917 SMILES Strings for Ceramide glucosyltransferase

Compound Name
SMILES String
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc2OCCOc2c1 |r|
COc1ccc(cc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r|
COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r|
COc1cccc(c1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r|
COc1ccccc1[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r|
COc1cc(ccc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r|
COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCc2ccccc2C1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(cc1)C(F)(F)F |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)F)cc1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(F)cc1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC2CC2)cc1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 |r|
COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCCc2ccccc12 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1cccc(OC(F)(F)F)c1 |r|
O[C@@H]([C@@H](CN1CC[C@@H](F)C1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]([C@@H](CN1CCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1cc(F)c2OCCOc2c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:13|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:12|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:12|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)c(F)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)c(F)c1 |r,t:12|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:12|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(F)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:13|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(F)c1 |r,t:12|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1 |r,t:27|
CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1 |r,t:27|
CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1 |r,t:27|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc3ccccc3cc12)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
CN([C@H](CN1CCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1 |r,t:26|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
CC1(C)ON=C(C(=O)N[C@H](CN2CCCC2)[C@H](O)c2ccc(OC3CC3)c(Cl)c2)c2ccc(cc12)-c1ccc(F)cc1 |r,t:4|
CC1ON=C(C(=O)N[C@H](CN2CCCC2)[C@H](O)c2ccc(OC3CC3)c(Cl)c2)c2ccc(cc12)-c1ccc(F)cc1 |r,t:3|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)cc1 |r,t:13|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cccnc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)cc1 |r,t:13|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)cc1 |r,t:12|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1sc(Cl)cc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Cn1ncc2c3CON=C(C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc(OC5CC5)c(Cl)c4)c3ccc12 |r,t:8|
Cn1ncc2ccc3C(=NOCc3c12)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1 |r,c:8|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ncccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(Cl)sc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:13|
CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1 |r,t:27|
O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:12|
