SMILES for Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]

149 SMILES Strings for Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]

Compound Name

SMILES String

BDBM230983

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

BDBM230986

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

BDBM230994

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

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,)|

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,)|

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|

BDBM50434157

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

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,)|

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

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

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,)|

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,)|

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,)|

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,)|