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1012 SMILES Strings for Prolyl endopeptidase

Compound NameSMILES String
BDBM50038879 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM10404 COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
BDBM11162 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
BDBM11695 OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
BDBM26660 Oc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50003020 CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
BDBM50009334 O=C(CNC(=O)c1ccncc1)N1CCC[C@H]1C#N |r|
BDBM50009331 COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|
BDBM50009333 O=C(Cc1c[nH]cn1)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009336 Brc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009339 O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|
BDBM50009342 O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009344 O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N |r|
BDBM50009346 O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N |r|
BDBM50009347 O=C(CNC(=O)c1ncn[nH]1)N1CCC[C@H]1C#N |r|
BDBM50009319 Clc1ccc(CN(CC(=O)N2CCC[C@H]2C#N)C(=O)c2ccnc3ccccc23)cc1 |r|
BDBM50009325 CN(CC(=O)N1CCC[C@H]1C#N)CC(=O)N1CCC[C@H]1C#N |r|
BDBM50009321 CC(C)CCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
BDBM50009324 CN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12 |r|
BDBM50009328 Fc1ccc(cc1)-c1cn(CC(=O)N2CCC[C@H]2C#N)nn1 |r|
BDBM50009330 O=C(Cn1cc(nn1)-c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50009314 C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
BDBM50009316 O=C(NC1(CC1)C(=O)N1CCC[C@H]1C#N)c1ccnc2ccccc12 |r|
BDBM50009317 CN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
BDBM50009366 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
BDBM50009341 O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r|
BDBM50009348 Cc1ncsc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009370 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
BDBM50009374 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2cccc(C#N)c12 |r|
BDBM50009352 O=C(CNC(=O)c1ccnc2[nH]ccc12)N1CCC[C@H]1C#N |r|
BDBM50009356 COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009350 Nc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009357 O=C(CNC(=O)c1ccnc2ncnn12)N1CCC[C@H]1C#N |r|
BDBM50009360 Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
BDBM50009361 O=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC[C@H]1C#N |r|
BDBM50009362 O=C(CNC(=O)c1ccnc2cccc(-c3ccccc3)c12)N1CCC[C@H]1C#N |r|
BDBM50009364 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
BDBM50005864 CC(C)c1ccc(C(=O)c2ccco2)c(SCCCCCCCCN(C)[11CH3])n1
BDBM50180675 [H][C@@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22|
BDBM50180678 [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
BDBM50180676 [H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24|
BDBM50180677 [H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23|
BDBM50005872 Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1 |r|
BDBM50005880 Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C#N)cc1 |r|
BDBM50005870 [11CH3]Nc1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1 |r|
BDBM50009001 Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
BDBM50454200 [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@@H](-[#6]-c2ccccc-12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50037596 OC(C1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)c1nccs1
BDBM50037597 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cscn1
BDBM50037598 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccc[nH]1
BDBM50037599 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cncs1
BDBM50037600 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccccn1
BDBM50037602 O=CC1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
BDBM50037603 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cncnc1
BDBM50037604 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ncc[nH]1
BDBM50037605 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
BDBM50037606 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2o1
BDBM50037607 CCOC(=O)C(=O)C1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
BDBM50037608 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cccnc1
BDBM50037609 O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1nccs1
BDBM50037610 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)C1=NCCS1 |t:28|
BDBM50037611 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ncccc2o1
BDBM50037612 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
BDBM50037613 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cccs1
BDBM50037614 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cccs1
BDBM50038888 O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1
BDBM50038889 O=C(CC1Cc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50038890 O=C(C[C@@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038891 O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50038892 O=C(CC1=Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1 |t:3|
BDBM50038893 O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50038894 O=C(CC1Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1
BDBM50038895 O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038896 O=C(CC1CCc2sccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038897 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1
BDBM50038898 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1
BDBM50038899 O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
BDBM50038864 O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1
BDBM50038865 O=C(Cc1cc2ccccc2o1)N1CCC[C@@H]1C(=O)N1CCCC1
BDBM50038866 O=C(CC1Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1
BDBM50038867 O=C(Cc1cc2ccccc2s1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038868 O=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
BDBM50038869 O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1
BDBM50038870 O=C(CCCC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038871 O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1
BDBM50038872 O=C(CC1Cc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50038873 O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1
BDBM50038874 O=C(C1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038875 O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50038876 O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1
BDBM50038878 O=C(CC1CCCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038880 O=C(CCC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038881 CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1
BDBM50038882 O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50038883 O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1
BDBM50038884 O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50038885 O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50038886 O=C(C[C@@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1
BDBM50038887 O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1
BDBM50050515 N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O
BDBM50050516 NCCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
BDBM50050517 CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
BDBM50050520 CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
BDBM50050521 OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
BDBM50050525 C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50050527 CC[C@H](N)C(=O)N1CCC[C@H]1B(O)O
BDBM50050528 CC(C)C[C@H](N)C(=O)N1CCC[C@H]1B(O)O
BDBM50050511 NCC(=O)N1CCC[C@H]1B(O)O |r|
BDBM50050513 CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50051547 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50051479 O=C(C1CC(C1)c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(7.73,-12.05,;6.4,-12.82,;6.39,-14.36,;5.3,-15.45,;6.39,-16.53,;7.47,-15.45,;6.39,-18.07,;7.72,-18.83,;7.72,-20.37,;6.38,-21.15,;5.05,-20.37,;5.05,-18.84,;5.06,-12.05,;3.73,-12.81,;2.41,-12.05,;2.41,-10.51,;3.73,-9.73,;2.95,-11.06,;4.44,-10.65,;5.06,-10.51,;6.4,-9.74,;7.73,-10.51,;6.4,-8.2,;7.65,-7.29,;7.17,-5.81,;5.65,-5.82,;5.16,-7.29,)|
BDBM50051480 O=C(CCCc1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50051481 COc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:10.12,20.24,8.8,(16.46,-15.17,;16.45,-13.63,;15.1,-12.86,;15.1,-11.32,;13.77,-10.55,;12.44,-11.35,;12.44,-12.89,;13.77,-13.63,;11.11,-10.58,;9.57,-10.58,;10.34,-9.25,;10.34,-7.71,;11.67,-6.94,;9.01,-6.94,;7.68,-7.68,;6.35,-6.94,;6.35,-5.4,;7.68,-4.6,;6.91,-5.93,;8.38,-5.54,;9.01,-5.4,;10.34,-4.63,;11.67,-5.4,;10.36,-3.09,;11.6,-2.18,;11.11,-.68,;9.6,-.71,;9.12,-2.18,)|
BDBM50051482 O=C(CC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051483 O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC=CC1 |c:28|
BDBM50051484 O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1cccs1)N1CCCC1 |wU:12.13,2.1,14.17,(12.52,-6.41,;11.18,-5.63,;9.85,-6.41,;8.52,-5.62,;7.19,-6.41,;7.19,-7.95,;8.52,-8.71,;9.22,-6.55,;7.75,-6.95,;9.85,-7.95,;11.18,-8.72,;12.52,-7.95,;11.18,-10.26,;10.41,-11.6,;11.96,-11.6,;13.29,-12.37,;13.45,-13.91,;14.95,-14.22,;15.72,-12.88,;14.69,-11.74,;11.21,-4.09,;9.97,-3.18,;10.44,-1.71,;11.96,-1.68,;12.45,-3.18,)|
BDBM50051485 CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:14.16,(10.06,-15.21,;11.39,-15.99,;12.88,-16.39,;11.39,-17.53,;12.72,-15.22,;12.72,-13.68,;14.05,-12.91,;11.39,-12.91,;10.06,-13.67,;8.73,-12.91,;8.73,-11.37,;10.06,-10.59,;9.29,-11.92,;10.76,-11.51,;11.39,-11.37,;12.72,-10.6,;14.05,-11.37,;12.74,-9.06,;11.5,-8.15,;11.98,-6.68,;13.49,-6.67,;13.98,-8.15,)|
BDBM50051486 O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,22.27,4.5,(11.04,-7.7,;9.71,-8.47,;9.71,-10.01,;8.94,-11.35,;10.48,-11.34,;11.81,-12.11,;11.81,-13.65,;13.14,-14.4,;14.47,-13.63,;15.8,-14.4,;17.13,-13.61,;17.13,-12.07,;15.78,-11.32,;14.47,-12.09,;13.14,-11.32,;8.38,-7.7,;7.05,-8.45,;7.75,-6.3,;6.26,-6.7,;7.05,-5.37,;5.72,-6.16,;5.72,-7.7,;8.38,-6.16,;9.71,-5.39,;11.04,-6.17,;9.71,-3.85,;10.97,-2.95,;10.48,-1.45,;8.97,-1.48,;8.48,-2.94,)|
BDBM50051487 O=C(CCCC(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(4.28,.47,;2.94,-.29,;2.93,-1.85,;1.6,-2.62,;1.59,-4.16,;.26,-4.93,;-1.08,-5.7,;-1.84,-7.04,;-2.61,-5.69,;1.59,-5.7,;2.36,-7.04,;3.13,-5.69,;1.6,.47,;.27,-.29,;-1.05,.47,;-1.05,2.01,;.27,2.78,;-.51,1.45,;.98,1.86,;1.6,2.01,;2.94,2.78,;4.28,2,;2.94,4.32,;1.71,5.24,;2.18,6.7,;3.72,6.71,;4.19,5.23,)|
BDBM50051488 O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,18.22,4.5,(12.37,-7.7,;11.04,-8.47,;11.04,-9.99,;10.27,-11.35,;11.81,-11.34,;13.14,-12.11,;13.14,-13.65,;14.47,-14.4,;15.8,-13.63,;15.8,-12.09,;14.47,-11.32,;9.71,-7.7,;8.38,-8.45,;7.05,-7.7,;7.05,-6.16,;8.38,-5.37,;7.61,-6.7,;9.08,-6.3,;9.71,-6.16,;11.04,-5.39,;12.37,-6.17,;11.06,-3.85,;9.82,-2.94,;10.3,-1.48,;11.81,-1.45,;12.3,-2.95,)|
BDBM50051489 O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)n1cccc1
BDBM50051491 OC1CCN(C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
