SMILES for Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]

323 SMILES Strings for Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]

Compound Name

SMILES String

BDBM230983

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1ccnc2cccnc12 |r|

BDBM230984

CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM230985

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnc1F)-c1ncccn1 |r|

BDBM230986

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ncccn1 |r|

BDBM230987

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CCC(=CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,c:19|

BDBM230988

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@@H]1CCC(=CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,c:19|

BDBM230989

CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,w:7.8,wU:17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|

BDBM230990

CC1(C)OC(=O)N(C1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ncccn1 |w:7.8|

BDBM230991

CC1(C)OC(=O)N(C1c1cccnc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|

BDBM230992

CC1(C)OC(=O)N([C@@H]1c1cccnc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM230993

CC1(C)OC(=O)N([C@H]1c1cccnc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM230994

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc2nncn2n1 |r|

BDBM230995

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(Nc2ncccn2)c1 |r,wU:17.22,wD:7.8,14.15,(-7.24,.81,;-5.91,1.58,;-6.68,.25,;-5.91,3.12,;-4.44,3.6,;-3.67,4.93,;-3.54,2.35,;-4.44,1.11,;-4.04,-.38,;-5.13,-1.47,;-4.74,-2.96,;-3.25,-3.35,;-2.16,-2.27,;-2.56,-.78,;-2,2.35,;-1.23,1.02,;.31,1.02,;1.08,2.35,;.31,3.69,;-1.23,3.69,;2.62,2.35,;3.39,3.69,;4.93,3.69,;5.7,2.35,;7.24,2.35,;4.93,1.02,;5.7,-.31,;5.7,-1.85,;4.37,-2.62,;4.37,-4.16,;5.7,-4.93,;7.04,-4.16,;7.04,-2.62,;3.39,1.02,)|

BDBM230996

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc2[nH]c(=O)n(-c3ncccn3)c2c1 |r,wU:17.22,wD:7.8,14.15,(-7.97,.64,;-6.64,1.41,;-7.41,.08,;-6.64,2.95,;-5.17,3.43,;-4.4,4.76,;-4.27,2.18,;-5.17,.93,;-4.78,-.55,;-5.86,-1.64,;-5.47,-3.13,;-3.98,-3.53,;-2.89,-2.44,;-3.29,-.95,;-2.73,2.18,;-1.96,.85,;-.42,.85,;.35,2.18,;-.42,3.51,;-1.96,3.51,;1.89,2.18,;2.66,3.51,;4.2,3.51,;4.97,2.18,;6.48,1.86,;6.64,.33,;7.97,-.44,;5.23,-.3,;4.83,-1.79,;3.35,-2.18,;2.95,-3.67,;4.04,-4.76,;5.52,-4.36,;5.92,-2.87,;4.2,.85,;2.66,.85,)|

BDBM230997

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2cnccc2[nH]c1=O |r|

BDBM230998

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2ccncc2[nH]c1=O |r|

BDBM230999

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2ccccc2oc1=O |r|

BDBM231000

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)N1C(=O)Cc2ccccc12 |r|

BDBM231001

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1c2ccccc2[nH]c1=O |r|

BDBM231002

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1nccc2cccnc12 |r|

BDBM231003

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cnccc1O |r|

BDBM231004

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(nc1)-n1c2ccccc2[nH]c1=O |r|

BDBM231005

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231006

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:14.15,wD:7.8,17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231007

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|

BDBM231008

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|

BDBM231011

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:17.22,wD:14.15,7.8,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)|

BDBM231012

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(Cl)cc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,2.9,;.48,2.9,;1.25,1.56,;.48,.23,;-1.06,.23,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)|

BDBM231013

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccnc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231014

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccnc2[nH]c1=O |r,wU:14.15,wD:7.8,17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231015

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cccc2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,2.9,;-.07,2.9,;.7,1.56,;-.07,.23,;-1.61,.23,;2.24,1.56,;3.01,2.9,;3.01,.23,;4.55,.23,;5.32,1.56,;6.86,1.56,;7.63,.23,;6.86,-1.1,;7.63,-2.44,;6.86,-3.77,;5.32,-3.77,;4.55,-2.44,;5.32,-1.1,)|

BDBM231016

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)C(=O)Nc1cccc2cccnc12 |r,wU:7.8,wD:14.15,17.22,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;3.01,.23,;4.55,.23,;5.32,1.56,;6.86,1.56,;7.63,.23,;6.86,-1.1,;7.63,-2.44,;6.86,-3.77,;5.32,-3.77,;4.55,-2.44,;5.32,-1.1,)|

BDBM231017

CC1(CN([C@H]2CC[C@@H](CC2)n2c3ccccc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:4.3,wD:7.10,(-4.48,-1.5,;-3.71,-.17,;-2.25,-.64,;-1.34,.6,;.2,.6,;.97,1.94,;2.51,1.94,;3.28,.6,;2.51,-.73,;.97,-.73,;4.82,.6,;5.72,-.64,;5.4,-2.15,;6.55,-3.18,;8.01,-2.71,;8.33,-1.2,;7.19,-.17,;7.19,1.37,;5.72,1.85,;4.95,3.18,;-2.25,1.85,;-1.48,3.18,;-3.71,1.37,;-5.25,-.17,;-6.02,1.17,;-7.56,1.17,;-8.33,-.17,;-7.56,-1.5,;-6.02,-1.5,)|

BDBM231018

CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,w:7.8,wU:14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231019

CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,w:7.8,wU:14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231020

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231021

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,wU:14.15,wD:7.8,17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231022

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2n(CC(F)F)c1=O |r,wU:7.8,17.22,wD:14.15,(-8.12,.02,;-6.78,.79,;-7.55,-.54,;-6.78,2.33,;-5.32,2.81,;-4.55,4.14,;-4.41,1.56,;-5.32,.32,;-4.92,-1.17,;-6.01,-2.26,;-5.61,-3.75,;-4.12,-4.14,;-3.03,-3.05,;-3.43,-1.57,;-2.87,1.56,;-2.1,.23,;-.56,.23,;.21,1.56,;-.56,2.9,;-2.1,2.9,;1.75,1.56,;2.65,.32,;2.33,-1.19,;3.48,-2.22,;4.94,-1.74,;5.26,-.24,;4.12,.79,;4.12,2.33,;5.45,3.1,;6.78,2.33,;8.12,3.1,;6.78,.79,;2.65,2.81,;1.88,4.14,)|

BDBM231023

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnn1)-c1ccccn1 |r|

BDBM231024

Cc1ccccc1[C@@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231025

CC1(C)OC(=O)N(C1c1ccccc1F)c1ccc(cc1)C(=O)Nc1cccc2cccnc12

BDBM231026

CCC1(CC)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231027

O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(c2ccccc2)C2(CCC2)OC1=O

BDBM231028

O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(c2ccccc2)C2(CCCC2)OC1=O

BDBM231029

O=C(Nc1cccc2cccnc12)c1ccc(cc1)N1C(c2ccccc2)C2(CCCCC2)OC1=O

BDBM231030

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:7.8,14.15,wD:17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|

BDBM231031

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)N1C(=O)C(F)(F)c2ccccc12 |r,wU:7.8,17.22,wD:14.15,(-6.78,.02,;-5.45,.79,;-6.22,-.54,;-5.45,2.33,;-3.99,2.81,;-3.22,4.14,;-3.08,1.56,;-3.99,.32,;-3.59,-1.17,;-4.68,-2.26,;-4.28,-3.75,;-2.79,-4.14,;-1.7,-3.05,;-2.1,-1.57,;-1.54,1.56,;-.77,.23,;.77,.23,;1.54,1.56,;.77,2.9,;-.77,2.9,;3.08,1.56,;3.99,2.81,;3.22,4.14,;5.45,2.33,;6.78,3.1,;6.22,3.67,;5.45,.79,;6.59,-.24,;6.27,-1.74,;4.81,-2.22,;3.67,-1.19,;3.99,.32,)|

BDBM231032

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccccc2oc1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231033

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncncc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231034

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccc(C#N)c2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-8.18,.02,;-6.84,.79,;-7.61,-.54,;-6.84,2.33,;-5.38,2.81,;-4.61,4.14,;-4.47,1.56,;-5.38,.32,;-4.98,-1.17,;-6.07,-2.26,;-5.67,-3.75,;-4.18,-4.14,;-3.09,-3.05,;-3.49,-1.57,;-2.93,1.56,;-2.16,2.9,;-.62,2.9,;.15,1.56,;-.62,.23,;-2.16,.23,;1.69,1.56,;2.59,.32,;2.27,-1.19,;3.42,-2.22,;4.88,-1.74,;5.2,-.24,;6.67,.24,;8.13,.72,;4.06,.79,;4.06,2.33,;2.59,2.81,;1.82,4.14,)|

BDBM231035

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(ncc2[nH]c1=O)C(F)(F)F |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,;4.51,-3.71,;3.02,-4.1,;4.51,-5.25,;5.84,-4.48,)|

BDBM231036

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(Cl)ncc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;4.51,-3.71,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231037

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(ncc2[nH]c1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-6.69,.55,;-5.36,1.32,;-6.13,-.01,;-5.36,2.86,;-3.89,3.33,;-3.12,4.67,;-2.99,2.09,;-3.89,.84,;-3.49,-.64,;-4.58,-1.73,;-4.18,-3.22,;-2.69,-3.62,;-1.61,-2.53,;-2,-1.04,;-1.45,2.09,;-.68,.76,;.86,.76,;1.63,2.09,;.86,3.42,;-.68,3.42,;3.17,2.09,;4.08,.84,;3.76,-.66,;4.9,-1.69,;6.37,-1.22,;6.69,.29,;5.54,1.32,;5.54,2.86,;4.08,3.33,;3.31,4.67,;4.58,-3.2,;4.26,-4.71,)|

BDBM231038

CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:7.8,18.23,wD:15.16,(-6.69,.77,;-5.36,1.54,;-6.13,.2,;-5.36,3.08,;-3.89,3.55,;-3.12,4.89,;-2.99,2.31,;-3.89,1.06,;-3.49,-.43,;-4.58,-1.51,;-4.18,-3,;-2.69,-3.4,;-2.3,-4.89,;-1.61,-2.31,;-2,-.82,;-1.45,2.31,;-.68,.97,;.86,.97,;1.63,2.31,;.86,3.64,;-.68,3.64,;3.17,2.31,;4.08,1.06,;3.76,-.44,;4.9,-1.47,;6.37,-1,;6.69,.51,;5.54,1.54,;5.54,3.08,;4.08,3.55,;3.31,4.89,)|

BDBM231039

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncc(Br)cc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,.23,;.48,.23,;1.25,1.56,;.48,2.9,;-1.06,2.9,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)|

BDBM231040

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncc(cc2[nH]c1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,.23,;-.06,.23,;.71,1.56,;-.06,2.9,;-1.6,2.9,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|

BDBM231041

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)n1ccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.38,-.02,;-6.04,.75,;-6.81,-.58,;-6.04,2.29,;-4.58,2.77,;-3.81,4.1,;-3.67,1.52,;-4.58,.27,;-4.18,-1.21,;-5.27,-2.3,;-4.87,-3.79,;-3.38,-4.19,;-2.29,-3.1,;-2.69,-1.61,;-2.13,1.52,;-1.36,.19,;.18,.19,;.95,1.52,;.18,2.85,;-1.36,2.85,;2.49,1.52,;3.26,2.85,;2.49,4.19,;4.59,2.08,;5.84,2.99,;7.08,2.08,;6.61,.62,;7.38,-.71,;6.61,-2.05,;5.07,-2.05,;4.3,-.71,;5.07,.62,)|

BDBM50434158

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cc(F)cnc12 |r,wU:17.22,7.8,wD:14.15,(19.91,-58.3,;20.69,-56.97,;19.15,-56.96,;20.69,-55.43,;22.16,-54.95,;22.64,-53.49,;23.07,-56.2,;22.16,-57.45,;22.99,-58.73,;22.28,-60.1,;23.11,-61.4,;24.65,-61.33,;25.35,-59.95,;24.52,-58.66,;24.61,-56.2,;25.38,-57.54,;26.91,-57.54,;27.69,-56.2,;26.91,-54.86,;25.37,-54.87,;29.23,-56.2,;30,-57.53,;29.23,-58.87,;31.54,-57.53,;32.3,-56.2,;33.84,-56.19,;34.62,-57.53,;33.85,-58.86,;34.62,-60.19,;33.86,-61.52,;34.63,-62.85,;32.31,-61.52,;31.54,-60.19,;32.31,-58.86,)|

BDBM50434155

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(C#N)c(F)c2[nH]c1=O |r,wU:17.22,7.8,wD:14.15,(35.11,-25.03,;35.89,-23.7,;34.35,-23.69,;35.89,-22.16,;37.36,-21.69,;37.84,-20.22,;38.27,-22.93,;37.36,-24.18,;38.19,-25.47,;37.48,-26.84,;38.31,-28.14,;39.85,-28.07,;40.55,-26.69,;39.72,-25.4,;39.81,-22.93,;40.58,-24.27,;42.12,-24.27,;42.89,-22.94,;42.11,-21.6,;40.57,-21.6,;44.43,-22.93,;45.33,-24.17,;45.01,-25.67,;46.16,-26.7,;47.63,-26.22,;48.78,-27.24,;49.93,-28.27,;47.94,-24.72,;49.4,-24.24,;46.8,-23.7,;46.8,-22.16,;45.33,-21.68,;44.85,-20.22,)|

BDBM231042

CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:7.8,18.23,wD:15.16,(-7.62,.77,;-6.28,1.54,;-7.05,.2,;-6.28,3.08,;-4.82,3.55,;-4.05,4.89,;-3.91,2.31,;-4.82,1.06,;-4.42,-.43,;-5.51,-1.51,;-5.11,-3,;-3.62,-3.4,;-3.23,-4.89,;-2.53,-2.31,;-2.93,-.82,;-2.37,2.31,;-1.6,.97,;-.06,.97,;.71,2.31,;-.06,3.64,;-1.6,3.64,;2.25,2.31,;3.15,1.06,;2.83,-.44,;3.98,-1.47,;5.44,-1,;5.76,.51,;4.62,1.54,;4.62,3.08,;3.15,3.55,;2.38,4.89,;6.58,-2.03,;7.73,-3.06,)|

BDBM231043

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)N1Cc2cc(ccc2NC1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-8.01,-.02,;-6.68,.75,;-7.45,-.58,;-6.68,2.29,;-5.21,2.77,;-4.44,4.1,;-4.31,1.52,;-5.21,.27,;-4.81,-1.21,;-5.9,-2.3,;-5.51,-3.79,;-4.02,-4.19,;-2.93,-3.1,;-3.33,-1.61,;-2.77,1.52,;-2,.19,;-.46,.19,;.31,1.52,;-.46,2.85,;-2,2.85,;1.85,1.52,;2.62,.19,;4.16,.19,;4.93,-1.15,;6.47,-1.15,;7.24,.19,;6.47,1.52,;4.93,1.52,;4.16,2.85,;2.62,2.85,;1.85,4.19,;7.24,-2.48,;8.01,-3.81,)|

