SMILES for Type-1/Type-2 angiotensin II receptor

CCCCc1nc(Cl)c(C=O)n1Cc1ccc2C3C(C(C(c4ccccc34)c2c1)C(O)=O)C(O)=O |TLB:28:27:19.18:21.26,22:21:16.27:19.18,32:18:16.27:21.26,THB:29:19:16.27:21.26,15:16:19.18:21.26|

BDBM50212349

CCCCc1nc(Cl)c(C=O)n1Cc1ccc2C3C(C(C(c4ccccc34)c2c1)c1nn[nH]n1)c1nn[nH]n1 |TLB:22:21:19.18:16.27,28:27:19.18:26.21,34:18:16.27:26.21,THB:15:16:19.18:26.21,29:19:16.27:26.21|

BDBM50212350

CCCCc1nc(Sc2ccccc2)c(C=O)n1Cc1ccc2C3C(C(C(c4ccccc34)c2c1)c1nn[nH]n1)c1nn[nH]n1 |TLB:28:27:25.24:22.33,34:33:25.24:32.27,40:24:22.33:32.27,THB:21:22:25.24:32.27,35:25:22.33:32.27|

BDBM50212351

CCCCc1nc(Cl)c(C=O)n1Cc1ccc-2c(c1)C(Cc1nn[nH]n1)c1ccccc-21

BDBM50212352

CCCCc1nc(Cl)c(C=O)n1Cc1ccc2-c3ccccc3C(O)(C(O)=O)c2c1

BDBM50212353

CCCCc1nc(Cl)c(C=O)n1Cc1ccc-2c(c1)C(C(O)=O)c1ccccc-21

BDBM50212354

CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)N1C(=O)C2(C)CC(C)(CC(C)(C2)C1=O)C(O)=O |TLB:33:32:31:26.28.25,27:26:20.32.21:31,THB:22:21:31:26.28.25,34:26:20.32.21:31|

BDBM50229417

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)N[C@H](C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O |wU:8.7,29.31,45.48,23.25,4.4,15.16,33.35,49.52,2.2,(2.77,5.03,;2.98,3.51,;1.76,2.57,;.33,3.15,;1.97,1.04,;.75,.1,;.95,-1.43,;2.38,-2.01,;-.26,-2.37,;-1.74,-1.94,;-2.61,-3.21,;-1.67,-4.43,;-.22,-3.91,;1.06,-4.78,;2.44,-4.11,;.94,-6.31,;-.17,-7.38,;-1.65,-6.95,;-2.87,-7.89,;-4.14,-7.02,;-3.71,-5.54,;-2.17,-5.5,;2.22,-7.18,;2.1,-8.72,;.71,-9.38,;-.56,-8.52,;.6,-10.92,;3.37,-9.58,;4.76,-8.91,;3.26,-11.12,;4.53,-11.99,;4.42,-13.52,;3.03,-14.19,;5.69,-14.39,;5.58,-15.92,;6.85,-16.79,;8.24,-16.12,;9.51,-16.99,;9.4,-18.52,;10.67,-19.39,;8.01,-19.19,;6.74,-18.33,;7.08,-13.72,;7.19,-12.18,;5.92,-11.32,;8.58,-11.51,;8.69,-9.98,;10.08,-9.31,;11.35,-10.18,;10.2,-7.77,;11.58,-7.11,;11.7,-5.57,;13.08,-4.9,;13.2,-3.36,;14.59,-2.7,;14.7,-1.16,;15.86,-3.56,;8.92,-6.91,;7.54,-7.58,;7.42,-9.11,;6.26,-6.71,;4.88,-7.38,;3.6,-6.51,;9.85,-12.38,;9.74,-13.92,;11.24,-11.71,;1.87,-11.79,;.33,-11.83,;1.76,-13.32,;3.39,.46,;3.6,-1.07,;4.61,1.4,)|

BDBM50229418

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)C(C)C)C(O)=O

BDBM50229502

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(C(N)=O)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O

