SMILES for Serine-protein kinase ATM

CCOc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(5.81,5.9,;5.41,4.41,;3.92,4.02,;3.52,2.53,;4.61,1.44,;4.21,-.05,;2.72,-.45,;1.64,.64,;.15,.24,;2.03,2.13,;2.33,-1.93,;.86,-2.41,;.86,-3.95,;-.47,-4.72,;-1.81,-3.95,;-1.81,-2.41,;-3.14,-1.64,;-3.14,-.1,;-4.47,.67,;-5.81,-.1,;-1.81,.67,;-.47,-.1,;-.47,-1.64,;-1.81,2.21,;-.56,3.12,;-1.04,4.58,;-2.58,4.58,;-3.35,5.91,;-3.05,3.12,;2.33,-4.43,;2.72,-5.91,;3.23,-3.18,;4.77,-3.18,)|

BDBM50341746

CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM418490

CCc1cncc(C)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418497

CCc1cncc(C)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-5.38,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418531

CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nn2)n(C)c1=O |(6.14,-.98,;4.65,-1.38,;3.88,-.05,;4.28,1.44,;3.19,2.53,;1.7,2.13,;1.3,.64,;-.18,.24,;2.39,-.45,;1.99,-1.93,;.53,-2.41,;.53,-3.95,;-.8,-4.72,;-2.14,-3.95,;-2.14,-2.41,;-3.47,-1.64,;-3.47,-.1,;-4.8,.67,;-6.14,-.1,;-2.14,.67,;-.8,-.1,;-.8,-1.64,;-2.14,2.21,;-.89,3.12,;-1.37,4.58,;-.6,5.91,;-2.91,4.58,;-3.38,3.12,;1.99,-4.43,;2.39,-5.91,;2.9,-3.18,;4.44,-3.18,)|

BDBM418530

CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn[nH]n2)n(C)c1=O |(6.14,-.32,;4.65,-.71,;3.88,.62,;4.28,2.11,;3.19,3.2,;1.7,2.8,;1.3,1.31,;-.18,.91,;2.39,.22,;1.99,-1.27,;.53,-1.74,;.53,-3.28,;-.8,-4.05,;-2.14,-3.28,;-2.14,-1.74,;-3.47,-.97,;-3.47,.57,;-4.8,1.34,;-6.14,.57,;-2.14,1.34,;-.8,.57,;-.8,-.97,;-2.14,2.88,;-.89,3.78,;-1.37,5.25,;-2.91,5.25,;-3.38,3.78,;1.99,-3.76,;2.39,-5.25,;2.9,-2.51,;4.44,-2.51,)|

BDBM418444

CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418517

CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)n2)n(C)c1=O |(6.14,-.98,;4.65,-1.38,;3.88,-.05,;4.28,1.44,;3.19,2.53,;1.7,2.13,;1.3,.64,;-.18,.24,;2.39,-.45,;1.99,-1.93,;.53,-2.41,;.53,-3.95,;-.8,-4.72,;-2.14,-3.95,;-2.14,-2.41,;-3.47,-1.64,;-3.47,-.1,;-4.8,.67,;-6.14,-.1,;-2.14,.67,;-.8,-.1,;-.8,-1.64,;-2.14,2.21,;-.89,3.12,;-1.37,4.58,;-2.91,4.58,;-3.68,5.91,;-3.38,3.12,;1.99,-4.43,;2.39,-5.91,;2.9,-3.18,;4.44,-3.18,)|

BDBM418457

CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O |(6.3,-1.41,;4.81,-1.8,;3.72,-.71,;4.12,.77,;3.03,1.86,;1.54,1.46,;1.14,-.02,;-.34,-.42,;2.23,-1.11,;1.84,-2.6,;.37,-3.08,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,;-2.3,0,;-.96,-.77,;-.96,-2.31,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-3.07,3.91,;-3.84,5.25,;-3.07,6.58,;-3.54,2.45,;1.84,-5.09,;2.23,-6.58,;2.74,-3.85,;4.28,-3.85,)|

BDBM418561

CCc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418562

CCc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O |(6.3,-1.41,;4.81,-1.8,;3.72,-.71,;4.12,.77,;3.03,1.86,;1.54,1.46,;1.14,-.02,;2.23,-1.11,;1.84,-2.6,;.37,-3.08,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,;-2.3,0,;-.96,-.77,;-.96,-2.31,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-3.07,3.91,;-3.84,5.25,;-3.07,6.58,;-3.54,2.45,;1.84,-5.09,;2.23,-6.58,;2.74,-3.85,;4.28,-3.85,)|

BDBM50594889

CCc1ncc(s1)S(=O)(=O)Nc1cc(cnc1OCCCN(C)C)-c1ccc2ncc3N(C)C(=O)C4(CCC4)c3c2c1

BDBM418547

CCn1cc(c(C)n1)-c1cc2c3n(-c4c(F)cncc4OC)c(=O)n(C)c3cnc2cc1OC |(-5.38,5.91,;-3.84,5.91,;-3.07,4.58,;-3.54,3.12,;-2.3,2.21,;-1.05,3.12,;.44,2.72,;-1.53,4.58,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;.37,-2.41,;1.84,-1.93,;2.23,-.45,;1.14,.64,;-.34,.24,;1.54,2.13,;3.03,2.53,;4.12,1.44,;3.72,-.05,;4.81,-1.14,;6.3,-.74,;2.74,-3.18,;4.28,-3.18,;1.84,-4.43,;2.23,-5.91,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,)|

BDBM418540

CCn1cc(c(C)n1)-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(3.8,4.62,;2.71,3.53,;3.11,2.04,;2.14,.84,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.55,1.49,;2.58,-1.93,;1.11,-2.41,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;-1.55,2.21,;-2.8,3.12,;-2.32,4.58,;-3.09,5.91,;-.78,4.58,;-.31,3.12,;1.18,2.72,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,)|

BDBM418535

CCn1cc(c(C)n1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(3.8,4.62,;2.71,3.53,;3.11,2.04,;2.14,.84,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.55,1.49,;2.58,-1.93,;1.11,-2.41,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,)|

BDBM418472

CCn1cc(cn1)-c1cc2c3n(-c4c(C)cncc4F)c(=O)n(C)c3cnc2cc1OC |(-4.63,5.91,;-3.09,5.91,;-2.32,4.58,;-2.8,3.12,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;1.11,-2.41,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;3.48,-3.18,;5.02,-3.18,;2.58,-4.43,;2.98,-5.91,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,)|

BDBM418458

CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4F)c(=O)n(C)c3cnc2cc1OC |(-2.32,6.58,;-3.09,5.25,;-2.32,3.91,;-2.8,2.45,;-1.55,1.54,;-.31,2.45,;-.78,3.91,;-1.55,0,;-.22,-.77,;-.22,-2.31,;1.11,-3.08,;2.58,-2.6,;2.98,-1.11,;4.47,-.71,;5.55,-1.8,;4.86,.77,;3.77,1.86,;2.29,1.46,;1.89,-.02,;.4,-.42,;3.48,-3.85,;5.02,-3.85,;2.58,-5.09,;2.98,-6.58,;1.11,-4.62,;-.22,-5.39,;-1.55,-4.62,;-1.55,-3.08,;-2.89,-2.31,;-2.89,-.77,;-4.22,0,;-5.55,-.77,)|

BDBM418445

CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4OC)c(=O)n(C)c3cnc2cc1OC |(-3.07,6.58,;-3.84,5.25,;-3.07,3.91,;-3.54,2.45,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-2.3,0,;-.96,-.77,;-.96,-2.31,;.37,-3.08,;1.84,-2.6,;2.23,-1.11,;1.14,-.02,;-.34,-.42,;1.54,1.46,;3.03,1.86,;4.12,.77,;3.72,-.71,;4.81,-1.8,;6.3,-1.41,;2.74,-3.85,;4.28,-3.85,;1.84,-5.09,;2.23,-6.58,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,)|

BDBM418498

CCn1cc(cn1)-c1cc2c3n(-c4ccncc4)c(=O)n(C)c3cnc2cc1OC

BDBM418466

CCn1cc(cn1)-c1cc2c3n(-c4ccncc4C)c(=O)n(C)c3cnc2cc1OC |(-4.63,5.91,;-3.09,5.91,;-2.32,4.58,;-2.8,3.12,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;1.11,-2.41,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;3.48,-3.18,;5.02,-3.18,;2.58,-4.43,;2.98,-5.91,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,)|

BDBM418465

CCn1cc(cn1)-c1cc2c3n(-c4ccncc4F)c(=O)n(C)c3cnc2cc1OC |(-2.32,6.58,;-3.09,5.25,;-2.32,3.91,;-2.8,2.45,;-1.55,1.54,;-.31,2.45,;-.78,3.91,;-1.55,0,;-.22,-.77,;-.22,-2.31,;1.11,-3.08,;2.58,-2.6,;2.98,-1.11,;1.89,-.02,;2.29,1.46,;3.77,1.86,;4.86,.77,;4.47,-.71,;5.55,-1.8,;3.48,-3.85,;5.02,-3.85,;2.58,-5.09,;2.98,-6.58,;1.11,-4.62,;-.22,-5.39,;-1.55,-4.62,;-1.55,-3.08,;-2.89,-2.31,;-2.89,-.77,;-4.22,0,;-5.55,-.77,)|

BDBM418509

CCn1cc(cn1)-c1cc2c3n(-c4ccncc4OC)c(=O)n(C)c3cnc2cc1OC |(-3.07,6.58,;-3.84,5.25,;-3.07,3.91,;-3.54,2.45,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-2.3,0,;-.96,-.77,;-.96,-2.31,;.37,-3.08,;1.84,-2.6,;2.23,-1.11,;1.14,-.02,;1.54,1.46,;3.03,1.86,;4.12,.77,;3.72,-.71,;4.81,-1.8,;6.3,-1.41,;2.74,-3.85,;4.28,-3.85,;1.84,-5.09,;2.23,-6.58,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,)|

BDBM418453

CCn1cc(cn1)-c1cc2c3n(-c4cn(C)nc4C)c(=O)n(C)c3cnc2cc1OC |(-2.43,6.58,;-3.2,5.25,;-2.43,3.91,;-2.91,2.45,;-1.66,1.54,;-.42,2.45,;-.89,3.91,;-1.66,0,;-.33,-.77,;-.33,-2.31,;1,-3.08,;2.47,-2.6,;2.87,-1.11,;4.33,-.64,;4.33,.9,;5.66,1.67,;2.87,1.38,;1.96,.13,;.42,.13,;3.37,-3.85,;4.91,-3.85,;2.47,-5.09,;2.87,-6.58,;1,-4.62,;-.33,-5.39,;-1.66,-4.62,;-1.66,-3.08,;-3,-2.31,;-3,-.77,;-4.33,0,;-5.66,-.77,)|

BDBM418516

CCn1cc(cn1)-c1cc2c3n(-c4ncc(OC)cc4F)c(=O)n(C)c3cnc2cc1OC |(-2.38,6.58,;-3.15,5.25,;-2.38,3.91,;-2.85,2.45,;-1.61,1.54,;-.36,2.45,;-.84,3.91,;-1.61,0,;-.27,-.77,;-.27,-2.31,;1.06,-3.08,;2.53,-2.6,;2.92,-1.11,;4.41,-.71,;4.81,.77,;3.72,1.86,;4.12,3.35,;5.61,3.75,;2.23,1.46,;1.84,-.02,;.35,-.42,;3.43,-3.85,;4.97,-3.85,;2.53,-5.09,;2.92,-6.58,;1.06,-4.62,;-.27,-5.39,;-1.61,-4.62,;-1.61,-3.08,;-2.94,-2.31,;-2.94,-.77,;-4.27,0,;-5.61,-.77,)|

BDBM418456

CCn1cc(cn1)-c1cc2c3n(-c4ncccc4F)c(=O)n(C)c3cnc2cc1OC |(-4.37,5.91,;-2.83,5.91,;-2.06,4.58,;-2.53,3.12,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-1.29,.67,;.05,-.1,;.05,-1.64,;1.38,-2.41,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;3.75,-3.18,;5.29,-3.18,;2.84,-4.43,;3.24,-5.91,;1.38,-3.95,;.05,-4.72,;-1.29,-3.95,;-1.29,-2.41,;-2.62,-1.64,;-2.62,-.1,;-3.96,.67,;-5.29,-.1,)|

BDBM50550656

CN(C(C)=O)c1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1

BDBM50341741

CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50341744

CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM626634

CN(C)CCC1CCN(CCS(=O)(=O)c2ccc(cc2)-c2cnc(N)c(n2)C(=O)Nc2ccccc2)CC1

BDBM245520

CN(C)CCCOc1ccc(c(F)n1)-c1cc2c3n([C@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F |r|

BDBM245523

CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n(C4CCC4)c3c2c1

BDBM245494

CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM245524

CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1

BDBM245495

CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCOC4)c3c2c1 |r|

BDBM245522

CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCOC4)c3c2c1 |r|

BDBM245493

CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r|

BDBM245521

CN(C)CCCOc1ccc(c(F)n1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCOC4)c3c2c1 |r|

BDBM245481

CN(C)CCCOc1ccc(cn1)-c1cc2c3n(C4CCOCC4)c(=O)n(C)c3cnc2cc1F

BDBM245482

CN(C)CCCOc1ccc(cn1)-c1cc2c3n(C4COC4)c(=O)n(C)c3cnc2cc1F

BDBM245483

CN(C)CCCOc1ccc(cn1)-c1cc2c3n([C@@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F |r|

BDBM245484

CN(C)CCCOc1ccc(cn1)-c1cc2c3n([C@H]4CCCOC4)c(=O)n(C)c3cnc2cc1F |r|

BDBM245476

CN(C)CCCOc1ccc(cn1)-c1cc2c3n(c(=O)n(C)c3cnc2cc1F)C1(C)CCOCC1

BDBM245486

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3[nH]c(=O)n(C4CCOCC4)c3c2c1

BDBM245518

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCC4)c3c2c1

BDBM245474

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM50378199

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2n1

BDBM245477

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4COC4)c3c2c1

BDBM245489

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCOC4)c3c2c1 |r|

BDBM245516

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCOC4)c3c2c1 |r|

BDBM245478

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@H](O)C4)c3c2c1 |r,wD:25.25,27.28,(-9.98,.47,;-8.65,1.24,;-8.65,2.78,;-7.32,.47,;-5.98,1.24,;-4.65,.47,;-3.32,1.24,;-1.98,.47,;-.65,1.24,;.68,.47,;.68,-1.07,;-.65,-1.84,;-1.98,-1.07,;2.02,-1.84,;2.02,-3.38,;3.35,-4.15,;4.69,-3.38,;6.02,-4.15,;7.35,-3.38,;7.35,-1.84,;8.5,-.81,;9.98,-1.21,;7.87,.6,;8.64,1.93,;6.34,.43,;5.25,1.52,;3.71,1.52,;3.71,3.06,;2.62,4.15,;5.25,3.06,;6.02,-1.07,;4.69,-1.84,;3.35,-1.07,)|

BDBM245490

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r|

BDBM245517

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCOC4)c3c2c1 |r|

BDBM245480

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(c3c2c1)C1(C)CCOCC1

BDBM633152

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3nc(-c4ccccc4)n(C4CCOCC4)c3c2c1

BDBM633151

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3nc(-c4ccco4)n(C4CCOCC4)c3c2c1

BDBM633150

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3nc(C)n(C4CCOCC4)c3c2c1

BDBM633149

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3ncn(C4CCOCC4)c3c2c1

BDBM50577274

CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50378200

CN(C)CCCOc1ccc(cn1)-c1ccc2nnc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM50594890

CN(C)CCCOc1ncc(cc1NS(=O)(=O)C(F)(F)F)-c1ccc2ncc3N(C)C(=O)C4(CCC4)c3c2c1

BDBM50604504

CN(C)CCNC(=O)Nc1ccc(cc1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM50604502

CN(C)CCNC(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM626635

CN(C)CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50604503

CN1CCN(CC1)C(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM50378201

CN1CCN(CCC(=O)Nc2ccc3Sc4c(Sc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1