BDBM50051492 O=C(CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1)NC(C1CC1)C1CC1 |wU:13.15,(8,-22.26,;9.34,-21.49,;9.34,-19.94,;8,-19.17,;8,-17.63,;9.34,-16.86,;6.67,-16.86,;5.34,-17.61,;6.04,-15.46,;4.56,-15.86,;5.34,-14.53,;4.01,-15.32,;4.01,-16.86,;6.67,-15.32,;8,-14.54,;9.34,-15.32,;8.02,-13,;9.27,-12.1,;8.78,-10.6,;7.26,-10.62,;6.78,-12.09,;10.69,-22.27,;12.02,-21.5,;11.98,-19.99,;12.72,-18.71,;11.18,-18.67,;13.34,-22.27,;14.12,-23.58,;14.86,-22.29,)|
BDBM50051494 O=C([C@H]1C[C@H]1c1ccccc1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
BDBM50051495 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1
BDBM50051496 FC(F)(F)c1cccc(c1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:12.14,22.26,10.10,(17.13,-12.07,;15.8,-11.32,;15.78,-9.78,;16.2,-12.79,;14.47,-12.09,;14.47,-13.63,;13.14,-14.4,;11.81,-13.65,;11.81,-12.11,;13.14,-11.32,;10.48,-11.34,;8.94,-11.35,;9.71,-10.01,;9.71,-8.47,;11.04,-7.7,;8.38,-7.7,;7.05,-8.45,;5.72,-7.7,;5.72,-6.16,;7.05,-5.37,;6.26,-6.7,;7.75,-6.31,;8.38,-6.16,;9.71,-5.39,;11.04,-6.17,;9.71,-3.85,;10.97,-2.95,;10.48,-1.45,;8.97,-1.48,;8.48,-2.94,)|
BDBM50051497 O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)N1CCCC1 |wU:12.13,2.1,14.17,(13.05,-5,;11.72,-4.22,;10.39,-4.99,;9.06,-4.21,;7.73,-4.99,;7.73,-6.53,;9.06,-7.29,;9.76,-5.13,;8.29,-5.54,;10.39,-6.53,;11.72,-7.3,;13.05,-6.53,;11.72,-8.83,;10.95,-10.18,;12.49,-10.17,;13.82,-10.94,;13.82,-12.48,;15.13,-13.25,;15.13,-14.79,;13.77,-15.56,;12.44,-14.77,;12.47,-13.23,;11.74,-2.68,;12.98,-1.78,;12.49,-.29,;10.97,-.31,;10.51,-1.77,)|
BDBM50051498 CCN(CC)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
BDBM50051499 O=C([C@H]1C[C@H]1c1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50051500 O=C([C@H]1C[C@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:18.22,wD:2.1,4.5,(12.37,-7.7,;11.04,-8.47,;11.04,-9.99,;10.27,-11.35,;11.81,-11.34,;13.14,-12.11,;13.14,-13.65,;14.47,-14.4,;15.8,-13.63,;15.8,-12.09,;14.47,-11.32,;9.71,-7.7,;8.38,-8.45,;7.05,-7.7,;7.05,-6.16,;8.38,-5.37,;7.61,-6.7,;9.08,-6.3,;9.71,-6.16,;11.04,-5.39,;12.37,-6.17,;11.06,-3.85,;9.82,-2.94,;10.3,-1.48,;11.81,-1.45,;12.3,-2.95,)|
BDBM50051501 O=C([C@@H]1C[C@@H]1Cc1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051502 CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CCCCC1
BDBM50051503 O=C(CCC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051504 O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1
BDBM50051505 O=C(CCCc1ccccc1)N1C2CCC(C2)[C@@H]1C(=O)N1CCCC1
BDBM50051506 O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
BDBM50051507 O=C(CCSC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051508 O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCO1
BDBM50051509 O=C(CCCC(C1CC1)C1CC1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
BDBM50051510 CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 |wD:14.16,(10.06,-15.21,;11.39,-15.99,;12.88,-16.39,;11.39,-17.53,;12.72,-15.22,;12.72,-13.68,;14.05,-12.91,;11.39,-12.91,;10.06,-13.67,;8.73,-12.91,;8.73,-11.37,;10.06,-10.59,;9.29,-11.92,;10.76,-11.51,;11.39,-11.37,;12.72,-10.6,;14.05,-11.37,;12.74,-9.06,;11.5,-8.15,;11.98,-6.68,;13.49,-6.67,;13.98,-8.15,)|
BDBM50051511 Fc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051512 CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CC=CC1 |wD:14.16,c:21,(11.27,-16.99,;11.28,-15.45,;9.94,-14.68,;12.76,-15.85,;12.61,-14.68,;12.61,-13.14,;13.94,-12.37,;11.28,-12.37,;9.95,-13.14,;8.62,-12.37,;8.62,-10.83,;9.95,-10.06,;9.17,-11.39,;10.65,-10.97,;11.28,-10.83,;12.61,-10.06,;13.94,-10.83,;12.62,-8.52,;13.87,-7.61,;13.39,-6.14,;11.86,-6.14,;11.39,-7.61,)|
BDBM50051513 O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCSC1 |wU:12.13,2.1,14.17,(12.4,-6.2,;11.07,-5.43,;9.73,-6.18,;8.4,-5.41,;7.07,-6.18,;7.07,-7.72,;8.4,-8.5,;9.1,-6.34,;7.62,-6.74,;9.73,-7.72,;11.07,-8.52,;12.4,-7.75,;11.07,-10.06,;10.3,-11.39,;11.84,-11.39,;13.17,-12.17,;13.17,-13.71,;14.5,-14.46,;15.84,-13.69,;15.84,-12.14,;14.5,-11.37,;11.08,-3.89,;12.31,-2.98,;11.84,-1.5,;10.3,-1.48,;9.8,-2.95,)|
BDBM50051514 CC1CCC(C)N1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
BDBM50051515 O=C([C@@H]1C[C@@H]1c1cccs1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051516 Cc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051517 CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCSC1 |wD:14.16,(11.41,-17.05,;11.41,-15.5,;10.07,-14.73,;12.9,-15.9,;12.75,-14.73,;12.75,-13.19,;14.08,-12.42,;11.41,-12.42,;10.08,-13.19,;8.75,-12.42,;8.75,-10.88,;10.08,-10.1,;9.3,-11.44,;10.78,-11.03,;11.41,-10.88,;12.75,-10.1,;14.08,-10.89,;12.76,-8.56,;14.01,-7.67,;13.53,-6.18,;12,-6.19,;11.52,-7.65,)|
BDBM50051518 FC(F)(F)C(CCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
BDBM50051520 FC(F)(F)c1cccc(c1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051521 O=C(CCCc1ccccc1)N1C2CCC(CC2)C1C(=O)n1ccnc1 |(2.01,-12.58,;.68,-13.35,;.68,-14.89,;-.65,-15.66,;-.67,-17.2,;-2,-17.97,;-1.98,-19.51,;-3.33,-20.28,;-4.66,-19.51,;-4.66,-17.97,;-3.33,-17.2,;-.65,-12.58,;-1.98,-13.35,;-3.31,-12.58,;-3.31,-11.04,;-1.98,-10.27,;-2.77,-11.6,;-1.28,-11.2,;-.65,-11.04,;.68,-10.27,;2.01,-11.06,;.68,-8.73,;-.58,-7.8,;-.09,-6.35,;1.45,-6.38,;1.91,-7.85,)|
BDBM50051522 O=C(NC1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
BDBM50051523 O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051524 O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@@H]1C(=O)c1cccs1 |wD:18.21,(2.01,-12.42,;.68,-13.19,;.68,-14.73,;-.65,-15.5,;-.67,-17.04,;-2,-17.8,;-1.98,-19.33,;-3.33,-20.1,;-4.66,-19.33,;-4.66,-17.79,;-3.33,-17.02,;-.65,-12.42,;-1.98,-13.18,;-3.31,-12.42,;-3.31,-10.88,;-1.98,-10.1,;-2.77,-11.43,;-1.28,-11.02,;-.65,-10.88,;.68,-10.11,;2.01,-10.88,;.68,-8.57,;-.58,-7.64,;-.09,-6.18,;1.45,-6.21,;1.91,-7.68,)|
BDBM50051525 CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CCCCCC1
BDBM50051526 O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:18.21,(.21,-12.14,;-1.12,-12.91,;-1.14,-14.46,;-2.47,-15.23,;-2.47,-16.77,;-3.8,-17.54,;-3.8,-19.08,;-5.14,-19.85,;-6.48,-19.08,;-6.47,-17.54,;-5.14,-16.76,;-2.47,-12.14,;-3.8,-12.91,;-5.12,-12.14,;-5.12,-10.6,;-3.8,-9.83,;-4.58,-11.16,;-3.09,-10.76,;-2.47,-10.6,;-1.12,-9.83,;.21,-10.62,;-1.11,-8.29,;-2.35,-7.37,;-1.89,-5.92,;-.35,-5.9,;.12,-7.39,)|
BDBM50051527 O=C([C@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051528 O=C(CCCc1ccccc1)N1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 |wD:18.21,(12.42,-6.15,;11.09,-6.92,;11.07,-8.46,;9.73,-9.24,;9.73,-10.78,;8.4,-11.55,;8.4,-13.08,;7.07,-13.85,;5.74,-13.08,;5.74,-11.54,;7.07,-10.76,;9.73,-6.15,;8.4,-6.92,;7.09,-6.15,;7.09,-4.61,;8.4,-3.83,;7.63,-5.17,;9.13,-4.75,;9.73,-4.61,;11.09,-3.83,;12.42,-4.61,;11.09,-2.29,;9.85,-1.38,;10.32,.09,;11.86,.09,;12.33,-1.39,)|
BDBM50051529 O=C([C@@H]1C[C@@H]1c1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50051530 CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N1CC2CCC1CC2 |wU:8.7,13.14,(8.87,-10.03,;7.78,-8.94,;7,-10.27,;7.02,-7.59,;9.32,-8.94,;10.1,-7.61,;11.64,-7.63,;9.34,-6.28,;7.89,-5.81,;6.56,-6.56,;5.23,-5.81,;5.23,-4.28,;6.54,-3.51,;7.89,-4.27,;9.32,-3.79,;10.24,-5.05,;11.78,-5.05,;12.55,-6.38,;12.55,-3.71,;13.88,-2.95,;13.88,-1.41,;12.74,-2.94,;11.98,-1.61,;11.22,-2.95,;11.22,-1.41,;12.55,-.64,)|
BDBM50051531 Clc1ccc(CNC(=O)CCC(=O)N2CCC[C@H]2C=O)cc1
BDBM50051532 O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1=O
BDBM50051533 FC(F)(F)C(CCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)C1CCCC1
BDBM50051534 O=C(CCCc1ccccc1)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CCCC1
BDBM50051535 O=C(CCCCC(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(8.06,-.37,;6.73,-1.14,;6.73,-2.68,;5.4,-3.45,;5.37,-4.99,;4.04,-5.76,;4.04,-7.3,;2.71,-8.06,;1.2,-8.06,;1.94,-9.4,;5.37,-8.06,;6.14,-9.4,;6.91,-8.06,;5.4,-.37,;4.07,-1.14,;4.77,1.02,;3.27,.61,;4.07,1.94,;2.74,1.17,;2.74,-.37,;5.4,1.17,;6.73,1.94,;8.06,1.16,;6.73,3.48,;5.49,4.39,;5.98,5.85,;7.5,5.87,;7.99,4.38,)|
BDBM50051536 O=C(CCCC=C(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(12.28,-11.07,;10.95,-11.84,;10.95,-13.38,;12.28,-14.15,;11.89,-15.65,;13.21,-16.41,;13.2,-17.96,;12.17,-19.11,;11.85,-20.58,;10.73,-19.6,;14.67,-18.22,;15.78,-19.18,;16.12,-17.7,;9.62,-11.07,;8.29,-11.83,;6.95,-11.07,;6.95,-9.52,;8.29,-8.74,;7.51,-10.08,;8.99,-9.68,;9.62,-9.52,;10.95,-8.75,;12.28,-9.54,;10.97,-7.21,;9.73,-6.3,;10.2,-4.84,;11.72,-4.82,;12.21,-6.31,)|
BDBM50051537 Fc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:9.11,19.23,7.7,(16.51,-14.29,;15.16,-13.54,;15.16,-11.98,;13.83,-11.22,;12.49,-11.99,;12.49,-13.54,;13.83,-14.31,;11.16,-11.22,;9.62,-11.23,;10.39,-9.89,;10.39,-8.35,;11.72,-7.58,;9.06,-7.58,;7.72,-8.35,;6.39,-7.58,;6.39,-6.03,;7.72,-5.26,;6.94,-6.59,;8.43,-6.18,;9.06,-6.03,;10.39,-5.26,;11.72,-6.04,;10.4,-3.72,;9.17,-2.81,;9.64,-1.34,;11.16,-1.33,;11.65,-2.81,)|
BDBM50051538 FC(F)(F)C(=C\C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)\c1ccccc1
BDBM50051539 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50051540 CC(C)(C)OC(=O)N1C2CCC(C2)[C@@H]1C(=O)N1CCCC1
BDBM50051541 FC(F)(F)C(CCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
BDBM50051542 O=C(CCCC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
BDBM50051543 O=C([C@@H]1C2CCC(CC2)N1C(=O)C1CC1Cc1ccccc1)N1CCCC1 |wU:2.1,(13.05,-9.15,;11.72,-8.36,;10.39,-9.13,;9.06,-8.35,;7.73,-9.13,;7.73,-10.67,;9.06,-11.43,;9.76,-9.27,;8.28,-9.68,;10.39,-10.67,;11.72,-11.44,;13.05,-10.67,;11.72,-12.98,;10.95,-14.33,;12.49,-14.31,;13.82,-15.08,;13.81,-16.62,;15.13,-17.39,;15.12,-18.93,;13.77,-19.7,;12.44,-18.91,;12.47,-17.37,;11.74,-6.82,;12.98,-5.93,;12.49,-4.44,;10.97,-4.46,;10.5,-5.91,)|
BDBM50051544 O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC=C1 |c:29|
BDBM50051545 CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CC2CCCC2C1 |wD:14.16,(11.16,-17.66,;11.18,-16.12,;9.83,-15.34,;12.65,-16.52,;12.51,-15.35,;12.51,-13.81,;13.84,-13.04,;11.18,-13.04,;9.85,-13.8,;8.52,-13.04,;8.52,-11.5,;9.85,-10.72,;9.06,-12.05,;10.55,-11.64,;11.18,-11.5,;12.51,-10.73,;13.84,-11.51,;12.51,-9.19,;13.77,-8.29,;13.28,-6.81,;13.75,-5.35,;12.51,-4.46,;11.28,-5.37,;11.76,-6.82,;11.28,-8.28,)|
BDBM50051546 O=C(CC\C=C\C(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(9.28,-16.32,;7.95,-17.09,;7.93,-18.63,;9.28,-19.41,;9.26,-20.95,;10.61,-21.72,;11.31,-23.09,;10.94,-24.59,;11.34,-26.04,;9.89,-25.69,;12.74,-22.63,;14.17,-22.97,;13.77,-21.5,;6.6,-16.32,;5.27,-17.08,;3.95,-16.32,;3.95,-14.78,;5.27,-14,;4.5,-15.33,;5.98,-14.92,;6.6,-14.78,;7.95,-14.01,;9.28,-14.78,;7.95,-12.46,;6.72,-11.55,;7.18,-10.08,;8.72,-10.07,;9.19,-11.55,)|
BDBM50051548 CC1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
BDBM50051549 O=C(CCCc1ccccc1)N1C2CCC(CC2)C1C(=O)n1cccn1 |(2.01,-12.58,;.68,-13.35,;.68,-14.89,;-.65,-15.66,;-.67,-17.2,;-2,-17.97,;-1.98,-19.51,;-3.33,-20.28,;-4.66,-19.51,;-4.66,-17.97,;-3.33,-17.2,;-.65,-12.58,;-1.98,-13.35,;-3.31,-12.58,;-3.31,-11.04,;-1.98,-10.27,;-2.77,-11.6,;-1.28,-11.2,;-.65,-11.04,;.68,-10.27,;2.01,-11.06,;.68,-8.73,;-.58,-7.8,;-.09,-6.35,;1.45,-6.38,;1.91,-7.85,)|