BDBM231044

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc2C(=O)N(CCc2c1)c1cccc2cccnc12 |r|

BDBM231045

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncc(F)cn1 |r|

BDBM50444585

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncccn1 |r|

BDBM231046

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1nnc2cc(ccn12)-c1cncnc1 |r|

BDBM231047

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1nnc2cc(ccn12)C#N |r|

BDBM231048

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1nnc2ccc(Cl)nn12 |r|

BDBM231049

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1nnc2ccccc12 |r|

BDBM231050

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)nc1 |r|

BDBM231051

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccn2c(Nc3ccnc4cccnc34)nnc2c1 |r|

BDBM231052

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:7.8,wD:14.15,17.22,(-6.5,5.39,;-5.16,4.62,;-6.5,3.85,;-4.26,5.87,;-2.79,5.39,;-1.46,6.16,;-2.79,3.85,;-4.26,3.37,;-4.66,1.89,;-6.14,1.49,;-6.54,0,;-5.45,-1.09,;-3.97,-.69,;-3.57,.8,;-1.46,3.08,;-1.46,1.54,;-.13,.77,;1.21,1.54,;1.21,3.08,;-.13,3.85,;2.54,.77,;3.88,1.54,;5.21,.77,;5.21,-.77,;6.54,-1.54,;3.88,-1.54,;2.54,-.77,;3.88,-3.08,;2.54,-3.85,;2.54,-5.39,;3.88,-6.16,;5.21,-5.39,;5.21,-3.85,)|

BDBM50444583

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)|

BDBM231053

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,wD:7.8,14.15,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)|

BDBM231054

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc(N)c(c1)C1=NCCCN1 |r,wU:7.8,wD:14.15,17.22,t:31,(-7.63,.02,;-6.29,.79,;-6.29,-.75,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)|

BDBM231055

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C1=NCCCN1 |r,wU:7.8,17.22,wD:14.15,t:31,(-7.63,.02,;-6.29,.79,;-6.29,-.75,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)|

BDBM50434157

CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C

BDBM231056

CC1(C)OC(=O)N([C@@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231057

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1cc([nH]c1=O)-c1ccccc1 |r|

BDBM231058

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|

BDBM231059

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,wU:17.22,wD:7.8,14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|

BDBM231060

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cnccc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)|

BDBM231061

CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:14.15,wD:17.22,(-7.95,.02,;-6.62,.79,;-7.39,-.54,;-6.62,2.33,;-5.15,2.81,;-4.38,4.14,;-4.25,1.56,;-5.15,.32,;-4.75,-1.17,;-5.84,-2.26,;-5.44,-3.75,;-3.96,-4.14,;-2.87,-3.05,;-3.26,-1.57,;-2.71,1.56,;-1.94,2.9,;-.4,2.9,;.37,1.56,;-.4,.23,;-1.94,.23,;1.91,1.56,;2.82,2.81,;4.28,2.33,;4.28,.79,;2.82,.32,;5.37,-.29,;4.97,-1.78,;6.06,-2.87,;7.55,-2.47,;7.95,-.98,;6.86,.1,)|

BDBM231062

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:7.8,14.15,wD:17.22,(-7.95,.02,;-6.62,.79,;-7.39,-.54,;-6.62,2.33,;-5.15,2.81,;-4.38,4.14,;-4.25,1.56,;-5.15,.32,;-4.75,-1.17,;-5.84,-2.26,;-5.44,-3.75,;-3.96,-4.14,;-2.87,-3.05,;-3.26,-1.57,;-2.71,1.56,;-1.94,2.9,;-.4,2.9,;.37,1.56,;-.4,.23,;-1.94,.23,;1.91,1.56,;2.82,2.81,;4.28,2.33,;4.28,.79,;2.82,.32,;5.37,-.29,;4.97,-1.78,;6.06,-2.87,;7.55,-2.47,;7.95,-.98,;6.86,.1,)|

BDBM231063

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:14.15,wD:7.8,17.22,(-7.95,.02,;-6.62,.79,;-7.39,-.54,;-6.62,2.33,;-5.15,2.81,;-4.38,4.14,;-4.25,1.56,;-5.15,.32,;-4.75,-1.17,;-5.84,-2.26,;-5.44,-3.75,;-3.96,-4.14,;-2.87,-3.05,;-3.26,-1.57,;-2.71,1.56,;-1.94,2.9,;-.4,2.9,;.37,1.56,;-.4,.23,;-1.94,.23,;1.91,1.56,;2.82,2.81,;4.28,2.33,;4.28,.79,;2.82,.32,;5.37,-.29,;4.97,-1.78,;6.06,-2.87,;7.55,-2.47,;7.95,-.98,;6.86,.1,)|

BDBM231164

CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CCc(cC1)-c1cc2ccncc2[nH]c1=O |r|

BDBM231065

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc2ccncc2[nH]c1=O |r|

BDBM231066

CC1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:4.3,wD:7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)|

BDBM231067

C[C@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:4.3,wD:1.0,7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)|

BDBM231068

C[C@@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:1.0,4.3,wD:7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)|

BDBM231069

CC1(CN([C@H]2CC[C@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,7.10,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)|

BDBM231070

C[C@]1(CN([C@H]2CC[C@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,7.10,wD:1.0,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)|

BDBM231071

C[C@@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,1.0,wD:7.10,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)|

BDBM50444584

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C#N |r,wU:17.22,7.8,wD:14.15,(26.78,-18.45,;28.12,-19.21,;26.8,-19.99,;29.01,-17.95,;30.48,-18.41,;31.72,-17.5,;30.5,-19.95,;29.04,-20.44,;28.31,-21.8,;26.77,-21.84,;26.04,-23.2,;26.85,-24.51,;28.4,-24.45,;29.12,-23.1,;31.75,-20.85,;31.74,-22.4,;33.08,-23.17,;34.42,-22.4,;34.41,-20.85,;33.08,-20.08,;35.74,-23.16,;37.07,-22.39,;38.4,-23.15,;38.41,-24.7,;39.75,-25.47,;37.08,-25.47,;35.74,-24.7,;37.09,-27.01,;37.09,-28.55,)|

BDBM231072

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1c[nH]c(=O)c(c1)-c1ncccn1 |r,wU:7.8,wD:14.15,17.22,(-6.5,5.39,;-5.16,4.62,;-6.5,3.85,;-4.26,5.87,;-2.79,5.39,;-1.46,6.16,;-2.79,3.85,;-4.26,3.37,;-4.66,1.89,;-6.14,1.49,;-6.54,0,;-5.45,-1.09,;-3.97,-.69,;-3.57,.8,;-1.46,3.08,;-1.46,1.54,;-.13,.77,;1.21,1.54,;1.21,3.08,;-.13,3.85,;2.54,.77,;3.88,1.54,;5.21,.77,;5.21,-.77,;6.54,-1.54,;3.88,-1.54,;2.54,-.77,;3.88,-3.08,;2.54,-3.85,;2.54,-5.39,;3.88,-6.16,;5.21,-5.39,;5.21,-3.85,)|

BDBM231073

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1c[nH]c(=O)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(-6.5,5.39,;-5.16,4.62,;-6.5,3.85,;-4.26,5.87,;-2.79,5.39,;-1.46,6.16,;-2.79,3.85,;-4.26,3.37,;-4.66,1.89,;-6.14,1.49,;-6.54,0,;-5.45,-1.09,;-3.97,-.69,;-3.57,.8,;-1.46,3.08,;-1.46,1.54,;-.13,.77,;1.21,1.54,;1.21,3.08,;-.13,3.85,;2.54,.77,;3.88,1.54,;5.21,.77,;5.21,-.77,;6.54,-1.54,;3.88,-1.54,;2.54,-.77,;3.88,-3.08,;2.54,-3.85,;2.54,-5.39,;3.88,-6.16,;5.21,-5.39,;5.21,-3.85,)|

BDBM231074

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc2[nH]c(=O)n(-c3ncccn3)c2c1 |r,wU:7.8,17.22,wD:14.15,(-7.97,.64,;-6.64,1.41,;-7.41,.08,;-6.64,2.95,;-5.17,3.43,;-4.4,4.76,;-4.27,2.18,;-5.17,.93,;-4.78,-.55,;-5.86,-1.64,;-5.47,-3.13,;-3.98,-3.53,;-2.89,-2.44,;-3.29,-.95,;-2.73,2.18,;-1.96,.85,;-.42,.85,;.35,2.18,;-.42,3.51,;-1.96,3.51,;1.89,2.18,;2.66,3.51,;4.2,3.51,;4.97,2.18,;6.48,1.86,;6.64,.33,;7.97,-.44,;5.23,-.3,;4.83,-1.79,;3.35,-2.18,;2.95,-3.67,;4.04,-4.76,;5.52,-4.36,;5.92,-2.87,;4.2,.85,;2.66,.85,)|

BDBM231075

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1nccc(n1)C(N)=N |r,wU:17.22,7.8,wD:14.15,(-7.16,6.16,;-5.83,5.39,;-7.16,4.62,;-4.92,6.64,;-3.46,6.16,;-2.13,6.93,;-3.46,4.62,;-4.92,4.14,;-5.32,2.66,;-6.81,2.26,;-7.21,.77,;-6.12,-.32,;-4.63,.08,;-4.23,1.57,;-2.13,3.85,;-2.13,2.31,;-.79,1.54,;.54,2.31,;.54,3.85,;-.79,4.62,;1.87,1.54,;3.21,2.31,;4.54,1.54,;4.54,,;5.88,-.77,;3.21,-.77,;1.87,,;3.21,-2.31,;1.87,-3.08,;1.87,-4.62,;3.21,-5.39,;4.54,-4.62,;4.54,-3.08,;5.88,-5.39,;7.21,-4.62,;5.88,-6.93,)|

BDBM231076

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1cc(Cl)cnn1 |r|

BDBM231077

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1cnnc(Cl)c1 |r|

BDBM231078

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1nccc(n1)C#N |r|

BDBM50434156

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)c(cc2[nH]c1=O)C#N |r,wU:17.22,7.8,wD:14.15,(18.3,-25.15,;19.08,-23.82,;17.54,-23.81,;19.09,-22.28,;20.55,-21.8,;21.03,-20.34,;21.46,-23.05,;20.55,-24.3,;21.38,-25.59,;20.67,-26.95,;21.5,-28.25,;23.04,-28.18,;23.75,-26.81,;22.91,-25.51,;23,-23.05,;23.77,-24.39,;25.31,-24.39,;26.08,-23.05,;25.3,-21.71,;23.76,-21.72,;27.62,-23.05,;28.53,-24.29,;28.21,-25.79,;29.35,-26.82,;29.03,-28.33,;30.82,-26.34,;31.13,-24.84,;29.99,-23.81,;29.99,-22.27,;28.52,-21.8,;28.04,-20.33,;31.97,-27.36,;33.12,-28.39,)|

BDBM231079

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)cc(F)c2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.43,.02,;-6.1,.79,;-6.87,-.54,;-6.1,2.33,;-4.63,2.81,;-3.86,4.14,;-3.73,1.56,;-4.63,.32,;-4.24,-1.17,;-5.32,-2.26,;-4.93,-3.75,;-3.44,-4.14,;-2.35,-3.05,;-2.75,-1.57,;-2.19,1.56,;-1.42,2.9,;.12,2.9,;.89,1.56,;.12,.23,;-1.42,.23,;2.43,1.56,;3.34,.32,;3.02,-1.19,;4.16,-2.22,;3.76,-3.71,;5.63,-1.74,;5.95,-.24,;7.43,.16,;4.8,.79,;4.8,2.33,;3.34,2.81,;2.57,4.14,)|

BDBM231080

COc1cccc(c1)C1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:8.8|

BDBM231081

COc1cccc(c1)[C@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231082

COc1cccc(c1)[C@@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231083

CC1(C)OC(=O)N(C1c1cccc(F)c1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|

BDBM231084

CC1(C)OC(=O)N([C@@H]1c1cccc(F)c1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231085

CC1(C)OC(=O)N([C@H]1c1cccc(F)c1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231086

COc1ccc(cc1)C1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:8.8|

BDBM231087

COc1ccc(cc1)[C@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231088

COc1ccc(cc1)[C@@H]1N(C(=O)OC1(C)C)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231089

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnc1F)-c1ccccn1 |r|

BDBM231090

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ccccn1 |r|

BDBM231091

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1ncco1 |r|

BDBM231092

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(cnc1F)-c1cccnc1 |r|

BDBM231093

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1cccnc1 |r|

BDBM231094

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1ccc[nH]c1=O |r|

BDBM231095

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(c[nH]c1=O)-c1nccc(n1)C#N |r|

BDBM231096

CC1(C)OC(=O)N(C1c1ccccn1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|

BDBM231097

CC1(C)OC(=O)N([C@@H]1c1ccccn1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231098

CC1(C)OC(=O)N([C@H]1c1ccccn1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231099

CC1(C)OC(=O)N(C1c1ccncc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |w:7.8|

BDBM231100

CC1(C)OC(=O)N([C@@H]1c1ccncc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231101

CC1(C)OC(=O)N([C@H]1c1ccncc1)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM231102

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-n1cc(ccc1=O)-c1ncccn1 |r|

BDBM231103

Cc1cc(ccc1C(=O)Nc1ccnc2cccnc12)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r|

BDBM231104

CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc(ncc1F)-c1ncccn1 |r|

BDBM231105

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)C1=NCCCN1 |r,wU:7.8,17.22,wD:14.15,t:31,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)|

BDBM231106

CC1(C)OC(=O)N(C1c1ccccc1)C1CCc(cC1)-c1cnc(N)c(c1)-c1ncccn1

BDBM231108

CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cccnc1 |r,wU:7.8,17.22,(-6.47,.02,;-5.14,.79,;-5.91,-.54,;-5.14,2.33,;-3.67,2.81,;-2.9,4.14,;-2.77,1.56,;-3.67,.32,;-3.27,-1.17,;-4.36,-2.26,;-3.97,-3.75,;-2.48,-4.14,;-1.39,-3.05,;-1.79,-1.57,;-1.23,1.56,;-.46,.23,;1.08,.23,;1.85,1.56,;1.08,2.9,;-.46,2.9,;3.39,1.56,;4.16,.23,;5.7,.23,;6.47,1.56,;5.7,2.9,;4.16,2.9,)|