CC1(C)Cc2cc(ccc2C(=N1)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)-c1ccc(F)cc1 |r,c:11|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1OCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(Cl)c1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1OCCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1sc(Cl)cc21)c1ccc(OC2CC2)cc1 |r,t:13|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(OCC3CCCCC3)ccc12)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Cn1ncc2ccc3C(=NOCc3c12)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1 |r,c:8|
O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(Cl)sc21)c1ccc(OC2CC2)c(F)c1 |r,t:13|
Cc1nnc(o1)-c1ccc(cc1)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
Cc1nnc(o1)-c1ccc(cc1)-c1c2C(=O)N(Cc2ccc1F)C(C1CC1)C(C)(C)O
Cc1nnc(o1)-c1ccc(cc1)-c1cc(F)cc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
CC(C)(O)C(C1CC1)N1Cc2cc(F)cc(\C=C\c3ccc(F)cc3F)c2C1=O
CC(C)(O)[C@@H](C1CC1)N1Cc2cccc(c2C1=O)-c1ccc(cc1)-c1nnco1 |r|
Cn1c2ccc(cc2n(C)c1=O)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
CC(C)(O)[C@@H](C1CC1)N1Cc2cccc(c2C1=O)-c1ccccc1OCC(F)(F)F |r|
COc1cc(cc(c1)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12)C#N |r|
Cc1nnc(o1)-c1ccc(cc1F)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
COc1cc(Cl)cc(c1)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
Cc1n[nH]c2cc(F)c(cc12)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
Cn1ncc2cc(ccc12)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
CC1=NNC(O1)c1cccc(c1)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r,t:1|
CC(C)(O)[C@@H](C1CC1)N1Cc2cccc(c2C1=O)-c1cccc(OCC(F)(F)F)c1 |r|
Cn1cc(cn1)-c1ccc(cc1)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
CC(C)(O)[C@@H](C1CC1)N1Cc2cccc(c2C1=O)-c1cccc2OC(F)(F)Oc12 |r|
CC(C)(O)[C@@H](C1CC1)N1Cc2cccc(c2C1=O)-c1ccc(cc1)-n1nccn1 |r|
Cc1ccc(nn1)-c1ccc(cc1)-c1cccc2CN(C(C3CC3)C(C)(C)O)C(=O)c12
COc1ccc(cc1OC)-c1cccc2CN(C(C3CC3)C(C)(C)O)C(=O)c12
Cc1cc(cc(C)n1)-c1cccc2CN(C(C3CC3)C(C)(C)O)C(=O)c12
CC(C)(O)C(C1CC1)N1Cc2ccc(F)c(c2C1=O)-c1ccccc1OCC(F)(F)F |(2.99,-.96,;3.76,-2.29,;5.3,-2.29,;4.53,-3.63,;2.99,-3.63,;3.76,-4.96,;3.76,-6.5,;5.1,-5.73,;1.45,-3.63,;.55,-4.87,;-.92,-4.4,;-2.25,-5.17,;-3.58,-4.4,;-3.58,-2.85,;-4.92,-2.08,;-2.25,-2.08,;-.92,-2.85,;.55,-2.38,;1.02,-.91,;-2.25,-.54,;-.92,.23,;-.92,1.77,;-2.25,2.54,;-3.58,1.77,;-3.58,.23,;-4.92,-.54,;-6.25,.23,;-7.58,-.54,;-8.92,.23,;-7.58,-2.08,;-6.25,-1.31,)|
Cc1nnc(o1)-c1ccc(cc1F)-c1c2C(=O)N(Cc2ccc1F)C(C1CC1)C(C)(C)O
CC(C)(O)C(C1CC1)N1Cc2cc(F)cc(c2C1=O)-c1ccccc1OCC(F)(F)F
Cn1cc(cn1)-c1ccc(cc1)-c1cc(F)cc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
CN1Cc2cc(ccc2C1=O)-c1cc(F)cc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
Cc1cc(-c2ccccc2OCC(F)(F)F)c2oc(cc2c1)C(=O)CC1CC[C@H](CO)CC1 |r,wU:28.31,(.21,5.54,;.21,4,;1.54,3.23,;1.54,1.69,;2.88,.92,;2.88,-.62,;4.21,-1.39,;5.54,-.62,;5.54,.92,;4.21,1.69,;4.21,3.23,;5.46,4.13,;5.29,5.66,;3.89,6.29,;6.54,6.57,;6.7,5.04,;.21,.92,;-.11,-.59,;-1.64,-.75,;-2.27,.66,;-1.13,1.69,;-1.13,3.23,;-2.41,-2.08,;-1.64,-3.42,;-3.95,-2.08,;-4.72,-3.42,;-6.26,-3.42,;-7.03,-4.75,;-6.26,-6.08,;-7.03,-7.42,;-8.57,-7.42,;-4.72,-6.08,;-3.95,-4.75,)|