BDBM50051550 CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N1CCC1
BDBM50058473 CC(C)C(NC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)NC(=O)CSc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
BDBM50061510 CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1
BDBM50061512 CC(NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2o1
BDBM50074756 CC(=O)Nc1cccc(OP(=O)(Oc2cccc(NC(C)=O)c2)C2CCCN2C(=O)C2CCC[NH2+]2)c1
BDBM50075125 O=C([C@H]1C[C@@H]1c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
BDBM50075126 O=C(CCCCc1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
BDBM50075127 CC(C)(C)OC(=O)NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
BDBM50075128 O=C(NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)OCc1ccccc1
BDBM50075129 FC(F)(F)c1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1
BDBM50075130 CC(=O)CCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
BDBM50075131 O=C(Cc1cccs1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
BDBM50075132 CC1CCC(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1 |wU:17.19,(-2.79,-4.97,;-2.78,-3.43,;-1.44,-2.66,;-1.44,-1.12,;-2.77,-.35,;-2.77,1.19,;-1.44,1.96,;-.11,1.19,;-1.44,3.5,;-2.77,4.26,;-2.77,5.8,;-4.1,6.57,;-4.12,8.08,;-2.79,8.87,;-1.45,8.1,;-1.44,6.58,;-.11,5.8,;-.11,4.26,;1.22,3.49,;1.22,1.95,;2.55,4.26,;3.95,3.63,;4.99,4.78,;4.21,6.11,;2.71,5.8,;-4.11,-1.12,;-4.11,-2.64,)|
BDBM50075133 O=C(NCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)OCc1ccccc1
BDBM50075134 Cc1cc(Cl)ccc1OCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
BDBM50075135 O=C(CCCc1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
BDBM50088247 CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
BDBM50118914 O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCCC1
BDBM50118915 O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
BDBM50118916 O=C(CCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
BDBM50118917 CC(C)(CC(=O)N1CCCC1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50118918 O=C(C1CCCN1C(=O)c1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
BDBM50118908 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1C(=O)N1CCCC1
BDBM50118909 O=C(C1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
BDBM50118910 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1C(=O)N1CCCC1
BDBM50118912 O=C(C1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)N1CCCC1
BDBM50118913 O=C(CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
BDBM50135630 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
BDBM50135631 COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
BDBM50135632 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
BDBM50135633 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
BDBM50135634 C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
BDBM50135635 O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
BDBM50135636 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
BDBM50135637 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
BDBM50134150 CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50134151 O=C([C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCNCC1)N1CCCC1
BDBM50134152 O=C(C1CCCC1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
BDBM50134153 C[C@H](NC(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)C(=O)N1CCCC1
BDBM50134154 CC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N
BDBM50134155 CC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50134156 O=C(C1CCCC1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50134157 O=C(CNC(=O)c1cccc(c1)C(=O)NCC(=O)N1CCCC1)N1CCCC1
BDBM50134158 C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CCCC1)C(=O)N1CCCC1
BDBM50134159 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)c1ccccc1)N1CCC[C@@H]1C#N
BDBM50134160 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50134161 O=C([C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N)C1CCCCC1
BDBM50134162 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50134163 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)N1CCCC1
BDBM50134164 CC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)CO
BDBM50134165 O=C([C@@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)N1CCCC1
BDBM50134166 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
BDBM50134167 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50134168 OCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)C1CCCC1
BDBM50134169 CSCC[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](CCSC)C(=O)N1CCCC1)C(=O)N1CCCC1
BDBM50134170 CC(C)(CC(=O)N1CCC[C@H]1C(=O)C1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CO
BDBM50134171 O=C([C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCCC1)N1CCCC1
BDBM50134172 CC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50134173 COC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50134174 CC(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N
BDBM50134175 O=C(C1CCCC1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#N
BDBM50134176 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)c1ccccc1)N1CCCC1
BDBM50134177 COC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
BDBM50134178 O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@@H]1C(=O)N1CCCC1
BDBM50141632 N[C@@H]([C@H]1CC[C@@H](O)C1)C(=O)N1CCCC1
BDBM50141633 N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1
BDBM50141634 N[C@@H]([C@@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
BDBM50141635 COc1ccc(NC(=O)O[C@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
BDBM50141637 COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
BDBM50141638 N[C@@H]([C@H]1CC[C@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCCC1
BDBM50141639 N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1
BDBM50141640 N[C@@H]([C@H]1CCC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
BDBM50141641 CS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141643 COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
BDBM50141644 N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1
BDBM50141645 N[C@@H]([C@@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
BDBM50141646 CO[C@@H]1CCC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141648 N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
BDBM50141649 N[C@@H]([C@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1
BDBM50141650 N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1
BDBM50141651 COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
BDBM50141652 N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1
BDBM50141654 CS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141655 N[C@@H]([C@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1
BDBM50141656 COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
BDBM50141658 CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141615 CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141616 N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)N1CCCC1
BDBM50141617 CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141618 COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1
BDBM50141619 N[C@@H]([C@H]1CCC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
BDBM50141620 N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1
BDBM50141621 N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
BDBM50141622 COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1
BDBM50141623 N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1
BDBM50141624 N[C@@H]([C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1
BDBM50141625 N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCSC1
BDBM50141626 CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141627 N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(=O)(=O)C(F)(F)F)C(=O)N1CCCC1
BDBM50141628 N[C@@H]([C@@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
BDBM50141629 N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
BDBM50141630 CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
BDBM50141631 N[C@@H]([C@@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
BDBM50141661 N[C@@H]([C@H]1CCC[C@H](O)C1)C(=O)N1CCCC1
BDBM50141663 N[C@@H]([C@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1
BDBM50141664 N[C@@H]([C@H]1CC[C@H](O)C1)C(=O)N1CCCC1
BDBM50141666 N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCSC1
BDBM50151003 CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N
BDBM50153381 COC(=O)Cc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)CC([NH3+])Cc2ccccc2F)cc1
BDBM50153382 CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O
BDBM50153384 CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2cc(F)ccc2F)cc1)C(O)=O
BDBM50153404 CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C([NH3+])C2CCCCC2)cc1)C(O)=O
BDBM50155834 O=C(CCCc1ccccc1)C1=CCCC1C(=O)N1CCCC1 |t:12|
BDBM50155835 O=C(NCc1ccccc1)C1=C(CCC1)C(=O)N1CCCC1 |t:11|
BDBM50155836 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)NCc1ccccc1 |c:15|
BDBM50155837 OCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC=C1C(=O)NCc1ccccc1 |c:15|
BDBM50155838 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50155839 O=C(CCCc1ccccc1)C1=CCC[C@H]1C(=O)N1CCC[C@H]1C#N |t:12|
BDBM50155840 O=C(NCc1ccccc1)C1=CCCC1C(=O)N1CCCC1 |t:11|
BDBM50155841 O=C(CCCc1ccccc1)C1=CCC[C@@H]1C(=O)N1CCC[C@H]1C#N |t:12|
BDBM50170680 O=C([C@@H]1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
BDBM50170681 CSCC[C@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](CCSC)C(=O)N1CCCC1)C(=O)N1CCCC1
BDBM50170682 O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50170683 O=C(CCCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50170684 O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170685 O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
BDBM50170686 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)C1CCCCC1
BDBM50170687 O=C(CCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170688 O=C(CCCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170689 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
BDBM50170690 CC(C)C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50170691 O=C([C@@H]1CCCN1C(=O)c1ccccc1C(=O)N1CCCC1)N1CCCC1
BDBM50170692 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)c1ccccc1)N1CCC[C@H]1C#N
BDBM50170693 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)C1CCCC1
BDBM50170694 O=C([C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)N1CCCC1
BDBM50170695 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1)N1CCC[C@H]1C#N
BDBM50170696 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCCCC1)N1CCC[C@H]1C#N
BDBM50170697 O=C(CCC(=O)N1CCOCC1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170698 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)c1ccccc1)N1CCCC1
BDBM50170699 O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)N1CCCC1
BDBM50170700 CC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170701 O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