BDBM231109

Cc1ccc(cn1)[C@H]1CCC(CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:14.16,wD:7.7,(7.3,1.56,;5.76,1.56,;4.93,.23,;3.39,.23,;2.62,1.56,;3.39,2.9,;4.93,2.9,;1.08,1.56,;.31,2.9,;-1.23,2.9,;-2,1.56,;-1.23,.23,;.31,.23,;-3.54,1.56,;-4.44,.32,;-4.04,-1.17,;-5.13,-2.26,;-4.74,-3.75,;-3.25,-4.14,;-2.16,-3.05,;-2.56,-1.57,;-5.91,.79,;-7.24,.02,;-6.68,-.54,;-5.91,2.33,;-4.44,2.81,;-3.67,4.14,)|

BDBM231110

Cc1ccc(cn1)[C@H]1CCC(CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:14.16,7.7,(7.3,1.56,;5.76,1.56,;4.93,.23,;3.39,.23,;2.62,1.56,;3.39,2.9,;4.93,2.9,;1.08,1.56,;.31,.23,;-1.23,.23,;-2,1.56,;-1.23,2.9,;.31,2.9,;-3.54,1.56,;-4.44,.32,;-4.04,-1.17,;-5.13,-2.26,;-4.74,-3.75,;-3.25,-4.14,;-2.16,-3.05,;-2.56,-1.57,;-5.91,.79,;-7.24,.02,;-6.68,-.54,;-5.91,2.33,;-4.44,2.81,;-3.67,4.14,)|

BDBM231111

CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cnc2[nH]ccc2c1 |r,wU:7.8,wD:17.22,(-7.31,.02,;-5.97,.79,;-6.74,-.54,;-5.97,2.33,;-4.51,2.81,;-3.74,4.14,;-3.6,1.56,;-4.51,.32,;-4.11,-1.17,;-5.2,-2.26,;-4.8,-3.75,;-3.31,-4.14,;-2.22,-3.05,;-2.62,-1.57,;-2.06,1.56,;-1.29,2.9,;.25,2.9,;1.02,1.56,;.25,.23,;-1.29,.23,;2.56,1.56,;3.33,2.9,;4.87,2.9,;5.64,1.56,;7.14,1.24,;7.31,-.29,;5.9,-.91,;4.87,.23,;3.33,.23,)|

BDBM231112

CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cnc2[nH]ccc2c1 |r,wU:7.8,17.22,(-7.31,.02,;-5.97,.79,;-6.74,-.54,;-5.97,2.33,;-4.51,2.81,;-3.74,4.14,;-3.6,1.56,;-4.51,.32,;-4.11,-1.17,;-5.2,-2.26,;-4.8,-3.75,;-3.31,-4.14,;-2.22,-3.05,;-2.62,-1.57,;-2.06,1.56,;-1.29,.23,;.25,.23,;1.02,1.56,;.25,2.9,;-1.29,2.9,;2.56,1.56,;3.33,2.9,;4.87,2.9,;5.64,1.56,;7.14,1.24,;7.31,-.29,;5.9,-.91,;4.87,.23,;3.33,.23,)|

BDBM231113

CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cc2ccncc2[nH]c1=O |r,wU:7.8,wD:17.22,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,2.85,;-.07,2.85,;.7,1.52,;-.07,.19,;-1.61,.19,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,-1.15,;6.86,-1.15,;7.63,.19,;6.86,1.52,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,)|

BDBM231114

CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cc2ccncc2[nH]c1=O |r,wU:7.8,17.22,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,-1.15,;6.86,-1.15,;7.63,.19,;6.86,1.52,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,)|

BDBM231115

CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CCN(CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r|

BDBM231116

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:17.22,7.8,wD:14.15,(-7.16,3.08,;-5.83,2.31,;-7.16,1.54,;-4.92,3.56,;-3.46,3.08,;-2.13,3.85,;-3.46,1.54,;-4.92,1.06,;-5.32,-.42,;-6.81,-.82,;-7.21,-2.31,;-6.12,-3.4,;-4.63,-3,;-4.23,-1.51,;-2.13,.77,;-2.13,-.77,;-.79,-1.54,;.54,-.77,;.54,.77,;-.79,1.54,;1.87,-1.54,;3.21,-.77,;3.21,.77,;4.54,-1.54,;4.54,-3.08,;5.88,-3.85,;7.21,-3.08,;7.21,-1.54,;5.88,-.77,)|

BDBM231117

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1 |r,wU:17.22,7.8,wD:14.15,(-7.16,3.08,;-5.83,2.31,;-7.16,1.54,;-4.92,3.56,;-3.46,3.08,;-2.13,3.85,;-3.46,1.54,;-4.92,1.06,;-5.32,-.42,;-6.81,-.82,;-7.21,-2.31,;-6.12,-3.4,;-4.63,-3,;-4.23,-1.51,;-2.13,.77,;-2.13,-.77,;-.79,-1.54,;.54,-.77,;.54,.77,;-.79,1.54,;1.87,-1.54,;3.21,-.77,;3.21,.77,;4.54,-1.54,;4.54,-3.08,;5.88,-3.85,;7.21,-3.08,;7.21,-1.54,;5.88,-.77,)|

BDBM231118

Cn1cc(C(=O)N[C@H]2CC[C@@H](CC2)N2[C@@H](c3ccccc3)C(C)(C)OC2=O)c2ccccc12 |r,wU:14.15,7.6,wD:10.13,(7.94,4.29,;6.6,3.52,;5.14,4,;4.23,2.75,;2.69,2.75,;1.93,4.08,;1.93,1.42,;.38,1.42,;-.38,.08,;-1.93,.08,;-2.69,1.42,;-1.93,2.75,;-.38,2.75,;-4.23,1.42,;-5.14,.17,;-4.74,-1.32,;-5.83,-2.41,;-5.43,-3.89,;-3.94,-4.29,;-2.86,-3.2,;-3.25,-1.71,;-6.6,.65,;-7.94,-.12,;-7.37,-.69,;-6.6,2.19,;-5.14,2.66,;-4.37,4,;5.14,1.51,;4.82,-0,;5.96,-1.03,;7.43,-.56,;7.75,.95,;6.6,1.98,)|

BDBM231119

Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.21,wD:20.23,13.14,(6.09,-2.39,;6.09,-.85,;4.84,.06,;5.32,1.52,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;7.33,.06,;3.01,2.85,;2.24,4.19,;2.24,1.52,;.7,1.52,;-.07,2.85,;-1.61,2.85,;-2.38,1.52,;-1.61,.19,;-.07,.19,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-6.29,.75,;-7.63,-.02,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,)|

BDBM231120

Cn1cc2cccc(C(=O)N[C@H]3CC[C@@H](CC3)N3[C@@H](c4ccccc4)C(C)(C)OC3=O)c2n1 |r,wU:18.19,11.10,wD:14.17,(6.09,-2.39,;6.09,-.85,;7.33,.06,;6.86,1.52,;7.63,2.85,;6.86,4.19,;5.32,4.19,;4.55,2.85,;3.01,2.85,;2.24,4.19,;2.24,1.52,;.7,1.52,;-.07,.19,;-1.61,.19,;-2.38,1.52,;-1.61,2.85,;-.07,2.85,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-6.29,.75,;-7.63,-.02,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;5.32,1.52,;4.84,.06,)|

BDBM231121

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.84,-.02,;-6.51,.75,;-7.28,-.58,;-6.51,2.29,;-5.05,2.77,;-4.28,4.1,;-4.14,1.52,;-5.05,.27,;-4.65,-1.21,;-5.74,-2.3,;-5.34,-3.79,;-3.85,-4.19,;-2.76,-3.1,;-3.16,-1.61,;-2.6,1.52,;-1.83,2.85,;-.29,2.85,;.48,1.52,;-.29,.19,;-1.83,.19,;2.02,1.52,;2.79,2.85,;2.02,4.19,;4.33,2.85,;5.23,4.1,;6.7,3.62,;6.7,2.08,;7.84,1.05,;7.52,-.45,;6.06,-.93,;4.91,.1,;5.23,1.61,)|

BDBM231122

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2cc[nH]c2n1 |r,wU:7.8,17.22,wD:14.15,(-8.46,-.59,;-7.13,.18,;-7.9,-1.16,;-7.13,1.72,;-5.66,2.19,;-4.89,3.53,;-4.76,.95,;-5.66,-.3,;-5.26,-1.79,;-6.35,-2.87,;-5.95,-4.36,;-4.47,-4.76,;-3.38,-3.67,;-3.78,-2.18,;-3.22,.95,;-2.45,-.39,;-.91,-.39,;-.14,.95,;-.91,2.28,;-2.45,2.28,;1.4,.95,;2.17,2.28,;1.4,3.62,;3.71,2.28,;4.48,.95,;6.02,.95,;6.79,2.28,;8.3,2.6,;8.46,4.13,;7.05,4.76,;6.02,3.62,;4.48,3.62,)|

BDBM231123

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-8.78,-.02,;-7.45,.75,;-8.22,-.58,;-7.45,2.29,;-5.98,2.77,;-5.21,4.1,;-5.08,1.52,;-5.98,.27,;-5.58,-1.21,;-6.67,-2.3,;-6.28,-3.79,;-4.79,-4.19,;-3.7,-3.1,;-4.1,-1.61,;-3.54,1.52,;-2.77,.19,;-1.23,.19,;-.46,1.52,;-1.23,2.85,;-2.77,2.85,;1.08,1.52,;1.85,2.85,;1.08,4.19,;3.39,2.85,;4.16,4.19,;5.7,4.19,;6.47,2.85,;5.7,1.52,;4.16,1.52,;6.47,.19,;5.7,-1.15,;6.47,-2.48,;8.01,-2.48,;8.78,-1.15,;8.01,.19,)|

BDBM231124

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccncc2[nH]1 |r,wU:7.8,17.22,wD:14.15,(-8.61,-.12,;-7.27,.65,;-8.04,-.69,;-7.27,2.19,;-5.81,2.66,;-5.04,4,;-4.9,1.42,;-5.81,.17,;-5.41,-1.32,;-6.5,-2.41,;-6.1,-3.89,;-4.61,-4.29,;-3.52,-3.2,;-3.92,-1.71,;-3.36,1.42,;-2.59,.08,;-1.05,.08,;-.28,1.42,;-1.05,2.75,;-2.59,2.75,;1.26,1.42,;2.03,2.75,;1.26,4.08,;3.57,2.75,;4.47,4,;5.94,3.52,;7.27,4.29,;8.61,3.52,;8.61,1.98,;7.27,1.21,;5.94,1.98,;4.47,1.51,)|

BDBM231125

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2scnc2c1 |r,wU:7.8,14.15,wD:17.22,(-8.46,-.59,;-7.13,.18,;-7.9,-1.16,;-7.13,1.72,;-5.66,2.19,;-4.89,3.53,;-4.76,.95,;-5.66,-.3,;-5.26,-1.79,;-6.35,-2.87,;-5.95,-4.36,;-4.47,-4.76,;-3.38,-3.67,;-3.78,-2.18,;-3.22,.95,;-2.45,2.28,;-.91,2.28,;-.14,.95,;-.91,-.39,;-2.45,-.39,;1.4,.95,;2.17,2.28,;1.4,3.62,;3.71,2.28,;4.48,.95,;6.02,.95,;6.79,2.28,;8.3,2.6,;8.46,4.13,;7.05,4.76,;6.02,3.62,;4.48,3.62,)|

BDBM231126

Cn1cncc1C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.18,9.9,wD:12.16,(5.04,4.81,;5.81,3.48,;7.27,3,;7.27,1.46,;5.81,.99,;4.9,2.23,;3.36,2.23,;2.59,3.56,;2.59,.9,;1.05,.9,;.28,-.44,;-1.26,-.44,;-2.03,.9,;-1.26,2.23,;.28,2.23,;-3.57,.9,;-4.47,-.35,;-4.07,-1.84,;-5.16,-2.92,;-4.77,-4.41,;-3.28,-4.81,;-2.19,-3.72,;-2.59,-2.23,;-5.94,.13,;-7.27,-.64,;-6.71,-1.21,;-5.94,1.67,;-4.47,2.14,;-3.7,3.48,)|

BDBM231127

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2[nH]ccc12 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,2.85,;2.24,4.19,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;7.33,.06,;6.09,-.85,;4.84,.06,;5.32,1.52,)|

BDBM231128

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2[nH]ncc12 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,2.85,;2.24,4.19,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;7.33,.06,;6.09,-.85,;4.84,.06,;5.32,1.52,)|

BDBM231129

CC(C)c1cc([nH]n1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:18.20,11.11,wD:14.18,(8.61,2.08,;7.27,1.31,;7.27,-.23,;5.94,2.08,;4.47,1.61,;3.57,2.85,;4.47,4.1,;5.94,3.62,;2.03,2.85,;1.26,4.19,;1.26,1.52,;-.28,1.52,;-1.05,.19,;-2.59,.19,;-3.36,1.52,;-2.59,2.85,;-1.05,2.85,;-4.9,1.52,;-5.81,.27,;-5.41,-1.21,;-6.5,-2.3,;-6.1,-3.79,;-4.61,-4.19,;-3.52,-3.1,;-3.92,-1.61,;-7.27,.75,;-8.61,-.02,;-8.04,-.58,;-7.27,2.29,;-5.81,2.77,;-5.04,4.1,)|

BDBM231130

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2ccccc2c1 |r,wU:14.15,wD:7.8,17.22,(-8.78,-.02,;-7.45,.75,;-8.22,-.58,;-7.45,2.29,;-5.98,2.77,;-5.21,4.1,;-5.08,1.52,;-5.98,.27,;-5.58,-1.21,;-6.67,-2.3,;-6.28,-3.79,;-4.79,-4.19,;-3.7,-3.1,;-4.1,-1.61,;-3.54,1.52,;-2.77,2.85,;-1.23,2.85,;-.46,1.52,;-1.23,.19,;-2.77,.19,;1.08,1.52,;1.85,2.85,;1.08,4.19,;3.39,2.85,;4.16,4.19,;5.7,4.19,;6.47,2.85,;8.01,2.85,;8.78,1.52,;8.01,.19,;6.47,.19,;5.7,1.52,;4.16,1.52,)|

BDBM231131

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|

BDBM231132

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1nc2ccccc2[nH]1 |r,wU:7.8,17.22,wD:14.15,(-8.61,-.12,;-7.27,.65,;-8.04,-.69,;-7.27,2.19,;-5.81,2.66,;-5.04,4,;-4.9,1.42,;-5.81,.17,;-5.41,-1.32,;-6.5,-2.41,;-6.1,-3.89,;-4.61,-4.29,;-3.52,-3.2,;-3.92,-1.71,;-3.36,1.42,;-2.59,.08,;-1.05,.08,;-.28,1.42,;-1.05,2.75,;-2.59,2.75,;1.26,1.42,;2.03,2.75,;1.26,4.08,;3.57,2.75,;4.47,4,;5.94,3.52,;7.27,4.29,;8.61,3.52,;8.61,1.98,;7.27,1.21,;5.94,1.98,;4.47,1.51,)|