BDBM50229419

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:20.21,63.65,8.8,2.2,wD:59.62,4.4,46.46,35.36,24.25,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.4,1.39,;-1.34,-.77,;,-1.54,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-5.35,-16.65,;-1.34,-5.4,;-2.41,-6.02,;-1.34,-4.17,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)|

BDBM50229504

[H][C@]1(CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)C(C)C)C(=O)N[C@@H](C)C(O)=O |r|

BDBM50228894

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |wU:57.60,4.4,44.44,24.25,wD:20.21,8.8,61.64,2.2,(10.41,1.37,;9.34,.76,;9.34,-.78,;10.41,-1.4,;8.01,-1.55,;6.67,-.78,;5.34,-1.55,;5.33,-2.78,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.41,1.39,;-1.34,-.77,;,-1.54,;4.01,.77,;5.35,1.53,;6.41,.91,;5.35,3.07,;6.69,3.84,;8.02,3.06,;8.02,1.83,;9.36,3.83,;10.7,3.06,;12.03,3.82,;13.37,3.05,;14.71,3.81,;16.04,3.04,;17.11,3.65,;16.03,1.81,;9.36,5.37,;8.03,6.14,;7.14,5.63,;8.03,7.68,;6.7,8.46,;6.7,9.48,;4.02,3.85,;2.95,3.24,;4.03,5.08,;8,-3.09,;6.94,-3.71,;9.34,-3.87,;9.33,-5.41,;10.67,-6.18,;12,-5.42,;13.4,-6.06,;14.43,-4.91,;13.66,-3.58,;12.15,-3.89,;8,-6.18,;7.11,-5.67,;8,-7.72,;9.25,-8.61,;8.77,-10.07,;7.23,-10.07,;6.76,-8.61,;5.3,-8.12,;5.05,-6.92,;4.14,-9.14,;2.68,-8.65,;2.44,-7.45,;1.52,-9.68,;1.73,-10.68,;.36,-9.29,)|

BDBM50229420

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O |wU:41.44,4.4,15.16,29.31,45.48,2.2,wD:8.7,25.27,(17.19,-2.97,;16.94,-4.18,;15.47,-4.65,;14.56,-3.83,;15.15,-6.16,;13.68,-6.63,;13.36,-8.14,;14.27,-8.97,;11.9,-8.62,;11.41,-10.08,;9.87,-10.07,;9.4,-8.6,;10.66,-7.73,;10.66,-6.19,;11.73,-5.57,;9.33,-5.41,;9.34,-3.87,;10.67,-3.1,;10.82,-1.58,;12.33,-1.27,;13.09,-2.61,;12.06,-3.74,;8,-6.18,;6.66,-5.4,;6.66,-4.38,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.4,1.39,;-1.33,-.77,;,-1.54,;1.33,-3.85,;1.33,-5.39,;2.4,-6.01,;-.01,-6.16,;-.01,-7.7,;-1.34,-8.47,;-2.41,-7.86,;-1.34,-10.02,;-2.68,-10.79,;-2.68,-12.33,;-4.01,-13.1,;-4.01,-14.64,;-5.34,-15.41,;-5.35,-16.64,;-6.41,-14.8,;-0,-10.78,;1.33,-10.01,;1.33,-8.78,;2.67,-10.78,;4,-10.01,;4.89,-10.52,;-1.34,-5.4,;-1.34,-4.17,;-2.41,-6.01,;5.32,-7.71,;6.38,-8.33,;4.25,-8.32,;16.29,-7.2,;17.46,-6.82,;16.03,-8.4,)|