BDBM50170702 O=C(CCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170703 O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170704 O=C(CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170705 O=C(CCC(=O)N1CCCCCC1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50170706 C[C@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](C)C(=O)N1CCCC1)C(=O)N1CCCC1
BDBM50170707 CC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CO
BDBM50170708 O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCC[C@H]1C#N
BDBM50170709 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170710 O=C([C@@H]1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCCC1)N1CCC[C@H]1C#N
BDBM50170711 O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50170712 CC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)CC(=O)N1CCCCCC1
BDBM50170713 O=C([C@@H]1CCCN1C(=O)c1ccccc1C(=O)N1CCCC1)N1CCC[C@H]1C#N
BDBM50170714 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCCC1)N1CCCC1
BDBM50170715 CC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
BDBM50170716 O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCNCC1)N1CCCC1
BDBM50176777 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|
BDBM50176778 OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12 |r|
BDBM50193665 CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc1ccccc1)C(=O)N1CCCC1
BDBM50196928 CCCC[C@H](NC(=O)[C@@H](N)CCN)B(O)O
BDBM50196929 NCC[C@H](N)C(=O)N1CC[C@H]2CCC[C@@H]12
BDBM50200723 OB(O)[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O
BDBM50200724 CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)C1CCC(=O)N1
BDBM50200725 CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)c1ccccc1
BDBM50200720 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1Cl
BDBM50200721 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCCC1
BDBM50200722 CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
BDBM50200726 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCC1
BDBM50200727 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1
BDBM50200728 OB(O)[C@@H]1CCCN1C(=O)CCC(=O)c1ccccc1
BDBM50200730 CC(=O)NCC(=O)N1CCC[C@H]1B(O)O
BDBM50200731 OB(O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O
BDBM50200732 CC(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
BDBM50200733 CC(C)C(=O)N(C)CC(=O)N1CCC[C@H]1B(O)O
BDBM50200734 C[C@@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O
BDBM50200735 CS(=O)(=O)NCC(=O)N1CCC[C@H]1B(O)O
BDBM50200736 CN(CC(=O)N1CCC[C@H]1B(O)O)C(C)=O
BDBM50200729 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl
BDBM50203126 COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
BDBM50206820 N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
BDBM50206821 N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
BDBM50228403 CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
BDBM50240495 CCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1 |r|
BDBM50240498 CCCCCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50251681 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)c(C#N)c(F)c1 |r|
BDBM50251682 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1Cl)C#N |r|
BDBM50251683 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(Cl)c1 |r|
BDBM50251684 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C(F)(F)F)C#N |r|
BDBM50251641 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1)C#N |r|
BDBM50251642 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1F)C#N |r|
BDBM50251643 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C#N)c(F)c1 |r|
BDBM50251786 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r|
BDBM50251787 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1c(F)cccc1C#N |r|
BDBM50251788 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(F)c1C#N |r|
BDBM50251789 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cc1C#N)C(F)(F)F |r|
BDBM50251817 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(F)cc1C#N |r|
BDBM50251818 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(F)c1C#N |r|
BDBM50251819 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cc(F)cc(c1)C#N |r|
BDBM50251719 CC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
BDBM50251720 CCOC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
BDBM50251721 NC(=O)c1ccc(cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
BDBM50251757 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccc1C#N |r|
BDBM50251758 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(Cl)c1C#N |r|
BDBM50251852 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccn1 |r|
BDBM50251853 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccc(n1)C(F)(F)F |r|
BDBM50251854 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nccs1 |r|
BDBM50251855 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cnc2ccccc2n1 |r|
BDBM50249479 FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
BDBM50250726 C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]1(COC(C)=O)[C@H]3[C@H](C=C[C@H]1OC(=O)c1ccccc1)C(C)(C)O[C@]3(C)C2=O |r,c:25|
BDBM50251410 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2s1 |r|
BDBM50251411 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1nc2ccccc2o1 |r|
BDBM50251413 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccccn1 |r|
BDBM50251414 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(Cl)cn1 |r|
BDBM50251427 [O-][N+](=O)c1ccc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
BDBM50251465 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C(F)(F)F |r|
BDBM50251466 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
BDBM50251467 [O-][N+](=O)c1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
BDBM50251468 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ncccc1C#N |r|
BDBM50251491 FC1(F)C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(cn1)C#N |r|
BDBM50241260 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
BDBM50241261 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
BDBM50241262 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
BDBM50241263 COC(=O)[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]12C |r,t:22|
BDBM50242173 O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50241654 COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4 |r|
BDBM50259880 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12 |r|
BDBM50259883 COC(=O)[C@@]1(C)[C@@H](CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@]5(C)CC[C@@]4(CO)[C@]3(C)CC[C@@H]12)C(C)=C)OC(C)=O |r|
BDBM50253621 N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50269566 CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
BDBM50269567 CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c(O)c1-c1ccc(O)cc1
BDBM50279825 O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
BDBM50279826 O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1
BDBM50279827 O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
BDBM50284617 O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C1SCCS1
BDBM50284618 O=CC1CSCN1C(=O)C1CSCN1C(=O)OCc1ccccc1
BDBM50284619 O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C1OCCO1
BDBM50284620 COC(OC)C1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
BDBM50284621 COC(OC)C1CSCN1C(=O)C1CSCN1C(=O)OCc1ccccc1
BDBM50284622 OCC1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
BDBM50284623 COCC1COC(O1)C1CCCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
BDBM50284624 COC(OC)C1CSCN1C(=O)C1CCCN1C(=O)OCc1ccccc1
BDBM50284126 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
BDBM50284127 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nccs1
BDBM50273195 C[C@@H]1OC(OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50291168 C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
BDBM50291169 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
BDBM50291171 NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
BDBM50289643 CCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289645 CCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50291163 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)c1nccs1
BDBM50291164 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
BDBM50292332 COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
BDBM50289642 CCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289644 CCCCCCCC\C=C/CCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289646 CCCCC\C=C(/C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50289631 CCCCCCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289632 CCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289633 CCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289634 CCCCC\C=C\C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50289635 CCC\C=C\C=C(/C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
BDBM50289636 CCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289637 CCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289638 CCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289639 CCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289640 CCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50289641 CCCCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
BDBM50275012 O=C(CCCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50274959 O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50274983 FC1(F)C[C@H](N(C1)C(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1 |r|
BDBM50274984 O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50274985 O=C(CCn1c2ccccc2nc(-c2ccccc2)c1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50274986 O=C(CCCn1c2ccccc2nc(-c2ccccc2)c1=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50302955 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1CC1)Cc1cc(F)c(F)cc1F |r|
BDBM50302956 CC(C)(C)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50302957 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(CC2CC2)no1)Cc1cc(F)c(F)cc1F |r|
BDBM50302958 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
BDBM50302959 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCOCC1)Cc1cc(F)c(F)cc1F |r|
BDBM50302960 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCCC1)Cc1cc(F)c(F)cc1F |r|
BDBM50302961 CS(=O)(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50302962 CC(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50302963 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ccccn1)Cc1cc(F)c(F)cc1F |r|
BDBM50302964 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1cnccn1)Cc1cc(F)c(F)cc1F |r|
BDBM50302965 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncccn1)Cc1cc(F)c(F)cc1F |r|
BDBM50302966 N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncc(F)cc1F)Cc1cc(F)c(F)cc1F |r|
BDBM50302967 N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1CC1)Cc1cc(F)c(F)cc1F |r|
BDBM50302968 N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
BDBM50302969 N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(O)CC1)Cc1cc(F)c(F)cc1F |r|
BDBM50302970 N[C@@H](CC(=O)N1CCC[C@H]1c1noc(n1)C1(F)CC1)Cc1cc(F)c(F)cc1F |r|