BDBM231133

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc[nH]1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,1.61,;7.27,2.08,;7.27,3.62,;5.81,4.1,)|

BDBM231134

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nccn2c1 |r,wU:7.8,17.22,wD:14.15,(-8.46,-.02,;-7.13,.75,;-7.9,-.58,;-7.13,2.29,;-5.66,2.77,;-4.89,4.1,;-4.76,1.52,;-5.66,.27,;-5.26,-1.21,;-6.35,-2.3,;-5.95,-3.79,;-4.47,-4.19,;-3.38,-3.1,;-3.78,-1.61,;-3.22,1.52,;-2.45,.19,;-.91,.19,;-.14,1.52,;-.91,2.85,;-2.45,2.85,;1.4,1.52,;2.17,2.85,;1.4,4.19,;3.71,2.85,;4.48,4.19,;6.02,4.19,;6.79,2.85,;8.3,2.53,;8.46,1,;7.05,.38,;6.02,1.52,;4.48,1.52,)|

BDBM231135

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1nccs1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,1.61,;7.27,2.08,;7.27,3.62,;5.81,4.1,)|

BDBM231136

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnn(c1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|

BDBM231137

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cn2ccccc2n1 |r,wU:14.15,wD:7.8,17.22,(-8.61,-.12,;-7.27,.65,;-8.04,-.69,;-7.27,2.19,;-5.81,2.66,;-5.04,4,;-4.9,1.42,;-5.81,.17,;-5.41,-1.32,;-6.5,-2.41,;-6.1,-3.89,;-4.61,-4.29,;-3.52,-3.2,;-3.92,-1.71,;-3.36,1.42,;-2.59,2.75,;-1.05,2.75,;-.28,1.42,;-1.05,.08,;-2.59,.08,;1.26,1.42,;2.03,2.75,;1.26,4.08,;3.57,2.75,;4.47,1.51,;5.94,1.98,;7.27,1.21,;8.61,1.98,;8.61,3.52,;7.27,4.29,;5.94,3.52,;4.47,4,)|

BDBM231138

COc1ccccc1C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:18.20,11.11,wD:14.18,(5.32,5.52,;4.55,4.19,;5.32,2.85,;6.86,2.85,;7.63,1.52,;6.86,.19,;5.32,.19,;4.55,1.52,;3.01,1.52,;2.24,2.85,;2.24,.19,;.7,.19,;-.07,-1.15,;-1.61,-1.15,;-2.38,.19,;-1.61,1.52,;-.07,1.52,;-3.92,.19,;-4.83,-1.06,;-4.43,-2.55,;-5.52,-3.64,;-5.12,-5.12,;-3.63,-5.52,;-2.54,-4.43,;-2.94,-2.95,;-6.29,-.58,;-7.63,-1.35,;-7.06,-1.92,;-6.29,.96,;-4.83,1.43,;-4.06,2.77,)|

BDBM231139

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1coc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|

BDBM231140

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccncn1 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,2.85,;2.24,4.19,;4.55,2.85,;5.32,4.19,;6.86,4.19,;7.63,2.85,;6.86,1.52,;5.32,1.52,)|

BDBM231141

Cc1nc(cs1)C(=O)N[C@H]1CC[C@@H](CC1)N1[C@@H](c2ccccc2)C(C)(C)OC1=O |r,wU:16.18,9.9,wD:12.16,(7.94,1.31,;6.6,2.08,;5.14,1.61,;4.23,2.85,;5.14,4.1,;6.6,3.62,;2.69,2.85,;1.93,4.19,;1.93,1.52,;.38,1.52,;-.38,.19,;-1.93,.19,;-2.69,1.52,;-1.93,2.85,;-.38,2.85,;-4.23,1.52,;-5.14,.27,;-4.74,-1.21,;-5.83,-2.3,;-5.43,-3.79,;-3.94,-4.19,;-2.86,-3.1,;-3.25,-1.61,;-6.6,.75,;-7.94,-.02,;-7.37,-.58,;-6.6,2.29,;-5.14,2.77,;-4.37,4.1,)|

BDBM231142

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ccncc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|

BDBM231143

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cscn1 |r,wU:7.8,17.22,wD:14.15,(-7.27,-.02,;-5.94,.75,;-6.71,-.58,;-5.94,2.29,;-4.47,2.77,;-3.7,4.1,;-3.57,1.52,;-4.47,.27,;-4.07,-1.21,;-5.16,-2.3,;-4.77,-3.79,;-3.28,-4.19,;-2.19,-3.1,;-2.59,-1.61,;-2.03,1.52,;-1.26,.19,;.28,.19,;1.05,1.52,;.28,2.85,;-1.26,2.85,;2.59,1.52,;3.36,2.85,;2.59,4.19,;4.9,2.85,;5.81,4.1,;7.27,3.62,;7.27,2.08,;5.81,1.61,)|

BDBM231144

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CCC(=CC1)c1cnc2cc[nH]c2c1 |r,c:19|

BDBM231148

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc2cc[nH]c2c1 |r,wU:7.8,17.22,wD:14.15,(-6.24,-3.44,;-5.47,-2.11,;-4.7,-3.44,;-6.37,-.86,;-5.47,.38,;-6.24,1.72,;-4,-.09,;-4,-1.63,;-2.91,-2.72,;-3.31,-4.21,;-2.22,-5.3,;-.73,-4.9,;-.34,-3.41,;-1.42,-2.32,;-2.67,.68,;-1.33,-.09,;,.68,;,2.22,;-1.33,2.99,;-2.67,2.22,;1.33,2.99,;1.33,4.53,;2.67,5.3,;4,4.53,;5.47,5,;6.37,3.76,;5.47,2.51,;4,2.99,;2.67,2.22,)|

BDBM231149

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc2cc[nH]c2c1 |r,wU:7.8,wD:14.15,17.22,(-6.24,-3.44,;-5.47,-2.11,;-4.7,-3.44,;-6.37,-.86,;-5.47,.38,;-6.24,1.72,;-4,-.09,;-4,-1.63,;-2.91,-2.72,;-3.31,-4.21,;-2.22,-5.3,;-.73,-4.9,;-.34,-3.41,;-1.42,-2.32,;-2.67,.68,;-1.33,-.09,;,.68,;,2.22,;-1.33,2.99,;-2.67,2.22,;1.33,2.99,;1.33,4.53,;2.67,5.3,;4,4.53,;5.47,5,;6.37,3.76,;5.47,2.51,;4,2.99,;2.67,2.22,)|

BDBM231150

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CCC(=CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r,c:19|

BDBM231152

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r,wU:7.8,wD:14.15,17.22,(-6.93,-3.44,;-6.16,-2.11,;-5.39,-3.44,;-7.06,-.86,;-6.16,.38,;-6.93,1.72,;-4.69,-.09,;-4.69,-1.63,;-3.6,-2.72,;-4,-4.21,;-2.91,-5.3,;-1.42,-4.9,;-1.03,-3.41,;-2.11,-2.32,;-3.36,.68,;-2.02,-.09,;-.69,.68,;-.69,2.22,;-2.02,2.99,;-3.36,2.22,;.64,2.99,;.64,4.53,;1.98,5.3,;3.31,4.53,;4.78,5,;5.68,3.76,;4.78,2.51,;5.17,1.02,;4.09,-.06,;4.48,-1.55,;5.97,-1.95,;7.06,-.86,;6.66,.63,;3.31,2.99,;1.98,2.22,)|

BDBM231154

CC1(C)OC(=O)N([C@H]2CC(C2)c2nnc(o2)-c2ccccc2)[C@@H]1c1ccccc1 |r,wU:7.6,wD:22.26,(-7.13,-1.48,;-6.36,-.14,;-7.69,-.91,;-6.83,1.32,;-5.59,2.23,;-5.59,3.77,;-4.34,1.32,;-2.85,1.72,;-2.08,3.05,;-.75,2.28,;-1.52,.95,;.74,2.68,;1.21,4.15,;2.75,4.15,;3.23,2.68,;1.98,1.78,;4.72,2.28,;5.11,.79,;6.6,.4,;7.69,1.49,;7.29,2.97,;5.81,3.37,;-4.82,-.14,;-4.05,-1.48,;-4.82,-2.81,;-4.05,-4.15,;-2.51,-4.15,;-1.74,-2.81,;-2.51,-1.48,)|

BDBM231157

CC1(C)OC(=O)N([C@H]2CC(C2)c2nnc(o2)-c2ccccc2)[C@H]1c1ccccc1 |r,wU:22.26,7.6,(-7.13,-1.48,;-6.36,-.14,;-7.69,-.91,;-6.83,1.32,;-5.59,2.23,;-5.59,3.77,;-4.34,1.32,;-2.85,1.72,;-2.08,3.05,;-.75,2.28,;-1.52,.95,;.74,2.68,;1.21,4.15,;2.75,4.15,;3.23,2.68,;1.98,1.78,;4.72,2.28,;5.11,.79,;6.6,.4,;7.69,1.49,;7.29,2.97,;5.81,3.37,;-4.82,-.14,;-4.05,-1.48,;-4.82,-2.81,;-4.05,-4.15,;-2.51,-4.15,;-1.74,-2.81,;-2.51,-1.48,)|

BDBM231158

C[C@H]1OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:1.0,6.7,16.21,wD:13.14,(-7.62,.02,;-6.28,.79,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,.23,;-.06,.23,;.71,1.56,;-.06,2.9,;-1.6,2.9,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|

BDBM231159

C[C@@H]1OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:13.14,wD:1.0,16.21,(-7.62,.02,;-6.28,.79,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)|

BDBM231160

CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1ncc2cc(ccc12)C#N |r,wU:14.15,wD:7.8,17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,2.81,;4.62,2.33,;4.62,.79,;5.76,-.24,;5.44,-1.74,;3.98,-2.22,;2.83,-1.19,;3.15,.32,;6.53,-2.83,;7.62,-3.92,)|

BDBM231161

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1ncc2cc(ccc12)C#N |r,wU:7.8,14.15,wD:17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,2.81,;4.62,2.33,;4.62,.79,;5.76,-.24,;5.44,-1.74,;3.98,-2.22,;2.83,-1.19,;3.15,.32,;6.53,-2.83,;7.62,-3.92,)|

BDBM231162

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(Br)n1 |r,wU:7.8,14.15,wD:17.22,(-7.94,-.02,;-6.6,.75,;-7.37,-.58,;-6.6,2.29,;-5.14,2.77,;-4.37,4.1,;-4.23,1.52,;-5.14,.27,;-4.74,-1.21,;-5.83,-2.3,;-5.43,-3.79,;-3.94,-4.19,;-2.86,-3.1,;-3.25,-1.61,;-2.69,1.52,;-1.93,2.85,;-.38,2.85,;.38,1.52,;-.38,.19,;-1.93,.19,;1.93,1.52,;2.69,2.85,;1.93,4.19,;4.23,2.85,;5.14,4.1,;6.6,3.62,;6.6,2.08,;7.94,1.31,;5.14,1.61,)|

BDBM231163

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ncccn1 |r,wU:7.8,14.15,wD:17.22,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,2.85,;-1.55,2.85,;-.78,1.52,;-1.55,.19,;-3.09,.19,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)|

BDBM259490

O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:16.17,wD:19.24,(-.75,2.16,;-.75,.62,;-2.08,-.15,;-3.42,.62,;-4.75,-.15,;-6.08,.62,;-7.42,-.15,;-8.75,.62,;-10.08,-.15,;-11.42,.62,;-11.42,2.16,;-10.08,2.93,;-8.75,2.16,;-7.42,2.93,;-7.42,4.47,;-6.08,2.16,;.58,-.15,;1.92,.62,;3.25,-.15,;3.25,-1.69,;1.92,-2.46,;.58,-1.69,;4.59,-2.46,;4.59,-4,;6.05,-4.47,;6.96,-3.23,;6.05,-1.98,;8.44,-2.83,;9.53,-3.92,;11.02,-3.52,;11.42,-2.03,;10.33,-.94,;8.84,-1.34,)|

BDBM259491

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:16.17,wD:19.24,(-2.08,-1.69,;-2.08,-.15,;-3.42,.62,;-4.75,-.15,;-6.08,.62,;-7.42,-.15,;-8.75,.62,;-10.08,-.15,;-11.42,.62,;-11.42,2.16,;-10.08,2.93,;-8.75,2.16,;-7.42,2.93,;-7.42,4.47,;-6.08,2.16,;-.75,.62,;.58,-.15,;1.92,.62,;3.25,-.15,;3.25,-1.69,;1.92,-2.46,;.58,-1.69,;4.59,-2.46,;4.59,-4,;6.05,-4.47,;6.96,-3.23,;6.05,-1.98,;8.44,-2.83,;9.53,-3.92,;11.02,-3.52,;11.42,-2.03,;10.33,-.94,;8.84,-1.34,)|

BDBM259492

Clc1cccc(c1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259493

Clc1ccc(cc1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259494

Fc1cccc(c1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259495

Fc1ccc(cc1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259496

Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c2c1

BDBM259497

COc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1

BDBM259498

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(s1)-c1ccccc1

BDBM259499

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:17.18,wD:20.25,(3.99,6.1,;3.99,4.56,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,;5.33,3.79,;5.34,2.25,;6.68,1.48,;6.68,-.06,;5.34,-.83,;4.01,-.06,;4.01,1.48,;5.34,-2.37,;6.59,-3.28,;6.11,-4.74,;4.57,-4.74,;4.1,-3.28,;3.48,-5.83,;3.88,-7.32,;2.79,-8.41,;1.31,-8.01,;.91,-6.52,;2,-5.43,)|

BDBM259500

Cc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1

BDBM259501

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccccn1

BDBM259502

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1cccnc1

BDBM259503

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1cnccn1

BDBM259504

COc1ccc(cc1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259505

Clc1ccccc1-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259506

Clc1ccc(OCc2nnc(o2)C2CCN(CC2)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1

BDBM259507

Fc1ccccc1-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259508

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccncc1

BDBM259509

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1cccc(c1)C#N

BDBM259510

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccc(cc1)C#N

BDBM259511

Cc1cccc(c1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259512

Cc1ccc(cc1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259513

COc1cccc(c1)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259514

Fc1ccc(cc1Cl)-c1nnc(o1)C1CCN(CC1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1

BDBM259515

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ncccc2[nH]c1=O

BDBM259516

Clc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1

BDBM259517

Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(.22,-8.75,;1.31,-7.66,;.91,-6.18,;2,-5.09,;3.48,-5.49,;3.88,-6.97,;2.79,-8.06,;4.57,-4.4,;6.11,-4.4,;6.59,-2.93,;5.34,-2.03,;4.1,-2.93,;5.34,-.49,;6.68,.28,;6.68,1.82,;5.34,2.59,;4.01,1.82,;4.01,.28,;5.33,4.13,;3.99,4.9,;3.99,6.44,;2.66,4.13,;1.33,4.9,;-.01,4.13,;-1.34,4.9,;-2.68,4.13,;-4.01,4.9,;-5.34,4.13,;-6.68,4.9,;-6.68,6.44,;-5.34,7.21,;-4.01,6.44,;-2.68,7.21,;-2.68,8.75,;-1.34,6.44,)|

