BDBM50490759

CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2cccc(F)c2)c(C#N)c(N)n1

BDBM50490755

CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2ccccc2Br)c(C#N)c(N)n1

BDBM50490758

CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2ccccc2Cl)c(C#N)c(N)n1

BDBM50182707

CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1

BDBM50182709

CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1

BDBM50182712

CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1

BDBM50182713

CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1

BDBM50480379

CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@@H](CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1 |r,wU:26.29,wD:23.22,(1.33,-.46,;1.33,.77,;1.33,2,;.27,.15,;2.4,.15,;6.56,.62,;6.53,1.85,;5.48,2.5,;7.88,1.07,;9.21,1.85,;9.21,3.39,;10.67,3.86,;11.57,2.64,;10.67,1.39,;11.15,-.08,;10.22,-1.3,;10.82,-2.72,;12.34,-2.91,;12.93,-4.34,;14.16,-4.49,;12.19,-5.31,;13.28,-1.69,;14.81,-1.88,;15.74,-.65,;17.27,-.85,;18.2,.38,;17.6,1.8,;16.07,1.99,;15.14,.76,;18.52,3.03,;17.92,4.45,;16.7,4.6,;18.85,5.68,;18.37,6.82,;12.68,-.27,;11.15,5.32,;12.35,5.58,;10.32,6.24,;11.53,6.49,;7.88,4.18,;7.88,5.41,;6.53,3.39,)|

BDBM50480396

CSCCNc1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O

BDBM50501314

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM50501312

BDBM50501313

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|

BDBM50501315

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

BDBM50501316

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

BDBM50485847

C[C@@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1 |r|

BDBM50485839

C[C@@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 |r|

BDBM227589

C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9|

BDBM50485849

C[C@H](N)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 |r|

BDBM50486052

C[C@H](NC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1cc(C)c(cc1C)C(N)=O)c1ccc(cc1)N1CCN(C)CC1 |r,TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11|

BDBM50486046

C[C@H](NC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1ccc(C(N)=O)c(NC2CCC2)c1)c1ccc(cc1)N1CCN(C)CC1 |r,TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11|

BDBM50486045

C[C@H](NC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1ccc(C(N)=O)c(NCC2CC2)c1)c1ccc(cc1)N1CCN(C)CC1 |r,TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11|

BDBM50486061

C[C@H](NC(=O)c1ccc(nc1)N1C2CCC1CC(C2)NC(=O)c1ccc(C(N)=O)c(Nc2ccccc2)c1)c1ccc(cc1)N1CCN(C)CC1 |r,TLB:8:11:13.14:18.17.16,THB:19:17:13.14:11|

BDBM50480384

C[C@H](Nc1cc(ccc1C(N)=O)-n1cc(C)c2c1CC(C)(C)CC2=O)c1ccccc1 |r|

BDBM50485832

C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCOc4cc3Br)nc3c(N)ncnc23)CC1 |r|

BDBM50485857

C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCCc4cc3Br)nc3c(N)ncnc23)CC1 |r|

BDBM50485825

C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1 |r|

BDBM50485845

C[C@H](O)C(=O)N1CCC(CCn2c(Sc3cc4OCOc4cc3Cl)nc3c(N)ncnc23)CC1 |r|

BDBM50529879

C[C@H]1CCc2c(C1)sc1nc(SCCN3CCCC3)n(N)c(=O)c21 |r|

BDBM50182702

Cc1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O

BDBM50480390

Cc1c(C)n(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:23.24,wD:26.28,(2.14,2.41,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)|

BDBM50489435

Cc1c(OCCC2CCCCN2)ccc2cc(NC(=O)Nc3ccc(Cl)cc3)c(=O)oc12

BDBM55151

Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1

BDBM50486058

Cc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(cn2)C(=O)NCc2ccccc2)c(C)cc1C(N)=O |TLB:6:7:10.11:14,15:14:10.11:8.7.13|

BDBM50486042

Cc1cc(C(N)=O)c(NC2CCCC2)cc1C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)C1CC1 |TLB:27:26:22.23:20.19.25,18:19:22.23:26|

BDBM50486041

Cc1cc(C(N)=O)c(NCC2CC2)cc1C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)C1CC1 |TLB:26:25:21.22:19.18.24,17:18:21.22:25|

BDBM50520392

Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC#N)c1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50520389

Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(=O)NO)c1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50520387

Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(O)=O)c1ccc(Nc2ccnc(n2)N2CCCC2)cc1

BDBM50520388

Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(O)=O)c1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50520386

Cc1cc(C)c(c(C)c1)S(=O)(=O)N(Cc1nnn[nH]1)c1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50165319

Cc1cc(C)cc(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50546250

Cc1cc(CNS(=O)(=O)c2ccc(N\C=C3/CCOC3=O)cc2)nc(N)n1

BDBM50486047

Cc1cc(CO)ccc1C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)NCc1ccccc1 |TLB:11:12:15.16:19,20:19:15.16:13.12.18|

BDBM50282190

Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)cc2)no1

BDBM50486053

Cc1cc(ccc1C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)NCc1ccccc1)C(N)=O |TLB:9:10:13.14:17,18:17:13.14:11.10.16|

BDBM50479787

Cc1cc(ccc1C1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CC(F)(F)C1

BDBM50479797

Cc1cc(ccc1C1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CC(F)C1

BDBM50479791

Cc1cc(ccc1C1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CC(O)C1

BDBM50479802

Cc1cc(ccc1C1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CCC(F)(F)C1

BDBM50479786

Cc1cc(ccc1C1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CCC1

BDBM50479804

Cc1cc(ccc1C1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CCCC1

BDBM50479805

Cc1cc(ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CC(F)(F)C1 |r|

BDBM50479789

Cc1cc(ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CCC(F)(F)C1 |r|

BDBM50479788

Cc1cc(ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CC(F)(F)C1 |r|

BDBM50479790

Cc1cc(ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CCC(F)(F)C1 |r|

BDBM81730

Cc1cc(nc(N)n1)-c1ccc(Cl)cc1Cl

BDBM50483919

Cc1cc(nc(N)n1)-c1ccccc1

BDBM50546251

Cc1cc(nc(N)n1)C#Cc1ccccc1N\C=C1/CCOC1=O

BDBM50270588

Cc1cc(nc(N)n1)C(F)(F)F

BDBM50480371

Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc(C(N)=O)c(Nc2ccccc2)c1

BDBM50480398

Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc(C(N)=O)c(Sc2ccccc2)c1

BDBM50480400

Cc1cc2c(CC(C)(C)CC2=O)n1-c1ccc(cc1)C(N)=O

BDBM50165300

Cc1ccc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1

BDBM50165286

Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1

BDBM32151

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(c1)-c1c2OCOc2ccc1O |(9.24,7.7,;9.24,6.16,;10.58,5.39,;10.58,3.85,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,,;7.91,-.77,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,;6.57,-3.08,;7.91,-2.31,;6.57,-4.62,;7.91,-5.39,;9.37,-4.92,;10.26,-6.16,;9.37,-7.4,;7.91,-6.93,;6.57,-7.7,;5.24,-6.93,;5.24,-5.39,;3.91,-4.62,)|

BDBM50479319

Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c2OCOc2ccc1O

BDBM50529878

Cc1cccc(NC(=O)CSc2n[nH]c(n2)-c2ccccc2O)c1C

BDBM50479801

Cc1ccccc1C1CCCN1C(=O)c1cc(Cl)c(O)cc1O

BDBM50479803

Cc1ccccc1C1CCCN1C(=O)c1ccc(O)cc1O

BDBM50479794

Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1O |r|

BDBM50481173

Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O |r|

BDBM50479800

Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(O)cc1O |r|

BDBM50480389

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NCCN2CCOCC2)c1

BDBM50480378

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.35,-2,;-3.43,-.12,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,)|

BDBM50480397

Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(c1)N1CCNCC1

BDBM50236530

Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O

BDBM50563446

Cc1nc(CC(=O)c2ccc(O)c(O)c2O)cs1

BDBM50184278

Cc1nc(N)sc1-c1csc(Nc2ccccn2)n1

BDBM50480382

Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CC=CC2)c1 |c:26|

BDBM50480399

Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CCC2)c1

BDBM50480381

Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NC2CCOCC2)c1

BDBM50480383

Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NCC2CC2)c1

BDBM50480385

Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(NCc2ccco2)c1

BDBM50480375

Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C(N)=O)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:22.23,wD:25.27,(34.41,-41.32,;33.78,-39.91,;32.27,-39.59,;32.11,-38.07,;33.52,-37.43,;33.98,-35.97,;35.49,-35.66,;35.48,-34.11,;36.57,-34.55,;36.52,-36.8,;36.04,-38.26,;37.07,-39.4,;34.54,-38.58,;30.77,-37.3,;29.44,-38.07,;28.11,-37.3,;28.11,-35.76,;26.77,-34.99,;25.44,-35.76,;26.77,-33.45,;29.43,-34.99,;29.43,-33.45,;30.76,-32.67,;30.75,-31.14,;32.09,-30.36,;33.42,-31.13,;34.76,-30.36,;33.42,-32.68,;32.09,-33.44,;30.77,-35.75,)|