BDBM50302971 CC(C)(F)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50302972 CC1(COC1)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50302973 CC(C)(C)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50303448 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
BDBM50310584 NN(CC(=O)N1CSC[C@H]1C#N)C1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 |r|
BDBM50316828 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=S)N1CCSC1 |r|
BDBM50321860 O=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50316817 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1 |r|
BDBM50316818 O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r|
BDBM50316819 OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccc(Cl)cc1 |r|
BDBM50316820 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
BDBM50316821 CC(C)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
BDBM50316822 O=C(CCC1CCCCC1)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
BDBM50316823 O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1 |r|
BDBM50316824 CCOC(=O)c1ccc2[n+](C)c(c3CCOc3c2c1)-c1ccc(Cl)cc1
BDBM50316825 COC(OC)[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 |r|
BDBM50316826 OC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50316827 ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 |r|
BDBM50316829 O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCO1 |r|
BDBM50316830 O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)n1cccc1 |r|
BDBM50316831 O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC=CC1 |r,c:28|
BDBM50316832 O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC=C1 |r,c:29|
BDBM50316833 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCOC1 |r|
BDBM50316834 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCS(=O)C1 |r|
BDBM50316835 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCSC1 |r|
BDBM50316836 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1C#N |r|
BDBM50316837 O=C(CCCc1ccccc1)C1=C(CCC1)C(=O)N1CCCC1 |t:12|
BDBM50316838 O=C(CCCc1ccccc1)N1CCC[C@H]1CN1CCCC1 |r|
BDBM50316839 O=C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 |r|
BDBM50316840 O=C[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 |r|
BDBM50316841 O=C([C@@H]1C[C@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |r,wU:2.1,18.22,wD:4.5,(-3.55,-32.74,;-4.32,-31.4,;-5.86,-31.4,;-7.2,-30.64,;-7.19,-32.18,;-7.95,-33.52,;-9.5,-33.52,;-10.26,-34.86,;-9.49,-36.19,;-7.94,-36.18,;-7.18,-34.84,;-3.7,-29.99,;-4.46,-28.67,;-3.68,-27.34,;-2.14,-27.35,;-1.39,-28.69,;-2.73,-29.37,;-3.13,-27.89,;-2.16,-30,;-1.4,-31.34,;-2.18,-32.67,;.14,-31.36,;1.04,-32.6,;2.51,-32.13,;2.52,-30.59,;1.05,-30.1,)|
BDBM50316842 CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM50326373 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50326374 O=C(CNC(=O)c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50326392 FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r|
BDBM50312221 C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM50312222 O=C(NCC(=O)N1CCC[C@H]1C#N)OCc1ccccc1 |r|
BDBM50312223 O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1 |r|
BDBM50312224 O=C(NCC(=O)N1CCC[C@@H]1C#N)OCc1ccccc1 |r|
BDBM50338518 N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
BDBM50337787 CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
BDBM50350169 N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 |r|
BDBM50351402 Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
BDBM50374287 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1ccccn1
BDBM50374288 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1ncc[nH]1
BDBM50374289 O=C([C@@H]1CCCN1OCc1ccccc1)N1CCC[C@H]1C(=O)c1nccs1
BDBM50374386 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2o1
BDBM50374387 O=C([C@@H]1CCCN1OCc1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
BDBM50374388 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2s1
BDBM50374389 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)C1=NCCS1 |t:26|
BDBM50374390 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1cncs1
BDBM50374391 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1cscn1
BDBM50374364 O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)C1=NOC(COCc2ccccc2)C1 |t:27|
BDBM50374385 O=C([C@@H]1CCCN1CCCc1ccccc1)N1CCC[C@H]1C(=O)c1nccs1
BDBM50382277 CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1 |r|
BDBM50382278 [N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
BDBM50382279 [N-]=[N+]=N[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50382280 [N-]=[N+]=N[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50382281 F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50382282 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
BDBM50382283 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50382255 FC(F)(F)[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50382284 CC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccccc1 |r|
BDBM50382285 CCC1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50382286 O=C(CNC(=O)c1cccc2ccccc12)N1CCCC[C@H]1C#N |r|
BDBM50382287 O=C(CCCc1ccccc1)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM50382288 COc1cccc(c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382254 O=C(CNC(=O)c1ccccc1)N1CCC[C@H]1C#N |r|
BDBM50382256 CC(C)CC(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382257 C=C1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
BDBM50382258 Fc1ccc(cc1)C(N1CCN(CC(=O)NCC(=O)N2CCC[C@H]2C#N)CC1)c1ccc(F)cc1 |r|
BDBM50382260 O=C(CCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382253 Clc1ccc(cc1)C(C(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(Cl)cc1 |r|
BDBM50382259 O=C(CNC(=O)c1ccccc1)N1CCCC[C@H]1C#N |r|
BDBM50382261 O=C(Cc1cccs1)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382262 Clc1ccc(CC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
BDBM50382263 FC(F)(F)Oc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382264 COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382265 Clc1cccc(Cl)c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382266 O=C(CNC(=O)c1ccc(cc1)-c1cccs1)N1CCC[C@H]1C#N |r|
BDBM50382267 O=C(CNC(=O)c1cccc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|
BDBM50382268 O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1C#N |r|
BDBM50382269 COc1cccc(c1)S(=O)(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50382270 Fc1ccc(CNC(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
BDBM50382271 Fc1ccc(cc1)C(NC(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1 |r|
BDBM50382272 Fc1ccc(CN2CCN(CC2)C(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1 |r|
BDBM50382273 Fc1ccc(cc1)C(N1CCN(CC1)C(=O)CCC(=O)NCC(=O)N1CCC[C@H]1C#N)c1ccc(F)cc1 |r|
BDBM50382274 Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r|
BDBM50382275 CC(C)(C)OC(=O)N1CCN(CC1)c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r|
BDBM50369128 CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
BDBM50369129 C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
BDBM50393842 O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
BDBM50393843 O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50393844 O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
BDBM50009318 O=C(CN(C1CC1)C(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50009313 OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
BDBM50009315 C[C@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|
BDBM50009320 COCCN(CC(=O)N1CCC[C@H]1C#N)C(=O)c1ccnc2ccccc12 |r|
BDBM50009322 COCCN(CC(=O)N1CCC[C@H]1C#N)Cc1ccnc2ccccc12 |r|
BDBM50009373 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2cccc(Br)c12 |r|
BDBM50009329 O=C(CCc1cn(CC(=O)N2CCC[C@H]2C#N)nn1)N1Cc2ccccc2C1 |r|
BDBM50009332 O=C(CNC(=O)c1ccnc2cc(ccc12)-c1ccccc1)N1CCC[C@H]1C#N |r|
BDBM50009327 O=C(Cn1cc(nn1)-c1ccccc1)N1CCC[C@H]1C#N |r|
BDBM50009335 Clc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009337 Nc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009340 COc1ccc(cc1OC)-c1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009343 O=C(CNC(=O)C1CCNCC1)N1CCC[C@H]1C#N |r|
BDBM50009345 Cn1cncc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009349 Cc1ncoc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009354 Fc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009358 O=C(CNC(=O)c1ccnc2cnccc12)N1CCC[C@H]1C#N |r|
BDBM50009351 FC(F)(F)C(=O)Nc1ccc(cc1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009359 Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50009363 COc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
BDBM50009365 F[C@@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|
BDBM50009368 O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1
BDBM50009372 ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|
BDBM50407832 FC(F)(F)[C@@H](CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
BDBM50407833 FC(F)(F)[C@H](CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
BDBM50399741 C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399742 O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1ccnn1 |r|
BDBM50399743 [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399744 [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399745 Cn1cnc(c1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399717 CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM50399718 [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM50399719 CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399720 O=C(CCCc1ccccc1)N1C[C@@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
BDBM50399721 [N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399722 O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1 |r|
BDBM50399723 CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1 |r|
BDBM50399724 O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCOCC2)nn1 |r|
BDBM50399725 CN(C)Cc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399726 NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399727 O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(COCc2ccccc2)nn1 |r|
BDBM50399728 O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
BDBM50399729 O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
BDBM50399730 Brc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399731 Clc1ccccc1-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399732 Fc1ccc(cc1F)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399733 Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r|
BDBM50399734 Fc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399735 O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
BDBM50399736 O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
BDBM50399737 CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399738 CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50399739 O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CCCCC1 |r|
BDBM50399740 O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1 |r|
BDBM50415696 C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N
BDBM50431243 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccncc1 |r|