BDBM259518

Clc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(.22,-8.75,;1.31,-7.66,;.91,-6.18,;2,-5.09,;3.48,-5.49,;3.88,-6.97,;2.79,-8.06,;4.57,-4.4,;6.11,-4.4,;6.59,-2.93,;5.34,-2.03,;4.1,-2.93,;5.34,-.49,;6.68,.28,;6.68,1.82,;5.34,2.59,;4.01,1.82,;4.01,.28,;5.33,4.13,;3.99,4.9,;3.99,6.44,;2.66,4.13,;1.33,4.9,;-.01,4.13,;-1.34,4.9,;-2.68,4.13,;-4.01,4.9,;-5.34,4.13,;-6.68,4.9,;-6.68,6.44,;-5.34,7.21,;-4.01,6.44,;-2.68,7.21,;-2.68,8.75,;-1.34,6.44,)|

BDBM259519

COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.62,-9.5,;.22,-8.01,;1.31,-6.92,;.91,-5.43,;2,-4.34,;3.48,-4.74,;3.88,-6.23,;2.79,-7.32,;4.57,-3.65,;6.11,-3.65,;6.59,-2.19,;5.34,-1.28,;4.1,-2.19,;5.34,.26,;6.68,1.03,;6.68,2.57,;5.34,3.34,;4.01,2.57,;4.01,1.03,;5.33,4.88,;3.99,5.65,;3.99,7.19,;2.66,4.88,;1.33,5.65,;-.01,4.88,;-1.34,5.65,;-2.68,4.88,;-4.01,5.65,;-5.34,4.88,;-6.68,5.65,;-6.68,7.19,;-5.34,7.96,;-4.01,7.19,;-2.68,7.96,;-2.68,9.5,;-1.34,7.19,)|

BDBM259520

Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(-.58,-6.12,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,;3.48,-5.83,;2,-5.43,;4.57,-4.74,;6.11,-4.74,;6.59,-3.28,;5.34,-2.37,;4.1,-3.28,;5.34,-.83,;6.68,-.06,;6.68,1.48,;5.34,2.25,;4.01,1.48,;4.01,-.06,;5.33,3.79,;3.99,4.56,;3.99,6.1,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,)|

BDBM259521

COc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(-1.67,-7.21,;-.58,-6.12,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,;3.48,-5.83,;2,-5.43,;4.57,-4.74,;6.11,-4.74,;6.59,-3.28,;5.34,-2.37,;4.1,-3.28,;5.34,-.83,;6.68,-.06,;6.68,1.48,;5.34,2.25,;4.01,1.48,;4.01,-.06,;5.33,3.79,;3.99,4.56,;3.99,6.1,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,)|

BDBM259522

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccncc1 |r,wU:17.18,wD:20.25,(3.99,6.1,;3.99,4.56,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,;5.33,3.79,;5.34,2.25,;6.68,1.48,;6.68,-.06,;5.34,-.83,;4.01,-.06,;4.01,1.48,;5.34,-2.37,;6.59,-3.28,;6.11,-4.74,;4.57,-4.74,;4.1,-3.28,;3.48,-5.83,;2,-5.43,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,)|

BDBM259523

COc1ccc2[nH]c(=O)n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c2c1

BDBM259524

Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.22,-8.75,;1.31,-7.66,;2.79,-8.06,;3.88,-6.97,;3.48,-5.49,;2,-5.09,;.91,-6.18,;-.58,-5.78,;4.57,-4.4,;6.11,-4.4,;6.59,-2.93,;5.34,-2.03,;4.1,-2.93,;5.34,-.49,;6.68,.28,;6.68,1.82,;5.34,2.59,;4.01,1.82,;4.01,.28,;5.33,4.13,;3.99,4.9,;3.99,6.44,;2.66,4.13,;1.33,4.9,;-.01,4.13,;-1.34,4.9,;-2.68,4.13,;-4.01,4.9,;-5.34,4.13,;-6.68,4.9,;-6.68,6.44,;-5.34,7.21,;-4.01,6.44,;-2.68,7.21,;-2.68,8.75,;-1.34,6.44,)|

BDBM259525

Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(-.58,-6.12,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,;3.48,-5.83,;2,-5.43,;4.57,-4.74,;6.11,-4.74,;6.59,-3.28,;5.34,-2.37,;4.1,-3.28,;5.34,-.83,;6.68,-.06,;6.68,1.48,;5.34,2.25,;4.01,1.48,;4.01,-.06,;5.33,3.79,;3.99,4.56,;3.99,6.1,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,)|

BDBM259526

Cc1cc(=O)[nH]c(SCCC(=O)N[C@H]2CC[C@@H](CC2)c2nnc(o2)-c2ccccc2)n1 |r,wU:16.19,wD:13.12,(-11.48,-2.31,;-10.15,-1.54,;-10.15,,;-8.81,.77,;-8.81,2.31,;-7.48,,;-7.48,-1.54,;-6.14,-2.31,;-4.81,-1.54,;-3.48,-2.31,;-2.14,-1.54,;-2.14,,;-.81,-2.31,;.52,-1.54,;1.86,-2.31,;3.19,-1.54,;3.19,,;1.86,.77,;.52,,;4.52,.77,;5,2.23,;6.54,2.23,;7.02,.77,;5.77,-.14,;8.5,.37,;8.9,-1.12,;10.39,-1.51,;11.48,-.43,;11.08,1.06,;9.59,1.46,;-8.81,-2.31,)|

BDBM259527

O=C(CCc1cc(=O)n2ccccc2n1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:16.17,wD:19.24,(.79,2.85,;-.54,2.08,;-1.87,2.85,;-1.87,4.39,;-3.21,5.16,;-3.21,6.7,;-4.54,7.47,;-4.54,9.01,;-5.88,6.7,;-7.21,7.47,;-8.54,6.7,;-8.54,5.16,;-7.21,4.39,;-5.88,5.16,;-4.54,4.39,;-.54,.54,;.79,-.23,;2.13,.54,;3.46,-.23,;3.46,-1.77,;2.13,-2.54,;.79,-1.77,;4.79,-2.54,;6.26,-2.06,;7.16,-3.31,;6.26,-4.55,;4.79,-4.08,;6.66,-6.04,;5.57,-7.13,;5.97,-8.62,;7.45,-9.01,;8.54,-7.93,;8.14,-6.44,)|

BDBM259528

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1C[C@H](C1)c1nnc(o1)-c1ccccc1 |r,wU:17.18,19.23,(-1.01,-.23,;-1.41,-1.72,;-2.9,-2.11,;-3.98,-1.03,;-5.47,-1.42,;-6.56,-.34,;-8.05,-.73,;-9.14,.36,;-10.63,-.04,;-11.71,1.05,;-11.32,2.53,;-9.83,2.93,;-8.74,1.84,;-7.25,2.24,;-6.85,3.73,;-6.16,1.15,;-.32,-2.8,;1.17,-2.41,;1.94,-1.07,;3.27,-1.84,;2.5,-3.18,;4.76,-1.44,;5.24,.02,;6.78,.02,;7.25,-1.44,;6.01,-2.35,;8.74,-1.84,;9.83,-.75,;11.32,-1.15,;11.71,-2.64,;10.63,-3.73,;9.14,-3.33,)|

BDBM259529

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1C[C@@H](C1)c1nnc(o1)-c1ccccc1 |r,wU:19.23,wD:17.18,(-1.01,-.23,;-1.41,-1.72,;-2.9,-2.11,;-3.98,-1.03,;-5.47,-1.42,;-6.56,-.34,;-8.05,-.73,;-9.14,.36,;-10.63,-.04,;-11.71,1.05,;-11.32,2.53,;-9.83,2.93,;-8.74,1.84,;-7.25,2.24,;-6.85,3.73,;-6.16,1.15,;-.32,-2.8,;1.17,-2.41,;2.5,-3.18,;3.27,-1.84,;1.94,-1.07,;4.76,-1.44,;5.24,.02,;6.78,.02,;7.25,-1.44,;6.01,-2.35,;8.74,-1.84,;9.83,-.75,;11.32,-1.15,;11.71,-2.64,;10.63,-3.73,;9.14,-3.33,)|

BDBM259530

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM259531

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccccc1

BDBM259532

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)N1C(=O)Cc2ccccc12

BDBM259533

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccccc2oc1=O

BDBM259534

Cn1c2cc(Cl)ccc2n(C2CCN(CC2)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1=O

BDBM259535

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:21|

BDBM259536

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2cccnc2[nH]c1=O

BDBM259537

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1n[nH]c2ccccc12

BDBM259538

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1

BDBM259539

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccccc2sc1=O

BDBM259540

Fc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1

BDBM259541

FC(F)(F)c1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1

BDBM259542

Fc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)oc2c1

BDBM259543

Cn1c2ccccc2n(C2CCN(CC2)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1=O

BDBM259544

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)c1n[nH]c2ccccc12

BDBM259545

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccccn1 |r,wU:17.18,wD:20.25,(;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-8,-1.54,;-9.34,-2.31,;-10.67,-1.54,;-10.67,,;-9.34,.77,;-8,,;-6.67,.77,;-6.67,2.31,;-5.33,,;1.33,-2.31,;2.67,-1.54,;2.67,,;4,.77,;5.33,,;5.33,-1.54,;4,-2.31,;6.67,.77,;8,,;9.34,.77,;10.67,,;10.67,-1.54,;9.34,-2.31,;8,-1.54,)|

BDBM259546

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccccc1C#N |r,wU:17.18,wD:20.25,(,.38,;,-1.15,;-1.33,-1.93,;-2.67,-1.15,;-4,-1.93,;-5.33,-1.15,;-6.67,-1.93,;-8,-1.15,;-9.34,-1.93,;-10.67,-1.15,;-10.67,.38,;-9.34,1.15,;-8,.38,;-6.67,1.15,;-6.67,2.69,;-5.33,.38,;1.33,-1.93,;2.67,-1.15,;2.67,.38,;4,1.15,;5.33,.38,;5.33,-1.15,;4,-1.93,;6.67,1.15,;8,.38,;9.34,1.15,;10.67,.38,;10.67,-1.15,;9.34,-1.93,;8,-1.15,;6.67,-1.93,;5.33,-2.69,)|

BDBM259547

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1cccc(c1)C#N |r,wU:17.18,wD:20.25,(-1.33,,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;-5.33,-2.31,;-6.67,-1.54,;-8,-2.31,;-9.34,-1.54,;-10.67,-2.31,;-12,-1.54,;-12,,;-10.67,.77,;-9.34,,;-8,.77,;-8,2.31,;-6.67,,;,-2.31,;1.33,-1.54,;1.33,,;2.67,.77,;4,,;4,-1.54,;2.67,-2.31,;5.33,.77,;6.67,,;6.67,-1.54,;8,-2.31,;9.34,-1.54,;9.34,,;8,.77,;10.67,.77,;12,1.54,)|

BDBM259548

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1cccnc1 |r,wU:17.18,wD:20.25,(;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-8,-1.54,;-9.34,-2.31,;-10.67,-1.54,;-10.67,,;-9.34,.77,;-8,,;-6.67,.77,;-6.67,2.31,;-5.33,,;1.33,-2.31,;2.67,-1.54,;2.67,,;4,.77,;5.33,,;5.33,-1.54,;4,-2.31,;6.67,.77,;8,,;8,-1.54,;9.34,-2.31,;10.67,-1.54,;10.67,,;9.34,.77,)|

BDBM259549

FC1(F)C(=O)N(C2CCN(CC2)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c2ccccc12

BDBM259550

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2cccc(C#N)c2[nH]c1=O

BDBM259551

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](C1)OCc1ccccc1 |r|

BDBM259552

Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1C#N |r,wU:6.5,wD:9.12,(8.67,-5.39,;7.34,-4.62,;7.34,-3.08,;6,-2.31,;4.67,-3.08,;3.33,-2.31,;3.33,-.77,;2,,;2,1.54,;3.33,2.31,;4.67,1.54,;4.67,,;3.33,3.85,;2,4.62,;2,6.16,;.67,3.85,;-.67,4.62,;-2,3.85,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-4.67,8.47,;-3.33,6.16,;4.67,-4.62,;6,-5.39,;6,-6.93,;6,-8.47,)|

BDBM259553

Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:5.4,wD:8.11,(5.33,-7.7,;5.33,-6.16,;4,-5.39,;4,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,3.08,;1.33,3.85,;1.33,5.39,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-8,3.08,;-9.34,3.85,;-9.34,5.39,;-8,6.16,;-6.67,5.39,;-5.33,6.16,;-5.33,7.7,;-4,5.39,;5.33,-3.08,;6.67,-3.85,;6.67,-5.39,;8,-6.16,;9.34,-6.93,)|

BDBM259554

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](C1)Oc1ccccc1 |r|

BDBM259555

Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 |r,wU:10.13,wD:7.6,(2.67,-7.7,;2.67,-6.16,;1.33,-5.39,;1.33,-3.85,;2.67,-3.08,;4,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;4,-.77,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-6.67,5.39,;-5.33,6.16,;-4,5.39,;-2.67,6.16,;-2.67,7.7,;-1.33,5.39,;4,-5.39,)|

BDBM259556

Fc1cccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c12

BDBM259557

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N

BDBM259558

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)c1nsc2ccccc12

BDBM259559

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccncc1 |r,wU:17.18,wD:20.25,(-0,,;-0,-1.54,;-1.34,-2.31,;-2.67,-1.54,;-4,-2.31,;-5.34,-1.54,;-6.67,-2.31,;-8.01,-1.54,;-9.34,-2.31,;-10.67,-1.54,;-10.67,,;-9.34,.77,;-8.01,,;-6.67,.77,;-6.67,2.31,;-5.34,,;1.33,-2.31,;2.66,-1.54,;2.66,,;4.01,.76,;5.33,,;5.33,-1.54,;4.01,-2.3,;6.66,.77,;8,.01,;8.01,-1.53,;9.34,-2.3,;10.67,-1.53,;10.67,.01,;9.34,.77,)|

BDBM259560

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)c1noc2ccccc12

BDBM259561

Fc1ccc2onc(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c2c1

BDBM259562

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:17.18,wD:20.25,(-.26,-.38,;-.26,-1.93,;-1.6,-2.69,;-2.93,-1.93,;-4.26,-2.69,;-5.6,-1.93,;-6.93,-2.69,;-8.27,-1.93,;-9.6,-2.69,;-10.93,-1.93,;-10.93,-.38,;-9.6,.38,;-8.27,-.38,;-6.93,.38,;-6.93,1.93,;-5.6,-.38,;1.07,-2.69,;2.4,-1.93,;2.4,-.38,;3.74,.39,;5.07,-.38,;5.07,-1.93,;3.74,-2.69,;6.41,.38,;7.87,-.09,;8.5,-1.5,;10.03,-1.66,;10.93,-.41,;10.31,.99,;8.77,1.15,;7.87,2.4,;6.41,1.93,;5.07,2.69,)|