BDBM50550665

CN1CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1

BDBM626637

CN1CCN(CCS(=O)(=O)c2ccc(cc2)-c2cnc(N)c(n2)C(=O)Nc2ccccc2)CC1

BDBM50550677

CN1CC[C@H](C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50341739

CNC(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50604005

CNC(=O)c1ccc(cc1)-c1cnc2cnc(cn12)-c1ccccc1

BDBM418544

CNC(=O)c1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(5.81,5.9,;5.41,4.41,;3.92,4.02,;2.83,5.1,;3.52,2.53,;4.61,1.44,;4.21,-.05,;2.72,-.45,;1.64,.64,;.15,.24,;2.03,2.13,;2.33,-1.93,;.86,-2.41,;.86,-3.95,;-.47,-4.72,;-1.81,-3.95,;-1.81,-2.41,;-3.14,-1.64,;-3.14,-.1,;-4.47,.67,;-5.81,-.1,;-1.81,.67,;-.47,-.1,;-.47,-1.64,;-1.81,2.21,;-3.05,3.12,;-2.58,4.58,;-3.35,5.91,;-1.04,4.58,;-.56,3.12,;.93,2.72,;2.33,-4.43,;2.72,-5.91,;3.23,-3.18,;4.77,-3.18,)|

BDBM418543

CNC(=O)c1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(5.81,5.9,;5.41,4.41,;3.92,4.02,;2.83,5.1,;3.52,2.53,;4.61,1.44,;4.21,-.05,;2.72,-.45,;1.64,.64,;.15,.24,;2.03,2.13,;2.33,-1.93,;.86,-2.41,;.86,-3.95,;-.47,-4.72,;-1.81,-3.95,;-1.81,-2.41,;-3.14,-1.64,;-3.14,-.1,;-4.47,.67,;-5.81,-.1,;-1.81,.67,;-.47,-.1,;-.47,-1.64,;-1.81,2.21,;-.56,3.12,;-1.04,4.58,;-2.58,4.58,;-3.35,5.91,;-3.05,3.12,;2.33,-4.43,;2.72,-5.91,;3.23,-3.18,;4.77,-3.18,)|

BDBM50535965

CNC(=O)c1cnc2ccc(cc2c1N[C@H](C)c1ccc(Cl)cc1)-c1cccnc1 |r|

BDBM50459013

CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(COC)nc1 |r|

BDBM50459003

CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r|

BDBM50459001

CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCN(C)C)nc1 |r|

BDBM50459010

CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)c1nn(C)cc1C)-c1ccc(OCCCN(C)C)nc1 |r|

BDBM245512

CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM245515

CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCOC4)c3c2c1 |r|

BDBM245514

CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4C[C@@H](C4)OC)c3c2c1 |r,wD:24.24,26.29,(-9.91,.47,;-8.57,1.24,;-7.24,.47,;-5.91,1.24,;-4.57,.47,;-3.24,1.24,;-1.91,.47,;-.57,1.24,;.76,.47,;.76,-1.07,;-.57,-1.84,;-1.91,-1.07,;2.1,-1.84,;2.1,-3.38,;3.43,-4.15,;4.76,-3.38,;6.1,-4.15,;7.43,-3.38,;7.43,-1.84,;8.57,-.81,;9.91,-1.58,;7.95,.6,;8.72,1.93,;6.42,.43,;5.33,1.52,;3.79,1.52,;3.79,3.06,;5.33,3.06,;2.7,4.15,;1.21,3.75,;6.1,-1.07,;4.76,-1.84,;3.43,-1.07,)|

BDBM245513

CNCCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCCOC4)c3c2c1 |r|

BDBM626636

CNCCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM418571

CNCCOc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.75,6.85,;6.35,5.36,;4.86,4.96,;4.47,3.48,;2.98,3.08,;2.58,1.59,;3.67,.5,;3.27,-.99,;1.78,-1.38,;.69,-.3,;-.79,-.69,;1.09,1.19,;1.38,-2.87,;-.08,-3.35,;-.08,-4.89,;-1.42,-5.66,;-2.75,-4.89,;-2.75,-3.35,;-4.08,-2.58,;-4.08,-1.04,;-5.42,-.27,;-6.75,-1.04,;-2.75,-.27,;-1.42,-1.04,;-1.42,-2.58,;-2.75,1.27,;-1.5,2.18,;-1.98,3.64,;-3.52,3.64,;-4.29,4.98,;-3.99,2.18,;1.38,-5.36,;1.78,-6.85,;2.29,-4.12,;3.83,-4.12,)|

BDBM50513176

CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(Cl)c1

BDBM350085

CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C

BDBM420860

CNCc1ccc(cc1Cl)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C

BDBM50468002

CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r|

BDBM103467

CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r|

BDBM245469

COC(=O)N1CCC(CC1)n1c2c(cnc3ccc(cc23)-c2ccc(OC)nc2)n(C)c1=O

BDBM50208542

COC(=O)\C=C\c1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50208497

COC(=O)c1ccc(c(N)c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50208504

COC(=O)c1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50208527

COC(=O)c1ccccc1-c1cc(=O)cc(o1)N1CCOCC1

BDBM50144963

COCCOc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1

BDBM50144997

COCCOc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCOC

BDBM606962

COCCOc1ccc(C[C@H]2CCCCCN2c2nc(cc(=O)[nH]2)N2CCO[C@H](C)C2)cc1 |r|

BDBM606961

COCCOc1cccc(C[C@H]2CCCCCN2c2nc(cc(=O)[nH]2)N2CCO[C@H](C)C2)c1 |r|

BDBM418502

COCCOc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.75,6.85,;6.35,5.36,;4.86,4.96,;4.47,3.48,;2.98,3.08,;2.58,1.59,;3.67,.5,;3.27,-.99,;1.78,-1.38,;.69,-.3,;-.79,-.69,;1.09,1.19,;1.38,-2.87,;-.08,-3.35,;-.08,-4.89,;-1.42,-5.66,;-2.75,-4.89,;-2.75,-3.35,;-4.08,-2.58,;-4.08,-1.04,;-5.42,-.27,;-6.75,-1.04,;-2.75,-.27,;-1.42,-1.04,;-1.42,-2.58,;-2.75,1.27,;-1.5,2.18,;-1.98,3.64,;-3.52,3.64,;-4.29,4.98,;-3.99,2.18,;1.38,-5.36,;1.78,-6.85,;2.29,-4.12,;3.83,-4.12,)|

BDBM633153

COCCn1c(nc2cnc3ccc(cc3c12)-c1ccc(OCCCN(C)C)nc1)-c1ccco1

BDBM50604513

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O

BDBM50604518

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CC(C3)N(C)C)cc2)n(C)c1=O

BDBM50604519

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(C3)N(C)C)cc2)n(C)c1=O

BDBM50604520

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(CC3)N(C)C)cc2)n(C)c1=O

BDBM50604521

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(CC3)NC(=O)OC(C)(C)C)cc2)n(C)c1=O

BDBM50604522

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(N)CC3)cc2)n(C)c1=O

BDBM50604527

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)c(C)c2F)n(C)c1=O

BDBM50604524

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)c(F)c2)n(C)c1=O

BDBM50604526

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)c(F)c2Cl)n(C)c1=O

BDBM50604525

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)c(F)c2F)n(C)c1=O

BDBM50604514

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)cc2)n(C)c1=O

BDBM50604523

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(C)CC3)cc2F)n(C)c1=O

BDBM50604517

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCN(CC3)C(C)C)cc2)n(C)c1=O

BDBM50604512

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC(C)CN(C)C)cc2)n(C)c1=O

BDBM633174

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC(C)CN(C)C)cc2)n(C)c1=O |w:23.25|

BDBM50604508

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCCN(C)C3)cc2)n(C)c1=O

BDBM50604507

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(C)C3)cc2)n(C)c1=O

BDBM50604509

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(C)CC3)cc2)n(C)c1=O

BDBM50604510

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C)cc2)n(C)c1=O

BDBM50604511

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCNCC3)cc2)n(C)c1=O

BDBM50604506

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CN(C)C3)cc2)n(C)c1=O

BDBM50604532

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(C)c2F)n(C)c1=O

BDBM50604529

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O

BDBM50604531

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2Cl)n(C)c1=O

BDBM50604530

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2F)n(C)c1=O

BDBM50604505

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O

BDBM50604528

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O

BDBM50604535

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)(F)C3)cc2)n(C)c1=O

BDBM50604534

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O

BDBM50604533

COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O

BDBM633157

COCCn1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O

BDBM633156

COCCn1cnc2cnc3ccc(cc3c12)-c1ccc(OCCCN(C)C)nc1

BDBM606898

COC[C@@H](C)Oc1ccc(C[C@H]2CCCCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606895

COC[C@@H](C)Oc1ccc(C[C@H]2CCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM50550684

COC[C@@H](C)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM606897

COC[C@@H](C)Oc1cccc(C[C@H]2CCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)c1 |r|

BDBM50550690

COC[C@@H]1c2cc(OC)ccc2Sc2c1cccc2-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550691

COC[C@H]1c2cc(OC)ccc2Sc2c1cccc2-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50535974

COCc1ccc(c(F)n1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|

BDBM50535994

COCc1ccc(c(F)n1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1 |r|

BDBM50535979

COCc1ccc(cn1)-c1cc2c(N[C@@H](C)C3CCOCC3)c(cnc2cc1F)C(N)=O |r|

BDBM50459018

COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O |r|

BDBM50459011

COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3C)c(cnc2cc1F)C(N)=O |r|

BDBM50535995

COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3F)c(cnc2cc1F)C(N)=O |r|

BDBM50378397

COCc1ccc(cn1)-c1cc2c3n(C4CCOCC4)c(=O)n(C)c3cnc2cc1F

BDBM50378191

COCc1ccc(cn1)-c1cc2c3n([C@@H](C)C4CCOCC4)c(=O)n(C)c3cnc2cc1F |r|

BDBM50378195

COCc1ccc(cn1)-c1cc2c3n([C@@H]4C[C@@H](C4)OC)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,16.19,(46.47,-34.32,;47.8,-35.09,;49.14,-34.31,;50.47,-35.08,;51.81,-34.31,;53.14,-35.08,;53.14,-36.62,;51.81,-37.39,;50.48,-36.63,;54.47,-37.39,;55.8,-36.62,;57.14,-37.39,;58.47,-36.61,;58.77,-35.11,;57.73,-33.98,;57.8,-32.45,;56.26,-32.38,;56.2,-33.92,;55.21,-31.25,;55.67,-29.78,;60.3,-34.94,;61.06,-33.59,;60.93,-36.33,;62.44,-36.64,;59.8,-37.37,;59.81,-38.92,;58.48,-39.7,;57.14,-38.93,;55.81,-39.71,;54.47,-38.94,;53.13,-39.71,)|

BDBM50378193

COCc1ccc(cn1)-c1cc2c3n([C@@H]4C[C@H](O)C4)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,16.17,(5.35,-21.87,;6.69,-22.64,;8.02,-21.86,;9.36,-22.63,;10.7,-21.86,;12.03,-22.63,;12.03,-24.18,;10.7,-24.95,;9.36,-24.18,;13.36,-24.95,;14.69,-24.18,;16.03,-24.94,;17.35,-24.17,;17.66,-22.66,;16.62,-21.53,;16.68,-20,;15.14,-19.93,;14.1,-18.8,;15.08,-21.47,;19.18,-22.49,;19.94,-21.15,;19.82,-23.88,;21.33,-24.19,;18.69,-24.92,;18.7,-26.48,;17.36,-27.25,;16.03,-26.48,;14.69,-27.26,;13.36,-26.49,;12.02,-27.26,)|

BDBM50378401

COCc1ccc(cn1)-c1cc2c3n([C@H]4CC[C@@H](CC4)OC)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,wD:17.21,(46.71,-18.13,;48.04,-18.9,;49.37,-18.13,;50.71,-18.9,;52.04,-18.13,;53.37,-18.9,;53.37,-20.44,;52.05,-21.21,;50.71,-20.45,;54.7,-21.21,;56.03,-20.44,;57.37,-21.2,;58.69,-20.43,;59,-18.93,;57.96,-17.8,;56.46,-18.13,;55.42,-16.99,;55.89,-15.52,;57.39,-15.2,;58.42,-16.33,;54.85,-14.38,;53.34,-14.71,;60.52,-18.75,;61.28,-17.41,;61.16,-20.15,;62.67,-20.45,;60.03,-21.18,;60.04,-22.74,;58.7,-23.51,;57.37,-22.75,;56.03,-23.52,;54.7,-22.75,;53.37,-23.52,)|

BDBM50378194

COCc1ccc(cn1)-c1cc2c3n([C@H]4C[C@@H](C4)OC)c(=O)n(C)c3cnc2cc1F |r,wU:14.14,wD:16.19,(5.2,-7.83,;6.54,-8.6,;7.87,-7.83,;9.21,-8.59,;10.55,-7.82,;11.88,-8.59,;11.88,-10.14,;10.55,-10.91,;9.22,-10.14,;13.21,-10.91,;14.54,-10.14,;15.88,-10.9,;17.2,-10.13,;17.51,-8.62,;16.47,-7.49,;14.93,-7.43,;15,-5.9,;16.53,-5.96,;13.95,-4.76,;14.41,-3.29,;19.03,-8.45,;19.79,-7.11,;19.67,-9.85,;21.18,-10.15,;18.54,-10.88,;18.55,-12.44,;17.21,-13.21,;15.88,-12.45,;14.54,-13.22,;13.21,-12.45,;11.87,-13.22,)|

BDBM50459007

COCc1ccc(cn1)-c1ccc2ncc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r|

BDBM50378396

COCc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1

BDBM50459009

COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)C3CCOCC3)c2c1 |r|

BDBM50459006

COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)c3ccn(C)n3)c2c1 |r|

BDBM50459012

COCc1ccc(cn1)-c1ccc2nnc(C(N)=O)c(N[C@@H](C)c3nn(C)cc3C)c2c1 |r|

BDBM50550682

CO[C@@H](C)COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50571462

CO[C@@H]1CCN([C@H]1Cc1ccccc1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606941

CO[C@@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM245546

CO[C@@H]1CC[C@@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r|

BDBM245534

CO[C@@H]1CC[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r|

BDBM245535

CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(NCCCN3CCCCC3)nc2)n(C)c1=O |r|

BDBM245498

CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r|

BDBM245538

CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r|

BDBM245537

CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O |r|

BDBM245543

CO[C@H]1CC[C@@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r|

BDBM245544

CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(NCCCN3CCCCC3)nc2)n(C)c1=O |r|

BDBM245542

CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r|

BDBM245545

CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r|

BDBM245536

CO[C@H]1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O |r|

BDBM50577302

CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)|

BDBM245539

CO[C@H]1CC[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r|

BDBM50577301

CO[C@H]1CC[C@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,2.1,(26.22,-45.52,;25.75,-46.98,;26.79,-48.11,;28.29,-47.78,;29.33,-48.92,;28.86,-50.39,;27.36,-50.72,;26.32,-49.58,;29.9,-51.52,;31.42,-51.35,;32.06,-52.74,;30.93,-53.78,;30.94,-55.33,;29.61,-56.11,;28.27,-55.34,;26.93,-56.12,;25.6,-55.34,;25.6,-53.8,;26.93,-53.03,;28.27,-53.79,;29.6,-53.02,;24.27,-53.03,;22.94,-53.8,;21.61,-53.04,;21.61,-51.49,;22.94,-50.72,;24.27,-51.49,;22.94,-49.19,;24.26,-48.42,;21.61,-48.42,)|

BDBM50378204

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(CO)nc2)n(C)c1=O |r,wU:4.6,2.1,(14.71,-32.7,;14.25,-34.17,;15.29,-35.31,;16.83,-35.37,;16.77,-36.9,;15.23,-36.84,;17.81,-38.04,;17.5,-39.54,;18.84,-40.29,;18.85,-41.85,;17.51,-42.63,;16.18,-41.86,;14.84,-42.64,;13.51,-41.87,;12.17,-42.64,;13.51,-40.32,;14.84,-39.55,;16.17,-40.31,;12.18,-39.55,;12.18,-38.01,;10.84,-37.24,;9.51,-38.01,;8.17,-37.24,;6.84,-38.01,;9.51,-39.56,;10.85,-40.32,;19.97,-39.26,;21.48,-39.56,;19.33,-37.86,;20.09,-36.52,)|