BDBM50431227 CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431228 OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
BDBM50431229 OB(O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccnc2ccccc12)c1ccccc1 |r|
BDBM50431230 CCCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431231 CCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431232 CC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431233 CSCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431234 OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431235 C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431236 C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431237 C[C@@H](NC(=O)c1ccnc(F)c1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431238 C[C@@H](NC(=O)c1ccncc1Cl)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431239 C[C@@H](NC(=O)c1ccncc1F)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431240 C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431241 C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50431242 C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50434159 O=C(CNC(=O)c1cccc2ncccc12)N1CCC[C@H]1C#N |r|
BDBM50434160 O=C(CNC(=O)c1cncc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50434161 Brc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434162 Clc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434163 Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434164 Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434165 COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
BDBM50434166 Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
BDBM50434167 FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
BDBM50434168 Clc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|
BDBM50434169 Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
BDBM50434170 Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|
BDBM50434171 Oc1cnc2ccccc2c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434172 O=C(CNC(=O)c1c2CCCCc2nc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50434173 COc1ccc(cc1)-c1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1 |r|
BDBM50434174 O=C(CNC(=O)c1cc(=O)[nH]c2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50434175 Cc1nc2ccccc2c(C(=O)NCC(=O)N2CCC[C@H]2C#N)c1O |r|
BDBM50434176 Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1 |r|
BDBM50434178 OC12CC3CC(C1)CC(C3)(C2)C(=O)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:4.3.2:6,THB:9:3:6:7.8.10,0:1:4:7.9.8,10:8:4:2.1.6,10:1:4:7.9.8,11:8:4:2.1.6,11:8:4.3.2:6|
BDBM50434179 O=C(CNc1ccc(cn1)C#N)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434180 O=C(CNS(=O)(=O)c1cccc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50434181 O=C(COc1ccc2ccccc2c1)N1CCC[C@H]1C#N |r|
BDBM50434182 O=C(COc1cccc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50434183 O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434184 O=C(COc1cccc2ccccc12)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434185 O=C(COc1ccc2ccccc2c1)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50434186 O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCC[C@H]1C#N |r|
BDBM50434187 O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50434188 O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|
BDBM50434189 O=C(CNC(=O)c1cccc2cccnc12)N1CCC[C@H]1C#N |r|
BDBM50434190 O=C(CNC(=O)c1cccc2ccncc12)N1CCC[C@H]1C#N |r|
BDBM50434191 O=C(CNC(=O)c1cccc2cnccc12)N1CCC[C@H]1C#N |r|
BDBM50434177 O=C(CN1Cc2ccccc2C1=O)N1CCC[C@H]1C#N |r|
BDBM142092 CC(C)[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
BDBM142093 N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM142088 C[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|
BDBM50046188 CC(=O)Oc1c(OC(C)=O)c(c(O)c(O)c1-c1ccc(O)cc1)-c1ccc(O)cc1
BDBM50046272 C(OCc1c(COCc2ccccc2)c(c(COCc2ccccc2)c(COCc2ccccc2)c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1
BDBM50046273 COCC1=C(C(=O)C(COC)=C(C1=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 |c:10,t:3|
BDBM50046275 CC(=O)OC1=C(C(=O)C(OC(C)=O)=C(C1=O)c1ccc(O)cc1)c1ccc(O)cc1 |c:12,t:4|
BDBM50046276 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C1=C2OCOC2=C(C(=O)C1=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 |c:15,21|
BDBM50046277 CC(=O)Oc1c(OC(C)=O)c(c2OCOc2c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
BDBM50046278 CC(=O)OC1Oc2c(O1)c(-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c(OC(C)=O)c(OC(C)=O)c2-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
BDBM50046279 [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM50046263 COCc1c(COC)c(c(COC)c(COC)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
BDBM50046274 COCc1c(OC(C)=O)c(c(COC)c(OC(C)=O)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
BDBM50090472 [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@]([H])(NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@]4([H])CSSC[C@]([H])(NC(=O)CNC(=O)[C@]5([H])CCCN5C(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N4)NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@@H](NC3=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)[C@@H](C)O |r|
BDBM50090473 [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)[C@H](CS)NC(=O)CNC2=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O |r|
BDBM233320 O=C(CNC(=O)c1cccc2ccccc12)N1CCCC1C#N
BDBM233321 O=C(CNC(=O)c1cnc2ccccc2c1)N1CCC[C@H]1C#N |r|
BDBM233322 Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1[N+]#[C-] |r|
BDBM233323 O=C(CNC(=O)C1=CC=NC2=NC=CC12)N1CCC[C@H]1C#N |r,c:8,12,t:6,10|
BDBM233324 O=C(CNC(=O)c1nc[nH]n1)N1CCC[C@H]1C#N |r|
BDBM233325 O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCCC1C#N
BDBM233326 O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCCC1C#N
BDBM233327 O=C(CNC(=O)c1cncc2ccccc12)N1CCCC1C#N
BDBM233328 O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1C#N
BDBM233329 O=C(CNC(=O)c1cccc2cnccc12)N1CCCC1C#N
BDBM50180680 [H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
BDBM50180681 [H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19|
BDBM50180682 [H][C@@]12CN(OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
BDBM50180673 [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:23|
BDBM50180674 [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C#N |r,c:23|
BDBM50180679 [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19|
BDBM50180665 [H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22|
BDBM50180666 [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24|
BDBM50180664 [H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
BDBM50180667 [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23|
BDBM50180668 [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:20|
BDBM50180669 [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:19|
BDBM50180670 [H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:20|
BDBM50180671 [H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:22|
BDBM50180672 [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:24|
BDBM298345 CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)C(=O)N1CCC[C@H]1C#N |r|
BDBM298352 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298353 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
BDBM298355 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298356 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)SC |r|
BDBM298357 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298359 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)C(F)(F)F |r|
BDBM298360 COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)OC(C)(C)C |r|
BDBM298361 COc1cc(cc(OC)c1OC(C)=O)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298363 COc1cc(cc(OC)c1OC(=O)c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298364 COc1cc(cc(OCc2ccccc2)c1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCCC1C#N |r|
BDBM298366 COc1cc(cc(OC(C)=O)c1OC)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298367 COc1cc(cc(OC(=O)C(C)(C)C)c1OC)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298368 FC1(F)C[C@H](N(C1)C(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM298369 FC1(F)C[C@H](N(C1)C(=O)c1cccc(OCc2ccccc2)c1)C(=O)N1CCC[C@H]1C#N |r|
BDBM298371 FC1(F)C[C@H](N(C1)C(=O)c1ccccc1OCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM298372 FC(F)(F)c1cc(ccc1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM298373 Fc1cc(ccc1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N |r|
BDBM50242264 CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50242265 CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50242266 C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50242274 CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
BDBM50455075 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM50478998 Clc1cc(NCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50478999 Fc1cc(F)c(F)c(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
BDBM50479000 FC(F)(F)c1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479001 Fc1ccc(CCOc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479030 CC(=O)c1cc(OCc2ccc(Cl)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479031 CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479032 Clc1cc(OCC2CCCCC2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479033 Clc1cc(NCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479034 CC(=O)c1cc(OCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479035 CC(=O)c1cc(OCc2ccc(F)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479036 Clc1cc(Cl)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479002 Clc1cc(OCCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479003 Clc1cc(OCc2ccc3ccccc3c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479004 Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
BDBM50479005 Clc1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479006 CC(=O)c1cc(OCCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479007 CC(C)(C)c1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479008 FC(F)(F)c1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479009 Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
BDBM50479010 Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479011 CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)n1cccc1 |r|
BDBM50479012 FC(F)(F)c1ccc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)cc1 |r|
BDBM50479013 Fc1cc(F)cc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)c1 |r|
BDBM50479014 CC(=O)c1cc(OCc2ccc(F)c(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479015 CC(=O)c1cc(OCc2cc(F)cc(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479016 COc1ccc(COc2cc(C(C)=O)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479017 CC(=O)c1cc(OCc2ccc(cc2)C(F)(F)F)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479018 CC(=O)c1cc(OCC(F)(F)F)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479019 Clc1cc(Oc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479020 Fc1cc(F)cc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