BDBM50562335

Cl.CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50562337

Cl.CCCCCc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50562336

Cl.CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50562334

Cl.CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50562338

Cl.CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50562341

Cl.Cc1c2OC(C)(C)Cc2c(C)c(c1C)S(=O)(=O)Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1

BDBM50562333

Cl.O=S(=O)(Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1)c1ccc(cc1)-c1ccccc1

BDBM50562340

Cl.O=S(=O)(Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1)c1ccc2CCCc2c1

BDBM50562339

Cl.O=S(=O)(Nc1ccc(Nc2ccnc(n2)N2CCNCC2)cc1)c1ccc2OCCc2c1

BDBM50479507

ClC1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:1|

BDBM50479488

Clc1ccc(cc1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8|

BDBM50479505

Clc1cccc(c1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8|

BDBM50479500

Clc1ccccc1C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8|

BDBM50282191

Cn1nccc1NS(=O)(=O)c1ccc(NC(=O)CCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccnn2C)cc1

BDBM50485842

Cn1nnnc1N1CCC(CCn2c(Sc3cc4OCOc4cc3Br)nc3c(N)ncnc23)CC1

BDBM50545416

Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1

BDBM50545417

Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1C\C(=C/c2cccnc2)C(=O)\C(C1)=C\c1cccnc1

BDBM50545415

Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1C\C(=C/c2ccncc2)C(=O)\C(C1)=C\c1ccncc1

BDBM185365

NC(=O)C(=N)N1CCCCc2cc(O)cc(O)c2C1=N

BDBM50182701

NC(=O)CN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O

BDBM50486054

NC(=O)c1ccc(cc1)C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)NCc1ccccc1 |TLB:11:12:15.16:19,20:19:15.16:13.12.18|

BDBM50486057

NC(=O)c1ccc(cc1NCC1CC1)C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)C1CC1 |TLB:25:24:20.21:18.17.23,16:17:20.21:24|

BDBM50486039

NC(=O)c1ccc(cc1NCC1CC1)C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)NC1CCCC1 |TLB:25:24:20.21:18.17.23,16:17:20.21:24|

BDBM185368

NC(=O)c1nnc2-c3c(O)cc(O)cc3CC(Br)C(Br)Cn12

BDBM185367

NC(=O)c1nnc2-c3c(O)cc(O)cc3CC(O)C(O)Cn12

BDBM185369

NC(=O)c1nnc2-c3c(O)cc(O)cc3CCCn12

BDBM185366

NC(=O)c1nnc2-c3c(O)cc(O)cc3C\C=C/Cn12 |c:17|

BDBM50485828

NC(CCn1c(Sc2cc3OCOc3cc2Br)nc2c(N)ncnc12)C1CC1

BDBM50247033

NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O

BDBM32219

NCCCCCNc1cc(O)cc2cccnc12

BDBM50478947

NCCCCNc1cc(O)cc2cccnc12

BDBM50550649

NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O |r|

BDBM50478948

NCCCNc1cc(O)cc2cccnc12

BDBM50479312

Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1c(O)ccc2ccccc12 |(23.43,-38.66,;22.08,-37.91,;20.76,-38.69,;19.41,-37.93,;19.4,-36.39,;18.06,-35.64,;16.74,-36.42,;17.52,-37.75,;15.96,-35.09,;15.41,-37.2,;14.06,-36.43,;12.74,-37.2,;11.4,-36.44,;12.74,-38.75,;14.07,-39.52,;15.41,-38.75,;16.75,-39.52,;20.72,-35.61,;22.06,-36.36,;23.38,-35.57,;23.35,-34.03,;22.01,-33.28,;24.67,-33.24,;26.03,-33.99,;26.05,-35.53,;27.38,-36.28,;27.41,-37.81,;26.09,-38.6,;24.75,-37.85,;24.73,-36.32,)|