BDBM50378203

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(CS(C)(=O)=O)nc2)n(C)c1=O |r,wU:4.6,2.1,(34.14,-2.59,;33.68,-4.06,;34.73,-5.2,;36.26,-5.26,;36.2,-6.79,;34.66,-6.73,;37.24,-7.92,;36.93,-9.43,;38.27,-10.18,;38.28,-11.74,;36.95,-12.51,;35.61,-11.75,;34.27,-12.53,;32.94,-11.75,;31.6,-12.52,;32.94,-10.21,;34.27,-9.44,;35.61,-10.2,;31.61,-9.44,;31.61,-7.89,;30.28,-7.12,;28.94,-7.89,;27.6,-7.13,;26.27,-7.9,;24.93,-7.13,;27.03,-9.23,;25.5,-9.22,;28.95,-9.44,;30.28,-10.21,;39.4,-9.15,;40.91,-9.45,;38.77,-7.75,;39.52,-6.41,)|

BDBM50378394

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(NC(=O)CCCN(C)C)nc2)n(C)c1=O |r,wU:4.6,2.1,(57.12,-16.93,;56.67,-18.4,;57.71,-19.53,;59.24,-19.6,;59.18,-21.13,;57.65,-21.07,;60.22,-22.26,;59.91,-23.76,;61.25,-24.52,;61.26,-26.07,;59.92,-26.84,;58.59,-26.08,;57.26,-26.86,;55.92,-26.09,;54.59,-26.85,;55.92,-24.54,;57.25,-23.77,;58.59,-24.53,;54.59,-23.77,;54.6,-22.23,;53.26,-21.46,;51.93,-22.23,;50.59,-21.46,;49.26,-22.23,;49.26,-23.77,;47.93,-21.47,;46.59,-22.24,;45.26,-21.47,;43.93,-22.24,;42.59,-21.47,;43.93,-23.78,;51.93,-23.78,;53.27,-24.54,;62.38,-23.48,;63.89,-23.79,;61.74,-22.08,;62.5,-20.74,)|

BDBM50378403

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(NCCN(C)C)nc2)n(C)c1=O |r,wU:4.6,2.1,(34.23,-16.26,;33.77,-17.73,;34.82,-18.87,;36.35,-18.93,;36.29,-20.46,;34.75,-20.4,;37.33,-21.59,;37.02,-23.1,;38.36,-23.85,;38.37,-25.41,;37.03,-26.18,;35.7,-25.41,;34.36,-26.19,;33.03,-25.42,;31.69,-26.19,;33.03,-23.88,;34.36,-23.11,;35.7,-23.87,;31.7,-23.11,;31.7,-21.56,;30.37,-20.79,;29.03,-21.56,;27.69,-20.8,;26.36,-21.57,;25.02,-20.8,;23.69,-21.57,;22.35,-20.8,;23.69,-23.11,;29.04,-23.11,;30.37,-23.88,;39.49,-22.81,;41,-23.12,;38.85,-21.42,;39.61,-20.08,)|

BDBM245479

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;.68,-4.9,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)|

BDBM245492

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;.68,-4.9,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;-.65,-4.13,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)|

BDBM245499

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(4.18,4.94,;3.41,3.61,;4.18,2.27,;4.18,.73,;5.72,.73,;5.72,2.27,;6.81,-.35,;6.49,-1.86,;7.82,-2.63,;7.82,-4.17,;6.49,-4.94,;5.15,-4.17,;3.82,-4.94,;2.49,-4.17,;1.15,-4.94,;2.49,-2.63,;3.82,-1.86,;5.15,-2.63,;1.15,-1.86,;1.15,-.32,;-.18,.45,;-1.51,-.32,;-2.85,.45,;-4.18,-.32,;-5.52,.45,;-6.85,-.32,;-8.18,.45,;-8.18,1.99,;-9.65,2.46,;-10.55,1.22,;-9.65,-.03,;-1.51,-1.86,;-.18,-2.63,;8.97,-1.6,;10.55,-2.03,;8.34,-.19,;9.11,1.14,)|

BDBM50378404

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCN(C)C)nc2)n(C)c1=O |r,wU:4.6,2.1,(15.94,-4.52,;15.48,-5.99,;16.52,-7.13,;18.06,-7.19,;17.99,-8.72,;16.46,-8.66,;19.03,-9.85,;18.73,-11.36,;20.06,-12.11,;20.07,-13.67,;18.74,-14.44,;17.4,-13.67,;16.07,-14.45,;14.73,-13.68,;13.4,-14.45,;14.73,-12.14,;16.06,-11.37,;17.4,-12.13,;13.4,-11.37,;13.4,-9.82,;12.07,-9.05,;10.73,-9.82,;9.4,-9.05,;8.07,-9.83,;6.73,-9.06,;5.4,-9.83,;4.06,-9.06,;5.4,-11.37,;10.74,-11.37,;12.07,-12.14,;21.19,-11.07,;22.7,-11.38,;20.56,-9.68,;21.32,-8.34,)|

BDBM50378395

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(nc2)C(=O)NCCN(C)C)n(C)c1=O |r,wU:4.6,2.1,(55.4,-1.13,;54.94,-2.6,;55.98,-3.73,;57.52,-3.79,;57.45,-5.33,;55.92,-5.27,;58.5,-6.46,;58.19,-7.96,;59.53,-8.71,;59.54,-10.27,;58.2,-11.04,;56.87,-10.28,;55.53,-11.06,;54.2,-10.28,;52.86,-11.05,;54.2,-8.74,;55.53,-7.97,;56.86,-8.73,;52.87,-7.97,;52.87,-6.43,;51.54,-5.66,;50.2,-6.43,;50.21,-7.98,;51.54,-8.74,;48.86,-5.66,;48.86,-4.12,;47.53,-6.43,;46.2,-5.66,;44.86,-6.44,;43.53,-5.67,;42.19,-6.44,;43.52,-4.13,;60.66,-7.68,;62.17,-7.98,;60.02,-6.28,;60.78,-4.94,)|

BDBM50378402

CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(nc2)N(C)CCN(C)C)n(C)c1=O |r,wU:4.6,2.1,(33.93,-31.06,;33.47,-32.53,;34.52,-33.66,;36.05,-33.73,;35.99,-35.26,;34.45,-35.2,;37.03,-36.39,;36.73,-37.89,;38.06,-38.65,;38.07,-40.2,;36.74,-40.98,;35.4,-40.21,;34.06,-40.99,;32.73,-40.22,;31.39,-40.99,;32.73,-38.67,;34.06,-37.9,;35.4,-38.67,;31.4,-37.9,;31.4,-36.36,;30.07,-35.59,;28.73,-36.36,;28.74,-37.91,;30.07,-38.67,;27.4,-35.59,;27.39,-34.05,;26.06,-36.37,;24.73,-35.6,;23.39,-36.37,;22.06,-35.6,;23.4,-37.91,;39.19,-37.61,;40.7,-37.92,;38.56,-36.22,;39.31,-34.87,)|

BDBM245485

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)[nH]c1=O |r,wD:4.6,2.1,(3.69,4.9,;3.29,3.41,;4.38,2.32,;4.38,.78,;5.92,.78,;5.92,2.32,;7.01,-.31,;6.69,-1.82,;8.02,-2.59,;8.02,-4.13,;6.69,-4.9,;5.36,-4.13,;4.02,-4.9,;2.69,-4.13,;2.69,-2.59,;4.02,-1.82,;5.36,-2.59,;1.36,-1.82,;1.36,-.28,;.02,.49,;-1.31,-.28,;-2.64,.49,;-3.98,-.28,;-5.31,.49,;-6.65,-.28,;-7.98,.49,;-9.31,-.28,;-7.98,2.03,;-1.31,-1.82,;.02,-2.59,;9.17,-1.56,;8.54,-.15,;9.31,1.19,)|

BDBM245475

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.99,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;8.5,-1.56,;9.99,-1.95,;7.87,-.15,;8.64,1.19,)|

BDBM245491

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r,wD:4.6,2.1,(3.02,4.9,;2.62,3.41,;3.71,2.32,;3.71,.78,;5.25,.78,;5.25,2.32,;6.34,-.31,;6.02,-1.82,;7.35,-2.59,;7.35,-4.13,;6.02,-4.9,;4.69,-4.13,;3.35,-4.9,;2.02,-4.13,;2.02,-2.59,;3.35,-1.82,;4.69,-2.59,;.68,-1.82,;.68,-.28,;-.65,.49,;-1.98,-.28,;-3.32,.49,;-4.65,-.28,;-5.98,.49,;-7.32,-.28,;-8.65,.49,;-9.98,-.28,;-8.65,2.03,;-1.98,-1.82,;-.65,-2.59,;-.65,-4.13,;8.5,-1.56,;9.98,-1.95,;7.87,-.15,;8.64,1.19,)|

BDBM50378202

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCC(O)CC3)nc2)n(C)c1=O |r,wU:4.6,2.1,(20.74,-17.62,;20.29,-19.09,;21.33,-20.22,;22.86,-20.28,;22.8,-21.81,;21.27,-21.75,;23.84,-22.94,;23.53,-24.44,;24.87,-25.2,;24.88,-26.75,;23.55,-27.53,;22.21,-26.76,;20.88,-27.54,;19.54,-26.77,;19.54,-25.23,;20.87,-24.45,;22.21,-25.22,;18.21,-24.46,;18.22,-22.91,;16.88,-22.14,;15.55,-22.91,;14.21,-22.15,;12.88,-22.92,;11.55,-22.15,;10.21,-22.92,;8.88,-22.15,;8.88,-20.62,;7.56,-19.85,;6.22,-20.61,;4.89,-19.84,;6.22,-22.15,;7.55,-22.93,;15.55,-24.46,;16.89,-25.22,;26,-24.16,;27.51,-24.47,;25.36,-22.77,;26.12,-21.43,)|

BDBM245510

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.37,4.9,;2.97,3.41,;4.06,2.32,;4.06,.78,;5.6,.78,;5.6,2.32,;6.69,-.31,;6.37,-1.82,;7.71,-2.59,;7.71,-4.13,;6.37,-4.9,;5.04,-4.13,;3.7,-4.9,;2.37,-4.13,;2.37,-2.59,;3.7,-1.82,;5.04,-2.59,;1.04,-1.82,;1.04,-.28,;-.3,.49,;-1.63,-.28,;-2.96,.49,;-4.3,-.28,;-5.63,.49,;-6.96,-.28,;-8.3,.49,;-8.7,1.98,;-10.18,1.58,;-9.79,.1,;-1.63,-1.82,;-.3,-2.59,;8.85,-1.56,;10.18,-2.33,;8.22,-.15,;8.99,1.19,)|

BDBM245507

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)[nH]c1=O |r,wD:4.6,2.1,(4.21,4.9,;3.81,3.41,;4.9,2.32,;4.9,.78,;6.44,.78,;6.44,2.32,;7.53,-.31,;7.21,-1.82,;8.54,-2.59,;8.54,-4.13,;7.21,-4.9,;5.88,-4.13,;4.54,-4.9,;3.21,-4.13,;3.21,-2.59,;4.54,-1.82,;5.88,-2.59,;1.87,-1.82,;1.87,-.28,;.54,.49,;-.79,-.28,;-2.13,.49,;-3.46,-.28,;-4.79,.49,;-6.13,-.28,;-7.46,.49,;-7.46,2.03,;-8.93,2.51,;-9.83,1.26,;-8.93,.02,;-.79,-1.82,;.54,-2.59,;9.69,-1.56,;9.06,-.15,;9.83,1.19,)|

BDBM245500

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.62,4.9,;3.22,3.41,;4.31,2.32,;4.31,.78,;5.85,.78,;5.85,2.32,;6.93,-.31,;6.61,-1.82,;7.95,-2.59,;7.95,-4.13,;6.61,-4.9,;5.28,-4.13,;3.95,-4.9,;2.61,-4.13,;2.61,-2.59,;3.95,-1.82,;5.28,-2.59,;1.28,-1.82,;1.28,-.28,;-.05,.49,;-1.39,-.28,;-2.72,.49,;-4.06,-.28,;-5.39,.49,;-6.72,-.28,;-8.06,.49,;-8.06,2.03,;-9.52,2.51,;-10.43,1.26,;-9.52,.02,;-1.39,-1.82,;-.05,-2.59,;9.09,-1.56,;10.43,-2.33,;8.47,-.15,;9.24,1.19,)|

BDBM245505

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.76,4.9,;3.37,3.41,;4.45,2.32,;4.45,.78,;5.99,.78,;5.99,2.32,;7.08,-.31,;6.76,-1.82,;8.1,-2.59,;8.1,-4.13,;6.76,-4.9,;5.43,-4.13,;4.1,-4.9,;2.76,-4.13,;2.76,-2.59,;4.1,-1.82,;5.43,-2.59,;1.43,-1.82,;1.43,-.28,;.09,.49,;-1.24,-.28,;-2.57,.49,;-3.91,-.28,;-5.24,.49,;-6.57,-.28,;-7.91,.49,;-7.91,2.03,;-9.24,2.8,;-10.57,2.03,;-10.57,.49,;-9.24,-.28,;-1.24,-1.82,;.09,-2.59,;9.24,-1.56,;10.57,-2.33,;8.61,-.15,;9.38,1.19,)|

BDBM50378400

CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCOCC3)nc2)n(C)c1=O |r,wU:4.6,2.1,(21.66,-3.72,;21.2,-5.19,;22.24,-6.32,;23.78,-6.39,;23.71,-7.92,;22.18,-7.86,;24.76,-9.05,;24.45,-10.55,;25.78,-11.31,;25.8,-12.87,;24.46,-13.64,;23.12,-12.87,;21.79,-13.65,;20.45,-12.88,;20.46,-11.33,;21.79,-10.56,;23.12,-11.33,;19.12,-10.56,;19.13,-9.02,;17.79,-8.25,;16.46,-9.02,;15.12,-8.25,;13.79,-9.03,;12.45,-8.26,;11.12,-9.03,;9.78,-8.26,;9.79,-6.72,;8.46,-5.95,;7.12,-6.72,;7.12,-8.26,;8.46,-9.04,;16.46,-10.57,;17.8,-11.33,;26.92,-10.27,;28.43,-10.58,;26.28,-8.88,;27.04,-7.53,)|

BDBM606926

COc1c(F)cccc1C[C@H]1CCCCCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50302275

COc1cc(CN=Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc(OC)c1O |w:7.7|

BDBM606869

COc1cc(F)ccc1C[C@H]1CCCCCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606924

COc1cc(F)ccc1C[C@H]1CCCCCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50341711

COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC

BDBM50144972

COc1cc2c(ncnc2cc1O)-n1nc(nc1N)-c1ccccn1

BDBM50144970

COc1cc2c(ncnc2cc1OCCCN1CCOCC1)-n1nc(nc1N)-c1ccccn1

BDBM50144973

COc1cc2c(ncnc2cc1OCc1ccccc1)-n1nc(nc1N)-c1ccccn1

BDBM50144989

COc1cc2nc(C)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC

BDBM50144996

COc1cc2nc(Cl)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC

BDBM50144987

COc1cc2nc(N)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC

BDBM50144991

COc1cc2nc(NCC(O)=O)nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC

BDBM50144988

COc1cc2nc(nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC)-c1ccccc1

BDBM50144994

COc1cc2nc(nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC)N1CCN(C)CC1

BDBM50144993

COc1cc2nc(nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC)N1CCN(CCO)CC1

BDBM50144995

COc1cc2nc(nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC)N1CCOCC1

BDBM418513

COc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C |(-5.29,-.7,;-3.96,.07,;-2.62,-.7,;-2.62,-2.24,;-1.29,-3.01,;-1.29,-4.55,;.05,-5.32,;1.38,-4.55,;2.84,-5.02,;3.75,-3.78,;5.29,-3.78,;2.84,-2.53,;3.24,-1.04,;4.73,-.64,;5.13,.84,;4.04,1.93,;4.44,3.42,;2.55,1.53,;2.15,.05,;.67,-.35,;1.38,-3.01,;.05,-2.24,;.05,-.7,;-1.29,.07,;-1.29,1.61,;-2.53,2.52,;-2.06,3.98,;-2.83,5.32,;-.52,3.98,;-.04,2.52,;1.45,2.12,)|

BDBM418512

COc1cc2ncc3[nH]c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.7,;-3.96,.07,;-2.62,-.7,;-2.62,-2.24,;-1.29,-3.01,;-1.29,-4.55,;.05,-5.32,;1.38,-4.55,;2.84,-5.02,;3.75,-3.78,;5.29,-3.78,;2.84,-2.53,;3.24,-1.04,;4.73,-.64,;5.13,.84,;4.04,1.93,;4.44,3.42,;2.55,1.53,;2.15,.05,;.67,-.35,;1.38,-3.01,;.05,-2.24,;.05,-.7,;-1.29,.07,;-1.29,1.61,;-.04,2.52,;-.52,3.98,;-2.06,3.98,;-2.83,5.32,;-2.53,2.52,)|