BDBM50479021 CC(=O)c1cc(OCc2ccc(cc2)C#N)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479022 Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479023 Clc1cccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
BDBM50479024 Clc1cc(OCc2ccncc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479025 Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
BDBM50479026 Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c(F)c1 |r|
BDBM50479027 Fc1ccc(F)c(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
BDBM50479028 CC(C)(C)c1ccc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)cc1 |r|
BDBM50479029 CC(=O)c1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
BDBM50479037 Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1Cl |r|
BDBM50478997 Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
BDBM50504791 CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2B(O)O)c(F)c1 |r|
BDBM50504792 Nc1cccc(F)c1C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50504794 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1 |r|
BDBM50504796 CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2C#N)c(F)c1 |r|
BDBM50504798 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(N)cccc1F |r|
BDBM50504799 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1 |r|
BDBM50504800 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1OC |r|
BDBM50504802 CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM50504803 CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50508730 COc1ccc2cc3-c4cc5OCOc5cc4CCn3c(=O)c2c1OC
BDBM50508977 O=C[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50508978 F[C@H]1C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50508979 [H][C@]12C[C@]([H])(C1(C)C)[C@@]1(C)OB(O[C@@]1([H])C2)[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50508984 F[C@@H]1C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50508982 FC1(F)C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50508983 CC(C)[C@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50508726 [H][C@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(O)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4O)cc3 |r|
BDBM50508727 [H][C@@]12Cc3ccc(O)c(Oc4ccc(C[C@]5([H])N(C)CCc6cc(OC)c(O)c(Oc7cc1c(CCN2C)cc7OC)c56)cc4)c3 |r|
BDBM50508728 [H][C@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)cc(CN(CC)CC)c4O)cc3 |r|
BDBM50508731 COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1Oc1c2CN(C)CCc2cc(OC)c1OC
BDBM50504793 CC(=O)Nc1ccc(cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N |r|
BDBM50504795 CC(=O)Nc1ccc(C(=O)N2CCCC2)c(F)c1
BDBM50504801 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1SC |r|
BDBM50504804 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1OC |r|
BDBM50504805 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(F)cccc1F |r|
BDBM50504806 CC(=O)Nc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C#N)c(F)c1 |r|
BDBM50504807 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1F |r|
BDBM50504808 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1N |r|
BDBM50504809 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(F)cccc1OC |r|
BDBM50508980 F[C@@H]1CCN(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50508981 F[C@H]1CCN(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
BDBM50504797 [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1F |r|
BDBM50529474 C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50529475 C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50529480 O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50529481 OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
BDBM50529482 C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM50529483 C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50529484 O=C(CCCc1ccccc1)NCCC(=O)N1CCCC1
BDBM50529485 C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50529486 C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM50529487 O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
BDBM50529488 C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50529489 C[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50529490 CN(CC(=O)N1CCC[C@H]1C(N)=O)C(=O)CCCc1ccccc1 |r|
BDBM50529491 CC(C)(NC(=O)CCCc1ccccc1)C(=O)N1CCCC1
BDBM50529492 C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50529493 CN(CC(=O)N1CCC[C@H]1c1nnn[nH]1)C(=O)CCCc1ccccc1 |r|
BDBM50529494 CN(CC(=O)N1CCCC1)C(=O)CCCc1ccccc1
BDBM50529495 NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCCc1ccccc1 |r|
BDBM50529476 NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
BDBM50529477 C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
BDBM50529478 CN(CC(=O)N1CCC[C@H]1C#N)C(=O)CCCc1ccccc1 |r|
BDBM50529479 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50504790 CC(=O)Nc1ccc(cc1)C(=O)N1CCCC1
BDBM514514 N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(C3)C1)C2 |r,TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:1:12:15:18.19.17,20:18:15:21.12.13,20:12:15:18.19.17|
BDBM514515 N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(Cl)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
BDBM514516 CC1(CCCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM514518 CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM514520 CC1(CCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM514521 CC(C)(F)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM514523 CN(CB(O)O)C(=O)[C@@H](N)CCC(O)=O |r|
BDBM514526 CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
BDBM514530 N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1(CC1)C(F)(F)F |r|
BDBM514532 N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
BDBM514533 CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|
BDBM514536 N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|
BDBM514537 N[C@@H](C1CCCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM514538 N[C@@H](CC(N)=O)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM514539 CN(C)C(=O)C[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM514540 CC1(CCCCC1)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM514543 Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCCN1 |r|
BDBM514544 NCCCC[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM514545 N[C@@H](C1CCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM514546 NC1(CCNCC1)C(=O)N1Cc2ccc(F)cc2C1
BDBM514547 NC1(CCNCC1)C(=O)N1Cc2ccccc2C1
BDBM514548 NC1(CCNCC1)C(=O)N1CCSC1
BDBM514550 CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|
BDBM514551 CC(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|
BDBM514552 CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
BDBM514553 CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)CO |r|
BDBM514554 CC1(C)CCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|
BDBM514555 CC1(CC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM50557396 CC#CCn1c(nc2n(C)c(=O)n(CC3=NC4C=CC=CC4C(C)=N3)c(=O)c12)N1CCC[C@@H](N)C1 |r,c:17,19,24,t:14|
BDBM50557397 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(n1)-c1ccc(Cl)cc1 |r|
BDBM50557398 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1coc(n1)-c1ccc(Cl)cc1 |r|
BDBM50557399 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1c[nH]c(c1)-c1ccc(Cl)cc1 |r|
BDBM554497 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)OC(C)(C)C)cc1
BDBM50557400 Cn1cc(cc1-c1ccc(Cl)cc1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM50557401 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cnc(cn1)-c1ccc(Cl)cc1 |r|
BDBM50557402 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc(n1)-c1ccc(Cl)cc1 |r|
BDBM50557403 FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM50557404 FC(F)(F)c1cc(Cl)ccc1-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM50557405 Fc1ccc(cc1)-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM50557406 COc1ccc(cc1)-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM50557407 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(n1)-c1ccc(cc1)-c1ccccc1 |r|
BDBM50557408 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(n1)-c1ccc2occc2c1 |r|
BDBM50557409 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1 |r|
BDBM50557410 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2Br)n1 |r|
BDBM50557411 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2cccc(Br)c2)n1 |r|
BDBM50557412 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Br)cc2)n1 |r|
BDBM50557413 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2I)n1 |r|
BDBM50557414 COc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50555821 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(C)C
BDBM50555822 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cc(C)cc(C)c1
BDBM50557415 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2-c2ccc3ccccc3c2)n1 |r|
BDBM50557416 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1 |r|
BDBM50557417 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r|
BDBM50557418 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2cc(Cl)ccc2Cl)n1 |r|
BDBM50557419 Fc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1F |r|
BDBM50557420 Fc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)c(Cl)c1 |r|
BDBM50557421 Cc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50557422 FC(F)(F)Oc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50557423 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)C#N)n1 |r|
BDBM50557424 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|
BDBM50557425 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-c2ccc(Cl)cc2)n1 |r|
BDBM50557426 CSc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50557427 C[S+]([O-])c1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50557428 CS(=O)(=O)c1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50557429 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-n2cccn2)n1 |r|
BDBM50557430 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-n2cncn2)n1 |r|
BDBM50557431 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CCCc2ccc(Cl)c(Cl)c2)n1 |r|
BDBM50557432 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CCCc2ccc(cc2)C#N)n1 |r|
BDBM50557433 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(Cl)c(Cl)c2)n1 |r|
BDBM50557434 Cc1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50557435 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(cc2)C#N)n1 |r|
BDBM50557436 FC(F)(F)c1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|
BDBM50557437 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 |r|
BDBM50557438 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(cc2)C#N)n1 |r|
BDBM50557439 FC(F)(F)c1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM50557440 Cc1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM50557441 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(COc2ccc(Cl)c(Cl)c2)n1 |r|
BDBM50557442 FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(COc2ccc(cc2)C#N)n1 |r|
BDBM50555819 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccccc1C
BDBM50555820 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(C)cc1