Cc1nn(C)c(C)c1-c1cccc2cc(oc12)C(=O)Nc1ccc2cnccc2n1 |(-7.84,-.96,;-6.35,-1.36,;-5.87,-2.83,;-4.33,-2.83,;-3.56,-4.16,;-3.86,-1.36,;-2.37,-.96,;-5.1,-.46,;-5.1,1.08,;-6.44,1.85,;-6.44,3.39,;-5.1,4.16,;-3.77,3.39,;-2.31,3.87,;-1.4,2.62,;-2.31,1.38,;-3.77,1.85,;.14,2.62,;.91,3.96,;.91,1.29,;2.45,1.29,;3.22,2.62,;4.76,2.62,;5.53,1.29,;7.07,1.29,;7.84,-.05,;7.07,-1.38,;5.53,-1.38,;4.76,-.05,;3.22,-.05,)|
COc1ccc(cc1-c1cccc2cc(oc12)C(=O)NC12CCC(O)(CC1)C2)C#N
OC12CCC(CC1)(C2)NC(=O)c1cc2cccc(-c3cc(ccc3OC(F)F)C#N)c2o1
COc1ccc(cc1-c1cc(Cl)cc2cc(oc12)C(=O)N[C@@H]1CC[C@H](O)C1)C#N |r|
OC12CCC(CC1)(C2)NC(=O)c1cc2cccc(-c3cc(Cl)cnc3OC(F)F)c2o1
FC(F)(F)COc1ccccc1-c1cccc2cc(oc12)C(=O)Nc1cccnc1
COc1ncc(Cl)cc1-c1cccc2cc(oc12)C(=O)NC12CCC(O)(CC1)C2
CC(CO)C12CC(C1)(C2)NC(=O)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
CCCOc1ccccc1-c1cccc2cc(oc12)C(=O)Nc1cccnc1
OC1CCC(NC(=O)c2cc3cccc(-c4ccccc4OCC(F)(F)F)c3o2)C(F)C1
Cc1nn(C)c(C)c1-c1cccc2cc(oc12)C(=O)Nc1cccc(C)n1 |(-6.68,-.96,;-5.2,-1.36,;-4.72,-2.83,;-3.18,-2.83,;-2.41,-4.16,;-2.7,-1.36,;-1.22,-.96,;-3.95,-.46,;-3.95,1.08,;-5.28,1.85,;-5.28,3.39,;-3.95,4.16,;-2.62,3.39,;-1.15,3.87,;-.25,2.62,;-1.15,1.38,;-2.62,1.85,;1.29,2.62,;2.06,3.96,;2.06,1.29,;3.6,1.29,;4.37,2.62,;5.91,2.62,;6.68,1.29,;5.91,-.05,;6.68,-1.38,;4.37,-.05,)|
CCCCOc1ccccc1-c1cccc2cc(oc12)C(=O)NC(C)(C)CO
FC(F)(F)COc1ccccc1-c1cccc2cc(oc12)C(=O)NC1CNCCC1(F)F
F[C@@H]1CCNC[C@H]1NC(=O)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1 |r|
F[C@H]1CCNC[C@@H]1NC(=O)c1cc2cccc(-c3ccccc3OC(F)(F)F)c2o1 |r|
OCC12CCC(CC1)(CC2)NC(=O)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
CCCOc1ccccc1-c1cccc2cc(oc12)C(=O)NC1CCNCC1(F)F
COc1ccc(cc1-c1cccc2cc(oc12)C(=O)N[C@@H]1CC[C@H](O)C1)C#N
FCCOc1ccccc1-c1cc(Cl)cc2cc(oc12)C(=O)NC1CN2CCC1CC2 |(8.66,-2.1,;7.32,-1.33,;5.99,-2.1,;4.66,-1.33,;3.32,-2.1,;3.32,-3.64,;1.99,-4.41,;.66,-3.65,;.65,-2.11,;1.99,-1.33,;1.99,.21,;3.31,.98,;3.31,2.52,;4.65,3.29,;1.99,3.28,;.65,2.51,;-.82,2.99,;-1.73,1.74,;-.82,.49,;.65,.97,;-3.27,1.74,;-4.04,.41,;-4.04,3.08,;-5.58,3.08,;-6.35,1.74,;-7.89,1.74,;-8.66,3.08,;-7.89,4.41,;-6.35,4.41,;-6.57,3.25,;-7.68,3.12,)|
CCCCOc1ccccc1-c1cccc2cc(oc12)C(=O)NC1CN2CCC1CC2 |THB:22:23:26.27:30.29,(9.53,-1.89,;8.2,-2.66,;6.86,-1.89,;5.53,-2.66,;4.2,-1.89,;2.86,-2.66,;2.86,-4.2,;1.53,-4.97,;.2,-4.21,;.19,-2.67,;1.53,-1.89,;1.53,-.35,;2.85,.42,;2.85,1.96,;1.52,2.72,;.19,1.95,;-1.28,2.43,;-2.19,1.18,;-1.28,-.07,;.19,.41,;-3.73,1.18,;-4.5,-.15,;-4.53,2.55,;-6.07,2.55,;-6.95,1.64,;-8.12,2.54,;-9.53,2.31,;-8.74,3.49,;-7.12,3.57,;-6.49,4.97,;-7.68,4.18,)|
FC(F)(F)COc1ccccc1-c1cccc2cc(oc12)C(=O)Nc1ccc2cnccc2n1
CCCOc1ccccc1-c1cccc2cc(oc12)C(=O)NC1CN2CCC1CC2 |(8.65,-2.18,;7.32,-1.41,;5.99,-2.18,;4.65,-1.41,;3.32,-2.18,;3.32,-3.71,;1.98,-4.48,;.66,-3.72,;.65,-2.18,;1.99,-1.4,;1.99,.14,;3.31,.9,;3.31,2.44,;1.98,3.21,;.65,2.44,;-.82,2.92,;-1.73,1.67,;-.82,.42,;.65,.9,;-3.27,1.67,;-4.04,.34,;-4.04,3,;-5.58,3,;-6.26,4.38,;-7.8,4.48,;-8.65,3.2,;-7.97,1.82,;-6.43,1.72,;-7.27,2.55,;-6.77,3.55,)|