BDBM50479317

Nc1ccc(NS(=O)(=O)c2ccc(O)cc2O)cc1-c1c(O)ccc2ccccc12 |(24.53,-50.64,;23.19,-49.89,;21.86,-50.68,;20.52,-49.92,;20.5,-48.38,;19.16,-47.62,;17.84,-48.4,;18.62,-49.73,;17.06,-47.07,;16.51,-49.18,;15.17,-48.42,;13.84,-49.19,;13.84,-50.73,;12.5,-51.5,;15.17,-51.51,;16.52,-50.73,;17.85,-51.5,;21.82,-47.59,;23.17,-48.34,;24.48,-47.55,;24.46,-46.02,;23.11,-45.27,;25.77,-45.22,;27.13,-45.98,;27.15,-47.52,;28.49,-48.26,;28.51,-49.79,;27.19,-50.59,;25.85,-49.84,;25.83,-48.3,)|

BDBM50455720

Nc1nc(C(=O)N2Cc3ccc(O)cc3C2)c2ccccc2n1

BDBM50455690

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(O)ccc2n1

BDBM50455721

Nc1nc(C(=O)N2Cc3ccccc3C2)c2ccccc2n1

BDBM50482760

Nc1nc(Cl)cc(n1)-c1cc(OCCN2CCOCC2)c(Cl)cc1Cl

BDBM81731

Nc1nc(Cl)cc(n1)-c1ccc(Cl)cc1Cl

BDBM50482744

Nc1nc(Cl)cc(n1)-c1ccccc1

BDBM50482746

Nc1nc(Cl)cc(n1)-c1ccccc1Cl

BDBM50440379

Nc1nccc(n1)-c1cccnc1

BDBM50485870

Nc1ncnc2n(CCC3CCC(F)(F)CC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485853

Nc1ncnc2n(CCC3CCN(CC#C)CC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485855

Nc1ncnc2n(CCC3CCN(CC(F)(F)F)CC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485840

Nc1ncnc2n(CCC3CCN(CC3)C(=O)C3CC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485859

Nc1ncnc2n(CCC3CCN(CC3)C(=O)C3CCCC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485833

Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCCOc4cc3Br)nc12

BDBM50485851

Nc1ncnc2n(CCC3CCN(CC3)C(=O)CO)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485836

Nc1ncnc2n(CCC3CCN(CC3)C(=O)[C@@H]3CCCN3)c(Sc3cc4OCOc4cc3Br)nc12 |r|

BDBM50485830

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCC(=O)c4cc3Br)nc12

BDBM50485868

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCCc4cc3Br)nc12

BDBM50485863

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4CCOc4cc3Br)nc12

BDBM50485860

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OC(F)(F)Oc4cc3Br)nc12

BDBM50485865

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCOc4cc3Br)nc12

BDBM50485848

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCCc4cc3Br)nc12

BDBM50485856

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485829

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCOc4cc3C#N)nc12

BDBM50485862

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4OCOc4cc3Cl)nc12

BDBM50485834

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4ccoc4cc3Br)nc12

BDBM50485835

Nc1ncnc2n(CCC3CCN(CC3)C=O)c(Sc3cc4occc4cc3Br)nc12

BDBM50485854

Nc1ncnc2n(CCC3CCN(CC4CCCCC4)CC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485844

Nc1ncnc2n(CCC3CCNCC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485826

Nc1ncnc2n(CCC3CCOCC3)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50165315

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)nc12

BDBM50165268

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12

BDBM50165282

Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)ccc3Cl)nc12

BDBM50165265

Nc1ncnc2n(CCCC#C)c(Sc3cc(ccc3Cl)C(F)(F)F)nc12

BDBM50165272

Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50165298

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3)nc12

BDBM50165316

Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3Cl)nc12

BDBM50165307

Nc1ncnc2n(CCCC#C)c(Sc3ccc(cc3)-n3cccc3)nc12

BDBM50165294

Nc1ncnc2n(CCCC#C)c(Sc3ccccc3CO)nc12

BDBM50165295

Nc1ncnc2n(CCCC#C)c(Sc3ccccc3Cl)nc12

BDBM50165278

Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12

BDBM50485866

Nc1ncnc2n(CC[C@@H]3CCCCN3C=O)c(Sc3cc4OCOc4cc3Br)nc12 |r|

BDBM50485827

Nc1ncnc2n(CC[C@H]3CCCCN3C=O)c(Sc3cc4OCOc4cc3Br)nc12 |r|

BDBM50485823

Nc1ncnc2n(CCc3ccccc3Br)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485861

Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50485824

Nc1ncnc2n(CCc3ccccc3F)c(Sc3cc4OCOc4cc3Br)nc12

BDBM50165287

Nc1ncnc2nc(Sc3cc(Cl)c(Cl)cc3Cl)[nH]c12

BDBM50165314

Nc1ncnc2nc(Sc3cc(Cl)ccc3Cl)[nH]c12

BDBM50165285

Nc1ncnc2nc(Sc3cc(ccc3Cl)C(F)(F)F)[nH]c12

BDBM50559899

O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCOCC1

BDBM50479490

O=C(NC1=C(C(=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 |t:3|

BDBM50479489

O=C(NC1=C(C(=O)c2ccccc2C1=O)c1ccc2oc3ccccc3c2c1)c1ccccc1 |t:3|

BDBM50479477

O=C(NC1=C(C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1 |t:3|

BDBM50184279

O=C1CC(Nc2ccc(cc2)N2CCOCC2)C(=O)N1Cc1ccccc1

BDBM50270609

O=C1OCCC1=CNc1ccccc1 |w:6.7|

BDBM50479479

O=C1c2nc3ccccn3c2C(=O)c2ccccc12

BDBM50182719

OC1CCN(CC1)c1c[nH]nc1-c1cc(Br)c(O)cc1O

BDBM50182706

OCc1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O

BDBM50486048

OCc1ccc(cc1)C(=O)NC1CC2CCC(C1)N2c1ccc(cn1)C(=O)NCc1ccccc1 |TLB:10:11:14.15:18,19:18:14.15:12.11.17|

BDBM50184283

Oc1cc(=O)[nH]n1-c1cccc(Cl)c1

BDBM32184

Oc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1

BDBM50479792

Oc1cc(O)c(C(=O)n2cccc2)c(O)c1

BDBM50182716

Oc1cc(O)c(cc1-c1n[nH]cc1N1CCNCC1)-c1ccccc1

BDBM50182711

Oc1cc(O)c(cc1Br)-c1n[nH]cc1N1CCNCC1

BDBM50182700

Oc1cc(O)c(cc1CCc1ccccc1)-c1n[nH]cc1N1CCNCC1

BDBM50182710

Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(CCc2ccccc2)CC1

BDBM20882

Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(Cc2ccccc2)CC1

BDBM50182715

Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCNCC1

BDBM50182699

Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCOCC1

BDBM50481168

Oc1cc(O)c(cc1Cl)C(=O)N1Cc2ccccc2C1C(=O)N1CCCC1

BDBM50481172

Oc1cc(O)c(cc1Cl)C(=O)N1Cc2ccccc2C1C(=O)NCC=C

BDBM50481175

Oc1cc(O)c(cc1Cl)C(=O)N1Cc2ccccc2C1C(=O)NCc1ccccc1

BDBM50481169

Oc1cc(O)c(cc1Cl)C(=O)N1Cc2ccccc2[C@@H]1C(=O)N1CCCC1 |r|

BDBM50498031

Oc1cc(O)c2c(CC(=O)C(CCC\C=C\CCNC2=O)C(=O)NCc2ccccc2)c1Cl |t:14|

BDBM50479779

Oc1ccc(C(=O)N2CCC(C2)S(=O)(=O)c2ccccc2)c(O)c1

BDBM50479798

Oc1ccc(C(=O)N2CCCC2)c(O)c1

BDBM50479799

Oc1ccc(C(=O)N2CCCC2c2ccccc2)c(O)c1

BDBM50479780

Oc1ccc(C(=O)N2CCCC2c2ccccc2Cl)c(O)c1

BDBM50479793

Oc1ccc(C(=O)N2CCCC2c2ccccn2)c(O)c1

BDBM227591

Oc1ccc(C(=O)N2Cc3ccccc3C2)c(O)c1

BDBM50479778

Oc1ccc(C(=O)n2cccc2)c(O)c1

BDBM15408

Oc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-.43,7.53,;.9,8.3,;2.23,7.53,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-3.1,10.61,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|