BDBM418508

COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4C)c3c2cc1-c1cnn(C)n1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;.4,.24,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|

BDBM418473

COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn(C)nc1C |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-2.8,3.12,;-2.32,4.58,;-3.09,5.91,;-.78,4.58,;-.31,3.12,;1.18,2.72,)|

BDBM418499

COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn(C)nn1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-.01,5.91,;-2.32,4.58,;-2.8,3.12,)|

BDBM418440

COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;4.47,.62,;5.55,-.47,;4.86,2.11,;3.77,3.2,;2.29,2.8,;1.89,1.31,;.4,.91,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|

BDBM418450

COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|

BDBM492385

COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cnn(C)n1 |(-5.55,-.18,;-4.22,.59,;-2.89,-.18,;-2.89,-1.72,;-1.55,-2.49,;-1.55,-4.03,;-.22,-4.8,;1.11,-4.03,;2.58,-4.5,;3.35,-5.84,;3.48,-3.26,;5.02,-3.26,;2.58,-2.01,;2.98,-.52,;4.47,-.12,;5.55,-1.21,;4.86,1.36,;3.77,2.45,;2.29,2.05,;1.89,.57,;.4,.17,;1.11,-2.49,;-.22,-1.72,;-.22,-.18,;-1.55,.59,;-1.55,2.13,;-.31,3.04,;-.78,4.5,;-2.32,4.5,;-3.09,5.84,;-2.8,3.04,)|

BDBM492400

COc1cc2ncc3n(C)c(=O)n(-c4c(C)n[nH]c4C)c3c2cc1-c1cn(C)nc1C |(-5.85,-.18,;-4.52,.59,;-3.18,-.18,;-3.18,-1.72,;-1.85,-2.49,;-1.85,-4.03,;-.52,-4.8,;.82,-4.03,;2.28,-4.5,;3.05,-5.84,;3.19,-3.26,;4.73,-3.26,;2.28,-2.01,;3.05,-.68,;4.52,-.2,;5.85,-.97,;4.52,1.34,;3.05,1.81,;2.15,.57,;.61,.57,;.82,-2.49,;-.52,-1.72,;-.52,-.18,;-1.85,.59,;-1.85,2.13,;-3.1,3.04,;-2.62,4.5,;-3.39,5.84,;-1.08,4.5,;-.6,3.04,;.73,2.27,)|

BDBM418523

COc1cc2ncc3n(C)c(=O)n(-c4c(C)n[nH]c4C)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;4.33,.03,;5.66,-.74,;4.33,1.57,;2.87,2.05,;1.96,.8,;.42,.8,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|

BDBM418480

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4C#N)c3c2cc1-c1cnn(C)c1 |(-6.1,-.1,;-4.76,.67,;-3.43,-.1,;-3.43,-1.64,;-2.1,-2.41,;-2.1,-3.95,;-.76,-4.72,;.57,-3.95,;2.03,-4.43,;2.43,-5.91,;2.94,-3.18,;4.48,-3.18,;2.03,-1.93,;2.43,-.45,;1.34,.64,;-.14,.24,;1.74,2.13,;3.23,2.53,;4.32,1.44,;3.92,-.05,;5.01,-1.14,;6.1,-2.23,;.57,-2.41,;-.76,-1.64,;-.76,-.1,;-2.1,.67,;-2.1,2.21,;-.85,3.12,;-1.33,4.58,;-2.87,4.58,;-3.64,5.91,;-3.34,3.12,)|

BDBM418567

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4C4CC4)c3c2cc1-c1cnn(C)c1 |(-6.3,-.1,;-4.96,.67,;-3.63,-.1,;-3.63,-1.64,;-2.3,-2.41,;-2.3,-3.95,;-.96,-4.72,;.37,-3.95,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,;1.84,-1.93,;2.23,-.45,;1.14,.64,;-.34,.24,;1.54,2.13,;3.03,2.53,;4.12,1.44,;3.72,-.05,;4.81,-1.14,;5.21,-2.62,;6.3,-1.54,;.37,-2.41,;-.96,-1.64,;-.96,-.1,;-2.3,.67,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,)|

BDBM418434

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;4.47,.62,;5.55,-.47,;4.86,2.11,;3.77,3.2,;2.29,2.8,;1.89,1.31,;.4,.91,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|

BDBM418454

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|

BDBM418552

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OC(F)F)c3c2cc1-c1cn(C)nc1C |(-6.84,-.1,;-5.51,.67,;-4.17,-.1,;-4.17,-1.64,;-2.84,-2.41,;-2.84,-3.95,;-1.51,-4.72,;-.17,-3.95,;1.29,-4.43,;1.69,-5.91,;2.2,-3.18,;3.74,-3.18,;1.29,-1.93,;1.69,-.45,;.6,.64,;-.89,.24,;1,2.13,;2.49,2.53,;3.58,1.44,;3.18,-.05,;4.27,-1.14,;5.75,-.74,;6.84,-1.83,;6.15,.75,;-.17,-2.41,;-1.51,-1.64,;-1.51,-.1,;-2.84,.67,;-2.84,2.21,;-4.09,3.12,;-3.61,4.58,;-4.38,5.91,;-2.07,4.58,;-1.6,3.12,;-.11,2.72,)|

BDBM418551

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OC(F)F)c3c2cc1-c1cnn(C)c1 |(-6.84,-.1,;-5.51,.67,;-4.17,-.1,;-4.17,-1.64,;-2.84,-2.41,;-2.84,-3.95,;-1.51,-4.72,;-.17,-3.95,;1.29,-4.43,;1.69,-5.91,;2.2,-3.18,;3.74,-3.18,;1.29,-1.93,;1.69,-.45,;.6,.64,;-.89,.24,;1,2.13,;2.49,2.53,;3.58,1.44,;3.18,-.05,;4.27,-1.14,;5.75,-.74,;6.84,-1.83,;6.15,.75,;-.17,-2.41,;-1.51,-1.64,;-1.51,-.1,;-2.84,.67,;-2.84,2.21,;-1.6,3.12,;-2.07,4.58,;-3.61,4.58,;-4.38,5.91,;-4.09,3.12,)|

BDBM418545

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OC)c3c2cc1-c1cnn(CF)c1 |(-6.3,-.1,;-4.96,.67,;-3.63,-.1,;-3.63,-1.64,;-2.3,-2.41,;-2.3,-3.95,;-.96,-4.72,;.37,-3.95,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,;1.84,-1.93,;2.23,-.45,;1.14,.64,;-.34,.24,;1.54,2.13,;3.03,2.53,;4.12,1.44,;3.72,-.05,;4.81,-1.14,;6.3,-.74,;.37,-2.41,;-.96,-1.64,;-.96,-.1,;-2.3,.67,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-5.38,5.91,;-3.54,3.12,)|

BDBM418554

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OCF)c3c2cc1-c1cn(C)nc1C |(-6.68,-.1,;-5.35,.67,;-4.02,-.1,;-4.02,-1.64,;-2.68,-2.41,;-2.68,-3.95,;-1.35,-4.72,;-.01,-3.95,;1.45,-4.43,;1.85,-5.91,;2.36,-3.18,;3.9,-3.18,;1.45,-1.93,;1.85,-.45,;.76,.64,;-.73,.24,;1.16,2.13,;2.65,2.53,;3.73,1.44,;3.34,-.05,;4.11,-1.38,;5.59,-.98,;6.68,-2.07,;-.01,-2.41,;-1.35,-1.64,;-1.35,-.1,;-2.68,.67,;-2.68,2.21,;-3.93,3.12,;-3.45,4.58,;-4.22,5.91,;-1.91,4.58,;-1.44,3.12,;.05,2.72,)|

BDBM418553

COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4OCF)c3c2cc1-c1cnn(C)c1 |(-6.68,-.1,;-5.35,.67,;-4.02,-.1,;-4.02,-1.64,;-2.68,-2.41,;-2.68,-3.95,;-1.35,-4.72,;-.01,-3.95,;1.45,-4.43,;1.85,-5.91,;2.36,-3.18,;3.9,-3.18,;1.45,-1.93,;1.85,-.45,;.76,.64,;-.73,.24,;1.16,2.13,;2.65,2.53,;3.73,1.44,;3.34,-.05,;4.11,-1.38,;5.59,-.98,;6.68,-2.07,;-.01,-2.41,;-1.35,-1.64,;-1.35,-.1,;-2.68,.67,;-2.68,2.21,;-1.44,3.12,;-1.91,4.58,;-3.45,4.58,;-4.22,5.91,;-3.93,3.12,)|

BDBM418477

COc1cc2ncc3n(C)c(=O)n(-c4c[nH]nc4C)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.71,.03,;4.71,1.57,;3.24,2.05,;2.34,.8,;.8,.8,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM418525

COc1cc2ncc3n(C)c(=O)n(-c4cc5[nH]ccc5cn4)c3c2cc1-c1cnn(C)c1

BDBM418486

COc1cc2ncc3n(C)c(=O)n(-c4ccc(F)cn4)c3c2cc1-c1cnn(C)c1

BDBM418484

COc1cc2ncc3n(C)c(=O)n(-c4ccc(cn4)C#N)c3c2cc1-c1cnn(C)c1

BDBM418505

COc1cc2ncc3n(C)c(=O)n(-c4ccc5cc[nH]c5n4)c3c2cc1-c1cnn(C)c1

BDBM418504

COc1cc2ncc3n(C)c(=O)n(-c4ccc5ccccc5n4)c3c2cc1-c1cnn(C)c1

BDBM418492

COc1cc2ncc3n(C)c(=O)n(-c4ccccn4)c3c2cc1-c1cnn(C)c1

BDBM418481

COc1cc2ncc3n(C)c(=O)n(-c4ccnc(c4)C#N)c3c2cc1-c1cnn(C)c1

BDBM418494

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4)c3c2cc1-c1cnn(C)c1

BDBM418482

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C#N)c3c2cc1-c1cnn(C)c1 |(-6.1,-.1,;-4.76,.67,;-3.43,-.1,;-3.43,-1.64,;-2.1,-2.41,;-2.1,-3.95,;-.76,-4.72,;.57,-3.95,;2.03,-4.43,;2.43,-5.91,;2.94,-3.18,;4.48,-3.18,;2.03,-1.93,;2.43,-.45,;1.34,.64,;1.74,2.13,;3.23,2.53,;4.32,1.44,;3.92,-.05,;5.01,-1.14,;6.1,-2.23,;.57,-2.41,;-.76,-1.64,;-.76,-.1,;-2.1,.67,;-2.1,2.21,;-.85,3.12,;-1.33,4.58,;-2.87,4.58,;-3.64,5.91,;-3.34,3.12,)|

BDBM492332

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1c[nH]nc1C |(-5.55,.49,;-4.22,1.26,;-2.89,.49,;-2.89,-1.05,;-1.55,-1.82,;-1.55,-3.36,;-.22,-4.13,;1.11,-3.36,;2.58,-3.84,;3.35,-5.17,;3.48,-2.59,;5.02,-2.59,;2.58,-1.34,;2.98,.14,;1.89,1.23,;2.29,2.72,;3.77,3.12,;4.86,2.03,;4.47,.54,;5.55,-.55,;1.11,-1.82,;-.22,-1.05,;-.22,.49,;-1.55,1.26,;-1.55,2.8,;-2.8,3.71,;-2.32,5.17,;-.78,5.17,;-.31,3.71,;1.03,2.94,)|

BDBM418451

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;1.89,1.31,;2.29,2.8,;3.77,3.2,;4.86,2.11,;4.47,.62,;5.55,-.47,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|

BDBM418474

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|

BDBM418565

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C4CC4)c3c2cc1-c1cnn(C)c1 |(-6.3,-.1,;-4.96,.67,;-3.63,-.1,;-3.63,-1.64,;-2.3,-2.41,;-2.3,-3.95,;-.96,-4.72,;.37,-3.95,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,;1.84,-1.93,;2.23,-.45,;1.14,.64,;1.54,2.13,;3.03,2.53,;4.12,1.44,;3.72,-.05,;4.81,-1.14,;5.21,-2.62,;6.3,-1.54,;.37,-2.41,;-.96,-1.64,;-.96,-.1,;-2.3,.67,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,)|

BDBM418496

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4Cl)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|

BDBM418500

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cn(C)nn1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|

BDBM418441

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;1.89,1.31,;2.29,2.8,;3.77,3.2,;4.86,2.11,;4.47,.62,;5.55,-.47,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|

BDBM418469

COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|

BDBM418475

COc1cc2ncc3n(C)c(=O)n(-c4ccnn4C)c3c2cc1-c1cn[nH]c1 |(-5.66,.57,;-4.33,1.34,;-3,.57,;-3,-.97,;-1.66,-1.74,;-1.66,-3.28,;-.33,-4.05,;1,-3.28,;2.47,-3.76,;2.87,-5.25,;3.37,-2.51,;4.91,-2.51,;2.47,-1.27,;2.87,.22,;1.96,1.47,;2.87,2.71,;4.33,2.24,;4.33,.7,;5.66,-.07,;1,-1.74,;-.33,-.97,;-.33,.57,;-1.66,1.34,;-1.66,2.88,;-.42,3.78,;-.89,5.25,;-2.43,5.25,;-2.91,3.78,)|

BDBM418485

COc1cc2ncc3n(C)c(=O)n(-c4ccnn4C)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|

BDBM418495

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)cn4)c3c2cc1-c1cnn(C)c1

BDBM418526

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cc[nH]n1 |(-5.66,.57,;-4.33,1.34,;-3,.57,;-3,-.97,;-1.66,-1.74,;-1.66,-3.28,;-.33,-4.05,;1,-3.28,;2.47,-3.76,;2.87,-5.25,;3.37,-2.51,;4.91,-2.51,;2.47,-1.27,;2.87,.22,;4.33,.7,;4.33,2.24,;5.66,3.01,;2.87,2.71,;1.96,1.47,;.42,1.47,;1,-1.74,;-.33,-.97,;-.33,.57,;-1.66,1.34,;-1.66,2.88,;-.42,3.78,;-.89,5.25,;-2.43,5.25,;-2.91,3.78,)|

BDBM418537

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1ccc2nc(C)[nH]c2c1 |(-5.66,-1.29,;-4.33,-.52,;-3,-1.29,;-3,-2.83,;-1.66,-3.6,;-1.66,-5.14,;-.33,-5.91,;1,-5.14,;2.47,-5.61,;2.87,-7.1,;3.37,-4.37,;4.91,-4.37,;2.47,-3.12,;2.87,-1.64,;1.96,-.39,;2.87,.86,;2.47,2.34,;4.33,.38,;4.33,-1.16,;5.66,-1.93,;1,-3.6,;-.33,-2.83,;-.33,-1.29,;-1.66,-.52,;-1.66,1.02,;-.33,1.79,;-.33,3.33,;-1.66,4.1,;-1.98,5.61,;-3.52,5.77,;-4.29,7.1,;-4.14,4.36,;-3,3.33,;-3,1.79,)|

BDBM418442

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn(C)nc1C |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;2.47,3.53,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-2.91,3.12,;-2.43,4.58,;-3.2,5.91,;-.89,4.58,;-.42,3.12,;1.07,2.72,)|

BDBM418476

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn(C)nn1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;2.47,3.53,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-.12,5.91,;-2.43,4.58,;-2.91,3.12,)|

BDBM418435

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn[nH]c1 |(-5.66,.57,;-4.33,1.34,;-3,.57,;-3,-.97,;-1.66,-1.74,;-1.66,-3.28,;-.33,-4.05,;1,-3.28,;2.47,-3.76,;2.87,-5.25,;3.37,-2.51,;4.91,-2.51,;2.47,-1.27,;2.87,.22,;4.33,.7,;4.33,2.24,;5.66,3.01,;2.87,2.71,;1.96,1.47,;.42,1.47,;1,-1.74,;-.33,-.97,;-.33,.57,;-1.66,1.34,;-1.66,2.88,;-.42,3.78,;-.89,5.25,;-2.43,5.25,;-2.91,3.78,)|