CC(C)Oc1ccc(cc1-c1cc(Cl)cc2cc(oc12)C(=O)N[C@@H]1C[C@H](O)C1)C#N |r,wU:23.25,25.28,(8.32,-.82,;6.98,-1.59,;6.98,-3.13,;5.65,-.82,;4.32,-1.59,;4.32,-3.13,;2.98,-3.9,;1.65,-3.13,;1.64,-1.6,;2.98,-.82,;2.98,.72,;4.31,1.49,;4.31,3.03,;5.64,3.8,;2.98,3.79,;1.65,3.03,;.18,3.5,;-.73,2.25,;.18,1,;1.65,1.48,;-2.27,2.25,;-3.04,.92,;-3.04,3.59,;-4.58,3.59,;-5.67,4.67,;-6.78,3.57,;-8.32,3.57,;-5.69,2.48,;.32,-3.9,;-1.01,-4.67,)|
O[C@H]1CC[C@H](C1)NC(=O)c1cc2cccc(-c3cc(ccc3Cl)C#N)c2o1 |r|
CC(C)Oc1ccc(cc1-c1cc(F)cc2cc(oc12)C(=O)N[C@@H]1C[C@H](O)C1)C#N |r,wU:23.25,25.28,(8.3,-.83,;6.97,-1.6,;6.97,-3.14,;5.64,-.83,;4.3,-1.6,;4.3,-3.14,;2.97,-3.91,;1.63,-3.14,;1.63,-1.6,;2.97,-.83,;2.97,.71,;4.3,1.48,;4.3,3.02,;5.64,3.79,;2.97,3.79,;1.63,3.02,;.17,3.5,;-.74,2.25,;.17,1.01,;1.63,1.48,;-2.28,2.25,;-3.05,.92,;-3.05,3.59,;-4.59,3.59,;-5.67,4.68,;-6.76,3.59,;-8.3,3.59,;-5.67,2.5,;.3,-3.91,;-1.03,-4.68,)|
C[C@@]1(CC[C@H](O)CC1)NC(=O)c1cc2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2o1 |r,wU:1.0,4.4,wD:1.8,(-4.03,4.41,;-4.8,3.08,;-5.57,4.41,;-7.11,4.41,;-7.88,3.08,;-9.42,3.08,;-7.11,1.75,;-5.57,1.75,;-3.26,3.08,;-2.49,1.75,;-3.26,.41,;-.95,1.75,;-.05,2.99,;1.42,2.52,;2.75,3.29,;4.09,2.52,;5.42,3.29,;4.09,.98,;2.75,.21,;2.75,-1.33,;1.42,-2.1,;1.42,-3.64,;2.75,-4.41,;4.09,-3.64,;4.09,-2.1,;5.42,-1.33,;6.75,-2.1,;8.09,-1.33,;9.42,-2.1,;9.42,-.56,;8.09,.21,;1.42,.98,;-.05,.5,)|
COc1ccc(Cl)cc1-c1cc(F)cc2cc(oc12)C(=O)N[C@@H]1C[C@H](CO)C1 |r,wU:22.24,24.27,(8.02,-2.1,;6.69,-1.33,;5.35,-2.1,;5.35,-3.64,;4.02,-4.41,;2.69,-3.64,;1.35,-4.41,;2.69,-2.1,;4.02,-1.33,;4.02,.21,;5.35,.98,;5.35,2.52,;6.69,3.29,;4.02,3.29,;2.69,2.52,;1.22,2.99,;.32,1.75,;1.22,.5,;2.69,.98,;-1.22,1.75,;-1.99,.41,;-1.99,3.08,;-3.53,3.08,;-4.62,4.17,;-5.71,3.08,;-7.25,3.08,;-8.02,4.41,;-4.62,1.99,)|
CC(C)Oc1ccc(cc1-c1cc(F)cc2cc(oc12)C(=O)NC(C)(C)CO)C#N
COc1ccc(F)c(F)c1-c1cccc2cc(oc12)C(=O)N[C@@H]1CC[C@H](O)C1 |r,wU:22.24,25.28,(-7.63,-1.54,;-6.3,-.77,;-4.96,-1.54,;-4.96,-3.08,;-3.63,-3.85,;-2.29,-3.08,;-.96,-3.85,;-2.29,-1.54,;-.96,-.77,;-3.63,-.77,;-3.63,.77,;-4.96,1.54,;-4.96,3.08,;-3.63,3.85,;-2.29,3.08,;-.83,3.56,;.08,2.31,;-.83,1.06,;-2.29,1.54,;1.62,2.31,;2.39,3.64,;2.39,.98,;3.93,.98,;4.83,-.27,;6.3,.21,;6.3,1.75,;7.63,2.52,;4.83,2.22,)|
COc1cc(-c2ccccc2OCC(F)(F)F)c2oc(cc2c1)C(=O)NC1CCC(CO)CC1 |(7.14,2.52,;5.8,3.29,;4.47,2.52,;4.47,.98,;3.14,.21,;3.14,-1.33,;1.8,-2.1,;1.8,-3.64,;3.14,-4.41,;4.47,-3.64,;4.47,-2.1,;5.8,-1.33,;7.14,-2.1,;8.47,-1.33,;9.81,-2.1,;9.81,-.56,;8.47,.21,;1.8,.98,;.34,.5,;-.57,1.75,;.34,2.99,;1.8,2.52,;3.14,3.29,;-2.11,1.75,;-2.88,.41,;-2.88,3.08,;-4.42,3.08,;-5.19,1.75,;-6.73,1.75,;-7.5,3.08,;-9.04,3.08,;-9.81,4.41,;-6.73,4.41,;-5.19,4.41,)|
O[C@H]1CC[C@H](C1)NC(=O)c1cc2cccc(-c3cc(ccc3F)C#N)c2o1 |r|
CCOc1ccc(F)cc1-c1cccc2cc(oc12)C(=O)N[C@@H]1CC[C@H](O)C1 |r|
O[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1 |r,wU:4.7,wD:1.0,(-9.42,3.08,;-7.88,3.08,;-7.11,1.75,;-5.57,1.75,;-4.8,3.08,;-5.57,4.41,;-7.11,4.41,;-3.26,3.08,;-2.49,1.75,;-3.26,.41,;-.95,1.75,;-.05,2.99,;1.42,2.52,;2.75,3.29,;4.09,2.52,;4.09,.98,;2.75,.21,;2.75,-1.33,;1.42,-2.1,;1.42,-3.64,;2.75,-4.41,;4.09,-3.64,;4.09,-2.1,;5.42,-1.33,;6.75,-2.1,;8.09,-1.33,;9.42,-2.1,;9.42,-.56,;8.09,.21,;1.42,.98,;-.05,.5,)|
COCCOc1ccccc1-c1cccc2cc(oc12)C(=O)Nc1cccnc1
CCCOc1ccccc1-c1cccc2cc(oc12)C(=O)NC1CNCCC1(F)F