BDBM50479310

Oc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1c2OCOc2ccc1O |(1.06,-17.19,;-.28,-16.44,;-1.61,-17.23,;-2.95,-16.47,;-2.96,-14.93,;-4.3,-14.17,;-5.63,-14.95,;-4.85,-16.28,;-6.4,-13.62,;-6.96,-15.73,;-8.3,-14.97,;-9.62,-15.74,;-10.96,-14.97,;-9.63,-17.28,;-8.29,-18.06,;-6.95,-17.28,;-5.62,-18.05,;-1.65,-14.14,;-.3,-14.89,;1.01,-14.1,;2.37,-14.86,;2.71,-16.36,;4.24,-16.49,;4.84,-15.07,;3.68,-14.07,;3.66,-12.53,;2.3,-11.78,;.99,-12.57,;-.36,-11.82,)|

BDBM15402

Oc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-1.77,9.84,;-.43,10.61,;.9,9.84,;.9,8.3,;-.43,7.53,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|

BDBM50479315

Oc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1-c1c(O)ccc2ccccc12 |(.85,-14,;-.5,-13.25,;-1.82,-14.03,;-3.16,-13.27,;-3.18,-11.73,;-4.52,-10.98,;-5.84,-11.76,;-5.06,-13.09,;-6.62,-10.43,;-7.17,-12.54,;-8.51,-11.77,;-9.84,-12.55,;-9.84,-14.09,;-8.51,-14.86,;-7.16,-14.09,;-5.83,-14.86,;-4.49,-15.63,;-1.86,-10.95,;-.52,-11.7,;.8,-10.91,;.77,-9.38,;-.57,-8.63,;2.09,-8.58,;3.44,-9.33,;3.47,-10.88,;4.8,-11.62,;4.83,-13.15,;3.51,-13.94,;2.17,-13.19,;2.15,-11.66,)|

BDBM50479313

Oc1ccc(c(O)c1)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(8.96,-27.58,;10.3,-26.81,;10.3,-25.26,;11.63,-24.49,;12.97,-25.25,;12.97,-26.81,;14.31,-27.58,;11.63,-27.58,;14.3,-24.48,;15.08,-25.81,;13.52,-23.15,;15.62,-23.7,;16.96,-24.45,;16.98,-25.99,;18.32,-26.75,;19.65,-25.96,;20.99,-26.72,;19.62,-24.41,;18.28,-23.66,;20.94,-23.63,;20.92,-22.09,;19.57,-21.34,;22.23,-21.3,;23.59,-22.05,;23.61,-23.59,;24.95,-24.33,;24.97,-25.86,;23.65,-26.66,;22.31,-25.91,;22.29,-24.38,)|

BDBM32195

Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,5.39,;11.91,7.7,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)|

BDBM32194

Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,6.93,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)|

BDBM50479309

Oc1ccc2OCOc2c1-c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1

BDBM50479308

Oc1ccc2OCOc2c1-c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1

BDBM50184281

Oc1ccc2c(occ(Oc3ccc(F)cc3)c2=O)c1O

BDBM32168

Oc1ccccc1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O

BDBM50489434

[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-c1ccc2cc(-[#7]-[#6](=O)-c3ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3)c(=O)oc2c1-[#6]

BDBM50493009

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8]-[#6])c(-[#7]-[#6](=O)-c4ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

BDBM50489425

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3cc(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

BDBM50226181

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

BDBM50493011

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8]-[#6])c(-[#7]-[#6](=O)-c4ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

BDBM50493008

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3cc(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

BDBM50366237

[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8][C@@]45[#6@H]6-[#6]-[#6@@H](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](=O)[C@]5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |r,c:22,33,TLB:22:21:18:42.43,THB:33:32:18:42.43,43:19:23.22:34.32|

BDBM50477802

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occ(-c3ccc4-[#8]-[#6]-[#8]-c4c3)c(=O)c2c1-[#8]

BDBM50543914

[H][C@@]1(O[C@@H]2[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC3=CC(=O)C(NCC=C)=C(C[C@@H](C)C[C@@H]2OC)C3=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,c:6,17,19,t:25,33|

BDBM50217542

[H][C@@]12C[C@@H](CC#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] |c:9,22,33,35,t:41|

BDBM50217540

[H][C@@]12C[C@@H](CCCCNC3=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] |c:9,22,33,35,t:41|

BDBM50217539

[H][C@@]12C[C@@H](CCCNC3=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] |c:8,21,32,34,t:40|

BDBM50217541

[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] |c:9,22,33,35,t:41|