BDBM50554438 CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC1=O)C(C)C)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N2)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C |r|
BDBM50555817 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccccc1
BDBM50555818 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(C)c1
BDBM50555823 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(Br)cc1
BDBM50555824 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(Br)c1
BDBM50555825 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccccc1Br
BDBM50555826 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)[N+]([O-])=O
BDBM50555827 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(SC)cc1
BDBM50555828 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(c1)[N+]([O-])=O
BDBM50555829 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1cccc(Cl)c1
BDBM50555830 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(Cl)cc1
BDBM50555831 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(Cl)c(Cl)c1
BDBM50555832 [Br-].COC(=O)c1ccc(COc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)cc1
BDBM50555833 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C#N
BDBM50555834 [Br-].COc1cccc(COc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)c1
BDBM50555835 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
BDBM50555836 [Br-].COc1ccc(COc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)cc1
BDBM50555837 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc2ccccc2c1
BDBM50555838 [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(C)c1ccccc1
BDBM554498 Cc1ccc(Cn2nc3CNCC(C(=O)N4CCCC4)n3c2=O)cc1
BDBM50572222 O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50572223 C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50572224 CN(CC(=O)N1CCC[C@H]1c1nnn[nH]1)C(=O)CCc1ccccc1 |r|
BDBM50572225 O=C(CCCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50572226 C[C@H](NC(=O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50572227 O=C(CCCc1cccs1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50572228 C[C@H](NC(=O)CCCc1cccs1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
BDBM50572229 Cn1nnnc1[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
BDBM50572230 Cn1nnc(n1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 |r|
BDBM50572231 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1nnc[nH]1 |r|
BDBM50572236 C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
BDBM50572237 O=C(CCCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
BDBM50572238 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1cnc[nH]1 |r|
BDBM50572239 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ccn[nH]1 |r|
BDBM554514 CN1CC(C(=O)N2CCCC2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O
BDBM554510 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)C2CC2)cc1
BDBM554533 CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1cncc(Cl)c1)c2=O |r|
BDBM554502 F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12 |r|
BDBM554507 CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O |r|
BDBM554517 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NC2CC2)cc1
BDBM554499 CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1nccc(c1Cl)C(F)(F)F)c2=O |r|
BDBM554500 F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3nccc(c3Cl)C(F)(F)F)c(=O)n12 |r|
BDBM554501 CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(F)c(c1)C(F)(F)F)c2=O |r|
BDBM554505 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CC[C@H](F)C4)n3c2=O)C(=O)OC(C)(C)C)cc1 |r|
BDBM554506 Cc1ccc(Cn2nc3CNCC(C(=O)N4CC[C@H](F)C4)n3c2=O)cc1 |r|
BDBM554521 F[C@H]1CCN(C1)C(=O)C1CN(CC(F)(F)F)Cc2nn(Cc3nccc(c3Cl)C(F)(F)F)c(=O)n12 |r|
BDBM554520 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)Nc2ccc(cc2)C(F)(F)F)cc1
BDBM554513 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NCC(F)(F)F)cc1
BDBM50572232 C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnc[nH]1 |r|
BDBM50572233 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1cnn[nH]1 |r|
BDBM50572234 O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
BDBM50572235 O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1c1ncc[nH]1 |r|
BDBM554522 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
BDBM554523 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NCC(F)F)cc1
BDBM554524 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NC(C)(C)C)cc1
BDBM554525 CC(C)CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1nccc(c1Cl)C(F)(F)F)c2=O |r|
BDBM554526 CC(C)CN1CC(C(=O)N2CCCC2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O
BDBM554527 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C2CCC2)cc1
BDBM554528 Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)c2ccc(cc2)C(F)(F)F)cc1
BDBM554529 F[C@H]1CCN(C1)C(=O)C1CN(Cc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12)C(=O)CCC(F)(F)F |r|
BDBM554530 F[C@H]1CCN(C1)C(=O)C1CN(Cc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12)C(=O)C1CC1 |r|
BDBM554531 CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(nc1)C(F)(F)F)c2=O |r|
BDBM554532 F[C@H]1CCN(C1)C(=O)C1CN(CC2CC2(F)F)Cc2nn(Cc3cncc(Cl)c3)c(=O)n12 |r|
BDBM554536 F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3ccnc(c3F)C(F)(F)F)c(=O)n12
BDBM589752 CC[C@@H](C)C(N)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM589766 CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM589767 CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|
BDBM589775 CC(C)[C@H](N(C)C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609736 CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Lu](OC(=O)C2)OC(=O)C3)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609738 CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@H](C)C(=O)N1CC(F)(F)C[C@H]1C#N |r|
BDBM609739 CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609740 CC(C)[C@H](NC(=O)CNC(=O)CCC(N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609741 CC(C)[C@H](NC(=O)CNC(=O)CC[C@@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609742 CC(C)[C@H](NC(=O)CNC(=O)CC[C@H]1N2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C4)(OC(=O)C3)OC1=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609773 C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609774 C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609775 C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609776 C[C@@H](NC(=O)c1ccc(NC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609777 C[C@@H](NC(=O)c1ccc(NC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609784 C[C@@H](NC(=O)c1ccc(CNC(=O)CCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609785 C[C@@H](NC(=O)c1ccc(NNC(=O)CCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609729 C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Gd](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609730 C[C@@H](NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609743 CC(C)[C@H](NC(=O)CNC(=O)CC[C@H]1N2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C4)(OC(=O)C3)OC1=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609745 CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CC[C@@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609778 C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609779 C[C@@H](NC(=O)c1ccc(NNC(=O)CCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609781 C[C@@H](NC(=O)c1ccc(NC(=O)CCCCNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609787 C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609788 C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:46.49,8.8,wD:1.0,5.4,(-9.28,10.4,;-9.28,8.86,;-10.62,8.09,;-11.95,8.86,;-11.95,10.4,;-13.28,8.09,;-14.62,8.86,;-15.95,8.09,;-15.95,6.55,;-17.28,5.78,;-18.62,6.55,;-19.95,5.78,;-19.95,4.24,;-21.28,6.55,;-22.62,5.78,;-23.34,7.1,;-24.92,7.09,;-25.72,5.78,;-26.93,6.99,;-25.85,8.17,;-24.36,7.77,;-25.85,9.71,;-27.01,5.05,;-26.99,3.47,;-25.71,2.68,;-26.8,1.59,;-28.29,1.99,;-29.06,3.32,;-29.38,.9,;-25.01,1.35,;-23.43,1.37,;-22.61,2.68,;-21.84,1.35,;-22.93,.26,;-24.42,.66,;-22.93,-1.28,;-21.3,3.44,;-21.32,5.02,;-14.62,5.78,;-13.28,6.55,;-7.95,8.09,;-7.95,6.55,;-6.62,8.86,;-6.62,10.4,;-5.15,10.88,;-4.25,9.63,;-5.15,8.39,;-4.68,6.92,;-5.71,5.78,;-3.17,6.6,)|
BDBM609789 C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:8.8,47.52,wD:5.4,1.0,(7.29,6.09,;7.29,4.55,;5.95,3.78,;4.62,4.55,;4.62,6.09,;3.29,3.78,;1.95,4.55,;.62,3.78,;.62,2.24,;-.72,1.47,;-2.05,2.24,;-3.38,1.47,;-3.38,-.07,;-4.72,2.24,;-6.05,1.47,;-6.77,2.79,;-8.35,2.78,;-9.15,1.47,;-10.44,.74,;-10.43,-.84,;-9.14,-1.63,;-8.44,-2.95,;-6.86,-2.94,;-6.04,-1.63,;-4.74,-.87,;-4.75,.71,;-5.02,-3.89,;-6.17,-4.86,;-6.17,-6.4,;-7.85,-4.59,;-7.89,-.09,;-7.92,4.44,;-9.47,4.45,;-9.47,5.99,;-10.65,3.24,;-11.81,-.09,;-11.81,-1.63,;-13.15,-2.4,;-10.48,-2.4,;1.95,1.47,;3.29,2.24,;8.62,3.78,;8.62,2.24,;9.95,4.55,;10.12,6.08,;11.62,6.4,;12.39,5.07,;11.36,3.93,;11.68,2.42,;10.54,1.39,;13.15,1.94,)|
BDBM609765 C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609792 C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCC2=C(\C=C\C3=C(Oc4ccc(cc4)S(O)(=O)=O)\C(\CCC3)=C\C=C3\N(CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S(O)(=O)=O)nc1)C(=O)N1CCC[C@H]1B(O)O |r,c:18,22|
BDBM609790 C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:8.8,47.52,wD:5.4,1.0,(7.29,6.09,;7.29,4.55,;5.95,3.78,;4.62,4.55,;4.62,6.09,;3.29,3.78,;1.95,4.55,;.62,3.78,;.62,2.24,;-.72,1.47,;-2.05,2.24,;-3.38,1.47,;-3.38,-.07,;-4.72,2.24,;-6.05,1.47,;-6.77,2.79,;-8.35,2.78,;-9.15,1.47,;-10.44,.74,;-10.43,-.84,;-9.14,-1.63,;-8.44,-2.95,;-6.86,-2.94,;-6.04,-1.63,;-4.74,-.87,;-4.75,.71,;-5.02,-3.89,;-6.17,-4.86,;-6.17,-6.4,;-7.85,-4.59,;-7.89,-.09,;-7.92,4.44,;-9.47,4.45,;-9.47,5.99,;-10.65,3.24,;-11.81,-.09,;-11.81,-1.63,;-13.15,-2.4,;-10.48,-2.4,;1.95,1.47,;3.29,2.24,;8.62,3.78,;8.62,2.24,;9.95,4.55,;10.12,6.08,;11.62,6.4,;12.39,5.07,;11.36,3.93,;11.68,2.42,;10.54,1.39,;13.15,1.94,)|
BDBM609791 C[C@@H](NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609793 C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCC2=C(\C=C\C3=C(Oc4ccc(cc4)S(O)(=O)=O)\C(\CCC3)=C\C=C3\N(CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S(O)(=O)=O)cc1)C(=O)N1CCC[C@H]1B(O)O |r,c:18,22|
BDBM609722 C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609731 C[C@@H](NC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Gd](OC(=O)C2)OC(=O)C3)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609734 CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Ga](OC(=O)C2)OC(=O)C3)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609770 C[C@@H](NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609771 C[C@@H](NC(=O)c1ccc(NNC(=O)CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609772 C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609719 CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|
BDBM609728 C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Gd](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|
CHEMBL1079473 [H][C@]12C[C@H](NC(=O)OCc3ccccc3)C(=O)N1[C@@H](CS2)C#N |r|
CHEMBL5282548 O=C[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 |r|