Cc1nn(C)c(C)c1-c1cccc2cc(oc12)C(=O)NC1CN2CCC1CC2 |(6.68,-.96,;5.2,-1.36,;4.72,-2.83,;3.18,-2.83,;2.41,-4.16,;2.7,-1.36,;1.22,-.96,;3.95,-.46,;3.95,1.08,;5.28,1.85,;5.28,3.39,;3.95,4.16,;2.62,3.39,;1.15,3.87,;.25,2.62,;1.15,1.38,;2.62,1.85,;-1.29,2.62,;-2.06,3.96,;-2.06,1.29,;-3.6,1.29,;-4.37,2.62,;-5.91,2.62,;-6.68,1.29,;-5.91,-.05,;-4.37,-.05,;-4.59,1.26,;-5.59,1.26,)|
COc1ncc(cc1-c1cccc2cc(oc12)C(=O)NC12CCC(O)(CC1)C2)C#N
FC(F)(F)COc1ccccc1-c1cccc2nc(oc12)C(=O)N[C@H]1CNCCC1(F)F
CC(C)(CO)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)NC1CCCOC1
CC(C)(NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
C[C@@H](NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F |r|
FC(F)(F)COc1ccccc1-c1cc(Cl)cn2cc(nc12)C(=O)N[C@H]1CCOC1 |r|
COCC1(CC1)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
CN1CCN(CC1(C)C)C(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
CC(C)(CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)C#N
CC(CO)(NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
COCC(C)(C)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)N1Cc2cccnc2C1
CC(C)(C)NC(=O)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1
CC1(CCOC1)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
FC(F)(F)COc1ccccc1-c1cc(cn2cc(nc12)C(=O)Nc1cccnc1)C(F)(F)F
F[C@@H]1CCNC[C@H]1NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |r|
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)NC1CNCCC1(F)F
OCC12CCC(CC1)(CC2)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
O[C@H]1CC[C@@H](C1)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |r|
CC(C)(CO)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
OCC1(CCCC1)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
O[C@H]1CC[C@H](NC(=O)c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)[C@H](F)C1 |r|
NC(CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
O[C@H]1CC[C@@H](CC1)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |r,wU:4.7,wD:1.0,(-9.41,.96,;-7.87,.96,;-7.1,-.37,;-5.56,-.37,;-4.79,.96,;-5.56,2.29,;-7.1,2.29,;-3.25,.96,;-2.5,2.31,;-3.29,3.63,;-.96,2.31,;-.05,3.56,;1.41,3.08,;2.75,3.85,;4.08,3.08,;5.42,3.84,;4.08,1.54,;2.75,.77,;2.74,-.77,;1.41,-1.54,;1.41,-3.08,;2.74,-3.85,;4.07,-3.08,;4.07,-1.54,;5.41,-.77,;6.74,-1.54,;8.06,-.75,;9.39,.04,;9.41,-1.5,;8.06,.79,;1.41,1.54,;-.05,1.06,)|
OC12CCC(CC1)(C2)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
CC1(O)CCC(CC1)NC(=O)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1 |(-8.86,2.29,;-8.09,.96,;-9.18,-.13,;-7.32,2.29,;-5.78,2.29,;-5.01,.96,;-5.78,-.37,;-7.32,-.37,;-3.47,.96,;-2.72,2.31,;-3.51,3.63,;-1.18,2.31,;-.28,3.56,;1.19,3.08,;2.52,3.85,;3.86,3.08,;5.2,3.84,;3.86,1.54,;2.52,.77,;2.51,-.77,;1.18,-1.54,;1.18,-3.08,;2.51,-3.85,;3.85,-3.08,;3.85,-1.54,;5.18,-.77,;6.51,-1.54,;7.84,-.75,;9.16,.04,;9.18,-1.5,;7.84,.79,;1.19,1.54,;-.28,1.06,)|
OC[C@H]1CC[C@H](CC1)NC(=O)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1 |r,wU:5.8,2.1,(-9.79,2.29,;-9.02,.96,;-7.48,.96,;-6.71,2.29,;-5.17,2.29,;-4.4,.96,;-5.17,-.37,;-6.71,-.37,;-2.86,.96,;-2.11,2.31,;-2.9,3.63,;-.57,2.31,;.33,3.56,;1.8,3.08,;3.13,3.85,;4.47,3.08,;5.81,3.84,;4.47,1.54,;3.13,.77,;3.12,-.77,;1.79,-1.54,;1.79,-3.08,;3.12,-3.85,;4.46,-3.08,;4.46,-1.54,;5.79,-.77,;7.13,-1.54,;8.45,-.75,;9.77,.04,;9.79,-1.5,;8.45,.79,;1.8,1.54,;.33,1.06,)|