BDBM50229421

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O

BDBM50030815

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|

BDBM50229503

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(O)cc1)C(C)C)C(O)=O

BDBM50229573

CCCCC1=NC(Cl)C(N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)=O |t:4|

BDBM50229575

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(C)=O |r,wU:44.47,28.30,48.58,8.15,59.62,2.2,69.72,wD:4.4,18.26,32.43,76.78,(6.67,-4.52,;6.33,-6.02,;4.86,-6.48,;3.73,-5.43,;4.52,-7.98,;5.65,-9.02,;7.12,-8.57,;7.46,-7.07,;8.26,-9.61,;7.92,-11.11,;6.45,-11.57,;5.21,-10.65,;3.95,-11.54,;4.41,-13.01,;5.95,-13.03,;9.73,-9.16,;10.86,-10.2,;10.52,-11.7,;12.33,-9.74,;12.67,-8.24,;11.54,-7.2,;11.72,-5.67,;10.32,-5.02,;9.27,-6.15,;10.03,-7.5,;13.46,-10.79,;14.93,-10.33,;15.27,-8.83,;16.06,-11.38,;17.53,-10.92,;18.66,-11.96,;18.32,-13.47,;20.13,-11.51,;20.47,-10,;19.34,-8.96,;17.87,-9.42,;16.74,-8.37,;17.08,-6.87,;15.95,-5.82,;18.55,-6.41,;19.68,-7.46,;21.26,-12.55,;22.73,-12.09,;23.07,-10.59,;23.87,-13.14,;25.34,-12.68,;26.47,-13.73,;26.13,-15.23,;27.94,-13.27,;29.07,-14.31,;28.73,-15.82,;27.26,-16.27,;26.92,-17.78,;25.45,-18.23,;24.32,-17.19,;25.11,-19.74,;28.28,-11.77,;29.75,-11.31,;30.88,-12.36,;30.09,-9.81,;31.56,-9.35,;31.9,-7.85,;30.77,-6.8,;33.37,-7.39,;28.96,-8.76,;27.49,-9.22,;23.53,-14.64,;22.06,-15.1,;24.66,-15.69,;15.72,-12.88,;16.85,-13.92,;14.25,-13.34,;13.12,-12.29,;3.05,-8.44,;2.71,-9.94,;1.92,-7.39,;.45,-7.85,;-.68,-6.8,;-2.15,-7.26,;-3.28,-6.22,;-4.75,-6.67,;-5.09,-8.18,;-3.96,-9.22,;-2.49,-8.76,;.11,-9.35,;-1.36,-9.81,;1.24,-10.4,)|

BDBM50229912

CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50229574

CCCc1nc2ccc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50229913

CCCc1nc2cccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50229914

CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50009719

CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

BDBM50230423

CCCCc1cc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50230424

CCCCc1nc2ccccc2n1Cc1ccc(cc1)C1=NNNN1

BDBM50230425

CCCCc1nc2ccccn2c1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50230426

CCCCc1nc(Cl)c2COc3cc(ccc3Cn12)-c1ccccc1C(O)=O

BDBM50230427

CCCCc1nc2ccccc2n1Cc1ccc(cc1Br)C(O)=O

BDBM50230428

CCCCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O

BDBM50230429

CCCCc1nc2ccc(F)cc2n1Cc1ccc(cc1)C(O)=O

BDBM50230430

CCCCc1nc(Cl)c2COc3cc(ccc3Cn12)C(O)=O

BDBM50230431

CCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O

BDBM50230432

CCCCc1nc2ccccc2n1Cc1ccc(cc1OC)C(O)=O

BDBM50230433

OC(=O)c1ccccc1-c1ccc(Cn2cnc3ccccc23)cc1

BDBM50230434

CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(C)c1

BDBM50003399

CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50230435

CCCCc1nc2cc(F)ccc2n1Cc1ccc(cc1)C(O)=O

BDBM50230436

CCCCc1nc2ccccc2n1Cc1ccc(cc1F)C(O)=O

BDBM50230437

CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(OC)c1

BDBM50230438

CCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(O)=O

BDBM50230439

CCCCc1nc2ccccc2n1Cc1ccc(cc1[N+]([O-])=O)C(O)=O

BDBM50230440

CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(Br)c1

BDBM50230441

CCCCc1nccn1Cc1ccc(cc1)-c1ccccc1C(O)=O

BDBM50230539

CCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O

BDBM50230880

CCCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230877

CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230907

CCCc1nc(c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;13.91,-9.05,;12.58,-8.29,;12.58,-6.76,;13.89,-5.99,;15.23,-6.73,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|