BDBM418559

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cnc2nc(C)[nH]c2c1 |(-5.66,-1.29,;-4.33,-.52,;-3,-1.29,;-3,-2.83,;-1.66,-3.6,;-1.66,-5.14,;-.33,-5.91,;1,-5.14,;2.47,-5.61,;2.87,-7.1,;3.37,-4.37,;4.91,-4.37,;2.47,-3.12,;2.87,-1.64,;4.33,-1.16,;4.33,.38,;5.66,1.15,;2.87,.86,;1.96,-.39,;.42,-.39,;1,-3.6,;-.33,-2.83,;-.33,-1.29,;-1.66,-.52,;-1.66,1.02,;-.33,1.79,;-.33,3.33,;-1.66,4.1,;-1.98,5.61,;-3.52,5.77,;-4.29,7.1,;-4.14,4.36,;-3,3.33,;-3,1.79,)|

BDBM418437

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;4.33,.03,;4.33,1.57,;5.66,2.34,;2.87,2.05,;1.96,.8,;.42,.8,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|

BDBM418507

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cnn(C)n1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;2.47,3.53,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|

BDBM418556

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1n[nH]cc1C |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;2.14,1.51,;3.11,2.71,;2.71,4.2,;4.55,2.16,;4.47,.62,;5.55,-.47,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-2.8,3.78,;-2.32,5.25,;-.78,5.25,;-.31,3.78,;1.18,3.38,)|

BDBM418546

COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4F)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;2.47,3.53,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|

BDBM418489

COc1cc2ncc3n(C)c(=O)n(-c4cn[nH]c4)c3c2cc1-c1cnn(C)c1

BDBM418493

COc1cc2ncc3n(C)c(=O)n(-c4cncnc4)c3c2cc1-c1cnn(C)c1

BDBM492336

COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cn(C)nc1C

BDBM418449

COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cn[nH]c1

BDBM418455

COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cnn(C)c1

BDBM418471

COc1cc2ncc3n(C)c(=O)n(-c4cnn(c4)C4CCOCC4)c3c2cc1-c1cn[nH]c1

BDBM418491

COc1cc2ncc3n(C)c(=O)n(-c4cnn(c4)C4CCOCC4)c3c2cc1-c1cnn(C)c1

BDBM418462

COc1cc2ncc3n(C)c(=O)n(-c4csc(C)n4)c3c2cc1-c1cn[nH]c1

BDBM418452

COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;4.44,4.68,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|

BDBM418459

COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM418524

COc1cc2ncc3n(C)c(=O)n(-c4ncc(Cl)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM418522

COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1c[nH]nc1C |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;4.44,4.68,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-2.53,3.78,;-2.06,5.25,;-.52,5.25,;-.04,3.78,;1.45,3.38,)|

BDBM418443

COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-2.53,3.12,;-2.06,4.58,;-2.83,5.91,;-.52,4.58,;-.04,3.12,;1.29,2.35,)|

BDBM418438

COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;4.44,4.68,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|

BDBM418433

COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM418506

COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)n1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM418470

COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cn4)c3c2cc1-c1cnn(C)c1

BDBM418519

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OC(F)F)cc4F)c3c2cc1-c1cnn(C)c1 |(-6.15,-.1,;-4.82,.67,;-3.48,-.1,;-3.48,-1.64,;-2.15,-2.41,;-2.15,-3.95,;-.82,-4.72,;.52,-3.95,;1.98,-4.43,;2.38,-5.91,;2.89,-3.18,;4.43,-3.18,;1.98,-1.93,;2.38,-.45,;3.87,-.05,;4.27,1.44,;3.18,2.53,;3.58,4.02,;5.06,4.41,;5.46,5.9,;6.15,3.33,;1.69,2.13,;1.29,.64,;-.2,.24,;.52,-2.41,;-.82,-1.64,;-.82,-.1,;-2.15,.67,;-2.15,2.21,;-.9,3.12,;-1.38,4.58,;-2.92,4.58,;-3.69,5.91,;-3.4,3.12,)|

BDBM418570

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OC5CNC5)cc4F)c3c2cc1-c1cnn(C)c1 |(-6.66,-.1,;-5.33,.67,;-3.99,-.1,;-3.99,-1.64,;-2.66,-2.41,;-2.66,-3.95,;-1.32,-4.72,;.01,-3.95,;1.47,-4.43,;1.87,-5.91,;2.38,-3.18,;3.92,-3.18,;1.47,-1.93,;1.87,-.45,;3.36,-.05,;3.76,1.44,;2.67,2.53,;3.07,4.02,;4.56,4.41,;5.89,3.64,;6.66,4.98,;5.33,5.75,;1.18,2.13,;.78,.64,;-.7,.24,;.01,-2.41,;-1.32,-1.64,;-1.32,-.1,;-2.66,.67,;-2.66,2.21,;-1.41,3.12,;-1.89,4.58,;-3.43,4.58,;-4.2,5.91,;-3.9,3.12,)|

BDBM418572

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OCC5CN(C)C5)cc4F)c3c2cc1-c1cnn(C)c1 |(-6.47,-1.89,;-5.14,-1.12,;-3.81,-1.89,;-3.81,-3.43,;-2.47,-4.2,;-2.47,-5.74,;-1.14,-6.51,;.19,-5.74,;1.66,-6.22,;2.06,-7.7,;2.56,-4.97,;4.1,-4.97,;1.66,-3.72,;2.06,-2.24,;3.55,-1.84,;3.94,-.35,;2.86,.74,;3.25,2.23,;4.74,2.62,;5.14,4.11,;6.47,4.88,;5.7,6.22,;6.1,7.7,;4.37,5.45,;1.37,.34,;.97,-1.15,;-.52,-1.55,;.19,-4.2,;-1.14,-3.43,;-1.14,-1.89,;-2.47,-1.12,;-2.47,.42,;-1.23,1.33,;-1.7,2.79,;-3.24,2.79,;-4.01,4.12,;-3.72,1.33,)|

BDBM418569

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OCC=C)cc4F)c3c2cc1-c1cnn(C)c1 |(-6.55,-.29,;-5.22,.48,;-3.88,-.29,;-3.88,-1.83,;-2.55,-2.6,;-2.55,-4.14,;-1.22,-4.91,;.12,-4.14,;1.58,-4.62,;1.98,-6.11,;2.49,-3.37,;4.03,-3.37,;1.58,-2.13,;1.98,-.64,;.89,.45,;1.29,1.94,;2.78,2.33,;3.18,3.82,;4.66,4.22,;5.06,5.71,;6.55,6.11,;3.87,1.25,;3.47,-.24,;4.56,-1.33,;.12,-2.6,;-1.22,-1.83,;-1.22,-.29,;-2.55,.48,;-2.55,2.02,;-1.3,2.92,;-1.78,4.39,;-3.32,4.39,;-4.09,5.72,;-3.8,2.92,)|

BDBM418503

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OCCO)cc4F)c3c2cc1-c1cnn(C)c1 |(-6.55,-.29,;-5.22,.48,;-3.88,-.29,;-3.88,-1.83,;-2.55,-2.6,;-2.55,-4.14,;-1.22,-4.91,;.12,-4.14,;1.58,-4.62,;1.98,-6.11,;2.49,-3.37,;4.03,-3.37,;1.58,-2.13,;1.98,-.64,;3.47,-.24,;3.87,1.25,;2.78,2.33,;3.18,3.82,;4.66,4.22,;5.06,5.71,;6.55,6.11,;1.29,1.94,;.89,.45,;-.6,.05,;.12,-2.6,;-1.22,-1.83,;-1.22,-.29,;-2.55,.48,;-2.55,2.02,;-1.3,2.92,;-1.78,4.39,;-3.32,4.39,;-4.09,5.72,;-3.8,2.92,)|

BDBM418515

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OCF)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.81,-.1,;-4.47,.67,;-3.14,-.1,;-3.14,-1.64,;-1.81,-2.41,;-1.81,-3.95,;-.47,-4.72,;.86,-3.95,;2.33,-4.43,;2.72,-5.91,;3.23,-3.18,;4.77,-3.18,;2.33,-1.93,;2.72,-.45,;4.21,-.05,;4.61,1.44,;3.52,2.53,;3.92,4.02,;5.41,4.41,;5.81,5.9,;2.03,2.13,;1.64,.64,;.15,.24,;.86,-2.41,;-.47,-1.64,;-.47,-.1,;-1.81,.67,;-1.81,2.21,;-.56,3.12,;-1.04,4.58,;-2.58,4.58,;-3.35,5.91,;-3.05,3.12,)|

BDBM418568

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OCS(C)(=O)=O)cc4F)c3c2cc1-c1cn(C)nc1C |(-6.47,-.64,;-5.14,.13,;-3.81,-.64,;-3.81,-2.18,;-2.47,-2.95,;-2.47,-4.49,;-1.14,-5.26,;.19,-4.49,;1.66,-4.96,;2.06,-6.45,;2.56,-3.72,;4.1,-3.72,;1.66,-2.47,;2.06,-.99,;3.55,-.59,;3.94,.9,;2.86,1.99,;3.25,3.48,;4.74,3.88,;5.14,5.36,;6.23,6.45,;6.47,4.59,;3.81,6.13,;1.37,1.59,;.97,.1,;-.52,-.3,;.19,-2.95,;-1.14,-2.18,;-1.14,-.64,;-2.47,.13,;-2.47,1.67,;-3.72,2.58,;-3.24,4.04,;-4.01,5.37,;-1.7,4.04,;-1.23,2.58,;.26,2.18,)|

BDBM418566

COc1cc2ncc3n(C)c(=O)n(-c4ncc(OCS(C)(=O)=O)cc4F)c3c2cc1-c1cnn(C)c1 |(-6.47,-.64,;-5.14,.13,;-3.81,-.64,;-3.81,-2.18,;-2.47,-2.95,;-2.47,-4.49,;-1.14,-5.26,;.19,-4.49,;1.66,-4.96,;2.06,-6.45,;2.56,-3.72,;4.1,-3.72,;1.66,-2.47,;2.06,-.99,;3.55,-.59,;3.94,.9,;2.86,1.99,;3.25,3.48,;4.74,3.88,;5.14,5.36,;6.23,6.45,;3.81,6.13,;6.47,4.59,;1.37,1.59,;.97,.1,;-.52,-.3,;.19,-2.95,;-1.14,-2.18,;-1.14,-.64,;-2.47,.13,;-2.47,1.67,;-1.23,2.58,;-1.7,4.04,;-3.24,4.04,;-4.01,5.37,;-3.72,2.58,)|

BDBM418528

COc1cc2ncc3n(C)c(=O)n(-c4ncc(cc4F)N4CCNCC4)c3c2cc1-c1cnn(C)c1 |(-5.81,-.64,;-4.47,.13,;-3.14,-.64,;-3.14,-2.18,;-1.81,-2.95,;-1.81,-4.49,;-.47,-5.26,;.86,-4.49,;2.33,-4.96,;2.72,-6.45,;3.23,-3.72,;4.77,-3.72,;2.33,-2.47,;2.72,-.99,;4.21,-.59,;4.61,.9,;3.52,1.99,;2.03,1.59,;1.64,.1,;.15,-.3,;3.92,3.48,;5.41,3.88,;5.81,5.36,;4.72,6.45,;3.23,6.05,;2.83,4.57,;.86,-2.95,;-.47,-2.18,;-.47,-.64,;-1.81,.13,;-1.81,1.67,;-.56,2.58,;-1.04,4.04,;-2.58,4.04,;-3.35,5.37,;-3.05,2.58,)|

BDBM418461

COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cc(C)[nH]n1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|

BDBM418501

COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cc(N)n[nH]1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|

BDBM418448

COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn(C)nc1C |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-2.8,3.12,;-2.32,4.58,;-3.09,5.91,;-.78,4.58,;-.31,3.12,;1.18,2.72,)|

BDBM418487

COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn(C)nn1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|

BDBM418439

COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|

BDBM418446

COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM418563

COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cnn(C)n1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM418488

COc1cc2ncc3n(C)c(=O)n(-c4ncccn4)c3c2cc1-c1cnn(C)c1

BDBM418483

COc1cc2ncc3n(C)c(=O)n(-c4nccs4)c3c2cc1-c1cnn(C)c1

BDBM418463

COc1cc2ncc3n(C)c(=O)n(-c4ncncc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|

BDBM50144983

COc1cc2ncnc(-n3cnc(n3)-c3ccccn3)c2cc1OC

BDBM50144976

COc1cc2ncnc(-n3nc(N)nc3N)c2cc1OC

BDBM50144979

COc1cc2ncnc(-n3nc(cc3N)-c3ccc(C)cc3)c2cc1OC

BDBM50144978

COc1cc2ncnc(-n3nc(cc3N)-c3ccc(Cl)cc3)c2cc1OC

BDBM50144980

COc1cc2ncnc(-n3nc(cc3N)-c3ccccc3)c2cc1OC

BDBM50144981

COc1cc2ncnc(-n3nc(cc3N)-c3ccccn3)c2cc1OC

BDBM50145000

COc1cc2ncnc(-n3nc(nc3N)-c3ccc(Cl)cc3)c2cc1OC

BDBM50145002

COc1cc2ncnc(-n3nc(nc3N)-c3ccccc3)c2cc1OC

BDBM50145010

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1N

BDBM50144974

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1O

BDBM50145038

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC

BDBM50144959

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCCNC(=O)OC(C)(C)C

BDBM50144969

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN(C)C

BDBM50144964

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN1CC(C)OC(C)C1

BDBM50144971

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN1CCOCC1

BDBM50144951

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)C(F)(F)F

BDBM50144961

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)CN1C[C@H](C)O[C@H](C)C1 |r|

BDBM50144960

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OC(C)(C)C

BDBM50144956

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OC(C)C

BDBM50144952

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OCC(C)(C)C

BDBM50144955

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OCC(F)(F)F

BDBM50144953

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)Oc1ccccc1

BDBM50144968

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN(C(C)C)C(C)C

BDBM50144965

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCC(C)CC1

BDBM50144967

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCC1

BDBM50144966

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCCC1

BDBM50144958

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCNC(=O)OC(C)(C)C

BDBM50144975

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCc1ccccc1

BDBM50145030

COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1[N+]([O-])=O

BDBM50145004

COc1cc2ncnc(-n3nc(nc3N)-c3cccnc3)c2cc1OC

BDBM50145003

COc1cc2ncnc(-n3nc(nc3N)-c3ccncc3)c2cc1OC

BDBM50144999

COc1cc2ncnc(-n3nc(nc3N)C3CCCCC3)c2cc1OC

BDBM50144977

COc1cc2ncnc(-n3ncc(c3N)-c3ccccn3)c2cc1OC

BDBM50144982

COc1cc2ncnc(-n3ncc(n3)-c3ccccn3)c2cc1OC

BDBM50144986

COc1cc2ncnc(NCc3ccccn3)c2cc1OC

BDBM50144984

COc1cc2ncnc(Nc3ccc(cc3)-c3ccccn3)c2cc1OC

BDBM50144985

COc1cc2ncnc(Nc3ccccn3)c2cc1OC

BDBM606861

COc1ccc(C[C@H]2CCCCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606854

COc1ccc(C[C@H]2CCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606880

COc1ccc(F)cc1C[C@H]1CCCCCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606874

COc1ccc(OC)c(C[C@H]2CCCCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)c1 |r|

BDBM50341735

COc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50145034

COc1ccc(cc1)-c1nc(N)n(n1)-c1ncnc2cc(Cl)ccc12

BDBM50145001

COc1ccc(cc1)-c1nc(N)n(n1)-c1ncnc2cc(OC)c(OC)cc12

BDBM50145041

COc1ccc(cc1)-c1nc(N)n(n1)-c1ncnc2ccccc12

BDBM418542

COc1ccc(cn1)-c1cc2c3n(-c4c(F)cncc4OC)c(=O)n(C)c3cnc2cc1OC |(-.96,6.76,;-2.3,5.99,;-2.3,4.45,;-.96,3.68,;-.96,2.14,;-2.3,1.37,;-3.63,2.14,;-3.63,3.68,;-2.3,-.17,;-.96,-.94,;-.96,-2.48,;.37,-3.25,;1.84,-2.78,;2.23,-1.29,;1.14,-.2,;-.34,-.6,;1.54,1.29,;3.03,1.69,;4.12,.6,;3.72,-.89,;4.81,-1.98,;6.3,-1.58,;2.74,-4.02,;4.28,-4.02,;1.84,-5.27,;2.23,-6.76,;.37,-4.79,;-.96,-5.56,;-2.3,-4.79,;-2.3,-3.25,;-3.63,-2.48,;-3.63,-.94,;-4.96,-.17,;-6.3,-.94,)|