Fc1cc(-c2ccccc2OCC(F)(F)F)c2nc(cn2c1)C(=O)NC1CCCC1
OC[C@H]1CC[C@@H](CC1)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |r,wU:2.1,wD:5.8,(-9.79,2.29,;-9.02,.96,;-7.48,.96,;-6.71,2.29,;-5.17,2.29,;-4.4,.96,;-5.17,-.37,;-6.71,-.37,;-2.86,.96,;-2.11,2.31,;-2.9,3.63,;-.57,2.31,;.33,3.56,;1.8,3.08,;3.13,3.85,;4.47,3.08,;4.47,1.54,;3.13,.77,;3.12,-.77,;1.79,-1.54,;1.79,-3.08,;3.12,-3.85,;4.46,-3.08,;4.46,-1.54,;5.79,-.77,;7.13,-1.54,;8.45,-.75,;9.77,.04,;9.79,-1.5,;8.45,.79,;1.8,1.54,;.33,1.06,)|
COc1ccc(Cl)cc1-c1cccn2cc(nc12)C(=O)NC12CCC(O)(CC1)C2
OC[C@H]1CCC[C@H](C1)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |r|
O[C@H]1CC[C@@H](CC1)NC(=O)c1nc2c(cccn2c1F)-c1ccccc1OCC(F)(F)F |r,wU:4.7,wD:1.0,(-9.41,.39,;-7.87,.39,;-7.1,-.94,;-5.56,-.94,;-4.79,.39,;-5.56,1.73,;-7.1,1.73,;-3.25,.39,;-2.5,1.74,;-3.29,3.06,;-.96,1.72,;-.05,.48,;1.41,.95,;2.75,.18,;4.08,.95,;4.08,2.49,;2.75,3.26,;1.41,2.49,;-.05,2.97,;-.53,4.44,;2.74,-1.36,;1.41,-2.13,;1.41,-3.67,;2.74,-4.44,;4.07,-3.67,;4.07,-2.13,;5.41,-1.36,;6.74,-2.13,;8.06,-1.34,;9.39,-.55,;9.41,-2.09,;8.06,.2,)|
CC(C)(NC(=O)c1nc2c(cccn2c1F)-c1ccccc1OCC(F)(F)F)C(F)(F)F
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)N[C@@]1(CCOC1)C#N |r|
CC1(CCCOC1)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
O[C@H]1CC[C@@H](CC1)NC(=O)c1cn2cc(cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F |r,wU:4.7,wD:1.0,(-9.41,.29,;-7.87,.29,;-7.1,-1.04,;-5.56,-1.04,;-4.79,.29,;-5.56,1.63,;-7.1,1.63,;-3.25,.29,;-2.5,1.64,;-3.29,2.96,;-.96,1.64,;-.05,2.89,;1.41,2.41,;2.75,3.18,;4.08,2.41,;4.08,.87,;2.75,.1,;2.74,-1.44,;1.41,-2.21,;1.41,-3.75,;2.74,-4.52,;4.07,-3.75,;4.07,-2.21,;5.41,-1.44,;6.74,-2.21,;8.06,-1.42,;9.39,-.63,;9.41,-2.17,;8.06,.12,;1.41,.87,;-.05,.4,;5.41,3.18,;6.75,3.95,;4.64,4.52,;6.18,1.85,)|
CC(C)(CO)NC(=O)c1cn2cc(cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)NC(c1cccnc1)C(F)(F)F
O[C@H]1CC[C@@H](CC1)NC(=O)c1cn2cc(cc(-c3ccccc3OCC(F)(F)F)c2n1)C#N |r,wU:4.7,wD:1.0,(-9.41,.58,;-7.87,.58,;-7.1,-.76,;-5.56,-.76,;-4.79,.58,;-5.56,1.91,;-7.1,1.91,;-3.25,.58,;-2.5,1.92,;-3.29,3.24,;-.96,1.92,;-.05,3.17,;1.41,2.69,;2.75,3.46,;4.08,2.69,;4.08,1.15,;2.75,.38,;2.74,-1.15,;1.41,-1.92,;1.41,-3.46,;2.74,-4.23,;4.07,-3.46,;4.07,-1.92,;5.41,-1.15,;6.74,-1.92,;8.06,-1.14,;9.39,-.35,;9.41,-1.89,;8.06,.4,;1.41,1.15,;-.05,.68,;5.41,3.46,;6.75,4.23,)|
OC[C@H]1C[C@H](C1)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |r,wU:4.6,2.1,(-9.34,2.29,;-8.57,.96,;-7.03,.96,;-5.94,2.05,;-4.85,.96,;-5.94,-.13,;-3.31,.96,;-2.56,2.31,;-3.35,3.63,;-1.02,2.31,;-.12,3.56,;1.35,3.08,;2.68,3.85,;4.01,3.08,;4.01,1.54,;2.68,.77,;2.67,-.77,;1.34,-1.54,;1.34,-3.08,;2.67,-3.85,;4.01,-3.08,;4.01,-1.54,;5.34,-.77,;6.67,-1.54,;8,-.75,;9.32,.04,;9.34,-1.5,;8,.79,;1.35,1.54,;-.12,1.06,)|
CC(C)(NC(=O)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
FC(F)(F)COc1ccccc1-c1cc(cn2cc(nc12)C(=O)N[C@H]1CCCOC1)C(F)(F)F |r|
COc1cc(-c2ccccc2OCC(F)(F)F)c2nc(cn2c1)C(=O)NC(C)(C)C(F)(F)F
CC(C)(NC(=O)c1cn2cc(cc(-c3ccccc3OCC(F)(F)F)c2n1)C#N)C(F)(F)F
F[C@H]1COC[C@H]1NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |r|