BDBM259563

Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:9.12,wD:6.5,(11.68,-.81,;10.19,-.41,;9.28,-1.66,;7.75,-1.5,;7.13,-.09,;5.66,.38,;4.33,-.38,;2.99,.39,;1.66,-.38,;1.66,-1.93,;2.99,-2.69,;4.33,-1.93,;.33,-2.69,;-1.01,-1.93,;-1.01,-.38,;-2.34,-2.69,;-3.67,-1.93,;-5.01,-2.69,;-6.34,-1.93,;-7.68,-2.69,;-9.01,-1.93,;-10.34,-2.69,;-11.68,-1.93,;-11.68,-.38,;-10.34,.38,;-9.01,-.38,;-7.68,.38,;-7.68,1.93,;-6.34,-.38,;5.66,1.93,;4.33,2.69,;7.13,2.4,;8.03,1.15,;9.56,.99,)|

BDBM259564

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1nnc2ccccc12

BDBM259565

Clc1ccc2C(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)C(=O)Nc2c1

BDBM259566

Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(10.67,-3.47,;9.34,-2.69,;8,-3.47,;6.67,-2.69,;6.67,-1.15,;5.33,-.38,;4,-1.15,;2.67,-.38,;1.33,-1.15,;1.33,-2.69,;2.67,-3.46,;4,-2.69,;,-3.47,;-1.33,-2.69,;-1.33,-1.15,;-2.67,-3.47,;-4,-2.69,;-4,-1.15,;-5.33,-.38,;-6.67,-1.15,;-8,-.38,;-9.34,-1.15,;-10.67,-.38,;-10.67,1.15,;-9.34,1.93,;-8,1.15,;-6.67,1.93,;-6.67,3.47,;-5.33,1.15,;8,-.38,;9.34,-1.15,)|

BDBM259567

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:17.18,wD:20.25,(-1.33,.39,;-1.33,-1.15,;-2.67,-1.92,;-4,-1.15,;-5.33,-1.92,;-6.67,-1.15,;-8,-1.92,;-9.34,-1.15,;-10.67,-1.92,;-12,-1.15,;-12,.39,;-10.67,1.16,;-9.34,.39,;-8,1.16,;-8,2.7,;-6.67,.39,;,-1.92,;1.33,-1.15,;1.33,.39,;2.67,1.16,;4,.39,;4,-1.15,;2.67,-1.93,;5.33,1.15,;6.67,.38,;6.67,-1.16,;8,-1.93,;9.34,-1.16,;9.34,.38,;8,1.15,;10.67,-1.93,;12,-2.7,)|

BDBM259568

Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(11.34,-2.31,;10,-1.54,;8.67,-2.31,;7.34,-1.54,;7.34,,;6,.77,;4.67,,;3.33,.77,;2,,;2,-1.54,;3.33,-2.31,;4.67,-1.54,;.67,-2.31,;-.67,-1.54,;-.67,,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-7.34,-2.31,;-8.67,-1.54,;-10,-2.31,;-11.34,-1.54,;-11.34,,;-10,.77,;-8.67,,;-7.34,.77,;-7.34,2.31,;-6,,;8.67,.77,;10,,)|

BDBM259569

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccccc2oc1=O |r,wU:19.24,wD:16.17,(2.71,5.99,;2.71,4.45,;1.38,3.68,;.04,4.45,;-1.29,3.68,;-2.62,4.45,;-3.96,3.68,;-5.29,4.45,;-6.62,3.68,;-6.62,2.14,;-5.29,1.37,;-3.96,2.14,;-2.62,1.37,;-2.62,-.17,;-1.29,2.14,;4.04,3.68,;4.04,2.14,;2.71,1.37,;2.71,-.17,;4.04,-.94,;5.38,-.17,;5.38,1.37,;4.04,-2.48,;2.8,-3.38,;1.29,-3.06,;.26,-4.21,;.74,-5.67,;2.24,-5.99,;3.27,-4.85,;4.81,-4.85,;5.29,-3.38,;6.62,-2.61,)|

BDBM259570

O=C(CCc1nc2ncccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:16.17,wD:19.24,(-2.66,4.17,;-2.66,2.63,;-3.99,1.86,;-5.33,2.63,;-6.66,1.86,;-6.66,.32,;-7.99,-.45,;-7.99,-1.99,;-9.33,-2.76,;-10.66,-1.99,;-10.66,-.45,;-9.33,.32,;-9.33,1.86,;-10.66,2.63,;-7.99,2.63,;-1.32,1.86,;.16,1.46,;1.25,2.55,;2.74,2.15,;3.14,.66,;2.05,-.42,;.56,-.03,;4.63,.27,;5.53,1.51,;7,1.04,;7,-.5,;5.53,-.98,;8.08,-1.59,;7.69,-3.08,;8.77,-4.17,;10.26,-3.77,;10.66,-2.28,;9.57,-1.19,)|

BDBM259571

Clc1ccc2n(C3CCN(CC3)C(=O)CCSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1

BDBM259572

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccccc1

BDBM259573

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:19.24,wD:16.17,(2.71,5.99,;2.71,4.45,;1.38,3.68,;.04,4.45,;-1.29,3.68,;-2.62,4.45,;-3.96,3.68,;-5.29,4.45,;-6.62,3.68,;-6.62,2.14,;-5.29,1.37,;-3.96,2.14,;-2.62,1.37,;-2.62,-.17,;-1.29,2.14,;4.04,3.68,;4.04,2.14,;2.71,1.37,;2.71,-.17,;4.04,-.94,;5.38,-.17,;5.38,1.37,;4.04,-2.48,;2.8,-3.38,;1.29,-3.06,;.26,-4.21,;.74,-5.67,;2.24,-5.99,;3.27,-4.85,;4.81,-4.85,;5.29,-3.38,;6.62,-2.61,)|

BDBM259574

Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:6.5,wD:9.12,(-.35,-6.38,;.74,-5.29,;.26,-3.82,;1.29,-2.68,;2.8,-3,;4.04,-2.09,;4.04,-.55,;2.71,.22,;2.71,1.76,;4.04,2.53,;5.38,1.76,;5.38,.22,;4.04,4.07,;2.71,4.84,;2.71,6.38,;1.38,4.07,;.04,4.84,;-1.29,4.07,;-2.62,4.84,;-3.96,4.07,;-5.29,4.84,;-6.62,4.07,;-6.62,2.53,;-5.29,1.76,;-3.96,2.53,;-2.62,1.76,;-2.62,.22,;-1.29,2.53,;5.29,-3,;6.62,-2.23,;4.81,-4.46,;3.27,-4.46,;2.24,-5.61,)|

BDBM259575

Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(5.96,-4.68,;6.73,-3.35,;8.27,-3.35,;9.04,-2.02,;8.27,-.68,;8.74,.78,;7.5,1.69,;7.5,3.23,;6.25,.78,;4.76,1.18,;4.36,2.67,;2.88,3.07,;1.79,1.98,;2.19,.49,;3.67,.09,;.3,2.37,;-1.03,3.14,;-1.03,4.68,;-2.37,2.37,;-3.7,3.14,;-5.03,2.37,;-5.03,.83,;-6.37,.06,;-6.37,-1.48,;-7.7,-2.25,;-9.04,-1.48,;-9.04,.06,;-7.7,.83,;-7.7,2.37,;-9.04,3.14,;-6.37,3.14,;6.73,-.68,;5.96,-2.02,)|

BDBM259576

Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:6.5,wD:9.12,(-.35,-6.38,;.74,-5.29,;.26,-3.82,;1.29,-2.68,;2.8,-3,;4.04,-2.09,;4.04,-.55,;2.71,.22,;2.71,1.76,;4.04,2.53,;5.38,1.76,;5.38,.22,;4.04,4.07,;2.71,4.84,;2.71,6.38,;1.38,4.07,;.04,4.84,;-1.29,4.07,;-2.62,4.84,;-3.96,4.07,;-5.29,4.84,;-6.62,4.07,;-6.62,2.53,;-5.29,1.76,;-3.96,2.53,;-2.62,1.76,;-2.62,.22,;-1.29,2.53,;5.29,-3,;6.62,-2.23,;4.81,-4.46,;3.27,-4.46,;2.24,-5.61,)|

BDBM259577

O=C(CCc1nc2NCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:16.17,wD:19.24,(-2.66,4.17,;-2.66,2.63,;-3.99,1.86,;-5.33,2.63,;-6.66,1.86,;-6.66,.32,;-7.99,-.45,;-7.99,-1.99,;-9.33,-2.76,;-10.66,-1.99,;-10.66,-.45,;-9.33,.32,;-9.33,1.86,;-10.66,2.63,;-7.99,2.63,;-1.32,1.86,;.16,1.46,;1.25,2.55,;2.74,2.15,;3.14,.66,;2.05,-.42,;.56,-.03,;4.63,.27,;5.53,1.51,;7,1.04,;7,-.5,;5.53,-.98,;8.08,-1.59,;7.69,-3.08,;8.77,-4.17,;10.26,-3.77,;10.66,-2.28,;9.57,-1.19,)|

BDBM259578

O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccccc1

BDBM259579

Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:9.12,wD:6.5,(11.03,-1.34,;9.5,-1.18,;8.6,-2.43,;7.06,-2.27,;6.44,-.86,;4.97,-.38,;3.64,-1.15,;2.31,-.38,;.97,-1.15,;.97,-2.69,;2.31,-3.47,;3.64,-2.69,;-.36,-3.47,;-1.7,-2.69,;-1.7,-1.15,;-3.03,-3.47,;-4.36,-2.69,;-4.36,-1.15,;-5.7,-.38,;-7.03,-1.15,;-8.36,-.38,;-9.7,-1.15,;-11.03,-.38,;-11.03,1.15,;-9.7,1.93,;-8.36,1.15,;-7.03,1.93,;-7.03,3.47,;-5.7,1.15,;4.97,1.15,;3.64,1.93,;6.44,1.63,;7.34,.38,;8.87,.22,)|

BDBM259580

Nc1cc(=O)[nH]c(SCCC(=O)N[C@H]2CC[C@@H](CC2)c2nnc(o2)-c2ccccc2)n1 |r,wU:13.12,wD:16.19,(-10.75,-3.7,;-9.42,-2.93,;-9.42,-1.39,;-8.08,-.62,;-8.08,.92,;-6.75,-1.39,;-6.75,-2.93,;-5.42,-3.7,;-4.08,-2.93,;-4.08,-1.39,;-2.75,-.62,;-2.75,.92,;-1.42,-1.39,;-.08,-.62,;-.08,.92,;1.25,1.69,;2.59,.92,;2.59,-.62,;1.25,-1.39,;3.92,1.69,;3.92,3.23,;5.38,3.7,;6.29,2.46,;5.38,1.21,;7.78,2.06,;8.17,.57,;9.66,.17,;10.75,1.26,;10.35,2.75,;8.87,3.15,;-8.08,-3.7,)|

BDBM259581

O=C(CCSCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:18.19,wD:21.26,(-1.03,-2.39,;-1.03,-.85,;-2.36,-.08,;-3.7,-.85,;-5.03,-.08,;-5.43,1.41,;-6.92,1.8,;-8.01,.72,;-9.49,1.11,;-10.58,.02,;-12.07,.42,;-12.47,1.91,;-11.38,3,;-9.89,2.6,;-8.8,3.69,;-9.2,5.18,;-7.32,3.29,;.3,-.08,;1.64,-.85,;2.97,-.08,;4.3,-.85,;4.3,-2.39,;2.97,-3.16,;1.64,-2.39,;5.64,-3.16,;5.64,-4.7,;7.1,-5.18,;8.01,-3.93,;7.1,-2.69,;9.49,-3.53,;10.58,-4.62,;12.07,-4.22,;12.47,-2.74,;11.38,-1.65,;9.89,-2.05,)|

BDBM259582

Fc1ccc(cc1)-c1nnc(o1)C1CCN(CC1)C(=O)CCSCc1nc2ccccc2c(=O)[nH]1

BDBM259583

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)c1n[nH]c2ccccc12

BDBM259584

O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1ncc(o1)-c1ccccc1 |r,wU:17.18,wD:20.25,(-2.08,.92,;-2.08,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.08,-2.93,;-7.42,-3.7,;-8.75,-2.93,;-10.08,-3.7,;-11.42,-2.93,;-11.42,-1.39,;-10.08,-.62,;-8.75,-1.39,;-7.42,-.62,;-7.42,.92,;-6.08,-1.39,;-.75,-1.39,;.58,-.62,;.58,.92,;1.92,1.69,;3.25,.92,;3.25,-.62,;1.92,-1.39,;4.59,1.69,;4.59,3.23,;6.05,3.7,;6.96,2.46,;6.05,1.21,;8.44,2.06,;8.84,.57,;10.33,.17,;11.42,1.26,;11.02,2.75,;9.53,3.15,)|

BDBM259585

O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:16.17,wD:19.24,(-2.66,4.17,;-2.66,2.63,;-3.99,1.86,;-5.33,2.63,;-6.66,1.86,;-6.66,.32,;-7.99,-.45,;-7.99,-1.99,;-9.33,-2.76,;-10.66,-1.99,;-10.66,-.45,;-9.33,.32,;-9.33,1.86,;-10.66,2.63,;-7.99,2.63,;-1.32,1.86,;.16,1.46,;1.25,2.55,;2.74,2.15,;3.14,.66,;2.05,-.42,;.56,-.03,;4.63,.27,;5.53,1.51,;7,1.04,;7,-.5,;5.53,-.98,;8.08,-1.59,;7.69,-3.08,;8.77,-4.17,;10.26,-3.77,;10.66,-2.28,;9.57,-1.19,)|

BDBM50446538

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:20.25,wD:17.18,(59.36,-49.64,;59.35,-51.18,;58.02,-51.95,;56.68,-51.17,;55.35,-51.94,;54.02,-51.16,;52.67,-51.94,;51.33,-51.16,;50,-51.93,;48.67,-51.16,;48.67,-49.61,;50,-48.84,;51.33,-49.61,;52.67,-48.83,;52.67,-47.29,;54.02,-49.61,;60.68,-51.95,;62.02,-51.17,;63.35,-51.94,;64.68,-51.16,;64.67,-49.62,;63.33,-48.86,;62,-49.64,;66,-48.83,;67.42,-49.44,;68.44,-48.29,;67.65,-46.96,;66.15,-47.29,;68.4,-45.62,;69.94,-45.6,;70.69,-44.26,;69.9,-42.93,;68.35,-42.96,;67.61,-44.31,)|