BDBM418564

COc1ccc(cn1)-c1cc2c3n(-c4cn(C)nc4F)c(=O)n(C)c3cnc2cc1OC |(-.33,6.76,;-1.66,5.99,;-1.66,4.45,;-.33,3.68,;-.33,2.14,;-1.66,1.37,;-3,2.14,;-3,3.68,;-1.66,-.17,;-.33,-.94,;-.33,-2.48,;1,-3.25,;2.47,-2.78,;2.87,-1.29,;1.96,-.04,;2.87,1.2,;2.47,2.69,;4.33,.73,;4.33,-.81,;5.66,-1.58,;3.37,-4.02,;4.91,-4.02,;2.47,-5.27,;2.87,-6.76,;1,-4.79,;-.33,-5.56,;-1.66,-4.79,;-1.66,-3.25,;-3,-2.48,;-3,-.94,;-4.33,-.17,;-5.66,-.94,)|

BDBM245470

COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(C)=O)c3c2c1

BDBM245468

COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCNCC4)c3c2c1

BDBM50571448

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc([nH]1)N1CCOCC1

BDBM50550657

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1

BDBM50571452

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(O)nc(n1)N1CCOCC1

BDBM50571449

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc([nH]c(=O)c1)N1CCOCC1

BDBM50571446

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(cc(=O)[nH]1)N1CCOCC1

BDBM50571447

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(cc(=O)n1C)N1CCOCC1

BDBM50571450

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(cc(OC)n1)N1CCOCC1

BDBM50571453

COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(nc(O)n1)N1CCOCC1

BDBM50571451

COc1ccc2Sc3c(Cc2c1)cccc3-c1nc(O)cc(n1)N1CCOCC1

BDBM50550688

COc1ccc2Sc3c(cccc3C(C)(C)c2c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50550689

COc1ccc2Sc3c(cccc3C3(CCOCC3)c2c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50145008

COc1ccc2ncnc(-n3nc(nc3N)-c3ccccn3)c2c1

BDBM606858

COc1cccc(C[C@H]2CCCCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)c1 |r|

BDBM606913

COc1cccc(C[C@H]2CCCCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)c1 |r|

BDBM606925

COc1cccc(C[C@H]2CCCCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)c1OC |r|

BDBM606857

COc1cccc(C[C@H]2CCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)c1 |r|

BDBM50341729

COc1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50341723

COc1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM606930

COc1ccccc1CC1CC(F)(F)CCCN1c1nc(cc(=O)[nH]1)N1CCOCC1

BDBM606872

COc1ccccc1C[C@H]1CC(F)(F)CCCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606946

COc1ccccc1C[C@H]1CC2(CC2)CN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606860

COc1ccccc1C[C@H]1CCCCCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606912

COc1ccccc1C[C@H]1CCCCCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606910

COc1ccccc1C[C@H]1CCCCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606853

COc1ccccc1C[C@H]1CCCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606929

COc1ccccc1C[C@H]1C[C@@H](C)CCCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606970

COc1ccccc1C[C@H]1[C@@H](F)CCN1c1nc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|

BDBM606891

COc1ccccc1C[C@H]1[C@@H]2C[C@@H]2CN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606868

COc1ccccc1C[C@H]1[C@H](C)CCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606920

COc1ccccc1C[C@H]1[C@H](C)CCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606957

COc1ccccc1C[C@H]1[C@H](C)CCN1c1nc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|

BDBM606892

COc1ccccc1C[C@H]1[C@H]2C[C@H]2CN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM418527

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2c[nH]nc2C)n(C)c1=O |(5.61,5.08,;4.12,4.68,;3.72,3.2,;4.81,2.11,;4.41,.62,;2.92,.22,;1.84,1.31,;.35,.91,;2.23,2.8,;2.53,-1.27,;1.06,-1.74,;1.06,-3.28,;-.27,-4.05,;-1.61,-3.28,;-1.61,-1.74,;-2.94,-.97,;-2.94,.57,;-4.27,1.34,;-5.61,.57,;-1.61,1.34,;-.27,.57,;-.27,-.97,;-1.61,2.88,;-2.85,3.78,;-2.38,5.25,;-.84,5.25,;-.36,3.78,;1.13,3.38,;2.53,-3.76,;2.92,-5.25,;3.43,-2.51,;4.97,-2.51,)|

BDBM418549

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2ccc3nc(C)[nH]c3c2)n(C)c1=O |(3.08,3.92,;4.17,2.83,;3.77,1.34,;2.29,.94,;1.89,-.55,;2.98,-1.64,;4.47,-1.24,;5.55,-2.33,;4.86,.25,;2.58,-3.12,;1.11,-3.6,;1.11,-5.14,;-.22,-5.91,;-1.55,-5.14,;-1.55,-3.6,;-2.89,-2.83,;-2.89,-1.29,;-4.22,-.52,;-5.55,-1.29,;-1.55,-.52,;-.22,-1.29,;-.22,-2.83,;-1.55,1.02,;-.22,1.79,;-.22,3.33,;-1.55,4.1,;-1.87,5.61,;-3.4,5.77,;-4.17,7.1,;-4.03,4.36,;-2.89,3.33,;-2.89,1.79,;2.58,-5.61,;2.98,-7.1,;3.48,-4.37,;5.02,-4.37,)|

BDBM418558

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2ccc3nc[nH]c3c2)n(C)c1=O |(5.61,3.89,;4.12,3.49,;3.72,2.01,;4.81,.92,;4.41,-.57,;2.92,-.97,;1.84,.12,;.35,-.28,;2.23,1.61,;2.53,-2.46,;1.06,-2.93,;1.06,-4.47,;-.27,-5.24,;-1.61,-4.47,;-1.61,-2.93,;-2.94,-2.16,;-2.94,-.62,;-4.27,.15,;-5.61,-.62,;-1.61,.15,;-.27,-.62,;-.27,-2.16,;-1.61,1.69,;-2.94,2.46,;-2.94,4,;-1.61,4.77,;-1.29,6.27,;.25,6.44,;.87,5.03,;-.27,4,;-.27,2.46,;2.53,-4.95,;2.92,-6.44,;3.43,-3.7,;4.97,-3.7,)|

BDBM418514

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2ccn[nH]2)n(C)c1=O |(5.61,5.08,;4.12,4.68,;3.72,3.2,;4.81,2.11,;4.41,.62,;2.92,.22,;1.84,1.31,;.35,.91,;2.23,2.8,;2.53,-1.27,;1.06,-1.74,;1.06,-3.28,;-.27,-4.05,;-1.61,-3.28,;-1.61,-1.74,;-2.94,-.97,;-2.94,.57,;-4.27,1.34,;-5.61,.57,;-1.61,1.34,;-.27,.57,;-.27,-.97,;-1.61,2.88,;-.36,3.78,;-.84,5.25,;-2.38,5.25,;-2.85,3.78,;2.53,-3.76,;2.92,-5.25,;3.43,-2.51,;4.97,-2.51,)|

BDBM418511

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(5.61,4.41,;4.12,4.02,;3.72,2.53,;4.81,1.44,;4.41,-.05,;2.92,-.45,;1.84,.64,;.35,.24,;2.23,2.13,;2.53,-1.93,;1.06,-2.41,;1.06,-3.95,;-.27,-4.72,;-1.61,-3.95,;-1.61,-2.41,;-2.94,-1.64,;-2.94,-.1,;-4.27,.67,;-5.61,-.1,;-1.61,.67,;-.27,-.1,;-.27,-1.64,;-1.61,2.21,;-2.85,3.12,;-2.38,4.58,;-3.15,5.91,;-.84,4.58,;-.36,3.12,;1.13,2.72,;2.53,-4.43,;2.92,-5.91,;3.43,-3.18,;4.97,-3.18,)|

BDBM418538

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nn2)n(C)c1=O |(5.61,4.41,;4.12,4.02,;3.72,2.53,;4.81,1.44,;4.41,-.05,;2.92,-.45,;1.84,.64,;.35,.24,;2.23,2.13,;2.53,-1.93,;1.06,-2.41,;1.06,-3.95,;-.27,-4.72,;-1.61,-3.95,;-1.61,-2.41,;-2.94,-1.64,;-2.94,-.1,;-4.27,.67,;-5.61,-.1,;-1.61,.67,;-.27,-.1,;-.27,-1.64,;-1.61,2.21,;-.36,3.12,;-.84,4.58,;-.07,5.91,;-2.38,4.58,;-2.85,3.12,;2.53,-4.43,;2.92,-5.91,;3.43,-3.18,;4.97,-3.18,)|

BDBM418520

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)[nH]c1=O |(5.61,3.82,;4.12,3.42,;3.72,1.93,;4.81,.84,;4.41,-.64,;2.92,-1.04,;1.84,.05,;.35,-.35,;2.23,1.53,;2.53,-2.53,;1.06,-3.01,;1.06,-4.55,;-.27,-5.32,;-1.61,-4.55,;-1.61,-3.01,;-2.94,-2.24,;-2.94,-.7,;-4.27,.07,;-5.61,-.7,;-1.61,.07,;-.27,-.7,;-.27,-2.24,;-1.61,1.61,;-.36,2.52,;-.84,3.98,;-2.38,3.98,;-3.15,5.32,;-2.85,2.52,;2.53,-5.02,;3.43,-3.78,;4.97,-3.78,)|

BDBM418560

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(4.86,4.41,;3.38,4.02,;2.98,2.53,;4.07,1.44,;3.67,-.05,;2.18,-.45,;1.09,.64,;-.4,.24,;1.49,2.13,;1.78,-1.93,;.32,-2.41,;.32,-3.95,;-1.02,-4.72,;-2.35,-3.95,;-2.35,-2.41,;-3.68,-1.64,;-3.68,-.1,;-5.02,.67,;-6.35,-.1,;-2.35,.67,;-1.02,-.1,;-1.02,-1.64,;-2.35,2.21,;-1.1,3.12,;-1.58,4.58,;-3.12,4.58,;-3.89,5.91,;-3.6,3.12,;1.78,-4.43,;2.18,-5.91,;2.69,-3.18,;4.23,-3.18,)|

BDBM418510

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(5.61,4.41,;4.12,4.02,;3.72,2.53,;4.81,1.44,;4.41,-.05,;2.92,-.45,;1.84,.64,;.35,.24,;2.23,2.13,;2.53,-1.93,;1.06,-2.41,;1.06,-3.95,;-.27,-4.72,;-1.61,-3.95,;-1.61,-2.41,;-2.94,-1.64,;-2.94,-.1,;-4.27,.67,;-5.61,-.1,;-1.61,.67,;-.27,-.1,;-.27,-1.64,;-1.61,2.21,;-.36,3.12,;-.84,4.58,;-2.38,4.58,;-3.15,5.91,;-2.85,3.12,;2.53,-4.43,;2.92,-5.91,;3.43,-3.18,;4.97,-3.18,)|

BDBM418533

COc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn[nH]2)n(C)c1=O |(5.61,5.08,;4.12,4.68,;3.72,3.2,;4.81,2.11,;4.41,.62,;2.92,.22,;1.84,1.31,;.35,.91,;2.23,2.8,;2.53,-1.27,;1.06,-1.74,;1.06,-3.28,;-.27,-4.05,;-1.61,-3.28,;-1.61,-1.74,;-2.94,-.97,;-2.94,.57,;-4.27,1.34,;-5.61,.57,;-1.61,1.34,;-.27,.57,;-.27,-.97,;-1.61,2.88,;-.36,3.78,;-.84,5.25,;-2.38,5.25,;-2.85,3.78,;2.53,-3.76,;2.92,-5.25,;3.43,-2.51,;4.97,-2.51,)|

BDBM418541

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2ccc3nc(C)[nH]c3c2)n(C)c1=O |(6.3,-1.93,;4.81,-2.33,;3.72,-1.24,;4.12,.25,;3.03,1.34,;1.54,.94,;1.14,-.55,;-.34,-.95,;2.23,-1.64,;1.84,-3.12,;.37,-3.6,;.37,-5.14,;-.96,-5.91,;-2.3,-5.14,;-2.3,-3.6,;-3.63,-2.83,;-3.63,-1.29,;-4.96,-.52,;-6.3,-1.29,;-2.3,-.52,;-.96,-1.29,;-.96,-2.83,;-2.3,1.02,;-.96,1.79,;-.96,3.33,;-2.3,4.1,;-2.62,5.61,;-4.15,5.77,;-4.92,7.1,;-4.77,4.36,;-3.63,3.33,;-3.63,1.79,;1.84,-5.61,;2.23,-7.1,;2.74,-4.37,;4.28,-4.37,)|

BDBM418529

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2ccn[nH]2)n(C)c1=O |(6.3,-.07,;4.81,-.47,;3.72,.62,;4.12,2.11,;3.03,3.2,;1.54,2.8,;1.14,1.31,;-.34,.91,;2.23,.22,;1.84,-1.27,;.37,-1.74,;.37,-3.28,;-.96,-4.05,;-2.3,-3.28,;-2.3,-1.74,;-3.63,-.97,;-3.63,.57,;-4.96,1.34,;-6.3,.57,;-2.3,1.34,;-.96,.57,;-.96,-.97,;-2.3,2.88,;-1.05,3.78,;-1.53,5.25,;-3.07,5.25,;-3.54,3.78,;1.84,-3.76,;2.23,-5.25,;2.74,-2.51,;4.28,-2.51,)|

BDBM418534

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)[nH]c1=O |(6.3,-1.34,;4.81,-1.73,;3.72,-.64,;4.12,.84,;3.03,1.93,;1.54,1.53,;1.14,.05,;-.34,-.35,;2.23,-1.04,;1.84,-2.53,;.37,-3.01,;.37,-4.55,;-.96,-5.32,;-2.3,-4.55,;-2.3,-3.01,;-3.63,-2.24,;-3.63,-.7,;-4.96,.07,;-6.3,-.7,;-2.3,.07,;-.96,-.7,;-.96,-2.24,;-2.3,1.61,;-3.54,2.52,;-3.07,3.98,;-3.84,5.32,;-1.53,3.98,;-1.05,2.52,;.44,2.12,;1.84,-5.02,;2.74,-3.78,;4.28,-3.78,)|

BDBM418555

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(5.59,-.78,;4.11,-1.18,;3.02,-.09,;3.38,1.44,;2.29,2.53,;.8,2.13,;.4,.64,;-1.09,.24,;1.49,-.45,;1.09,-1.93,;-.37,-2.41,;-.37,-3.95,;-1.71,-4.72,;-3.04,-3.95,;-3.04,-2.41,;-4.37,-1.64,;-4.37,-.1,;-5.71,.67,;-7.04,-.1,;-3.04,.67,;-1.71,-.1,;-1.71,-1.64,;-3.04,2.21,;-4.29,3.12,;-3.81,4.58,;-4.58,5.91,;-2.27,4.58,;-1.79,3.12,;-.31,2.72,;1.09,-4.43,;1.49,-5.91,;2,-3.18,;3.54,-3.18,)|

BDBM418436

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-3.54,3.12,;-3.07,4.58,;-3.84,5.91,;-1.53,4.58,;-1.05,3.12,;.44,2.72,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418536

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nn2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-.76,5.91,;-3.07,4.58,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418557

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnc3nc(C)[nH]c3c2)n(C)c1=O |(6.3,-1.93,;4.81,-2.33,;3.72,-1.24,;4.12,.25,;3.03,1.34,;1.54,.94,;1.14,-.55,;-.34,-.95,;2.23,-1.64,;1.84,-3.12,;.37,-3.6,;.37,-5.14,;-.96,-5.91,;-2.3,-5.14,;-2.3,-3.6,;-3.63,-2.83,;-3.63,-1.29,;-4.96,-.52,;-6.3,-1.29,;-2.3,-.52,;-.96,-1.29,;-.96,-2.83,;-2.3,1.02,;-3.63,1.79,;-3.63,3.33,;-2.3,4.1,;-1.98,5.61,;-.45,5.77,;.32,7.1,;.18,4.36,;-.96,3.33,;-.96,1.79,;1.84,-5.61,;2.23,-7.1,;2.74,-4.37,;4.28,-4.37,)|