F[C@H]1COC[C@@H]1NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |r|
OCC12CC(C1)(C2)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
FCC12CC(C1)CN2C(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |(-8.34,1.84,;-6.82,2.08,;-5.85,.88,;-6.25,-.61,;-4.96,-1.45,;-4.76,-.09,;-3.76,-.48,;-4.31,.96,;-3.56,2.31,;-4.35,3.63,;-2.02,2.31,;-1.12,3.56,;.35,3.08,;1.68,3.85,;3.02,3.08,;3.02,1.54,;1.68,.77,;1.67,-.77,;.34,-1.54,;.34,-3.08,;1.67,-3.85,;3.01,-3.08,;3.01,-1.54,;4.34,-.77,;5.68,-1.54,;7,-.75,;8.32,.04,;8.34,-1.5,;7,.79,;.35,1.54,;-1.12,1.06,)|
CN1CC2(C1)CN(CCO2)C(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)N1CCOC2(CCOC2)C1
FC(F)(F)COc1ccccc1-c1cc(cn2cc(nc12)C(=O)N1CCOC2(COC2)C1)C(F)(F)F
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)NCc1ccccn1
CC1(C)OCC1NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
CN(CCN1CCCC1)C(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)N1CCn2ccnc2C1
Cc1ccncc1NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
Fc1ccncc1NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
[O-][n+]1cccc(NC(=O)c2cn3cccc(-c4ccccc4OCC(F)(F)F)c3n2)c1
FC(F)(F)COc1ccccc1-c1cccn2cc(nc12)C(=O)Nc1ccncc1C#N
OCC1[C@@H]2CN(C[C@@H]12)C(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |r|
Fc1cc(-c2ccccc2OCC(F)(F)F)c2nc(cn2c1)C(=O)Nc1cccnc1
OCc1cn2cc(cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
CC(O)c1cn2cc(cc(-c3ccccc3OCC(F)(F)F)c2n1)C(F)(F)F
CC(O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
OC(C1CC1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
CC(C)(O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
CC(C)(O)c1cn2cc(Cl)cc(-c3ccc(F)cc3OCC(F)(F)F)c2n1
OC(C1CCOCC1)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1
CC1(C)CN=C(O1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:4|
CN1CC2(C1)CN=C(O2)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:7|
CC1(CO)CN=C(O1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:5|
CCC1COC(=N1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:5|
CC1(CO)COC(=N1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:6|
NCC1CN=C(O1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:4|
CC(C)(O)C1COC(=N1)c1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:7|
CC(C)(O)C1CN=C(O1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:6|
CC(C)(O)C1(C)CN=C(O1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:7|
CC(C)(O)C1(C)COC(=N1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1 |c:8|
CC(C)(C)NCc1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
NCc1cn2cc(F)cc(-c3ccccc3OCC(F)(F)F)c2n1
O[C@H]1CC(C1)C(=O)Nc1ccc2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |r,wU:1.0,(-8.95,-1.09,;-7.61,-.32,;-7.21,1.17,;-5.73,.77,;-6.12,-.72,;-4.39,1.54,;-4.39,3.08,;-3.06,.77,;-1.72,1.54,;-1.72,3.08,;-.39,3.85,;.94,3.08,;2.28,3.85,;3.61,3.08,;3.61,1.54,;2.28,.77,;2.28,-.77,;.94,-1.54,;.94,-3.08,;2.28,-3.85,;3.61,-3.08,;3.61,-1.54,;4.94,-.77,;6.28,-1.54,;7.61,-.77,;8.95,-1.54,;7.61,.77,;8.95,,;.94,1.54,;-.39,.77,)|