BDBM259586

O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccccc1

BDBM259587

Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(10,.77,;8.67,1.54,;7.34,.77,;6,1.54,;6,3.08,;4.67,3.85,;3.33,3.08,;2,3.85,;.67,3.08,;.67,1.54,;2,.77,;3.33,1.54,;-.67,.77,;-2,1.54,;-2,3.08,;-3.33,.77,;-4.67,1.54,;-6,.77,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-8.67,-3.85,;-10,-3.08,;-10,-1.54,;-8.67,-.77,;-8.67,.77,;-10,1.54,;-7.34,1.54,;7.34,3.85,;8.67,3.08,)|

BDBM259588

Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(6.67,-5.78,;6.67,-4.23,;5.33,-3.47,;5.33,-1.93,;6.67,-1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.47,;1.33,5,;2.67,5.78,;,5.78,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-8,5.78,;-5.33,5.78,;8,-1.93,;8,-3.47,)|

BDBM259589

Fc1ccc2nc(CCC(=O)N[C@H]3CC[C@@H](CC3)c3nnc(o3)-c3ccccc3)[nH]c(=O)c2c1 |r,wU:12.11,wD:15.18,(-11.87,.88,;-10.33,.88,;-9.56,-.45,;-8.02,-.45,;-7.25,.88,;-5.71,.88,;-4.94,2.22,;-3.4,2.22,;-2.63,.88,;-1.09,.88,;-.32,2.22,;-.32,-.45,;1.22,-.45,;1.99,.88,;3.53,.88,;4.3,-.45,;3.53,-1.78,;1.99,-1.78,;5.84,-.45,;6.74,.8,;8.21,.32,;8.21,-1.22,;6.74,-1.7,;9.3,-2.31,;8.9,-3.8,;9.99,-4.89,;11.47,-4.49,;11.87,-3,;10.78,-1.91,;-5.71,3.55,;-7.25,3.55,;-8.02,4.89,;-8.02,2.22,;-9.56,2.22,)|

BDBM259590

Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(7.74,-5.31,;8.06,-3.81,;9.52,-3.33,;9.84,-1.82,;8.7,-.79,;8.7,.75,;7.23,1.22,;6.46,2.56,;6.33,-.02,;4.79,-.02,;4.02,1.31,;2.48,1.31,;1.71,-.02,;2.48,-1.36,;4.02,-1.36,;.17,-.02,;-.6,1.31,;.17,2.64,;-2.14,1.31,;-2.91,2.64,;-4.45,2.64,;-5.22,1.31,;-6.76,1.31,;-7.53,-.02,;-9.07,-.02,;-9.84,1.31,;-9.07,2.64,;-7.53,2.64,;-6.76,3.98,;-7.53,5.31,;-5.22,3.98,;7.23,-1.27,;6.91,-2.77,)|

BDBM259591

O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:16.17,wD:19.24,(-.44,2.99,;-1.21,1.65,;-2.75,1.65,;-3.52,2.99,;-5.06,2.99,;-5.83,1.65,;-7.37,1.65,;-8.14,.32,;-9.68,.32,;-10.45,1.65,;-9.68,2.99,;-8.14,2.99,;-7.37,4.32,;-8.14,5.65,;-5.83,4.32,;-.44,.32,;1.1,.32,;1.87,1.65,;3.41,1.65,;4.18,.32,;3.41,-1.01,;1.87,-1.01,;5.72,.32,;6.62,-.93,;6.3,-2.43,;7.45,-3.46,;8.91,-2.99,;9.23,-1.48,;8.09,-.45,;8.09,1.09,;6.62,1.57,;5.85,2.9,;9.68,-4.32,;10.45,-5.65,)|

BDBM259592

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:17.18,wD:20.25,(-2.42,-1.15,;-2.42,-2.69,;-3.75,-3.47,;-5.09,-2.69,;-5.09,-1.15,;-6.42,-.38,;-7.75,-1.15,;-9.09,-.38,;-10.42,-1.15,;-11.75,-.38,;-11.75,1.15,;-10.42,1.93,;-9.09,1.15,;-7.75,1.93,;-7.75,3.47,;-6.42,1.15,;-1.08,-3.47,;.25,-2.69,;.25,-1.15,;1.58,-.38,;2.92,-1.15,;2.92,-2.69,;1.58,-3.47,;4.25,-.38,;5.72,-.86,;6.34,-2.27,;7.87,-2.43,;8.78,-1.18,;8.15,.22,;6.62,.38,;5.72,1.63,;4.25,1.15,;2.92,1.93,;10.27,-1.58,;11.75,-1.98,)|

BDBM259593

Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(6.67,-5.78,;6.67,-4.23,;5.33,-3.47,;5.33,-1.93,;6.67,-1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.47,;1.33,5,;2.67,5.78,;,5.78,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-8,5.78,;-5.33,5.78,;8,-1.93,;8,-3.47,)|

BDBM50446537

c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N

BDBM259594

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccccn1 |r,wU:17.18,wD:20.25,(2.67,5,;1.33,4.23,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;1.33,2.69,;2.67,1.93,;4,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;2.67,.38,;6.67,-.38,;6.67,-1.93,;8,-2.69,;8,-4.23,;6.67,-5,;5.33,-4.23,;5.33,-2.69,)|

BDBM259595

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccncc1 |r,wU:17.18,wD:20.25,(2.67,5,;1.33,4.23,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;1.33,2.69,;2.67,1.93,;4,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;2.67,.38,;6.67,-.38,;6.67,-1.93,;5.33,-2.69,;5.33,-4.23,;6.67,-5,;8,-4.23,;8,-2.69,)|

BDBM259596

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1cccc(c1)C#N |r,wU:17.18,wD:20.25,(2.67,5.39,;1.33,4.62,;,5.39,;-1.33,4.62,;-2.67,5.39,;-4,4.62,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-6.67,,;-8,.77,;-8,2.31,;-6.67,3.08,;-6.67,4.62,;-8,5.39,;-5.33,5.39,;1.33,3.08,;2.67,2.31,;4,3.08,;5.33,2.31,;5.33,.77,;4,,;2.67,.77,;6.67,,;6.67,-1.54,;8,-2.31,;8,-3.85,;6.67,-4.62,;5.33,-3.85,;5.33,-2.31,;4,-4.62,;2.67,-5.39,)|

BDBM259597

O=C(CCCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:18.19,wD:21.26,(-2.08,.92,;-2.08,-.62,;-3.42,-1.39,;-4.75,-.62,;-4.75,.92,;-6.08,1.69,;-7.42,.92,;-7.42,-.62,;-8.75,-1.39,;-8.75,-2.93,;-10.08,-3.7,;-11.42,-2.93,;-11.42,-1.39,;-10.08,-.62,;-10.08,.92,;-11.42,1.69,;-8.75,1.69,;-.75,-1.39,;.58,-.62,;.58,.92,;1.92,1.69,;3.25,.92,;3.25,-.62,;1.92,-1.39,;4.59,1.69,;4.59,3.23,;6.05,3.7,;6.96,2.46,;6.05,1.21,;8.44,2.06,;8.84,.57,;10.33,.17,;11.42,1.26,;11.02,2.75,;9.53,3.15,)|

BDBM259598

O=C(CCCSc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)c1nnc(o1)-c1ccccc1

BDBM259599

Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1 |r,wU:10.13,wD:7.6,(4,-5,;5.33,-4.23,;6.67,-5,;8,-4.23,;8,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;5.33,1.93,;4,2.69,;2.67,1.93,;2.67,.38,;4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;5.33,-2.69,)|

BDBM259600

Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1C#N |r,wU:9.12,wD:6.5,(6.67,-5.77,;6.67,-4.24,;8,-3.47,;8,-1.93,;6.67,-1.16,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.46,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.46,;1.33,5,;2.67,5.77,;,5.77,;-1.33,5,;-2.67,5.77,;-4,5,;-4,3.46,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.46,;-6.67,5,;-8,5.77,;-5.33,5.77,;5.33,-1.93,;5.33,-3.47,;4,-4.24,;2.67,-5.01,)|

BDBM259601

Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:8.11,wD:5.4,(4,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;6.67,1.15,;5.33,1.93,;5.33,3.47,;4,4.23,;2.67,3.47,;2.67,1.93,;4,1.15,;1.33,4.23,;1.33,5.78,;2.67,6.54,;,6.54,;-1.33,5.78,;-2.67,6.54,;-4,5.78,;-4,4.23,;-5.33,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-8,3.47,;-6.67,4.23,;-6.67,5.78,;-8,6.54,;-5.33,6.54,;8,-1.15,;8,-2.69,;6.67,-3.47,;6.67,-5,;6.67,-6.54,)|

BDBM259602

O=C(CCSc1nc2CCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:17.18,wD:20.25,(-1.09,.88,;-1.86,-.45,;-3.4,-.45,;-4.17,.88,;-5.71,.88,;-6.48,2.22,;-8.02,2.22,;-8.79,3.55,;-10.33,3.55,;-11.1,4.89,;-10.33,6.22,;-8.79,6.22,;-8.02,4.89,;-6.48,4.89,;-5.71,6.22,;-5.71,3.55,;-1.09,-1.78,;.45,-1.78,;1.22,-.45,;2.76,-.45,;3.53,-1.78,;2.76,-3.12,;1.22,-3.12,;5.07,-1.78,;5.97,-.54,;7.44,-1.01,;7.44,-2.55,;5.97,-3.03,;8.53,-3.64,;8.13,-5.13,;9.22,-6.22,;10.7,-5.82,;11.1,-4.33,;10.01,-3.24,)|

BDBM259603

O=C(CCSc1nc2CCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:17.18,wD:20.25,(-2,-.77,;-2,-2.31,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-6,,;-7.34,-.77,;-8.67,,;-10,-.77,;-11.34,,;-11.34,1.54,;-10,2.31,;-8.67,1.54,;-7.34,2.31,;-7.34,3.85,;-6,1.54,;-.67,-3.08,;.67,-2.31,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;2,-3.08,;4.67,,;6,-.77,;6,-2.31,;7.34,-3.08,;8.67,-2.31,;8.67,-.77,;7.34,,;10,-3.08,;11.34,-3.85,)|

BDBM259604

Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(12.16,-1.21,;10.67,-.81,;9.59,-1.9,;8.1,-1.5,;7.7,-.01,;8.79,1.08,;10.28,.68,;6.21,.38,;5.31,1.63,;3.84,1.15,;3.84,-.38,;5.31,-.86,;2.51,-1.15,;1.17,-.38,;-.16,-1.15,;-.16,-2.69,;1.17,-3.47,;2.51,-2.69,;-1.49,-3.47,;-2.83,-2.69,;-2.83,-1.15,;-4.16,-3.47,;-5.49,-2.69,;-5.49,-1.15,;-6.83,-.38,;-8.16,-1.15,;-9.49,-.38,;-10.83,-1.15,;-12.16,-.38,;-12.16,1.15,;-10.83,1.93,;-9.49,1.15,;-8.16,1.93,;-8.16,3.47,;-6.83,1.15,)|

BDBM259605

Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(10.73,-3.39,;10.33,-1.9,;11.42,-.81,;11.02,.68,;9.53,1.08,;8.44,-.01,;8.84,-1.5,;6.96,.38,;6.05,1.63,;4.59,1.15,;4.59,-.38,;6.05,-.86,;3.25,-1.15,;1.92,-.38,;.58,-1.15,;.58,-2.69,;1.92,-3.47,;3.25,-2.69,;-.75,-3.47,;-2.08,-2.69,;-2.08,-1.15,;-3.42,-3.47,;-4.75,-2.69,;-4.75,-1.15,;-6.08,-.38,;-7.42,-1.15,;-8.75,-.38,;-10.08,-1.15,;-11.42,-.38,;-11.42,1.15,;-10.08,1.93,;-8.75,1.15,;-7.42,1.93,;-7.42,3.47,;-6.08,1.15,)|

BDBM259606

Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(10.73,-3.39,;10.33,-1.9,;11.42,-.81,;11.02,.68,;9.53,1.08,;8.44,-.01,;8.84,-1.5,;6.96,.38,;6.05,1.63,;4.59,1.15,;4.59,-.38,;6.05,-.86,;3.25,-1.15,;1.92,-.38,;.58,-1.15,;.58,-2.69,;1.92,-3.47,;3.25,-2.69,;-.75,-3.47,;-2.08,-2.69,;-2.08,-1.15,;-3.42,-3.47,;-4.75,-2.69,;-4.75,-1.15,;-6.08,-.38,;-7.42,-1.15,;-8.75,-.38,;-10.08,-1.15,;-11.42,-.38,;-11.42,1.15,;-10.08,1.93,;-8.75,1.15,;-7.42,1.93,;-7.42,3.47,;-6.08,1.15,)|

BDBM259607

COc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(11.82,-3.63,;10.33,-3.23,;9.93,-1.74,;11.02,-.65,;10.62,.84,;9.13,1.24,;8.04,.15,;8.44,-1.34,;6.56,.55,;5.65,1.79,;4.19,1.32,;4.19,-.22,;5.65,-.7,;2.85,-.99,;1.52,-.22,;.19,-.99,;.19,-2.53,;1.52,-3.3,;2.85,-2.53,;-1.15,-3.3,;-2.48,-2.53,;-2.48,-.99,;-3.81,-3.3,;-5.15,-2.53,;-5.15,-.99,;-6.48,-.22,;-7.82,-.99,;-9.15,-.22,;-10.48,-.99,;-11.82,-.22,;-11.82,1.32,;-10.48,2.09,;-9.15,1.32,;-7.82,2.09,;-7.82,3.63,;-6.48,1.32,)|

BDBM259608

COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(12.71,-.12,;11.62,-1.21,;10.13,-.81,;9.04,-1.9,;7.55,-1.5,;7.15,-.01,;8.24,1.08,;9.73,.68,;5.67,.38,;4.76,1.63,;3.3,1.15,;3.3,-.38,;4.76,-.86,;1.96,-1.15,;.63,-.38,;-.7,-1.15,;-.7,-2.69,;.63,-3.47,;1.96,-2.69,;-2.04,-3.47,;-3.37,-2.69,;-3.37,-1.15,;-4.7,-3.47,;-6.04,-2.69,;-6.04,-1.15,;-7.37,-.38,;-8.71,-1.15,;-10.04,-.38,;-11.37,-1.15,;-12.71,-.38,;-12.71,1.15,;-11.37,1.93,;-10.04,1.15,;-8.71,1.93,;-8.71,3.47,;-7.37,1.15,)|