BDBM418521

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)[nH]c1=O |(6.3,-1.34,;4.81,-1.73,;3.72,-.64,;4.12,.84,;3.03,1.93,;1.54,1.53,;1.14,.05,;-.34,-.35,;2.23,-1.04,;1.84,-2.53,;.37,-3.01,;.37,-4.55,;-.96,-5.32,;-2.3,-4.55,;-2.3,-3.01,;-3.63,-2.24,;-3.63,-.7,;-4.96,.07,;-6.3,-.7,;-2.3,.07,;-.96,-.7,;-.96,-2.24,;-2.3,1.61,;-1.05,2.52,;-1.53,3.98,;-3.07,3.98,;-3.84,5.32,;-3.54,2.52,;1.84,-5.02,;2.74,-3.78,;4.28,-3.78,)|

BDBM418550

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(5.59,-.78,;4.11,-1.18,;3.02,-.09,;3.38,1.44,;2.29,2.53,;.8,2.13,;.4,.64,;-1.09,.24,;1.49,-.45,;1.09,-1.93,;-.37,-2.41,;-.37,-3.95,;-1.71,-4.72,;-3.04,-3.95,;-3.04,-2.41,;-4.37,-1.64,;-4.37,-.1,;-5.71,.67,;-7.04,-.1,;-3.04,.67,;-1.71,-.1,;-1.71,-1.64,;-3.04,2.21,;-1.79,3.12,;-2.27,4.58,;-3.81,4.58,;-4.58,5.91,;-4.29,3.12,;1.09,-4.43,;1.49,-5.91,;2,-3.18,;3.54,-3.18,)|

BDBM418447

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418532

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)n2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM418548

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(c2)C(F)F)n(C)c1=O |(6.3,-1.41,;4.81,-1.8,;3.72,-.71,;4.12,.77,;3.03,1.86,;1.54,1.46,;1.14,-.02,;-.34,-.42,;2.23,-1.11,;1.84,-2.6,;.37,-3.08,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,;-2.3,0,;-.96,-.77,;-.96,-2.31,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-3.07,3.91,;-3.54,2.45,;-3.84,5.25,;-3.07,6.58,;-5.38,5.25,;1.84,-5.09,;2.23,-6.58,;2.74,-3.85,;4.28,-3.85,)|

BDBM418573

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(c2)C2CNC2)n(C)c1=O |(6.3,-1.68,;4.81,-2.08,;3.72,-.99,;4.12,.5,;3.03,1.59,;1.54,1.19,;1.14,-.3,;-.34,-.7,;2.23,-1.39,;1.84,-2.88,;.37,-3.35,;.37,-4.89,;-.96,-5.66,;-2.3,-4.89,;-2.3,-3.35,;-3.63,-2.58,;-3.63,-1.04,;-4.96,-.27,;-6.3,-1.04,;-2.3,-.27,;-.96,-1.04,;-.96,-2.58,;-2.3,1.27,;-1.05,2.17,;-1.53,3.64,;-3.07,3.64,;-3.54,2.17,;-3.84,4.97,;-3.44,6.46,;-4.93,6.86,;-5.32,5.37,;1.84,-5.37,;2.23,-6.86,;2.74,-4.12,;4.28,-4.12,)|

BDBM418539

COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn[nH]2)n(C)c1=O |(6.3,-.07,;4.81,-.47,;3.72,.62,;4.12,2.11,;3.03,3.2,;1.54,2.8,;1.14,1.31,;-.34,.91,;2.23,.22,;1.84,-1.27,;.37,-1.74,;.37,-3.28,;-.96,-4.05,;-2.3,-3.28,;-2.3,-1.74,;-3.63,-.97,;-3.63,.57,;-4.96,1.34,;-6.3,.57,;-2.3,1.34,;-.96,.57,;-.96,-.97,;-2.3,2.88,;-1.05,3.78,;-1.53,5.25,;-3.07,5.25,;-3.54,3.78,;1.84,-3.76,;2.23,-5.25,;2.74,-2.51,;4.28,-2.51,)|

BDBM418464

COc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cn[nH]c2)n(C)c1=O |(6.3,-.07,;4.81,-.47,;3.72,.62,;4.12,2.11,;3.03,3.2,;1.54,2.8,;1.14,1.31,;2.23,.22,;1.84,-1.27,;.37,-1.74,;.37,-3.28,;-.96,-4.05,;-2.3,-3.28,;-2.3,-1.74,;-3.63,-.97,;-3.63,.57,;-4.96,1.34,;-6.3,.57,;-2.3,1.34,;-.96,.57,;-.96,-.97,;-2.3,2.88,;-1.05,3.78,;-1.53,5.25,;-3.07,5.25,;-3.54,3.78,;1.84,-3.76,;2.23,-5.25,;2.74,-2.51,;4.28,-2.51,)|

BDBM418460

COc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|

BDBM245467

COc1ncc(cc1NS(=O)(=O)C1CC1)-c1ccc2ncc3n(C)c(=O)n(C4CC4)c3c2c1

BDBM50577280

CS(=O)(=O)c1ccc(F)c(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50341758

CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc2ccccc2[nH]1

BDBM50341755

CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2[nH]1

BDBM50341756

CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2o1

BDBM489325

CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1

BDBM50341754

CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCCC1

BDBM50341733

CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50577281

CS(=O)(=O)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50341727

CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50341721

CS(=O)(=O)c1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50577285

CS(=O)(=O)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50341745

CS(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50341720

CS(=O)c1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50550672

C[C@@H](CN1CCCC11COC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550670

C[C@@H](CN1CCOC2(CC2)C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550674

C[C@@H](CN1CCOCC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550671

C[C@@H](CN1CCOCC11COC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550668

C[C@@H](CN1C[C@H](C)O[C@H](C)C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550676

C[C@@H](COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)N1CCOCC1 |r|

BDBM50536003

C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)C1CCOCC1 |r|

BDBM50535972

C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccc(Cl)cc1 |r|

BDBM50535968

C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r|

BDBM50535997

C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(O)=O)c1ccc(Cl)cc1 |r|

BDBM50535990

C[C@@H](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c1ccc(Cl)cc1 |r|

BDBM50535989

C[C@@H](Nc1ccnc2ccc(cc12)-c1cccnc1)c1ccc(Cl)cc1 |r|

BDBM606879

C[C@@H]1CCCN([C@@H](Cc2ccccc2)C1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50571476

C[C@@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606956

C[C@@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|

BDBM606969

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC(F)(F)[C@@H]1Cc1ccccc1 |r|

BDBM606959

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1ccc(F)cc1 |r|

BDBM606958

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1cccc(F)c1F |r|

BDBM606960

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1cccc2CCOc12 |r|

BDBM50571469

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1ccccc1 |r|

BDBM606966

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1ccccc1F |r|

BDBM606953

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1cccs1 |r|

BDBM606965

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1ccsc1 |r|

BDBM606950

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC[C@@H]1Cc1cc(C)nc(C)c1 |r|

BDBM606949

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC[C@@H]1Cc1ccc(C)cc1 |r|

BDBM606951

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC[C@@H]1Cc1ccc(Cl)c(Cl)c1 |r|

BDBM606952

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC[C@@H]1Cc1ccc(F)cc1 |r|

BDBM606948

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC[C@@H]1Cc1ccccc1 |r|

BDBM606964

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC[C@H](C)C[C@@H]1Cc1ccc(F)cc1 |r|

BDBM606963

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CCC[C@H](C)C[C@@H]1Cc1ccccc1 |r|

BDBM606967

C[C@@H]1CN(CCO1)c1cc(=O)[nH]c(n1)N1CC[C@@H](F)[C@@H]1Cc1ccccc1 |r|

BDBM50571468

C[C@@H]1CN(CCO1)c1cc([nH]c(=O)c1)N1CCCCC[C@@H]1Cc1ccccc1 |r|

BDBM606888

C[C@@H]1CN(CCO1)c1cc([nH]c(=O)c1)N1[C@@H]2CC[C@@H](C2)[C@@H]1Cc1ccccc1 |r|

BDBM606973

C[C@@H]1CN(C[C@@H](C)O1)c1cc(=O)[nH]c(n1)N1CCCCC[C@@H]1Cc1ccccc1 |r|

BDBM606972

C[C@@H]1CN(C[C@@H](C)O1)c1cc(=O)[nH]c(n1)N1CCC[C@@H]1Cc1ccccc1 |r|

BDBM616166

C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(F)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)|

BDBM616167

C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(c2)C(F)F)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;-.72,-4.78,;-1.62,-6.02,;-1.35,-3.37,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)|

BDBM268079

C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|

BDBM50427326

C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|

BDBM60432

C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r|

BDBM50468003

C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|

BDBM50043411

C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12 |r|

BDBM50043387

C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|

BDBM50043386

C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|

BDBM50043385

C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r|

BDBM50550673

C[C@H](CN1CCOCC1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550669

C[C@H](CN1C[C@H](C)O[C@H](C)C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM50550675

C[C@H](COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)N1CCOCC1 |r|

BDBM50550681

C[C@H](COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)N1C[C@H](C)O[C@H](C)C1 |r|

BDBM50535985

C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)C1CCOCC1 |r|

BDBM50536004

C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r|

BDBM50459008

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(NCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r|

BDBM50459004

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r|

BDBM50459005

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)c1ccn(C)n1 |r|

BDBM50459014

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)c1nn(C)cc1C |r|

BDBM50459015

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)C1CCOCC1 |r|

BDBM50459002

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1ccn(C)n1 |r|

BDBM50459016

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1nn(C)cc1C |r|

BDBM50459017

C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCN(C)C)nc1)C(N)=O)c1ccn(C)n1 |r|

BDBM50550683

C[C@H](O)COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM606937

C[C@H]([C@@H]1CCCN1c1nc(cc(=O)[nH]1)N1CCOCC1)c1ccccc1 |r|

BDBM50565799

C[C@H]1CC(C[C@@H](C)O1)NC(=O)Cc1ccc2Sc3c(Sc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM606928

C[C@H]1CCCN([C@@H](Cc2ccc(F)cc2)C1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606927

C[C@H]1CCCN([C@@H](Cc2ccccc2)C1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606944

C[C@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50059640

C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1

BDBM50145037

C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Sc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 |r|

BDBM50550666

C[C@H]1CN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 |r|

BDBM50520428

C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|

BDBM606905

Cc1cc(C[C@H]2CCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)cc(C)n1 |r|

BDBM50577287

Cc1cc(cnc1F)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50599234

Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CNC[C@H]3F)c2n1 |r|

BDBM413450

Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1

BDBM50208538

Cc1ccc(-c2cc(=O)cc(o2)N2CCOCC2)c2ccccc12

BDBM606856

Cc1ccc(C[C@H]2CCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606904

Cc1ccc(C[C@H]2CCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM50341737

Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50341731

Cc1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50341725

Cc1ccccc1-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM606859

Cc1ccccc1C[C@H]1CCCCCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606903

Cc1ccccc1C[C@H]1CCCCCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50577282

Cc1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50577294

Cc1nc(C2CCOCC2)n2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F

BDBM50436459

Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|

BDBM50577288

Cc1nc2ccc(cc2n2c(nnc12)C1CCOCC1)-c1cncc(c1)C(F)F

BDBM598026

Cl.COc1cc2ncc3n(C)c(=O)n(-c4ncncc4F)c3c2cc1-c1cnn(C)c1 |(-3.39,-3.74,;-5.29,-.18,;-3.96,.59,;-2.62,-.18,;-2.62,-1.72,;-1.29,-2.49,;-1.29,-4.03,;.05,-4.8,;1.38,-4.03,;2.84,-4.5,;3.61,-5.84,;3.75,-3.26,;5.29,-3.26,;2.84,-2.01,;3.24,-.52,;4.73,-.12,;5.13,1.36,;4.04,2.45,;2.55,2.05,;2.15,.57,;.67,.17,;1.38,-2.49,;.05,-1.72,;.05,-.18,;-1.29,.59,;-1.29,2.13,;-.04,3.04,;-.52,4.5,;-2.06,4.5,;-2.83,5.84,;-2.53,3.04,)|

BDBM606906

Clc1ccc(C[C@H]2CCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)cc1Cl |r|

BDBM50577277

Clc1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM606914

Clc1ccccc1C[C@H]1CCCCCN1c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606900

Cn1c(cc(cc1=O)N1CCOCC1)N1CCC[C@@H]1Cc1ccccc1 |r|

BDBM606901

Cn1c(nc(cc1=O)N1CCOCC1)N1CCC[C@@H]1Cc1ccccc1 |r|

BDBM245525

Cn1c2cnc3cc(F)c(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1

BDBM245497

Cn1c2cnc3cc(F)c(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r|

BDBM245496

Cn1c2cnc3cc(F)c(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r|

BDBM245519

Cn1c2cnc3cc(F)c(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1 |r|

BDBM92862

Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1

BDBM245540

Cn1c2cnc3ccc(cc3c2n(C2CC2)c1=O)-c1cnc(N)nc1

BDBM245473

Cn1c2cnc3ccc(cc3c2n(C2CC2)c1=O)-c1cnc2[nH]ccc2c1

BDBM245530

Cn1c2cnc3ccc(cc3c2n(C2CCC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1

BDBM245529

Cn1c2cnc3ccc(cc3c2n(C2CCC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1

BDBM245511

Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCCN2CCC2)nc1

BDBM245502

Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1

BDBM245509

Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1

BDBM50378192

Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCC[N+](C)(C)[O-])nc1

BDBM50378196

Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1cccnc1

BDBM245541

Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1cnc(N)nc1

BDBM245471

Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1cnn(CCCO)c1

BDBM245472

Cn1c2cnc3ccc(cc3c2n(C2CNC2)c1=O)-c1cnc2[nH]ccc2c1

BDBM245528

Cn1c2cnc3ccc(cc3c2n(C2COC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1

BDBM245506

Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCC2)nc1 |r|

BDBM245531

Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r|

BDBM245504

Cn1c2cnc3ccc(cc3c2n([C@@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1 |r|

BDBM245526

Cn1c2cnc3ccc(cc3c2n([C@@H]2CCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1 |r|

BDBM245487

Cn1c2cnc3ccc(cc3c2n([C@@H]2C[C@H](O)C2)c1=O)-c1ccc(OCCCN2CCC2)nc1 |r,wD:13.14,15.17,(10.26,-1.21,;8.77,-.81,;7.63,-1.84,;7.63,-3.38,;6.3,-4.15,;4.96,-3.38,;3.63,-4.15,;2.29,-3.38,;2.29,-1.84,;3.63,-1.07,;4.96,-1.84,;6.3,-1.07,;6.62,.43,;5.53,1.52,;3.99,1.52,;3.99,3.06,;2.9,4.15,;5.53,3.06,;8.15,.6,;8.92,1.93,;.96,-1.07,;.96,.47,;-.37,1.24,;-1.71,.47,;-3.04,1.24,;-4.37,.47,;-5.71,1.24,;-7.04,.47,;-8.37,1.24,;-8.77,2.73,;-10.26,2.33,;-9.86,.84,;-1.71,-1.07,;-.37,-1.84,)|

BDBM245488

Cn1c2cnc3ccc(cc3c2n([C@@H]2C[C@H](O)C2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r,wD:13.14,15.17,(10.5,-1.21,;9.02,-.81,;7.87,-1.84,;7.87,-3.38,;6.54,-4.15,;5.2,-3.38,;3.87,-4.15,;2.54,-3.38,;2.54,-1.84,;3.87,-1.07,;5.2,-1.84,;6.54,-1.07,;6.86,.43,;5.77,1.52,;4.23,1.52,;4.23,3.06,;3.14,4.15,;5.77,3.06,;8.39,.6,;9.16,1.93,;1.2,-1.07,;1.2,.47,;-.13,1.24,;-1.46,.47,;-2.8,1.24,;-4.13,.47,;-5.47,1.24,;-6.8,.47,;-8.13,1.24,;-8.13,2.78,;-9.6,3.25,;-10.5,2.01,;-9.6,.76,;-1.46,-1.07,;-.13,-1.84,)|

BDBM245501

Cn1c2cnc3ccc(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1 |r|

BDBM245533

Cn1c2cnc3ccc(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCC2)nc1F |r|

BDBM245503

Cn1c2cnc3ccc(cc3c2n([C@H]2CCCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1 |r|

BDBM245527

Cn1c2cnc3ccc(cc3c2n([C@H]2CCOC2)c1=O)-c1ccc(OCCCN2CCCCC2)nc1 |r|

BDBM10849

Cn1cnc2n(C)c(=O)n(C)c(=O)c12

BDBM50577292

Cn1nc(C2CCOCC2)c2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F

BDBM50577293

Cn1nc2cnc3ccc(cc3c2c1C1CCOCC1)-c1cncc(c1)C(F)F

BDBM50208546

FC(F)(F)Oc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50208502

FC(F)(F)Oc1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50577278

FC(F)(F)Oc1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50208554

FC(F)(F)c1ccccc1-c1cc(=O)cc(o1)N1CCOCC1

BDBM50577286

FC(F)(F)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50550680

FC(F)CN1CC(C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1

BDBM50550678

FC(F)CN1CC[C@H](C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 |r|

BDBM606882

FC(F)O[C@@H]1CCN([C@H]1Cc1ccccc1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50577276