BDBM50230916

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C

BDBM50230918

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(O)=O)c1C

BDBM50230915

CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,)|

BDBM50230910

CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230911

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O

BDBM50230920

CCCCc1nc(c(C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230878

CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|

BDBM50230905

CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230889

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230888

CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230890

CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230902

CCCc1nc(c(\C=C(/C)C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230901

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230885

CCCc1nc(c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O

BDBM50230883

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|

BDBM50230881

CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.3,-11.62,;12.77,-12.09,;13.92,-11.05,;15.38,-11.53,;15.86,-12.98,;17.39,-12.98,;17.87,-11.49,;19.34,-11.05,;19.65,-9.55,;21.09,-9.07,;22.24,-10.09,;21.41,-7.57,;16.62,-10.62,;16.62,-9.07,;15.28,-8.3,;15.26,-6.74,;13.92,-6,;12.6,-6.77,;12.6,-8.3,;13.94,-9.07,;11.26,-6.01,;9.93,-6.77,;8.59,-6.01,;8.59,-4.44,;9.93,-3.68,;11.26,-4.44,;12.58,-3.67,;12.74,-2.14,;14.24,-1.8,;15.02,-3.14,;13.98,-4.28,;18.32,-14.23,;19.85,-14.2,;20.74,-12.96,;20.33,-15.67,;19.08,-16.6,;17.84,-15.69,;16.39,-16.17,)|

BDBM50230879

CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(=O)OC |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,)|

BDBM50230906

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|

BDBM50230914

CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;23.03,-12.59,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|

BDBM50230919

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230909

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230912

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230895

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)OC

BDBM50230882

CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1

BDBM50230896

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|

BDBM50230897

CCCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F

BDBM50230887

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F

BDBM50230891

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C=O

BDBM50230903

COC(=O)c1c(nc(C2CC2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(19.81,-9.98,;18.35,-10.45,;17.22,-9.43,;17.52,-7.94,;15.77,-9.9,;15.29,-11.37,;13.75,-11.37,;13.28,-9.91,;11.81,-9.43,;10.77,-8.29,;10.29,-9.75,;14.5,-9.01,;14.5,-7.46,;13.16,-6.7,;13.16,-5.14,;11.82,-4.39,;10.48,-5.17,;10.48,-6.7,;11.82,-7.46,;9.15,-4.4,;7.83,-5.17,;6.51,-4.4,;6.51,-2.84,;7.83,-2.08,;9.15,-2.84,;10.48,-2.07,;10.63,-.54,;12.14,-.2,;12.9,-1.54,;11.89,-2.68,;16.2,-12.61,;15.74,-14.07,;14.27,-14.55,;16.98,-14.97,;18.22,-14.05,;17.74,-12.59,;18.51,-11.85,)|

BDBM50230898

CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(c1)C(=O)OCC

BDBM50230899

CCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230900

CCCc1nc(c(\C=C(/C)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1

BDBM50230893

Cc1ccc(C)n1-c1nc(C2CC2)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(14.26,-14.55,;15.71,-14.07,;16.95,-14.97,;18.19,-14.05,;17.71,-12.59,;18.48,-11.85,;16.18,-12.61,;15.26,-11.37,;13.73,-11.37,;13.25,-9.91,;11.79,-9.43,;10.76,-8.29,;10.28,-9.75,;14.49,-9.01,;14.49,-7.46,;13.15,-6.7,;13.13,-5.14,;11.79,-4.39,;10.47,-5.17,;10.47,-6.7,;11.81,-7.46,;9.14,-4.4,;7.81,-5.17,;6.47,-4.4,;6.47,-2.84,;7.81,-2.08,;9.14,-2.84,;10.45,-2.07,;10.61,-.54,;12.11,-.2,;12.89,-1.54,;11.85,-2.68,;15.74,-9.9,;17.2,-9.43,;18.34,-10.45,;17.51,-7.94,)|

BDBM50230886

CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C

BDBM50230884

CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F