BDBM259609

Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(12.16,-1.21,;10.67,-.81,;10.28,.68,;8.79,1.08,;7.7,-.01,;8.1,-1.5,;9.59,-1.9,;9.98,-3.39,;6.21,.38,;5.31,1.63,;3.84,1.15,;3.84,-.38,;5.31,-.86,;2.51,-1.15,;1.17,-.38,;-.16,-1.15,;-.16,-2.69,;1.17,-3.47,;2.51,-2.69,;-1.49,-3.47,;-2.83,-2.69,;-2.83,-1.15,;-4.16,-3.47,;-5.49,-2.69,;-5.49,-1.15,;-6.83,-.38,;-8.16,-1.15,;-9.49,-.38,;-10.83,-1.15,;-12.16,-.38,;-12.16,1.15,;-10.83,1.93,;-9.49,1.15,;-8.16,1.93,;-8.16,3.47,;-6.83,1.15,)|

BDBM259610

O=C(CCSc1nccc(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:13.13,wD:16.20,(-2.25,.88,;-3.02,-.45,;-4.56,-.45,;-5.33,.88,;-6.87,.88,;-7.64,2.22,;-9.18,2.22,;-9.95,3.55,;-9.18,4.89,;-7.64,4.89,;-6.87,6.22,;-6.87,3.55,;-2.25,-1.78,;-.71,-1.78,;.06,-.45,;1.6,-.45,;2.37,-1.78,;1.6,-3.12,;.06,-3.12,;3.91,-1.78,;4.82,-.54,;6.28,-1.01,;6.28,-2.55,;4.82,-3.03,;7.37,-3.64,;6.97,-5.13,;8.06,-6.22,;9.55,-5.82,;9.95,-4.33,;8.86,-3.24,)|

BDBM259611

O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccncc1 |r,wU:17.18,wD:20.25,(-1.09,.88,;-1.86,-.45,;-3.4,-.45,;-4.17,.88,;-5.71,.88,;-6.48,2.22,;-8.02,2.22,;-8.79,3.55,;-10.33,3.55,;-11.1,4.89,;-10.33,6.22,;-8.79,6.22,;-8.02,4.89,;-6.48,4.89,;-5.71,6.22,;-5.71,3.55,;-1.09,-1.78,;.45,-1.78,;1.22,-.45,;2.76,-.45,;3.53,-1.78,;2.76,-3.12,;1.22,-3.12,;5.07,-1.78,;5.97,-.54,;7.44,-1.01,;7.44,-2.55,;5.97,-3.03,;8.53,-3.64,;8.13,-5.13,;9.22,-6.22,;10.7,-5.82,;11.1,-4.33,;10.01,-3.24,)|

BDBM259612

Clc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(11.45,-6.56,;10.36,-5.47,;8.87,-5.87,;7.78,-4.78,;8.18,-3.3,;9.67,-2.9,;10.76,-3.99,;7.09,-2.21,;7.09,-.67,;5.63,-.19,;4.72,-1.44,;5.63,-2.68,;3.18,-1.44,;2.41,-.1,;.87,-.1,;.1,-1.44,;.87,-2.77,;2.41,-2.77,;-1.44,-1.44,;-2.21,-.1,;-1.44,1.23,;-3.75,-.1,;-4.52,1.23,;-6.06,1.23,;-6.83,2.56,;-8.37,2.56,;-9.14,3.9,;-10.68,3.9,;-11.45,5.23,;-10.68,6.56,;-9.14,6.56,;-8.37,5.23,;-6.83,5.23,;-6.06,6.56,;-6.06,3.9,)|

BDBM259613

Fc1ccccc1-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(7.09,-1.41,;8.17,-2.5,;9.66,-2.1,;10.75,-3.19,;10.35,-4.67,;8.87,-5.07,;7.78,-3.98,;6.29,-4.38,;5.38,-5.63,;3.92,-5.15,;3.92,-3.61,;5.38,-3.14,;2.59,-2.84,;2.59,-1.3,;1.25,-.53,;-.08,-1.3,;-.08,-2.84,;1.25,-3.61,;-1.42,-.53,;-1.42,1.01,;-.08,1.78,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,)|

BDBM259614

Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(11.5,-2.79,;10.01,-3.19,;9.61,-4.67,;8.12,-5.07,;7.03,-3.98,;7.43,-2.5,;8.92,-2.1,;5.55,-4.38,;4.64,-5.63,;3.18,-5.15,;3.18,-3.61,;4.64,-3.14,;1.84,-2.84,;1.84,-1.3,;.51,-.53,;-.83,-1.3,;-.83,-2.84,;.51,-3.61,;-2.16,-.53,;-2.16,1.01,;-.83,1.78,;-3.49,1.78,;-4.83,1.01,;-6.16,1.78,;-7.49,1.01,;-8.83,1.78,;-10.16,1.01,;-11.5,1.78,;-11.5,3.32,;-10.16,4.09,;-8.83,3.32,;-7.49,4.09,;-7.49,5.63,;-6.16,3.32,)|

BDBM259615

Clc1ccccc1-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(7.09,-1.41,;8.17,-2.5,;9.66,-2.1,;10.75,-3.19,;10.35,-4.67,;8.87,-5.07,;7.78,-3.98,;6.29,-4.38,;5.38,-5.63,;3.92,-5.15,;3.92,-3.61,;5.38,-3.14,;2.59,-2.84,;2.59,-1.3,;1.25,-.53,;-.08,-1.3,;-.08,-2.84,;1.25,-3.61,;-1.42,-.53,;-1.42,1.01,;-.08,1.78,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,)|

BDBM259616

Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(10.06,-.61,;9.66,-2.1,;10.75,-3.19,;10.35,-4.67,;8.87,-5.07,;7.78,-3.98,;8.17,-2.5,;6.29,-4.38,;5.38,-5.63,;3.92,-5.15,;3.92,-3.61,;5.38,-3.14,;2.59,-2.84,;2.59,-1.3,;1.25,-.53,;-.08,-1.3,;-.08,-2.84,;1.25,-3.61,;-1.42,-.53,;-1.42,1.01,;-.08,1.78,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,)|

BDBM259617

Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(10.06,-.61,;9.66,-2.1,;10.75,-3.19,;10.35,-4.67,;8.87,-5.07,;7.78,-3.98,;8.17,-2.5,;6.29,-4.38,;5.38,-5.63,;3.92,-5.15,;3.92,-3.61,;5.38,-3.14,;2.59,-2.84,;2.59,-1.3,;1.25,-.53,;-.08,-1.3,;-.08,-2.84,;1.25,-3.61,;-1.42,-.53,;-1.42,1.01,;-.08,1.78,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,)|

BDBM259618

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccn1 |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.17,-2.5,;9.66,-2.1,;10.75,-3.19,;10.35,-4.67,;8.87,-5.07,)|

BDBM259619

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccncc1 |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.87,-5.07,;10.35,-4.67,;10.75,-3.19,;9.66,-2.1,;8.17,-2.5,)|

BDBM259620

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ncccn1 |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.87,-5.07,;10.35,-4.67,;10.75,-3.19,;9.66,-2.1,;8.17,-2.5,)|

BDBM259621

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccc(cc1)C#N |r,wU:16.17,wD:19.24,(-1.57,1.78,;-2.9,1.01,;-4.24,1.78,;-5.57,1.01,;-6.9,1.78,;-8.24,1.01,;-9.57,1.78,;-10.91,1.01,;-12.24,1.78,;-12.24,3.32,;-10.91,4.09,;-9.57,3.32,;-8.24,4.09,;-8.24,5.63,;-6.9,3.32,;-2.9,-.53,;-1.57,-1.3,;-.24,-.53,;1.1,-1.3,;1.1,-2.84,;-.24,-3.61,;-1.57,-2.84,;2.43,-3.61,;2.43,-5.15,;3.9,-5.63,;4.8,-4.38,;3.9,-3.14,;6.29,-3.98,;7.38,-5.07,;8.87,-4.67,;9.26,-3.19,;8.17,-2.1,;6.69,-2.5,;10.75,-2.79,;12.24,-2.39,)|

BDBM259622

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)C1CCOCC1 |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.87,-5.07,;10.35,-4.67,;10.75,-3.19,;9.66,-2.1,;8.17,-2.5,)|

BDBM259623

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1cccnc1 |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.17,-2.5,;9.66,-2.1,;10.75,-3.19,;10.35,-4.67,;8.87,-5.07,)|

BDBM259624

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1cccc(c1)C#N |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.87,-5.07,;10.35,-4.67,;10.75,-3.19,;9.66,-2.1,;8.17,-2.5,;10.06,-.61,;10.46,.88,)|

BDBM259625

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)C1CCCCC1 |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.87,-5.07,;10.35,-4.67,;10.75,-3.19,;9.66,-2.1,;8.17,-2.5,)|

BDBM259626

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(Cc2ccccc2)o1 |r,wU:16.17,wD:19.24,(-.43,2.79,;-1.76,2.02,;-3.09,2.79,;-4.43,2.02,;-5.76,2.79,;-7.1,2.02,;-8.43,2.79,;-9.76,2.02,;-11.1,2.79,;-11.1,4.33,;-9.76,5.1,;-8.43,4.33,;-7.1,5.1,;-7.1,6.64,;-5.76,4.33,;-1.76,.48,;-.43,-.29,;.91,.48,;2.24,-.29,;2.24,-1.83,;.91,-2.6,;-.43,-1.83,;3.57,-2.6,;3.57,-4.14,;5.04,-4.62,;5.94,-3.37,;7.43,-2.97,;8.52,-4.06,;8.12,-5.55,;9.21,-6.64,;10.7,-6.24,;11.1,-4.75,;10.01,-3.66,;5.04,-2.13,)|

BDBM259627

CC(C)(c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r,wU:11.15,wD:8.8,(9.61,-2.18,;8.12,-2.57,;7.72,-1.09,;6.63,-2.97,;5.73,-4.22,;4.26,-3.74,;4.26,-2.2,;5.73,-1.73,;2.93,-1.43,;2.93,.11,;1.6,.88,;.26,.11,;.26,-1.43,;1.6,-2.2,;-1.07,.88,;-1.07,2.42,;.26,3.19,;-2.4,3.19,;-3.74,2.42,;-5.07,3.19,;-6.41,2.42,;-7.74,3.19,;-9.07,2.42,;-10.41,3.19,;-10.41,4.73,;-9.07,5.5,;-7.74,4.73,;-6.41,5.5,;-6.41,7.04,;-5.07,4.73,;8.52,-4.06,;10.01,-4.46,;10.41,-5.95,;9.32,-7.04,;7.83,-6.64,;7.43,-5.15,)|

BDBM259628

Clc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(11.5,-2.79,;10.01,-3.19,;9.61,-4.67,;8.12,-5.07,;7.03,-3.98,;7.43,-2.5,;8.92,-2.1,;5.55,-4.38,;4.64,-5.63,;3.18,-5.15,;3.18,-3.61,;4.64,-3.14,;1.84,-2.84,;1.84,-1.3,;.51,-.53,;-.83,-1.3,;-.83,-2.84,;.51,-3.61,;-2.16,-.53,;-2.16,1.01,;-.83,1.78,;-3.49,1.78,;-4.83,1.01,;-6.16,1.78,;-7.49,1.01,;-8.83,1.78,;-10.16,1.01,;-11.5,1.78,;-11.5,3.32,;-10.16,4.09,;-8.83,3.32,;-7.49,4.09,;-7.49,5.63,;-6.16,3.32,)|

BDBM259629

O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1cnccn1 |r,wU:16.17,wD:19.24,(-.08,1.78,;-1.42,1.01,;-2.75,1.78,;-4.08,1.01,;-5.42,1.78,;-6.75,1.01,;-8.08,1.78,;-9.42,1.01,;-10.75,1.78,;-10.75,3.32,;-9.42,4.09,;-8.08,3.32,;-6.75,4.09,;-6.75,5.63,;-5.42,3.32,;-1.42,-.53,;-.08,-1.3,;1.25,-.53,;2.59,-1.3,;2.59,-2.84,;1.25,-3.61,;-.08,-2.84,;3.92,-3.61,;3.92,-5.15,;5.38,-5.63,;6.29,-4.38,;5.38,-3.14,;7.78,-3.98,;8.17,-2.5,;9.66,-2.1,;10.75,-3.19,;10.35,-4.67,;8.87,-5.07,)|

BDBM259630

O=C(CCS(=O)c1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:18.19,wD:21.26,(1.46,5.16,;.13,4.39,;-1.21,5.16,;-2.54,4.39,;-3.88,5.16,;-3.88,6.7,;-5.21,4.39,;-5.21,2.85,;-6.54,2.08,;-6.54,.54,;-7.88,-.23,;-9.21,.54,;-9.21,2.08,;-7.88,2.85,;-7.88,4.39,;-9.21,5.16,;-6.54,5.16,;.13,2.85,;1.46,2.08,;2.79,2.85,;4.13,2.08,;4.13,.54,;2.79,-.23,;1.46,.54,;5.46,-.23,;6.93,.25,;7.83,-1,;6.93,-2.24,;5.46,-1.77,;7.32,-3.73,;6.23,-4.82,;6.63,-6.31,;8.12,-6.7,;9.21,-5.62,;8.81,-4.13,)|

BDBM259631

O=C(CCSc1cc(=O)n2ccccc2n1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:20.25,wD:17.18,(4,6.1,;4,4.56,;2.67,3.79,;1.33,4.56,;,3.79,;-1.33,4.56,;-1.33,6.1,;-2.67,6.87,;-2.67,8.41,;-4,6.1,;-5.33,6.87,;-6.67,6.1,;-6.67,4.56,;-5.33,3.79,;-4,4.56,;-2.67,3.79,;5.33,3.79,;5.33,2.25,;4,1.48,;4,-.06,;5.33,-.83,;6.67,-.06,;6.67,1.48,;5.33,-2.37,;6.58,-3.28,;6.1,-4.74,;4.56,-4.74,;4.09,-3.28,;3.48,-5.83,;1.99,-5.43,;.9,-6.52,;1.3,-8.01,;2.79,-8.41,;3.87,-7.32,)|

BDBM259632

Fc1ccc2nc(SCCC(=O)N[C@H]3CC[C@@H](CC3)c3nnc(o3)-c3ccccc3)[nH]c(=O)c2c1 |r,wU:13.12,wD:16.19,(-11.1,5.33,;-10.33,4,;-11.1,2.67,;-10.33,1.33,;-8.79,1.33,;-8.02,,;-6.48,,;-5.71,-1.33,;-4.17,-1.33,;-3.4,-2.67,;-1.86,-2.67,;-1.09,-1.33,;-1.09,-4,;.45,-4,;1.22,-2.67,;2.76,-2.67,;3.53,-4,;2.76,-5.33,;1.22,-5.33,;5.07,-4,;5.97,-5.25,;7.44,-4.77,;7.44,-3.23,;5.97,-2.76,;8.53,-2.14,;10.01,-2.54,;11.1,-1.45,;10.7,.04,;9.22,.43,;8.13,-.65,;-5.71,1.33,;-6.48,2.67,;-5.71,4,;-8.02,2.67,;-8.79,4,)|