FC(F)c1ccc(cc1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50577275

FC(F)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50577290

FC(F)c1cncc(c1)-c1cc(F)c2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50577291

FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1

BDBM50577299

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1 |t:20|

BDBM50577300

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20|

BDBM50577297

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20|

BDBM50577296

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1 |t:20|

BDBM50577283

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50577289

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1F

BDBM606876

FC1(F)CCCN([C@@H](Cc2ccccc2)C1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606932

FC1(F)CCCN([C@@H](Cc2ccccc2)C1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50550662

FC1(F)CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C1

BDBM50550660

FC1(F)CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1

BDBM50571460

FC1(F)CCN([C@H]1Cc1ccccc1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606939

FC1(F)CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606887

FC1(F)C[C@H](Cc2ccccc2)N(C1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50550663

FC1CN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C1

BDBM50571461

F[C@@H]1CCN([C@H]1Cc1ccccc1)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606943

F[C@@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606870

Fc1ccc(C[C@H]2CCCCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606921

Fc1ccc(C[C@H]2CCCCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606855

Fc1ccc(C[C@H]2CCCN2c2cc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606908

Fc1ccc(C[C@H]2CCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606916

Fc1ccc(C[C@H]2[C@@H]3C[C@@H]3CN2c2nc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606915

Fc1ccc(C[C@H]2[C@H]3C[C@H]3CN2c2nc(cc(=O)[nH]2)N2CCOCC2)cc1 |r|

BDBM606922

Fc1cccc(C[C@H]2CCCCCN2c2nc(cc(=O)[nH]2)N2CCOCC2)c1F |r|

BDBM606878

Fc1ccccc1C[C@H]1CCCCCN1c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50341738

NC(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

BDBM50535993

NC(=O)c1cnc2c(Cl)cc(cc2c1NC1CCOCC1)-c1cccnc1

BDBM50536002

NC(=O)c1cnc2c(F)cc(cc2c1NC1CCOCC1)-c1cccnc1

BDBM50535992

NC(=O)c1cnc2cc(Cl)c(cc2c1NC1CCOCC1)-c1cccnc1

BDBM50535967

NC(=O)c1cnc2cc(F)c(cc2c1NC1CCOCC1)-c1cccnc1

BDBM50535973

NC(=O)c1cnc2ccc(c(F)c2c1NC1CCOCC1)-c1cccnc1

BDBM50535977

NC(=O)c1cnc2ccc(cc2c1NC1CCCC1)-c1cccnc1

BDBM50535980

NC(=O)c1cnc2ccc(cc2c1NC1CCCCC1)-c1cccnc1

BDBM50378398

NC(=O)c1cnc2ccc(cc2c1NC1CCOCC1)-c1cccnc1

BDBM50535998

NC(=O)c1cnc2ccc(cc2c1NCC1CCCCC1)-c1cccnc1

BDBM50535986

NC(=O)c1cnc2ccc(cc2c1NCC1CCOCC1)-c1cccnc1

BDBM50535987

NC(=O)c1cnc2ccc(cc2c1SC1CCCC1)-c1cccnc1

BDBM50229993

NC(N)=S

BDBM50577279

NS(=O)(=O)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50577284

NS(=O)(=O)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50341209

Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1

BDBM50243950

Nc1ccc(cn1)-c1ccc2ncc3ncc(=O)n(C4CCN(CC#N)CC4)c3c2c1

BDBM50208511

Nc1ccccc1-c1cc(=O)cc(o1)N1CCOCC1

BDBM50145031

Nc1nc(nn1-c1ncnc2cc(Cl)c(N)cc12)-c1ccccn1

BDBM50145032

Nc1nc(nn1-c1ncnc2cc(Cl)c(cc12)[N+]([O-])=O)-c1ccccn1

BDBM50145033

Nc1nc(nn1-c1ncnc2cc(Cl)ccc12)-c1ccc(Cl)cc1

BDBM50145036

Nc1nc(nn1-c1ncnc2cc(Cl)ccc12)-c1ccccc1

BDBM50145035

Nc1nc(nn1-c1ncnc2cc(Cl)ccc12)-c1ccccn1

BDBM50145006

Nc1nc(nn1-c1ncnc2cc(F)c(F)cc12)-c1ccccn1

BDBM50145009

Nc1nc(nn1-c1ncnc2cc(N3CCNCC3)c(cc12)[N+]([O-])=O)-c1ccccn1

BDBM50145007

Nc1nc(nn1-c1ncnc2cc(OC(F)(F)F)ccc12)-c1ccccn1

BDBM50144998

Nc1nc(nn1-c1ncnc2cc(OCC3CC3)c(OCC3CC3)cc12)-c1ccccn1

BDBM50145005

Nc1nc(nn1-c1ncnc2cc3OCCOc3cc12)-c1ccccn1

BDBM50145039

Nc1nc(nn1-c1ncnc2ccccc12)-c1ccc(Cl)cc1

BDBM50145043

Nc1nc(nn1-c1ncnc2ccccc12)-c1ccccc1

BDBM50145042

Nc1nc(nn1-c1ncnc2ccccc12)-c1ccccn1

BDBM50341715

Nc1ncc(Br)nc1C(=O)Nc1ccccc1

BDBM50341736

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(Cl)cc1

BDBM50341734

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(O)cc1

BDBM50341732

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C#N

BDBM50341740

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCC1

BDBM50341742

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCCC1

BDBM50341743

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCCCC1

BDBM50341753

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC1 |r|

BDBM50341730

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(Cl)c1

BDBM50341728

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(O)c1

BDBM50341726

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(c1)C#N

BDBM50341712

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1

BDBM50341719

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1C#N

BDBM50341724

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1Cl

BDBM50341722

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1O

BDBM50341713

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccnc1

BDBM50341718

Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccncc1

BDBM50341717

Nc1ncc(nc1C(=O)Nc1ccccc1)C1=CCCCC1 |t:18|

BDBM50341716

Nc1ncc(nc1C(=O)Nc1ccccc1)C1CCCCC1

BDBM50341714

Nc1nccnc1C(=O)Nc1ccccc1

BDBM50550652

O=C(CN1CCCC1)Nc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1

BDBM50208537

O=C(Nc1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1)OCc1ccccc1

BDBM50550653

O=C(Nc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1)C1CC1

BDBM50208515

O=C(OCc1ccccc1)c1ccc(cc1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50208494

O=C1N(Cc2ccc(cc2)-c2cc(=O)cc(o2)N2CCOCC2)C(=O)c2ccccc12

BDBM50208532

O=C1N(Cc2cccc(c2)-c2cc(=O)cc(o2)N2CCOCC2)C(=O)c2ccccc12

BDBM50375638

O=C1Nc2ccccc2\C1=C/c1ccc[nH]1

BDBM50208503

O=Cc1ccc(-c2cc(=O)cc(o2)N2CCOCC2)c2ccccc12

BDBM50208534

O=Cc1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50208516

O=Cc1sccc1-c1cc(=O)cc(o1)N1CCOCC1

BDBM245508

O=c1[nH]c2cnc3ccc(cc3c2n1C1CCOCC1)-c1ccc(OCCCN2CCCCC2)nc1

BDBM50378399

O=c1[nH]c2cnc3ccc(cc3c2n1C1CCOCC1)-c1cccnc1

BDBM50208519

O=c1cc(\C=C\c2ccccc2)oc(c1)N1CCOCC1

BDBM50571457

O=c1cc(cc([nH]1)N1CCC(Cc2ccccc2)C1)N1CCOCC1

BDBM50571454

O=c1cc(cc([nH]1)N1CCCC1Cc1ccccc1)N1CCOCC1

BDBM606871

O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1cccc2CCOc12)N1CCOCC1 |r|

BDBM606875

O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1cccc2OCOc12)N1CCOCC1 |r|

BDBM606899

O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)C1=CCOCC1 |r,t:24|

BDBM50571459

O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606863

O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccccn1)N1CCOCC1 |r|

BDBM606862

O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1cccs1)N1CCOCC1 |r|

BDBM606873

O=c1cc(cc([nH]1)N1CCCCC[C@@H]1Cc1ccsc1)N1CCOCC1 |r|

BDBM50571458

O=c1cc(cc([nH]1)N1CCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606896

O=c1cc(cc([nH]1)N1CCC[C@@H]1Cc1cccc(OC2CCOCC2)c1)N1CCOCC1 |r|

BDBM50571455

O=c1cc(cc([nH]1)N1CCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM50571456

O=c1cc(cc([nH]1)N1CCC[C@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606890

O=c1cc(cc([nH]1)N1C[C@@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606893

O=c1cc(cc([nH]1)N1C[C@@H]2CC[C@@H](C2)[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606889

O=c1cc(cc([nH]1)N1C[C@H]2CCC[C@H]2[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606894

O=c1cc(cc([nH]1)N1C[C@H]2CC[C@H](C2)[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606945

O=c1cc(nc([nH]1)N1CC2(CC2)C[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606907

O=c1cc(nc([nH]1)N1CCCC1Cn1cnc2ccccc12)N1CCOCC1

BDBM606923

O=c1cc(nc([nH]1)N1CCCCC[C@@H]1Cc1cccc2CCOc12)N1CCOCC1 |r|

BDBM50571467

O=c1cc(nc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606936

O=c1cc(nc([nH]1)N1CCCCC[C@@H]1Cc1ccsc1)N1CCOCC1 |r|

BDBM606911

O=c1cc(nc([nH]1)N1CCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM606902

O=c1cc(nc([nH]1)N1CCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM50159620

O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1

BDBM50208493

O=c1cc(oc(c1)-c1cc2ccccc2o1)N1CCOCC1

BDBM50208507

O=c1cc(oc(c1)-c1cc2ccccc2s1)N1CCOCC1

BDBM50208533

O=c1cc(oc(c1)-c1ccc(OCc2ccccc2)cc1)N1CCOCC1

BDBM50208500

O=c1cc(oc(c1)-c1ccc(cc1)-c1ccccc1)N1CCOCC1

BDBM50208526

O=c1cc(oc(c1)-c1ccc(cc1)C#N)N1CCOCC1

BDBM50208505

O=c1cc(oc(c1)-c1ccc2[nH]ccc2c1)N1CCOCC1

BDBM50208523

O=c1cc(oc(c1)-c1ccc2ccccc2c1)N1CCOCC1

BDBM50208530

O=c1cc(oc(c1)-c1cccc(OCc2ccccc2)c1)N1CCOCC1

BDBM50208522

O=c1cc(oc(c1)-c1cccc(c1)C#N)N1CCOCC1

BDBM50550685

O=c1cc(oc(c1)-c1cccc2Cc3cc(OC4CCOCC4)ccc3Sc12)N1CCOCC1

BDBM50550686

O=c1cc(oc(c1)-c1cccc2Cc3cc(OC4COC4)ccc3Sc12)N1CCOCC1

BDBM50550687

O=c1cc(oc(c1)-c1cccc2Cc3cc(OCC4CCOCC4)ccc3Sc12)N1CCOCC1

BDBM50550661

O=c1cc(oc(c1)-c1cccc2Cc3cc(OCCN4CCCC44CCOC4)ccc3Sc12)N1CCOCC1

BDBM50535970

O=c1cc(oc(c1)-c1cccc2Cc3ccccc3Sc12)N1CCOCC1

BDBM50565798

O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCCCC1

BDBM50208517

O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1

BDBM50208528

O=c1cc(oc(c1)-c1cccc2c1oc1ccccc21)N1CCOCC1

BDBM50208524

O=c1cc(oc(c1)-c1cccc2ccccc12)N1CCOCC1

BDBM50208495

O=c1cc(oc(c1)-c1cccc2cccnc12)N1CCOCC1

BDBM50208496

O=c1cc(oc(c1)-c1ccccc1OCc1ccccc1)N1CCOCC1

BDBM50208521

O=c1cc(oc(c1)-c1ccco1)N1CCOCC1

BDBM50208518

O=c1cc(oc(c1)-c1cccs1)N1CCOCC1

BDBM50208553

O=c1cc(oc(c1)-c1ccsc1)N1CCOCC1

BDBM50208543

O=c1cc(oc(c1)-c1csc2ccccc12)N1CCOCC1

BDBM50156495

O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1

BDBM12915

O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1

BDBM50098126

O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1

BDBM50208540

OC(=O)c1cccc(c1)-c1cc(=O)cc(o1)N1CCOCC1

BDBM50604006

OCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12

BDBM50577273

OCc1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM606942

O[C@@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM606940

O[C@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50571466

Oc1cc(nc(n1)N1CCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r|

BDBM50571465

Oc1cc(nc(n1)N1CCOCC1)N1CCC[C@@H]1Cc1ccccc1 |r|

BDBM50550658

Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1

BDBM598120

[2H]C([2H])([2H])Oc1cnc(c(F)c1)-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(5.95,3.25,;4.86,4.34,;5.26,5.83,;6.35,4.74,;3.38,3.94,;2.98,2.45,;4.07,1.36,;3.67,-.12,;2.18,-.52,;1.09,.57,;-.4,.17,;1.49,2.05,;1.78,-2.01,;.32,-2.49,;.32,-4.03,;-1.02,-4.8,;-2.35,-4.03,;-2.35,-2.49,;-3.68,-1.72,;-3.68,-.18,;-5.02,.59,;-6.35,-.18,;-2.35,.59,;-1.02,-.18,;-1.02,-1.72,;-2.35,2.13,;-1.1,3.04,;-1.58,4.5,;-3.12,4.5,;-3.89,5.84,;-3.6,3.04,;1.78,-4.5,;2.55,-5.84,;2.69,-3.26,;4.23,-3.26,)|

BDBM598115

[2H]C([2H])([2H])Oc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(7.13,-1.48,;5.6,-1.35,;6.48,-.09,;6.25,-2.74,;4.07,-1.21,;2.98,-.12,;3.38,1.36,;2.29,2.45,;.8,2.05,;.4,.57,;-1.09,.17,;1.49,-.52,;1.09,-2.01,;-.37,-2.49,;-.37,-4.03,;-1.71,-4.8,;-3.04,-4.03,;-3.04,-2.49,;-4.37,-1.72,;-4.37,-.18,;-5.71,.59,;-7.04,-.18,;-3.04,.59,;-1.71,-.18,;-1.71,-1.72,;-3.04,2.13,;-4.29,3.04,;-3.81,4.5,;-4.58,5.84,;-2.27,4.5,;-1.79,3.04,;-.46,2.27,;1.09,-4.5,;1.86,-5.84,;2,-3.26,;3.54,-3.26,)|

BDBM598110

[2H]C([2H])([2H])Oc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(7.13,-1.48,;5.6,-1.35,;6.48,-.09,;6.25,-2.74,;4.07,-1.21,;2.98,-.12,;3.38,1.36,;2.29,2.45,;.8,2.05,;.4,.57,;-1.09,.17,;1.49,-.52,;1.09,-2.01,;-.37,-2.49,;-.37,-4.03,;-1.71,-4.8,;-3.04,-4.03,;-3.04,-2.49,;-4.37,-1.72,;-4.37,-.18,;-5.71,.59,;-7.04,-.18,;-3.04,.59,;-1.71,-.18,;-1.71,-1.72,;-3.04,2.13,;-1.79,3.04,;-2.27,4.5,;-3.81,4.5,;-4.58,5.84,;-4.29,3.04,;1.09,-4.5,;1.86,-5.84,;2,-3.26,;3.54,-3.26,)|

BDBM50577298

[H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|

BDBM50550659

[H][C@@]12CN(CCOc3ccc4Sc5c(Cc4c3)cccc5-c3cc(=O)cc(o3)N3CCOCC3)[C@@]([H])(CO1)C2 |r|

BDBM50550667

[H][C@@]12CN(C[C@H](C)Oc3ccc4Sc5c(Cc4c3)cccc5-c3cc(=O)cc(o3)N3CCOCC3)[C@@]([H])(CO1)C2 |r|

BDBM50577295

[H][C@@]12COC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|

BDBM50571463

[H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCOCC1 |r|

BDBM50571473

[H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r|