O[C@H]1C[C@@H](C1)C(=O)Nc1ccc2cccc(-c3ccccc3OCC(F)(F)F)c2n1 |r,wU:3.5,wD:1.0,(-8.89,-1.34,;-7.59,-.51,;-6.09,-.84,;-5.76,.66,;-7.26,.99,;-4.43,1.44,;-4.43,2.98,;-3.09,.69,;-1.81,1.54,;-1.81,3.08,;-.47,3.85,;.86,3.08,;2.19,3.85,;3.53,3.08,;3.53,1.54,;2.19,.77,;2.21,-.77,;.88,-1.54,;.88,-3.08,;2.21,-3.85,;3.54,-3.08,;3.54,-1.54,;4.88,-.77,;6.21,-1.54,;7.55,-.78,;7.56,.76,;8.89,-.02,;8.88,-1.55,;.86,1.54,;-.47,.77,)|
O[C@H]1C[C@@H](C1)C(=O)Nc1ccc2c(F)ccc(-c3ccccc3OCC(F)(F)F)c2n1 |r,wU:3.5,wD:1.0,(-8.89,-2.11,;-7.59,-1.28,;-6.09,-1.61,;-5.76,-.11,;-7.26,.22,;-4.43,.67,;-4.43,2.21,;-3.09,-.08,;-1.81,.77,;-1.81,2.31,;-.47,3.08,;.86,2.31,;2.19,3.08,;2.19,4.62,;3.53,2.31,;3.53,.77,;2.19,-0,;2.21,-1.54,;.88,-2.31,;.88,-3.85,;2.21,-4.62,;3.54,-3.85,;3.54,-2.31,;4.88,-1.54,;6.21,-2.31,;7.55,-1.55,;7.56,-.01,;8.89,-.79,;8.88,-2.32,;.86,.77,;-.47,-0,)|
O[C@H]1C[C@H](C1)NC(=O)c1cc2c(cccc2cn1)-c1ccccc1OCC(F)(F)F |r,wU:1.0,3.5,(-8.95,-1.09,;-7.61,-.32,;-7.21,1.17,;-5.73,.77,;-6.12,-.72,;-4.39,1.54,;-3.06,.77,;-3.06,-.77,;-1.72,1.54,;-.39,.77,;.94,1.54,;2.28,.77,;3.61,1.54,;3.61,3.08,;2.28,3.85,;.94,3.08,;-.39,3.85,;-1.72,3.08,;2.28,-.77,;.94,-1.54,;.94,-3.08,;2.28,-3.85,;3.61,-3.08,;3.61,-1.54,;4.94,-.77,;6.28,-1.54,;7.61,-.77,;8.95,-1.54,;7.61,.77,;8.95,,)|
Fc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;1.82,-3.52,;1.31,-2.03,;-.18,-1.72,;-1.21,-2.85,;-.74,-4.34,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.8,;4.8,3.98,;3.47,3.62,;2.23,4.24,;1.72,5.52,;3.11,6.13,;4.49,5.47,;-2.13,1.77,;-3.47,2.54,;-4.8,1.77,;-4.8,.23,;-3.47,-.54,;-2.13,.23,)|
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(OC(F)F)c(Cl)c2)c2c1COCC2
COc1ccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)cc1Cl
COc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(4.05,-6.02,;2.51,-6.02,;1.74,-4.69,;2.51,-3.36,;1.74,-2.03,;.2,-2.02,;-.57,-3.36,;.21,-4.69,;-.57,-.69,;.23,.63,;-.78,1.79,;-.43,3.29,;-1.55,4.34,;1.04,3.74,;2.09,2.61,;3.62,2.71,;4.49,3.98,;3.2,3.55,;1.93,4.06,;1.28,5.26,;2.62,6.02,;4.05,5.46,;-2.2,1.19,;-3.7,1.54,;-4.49,.22,;-3.49,-.94,;-2.07,-.34,)|
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(OC(F)F)cc2)c2c1CCC2
COc1ncc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)cc1Cl
Fc1ccc(cc1Cl)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;-.74,-4.34,;-1.21,-2.85,;-.18,-1.72,;1.31,-2.03,;1.82,-3.52,;3.31,-3.91,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.75,;4.8,3.98,;3.46,3.62,;2.23,4.23,;1.72,5.52,;3.11,6.13,;4.49,5.47,;-2.13,1.77,;-3.46,2.54,;-4.8,1.77,;-4.8,.23,;-3.46,-.54,;-2.13,.23,)|
[H][C@@]12C[C@]1([H])c1c(C2)c(nn1C(=O)N1CCN2CCC1CC2)-c1cnc(OC)c(Cl)c1 |r,wU:3.4,1.0,(-5.26,.25,;-3.72,.22,;-4.47,1.57,;-2.93,1.54,;-3.38,3.02,;-1.43,1.19,;-1.3,-.34,;-2.72,-.94,;.2,-.69,;1,.63,;-.01,1.79,;.34,3.29,;-.78,4.34,;1.81,3.74,;2.86,2.61,;4.39,2.71,;5.26,3.98,;3.97,3.55,;2.7,4.06,;2.05,5.26,;3.39,6.02,;4.82,5.46,;.97,-2.02,;.2,-3.36,;.98,-4.69,;2.51,-4.69,;3.28,-6.02,;4.82,-6.02,;3.28,-3.36,;4.82,-3.36,;2.51,-2.03,)|
O=C(N1CCN2CCC1CC2)n1nc(C23CCCC2C3)c2c1CCC2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1C1CC1CC2
[H][C@@]12C[C@]1([H])c1c(C2)c(nn1C(=O)N1CCN2CCC1CC2)-c1ccc(F)cc1 |r,wU:3.4,1.0,(-5.26,.25,;-3.72,.22,;-4.47,1.57,;-2.93,1.54,;-3.38,3.02,;-1.43,1.19,;-1.3,-.34,;-2.72,-.94,;.2,-.69,;1,.63,;-.01,1.79,;.34,3.29,;-.78,4.34,;1.81,3.74,;2.86,2.61,;4.39,2.71,;5.26,3.98,;3.97,3.55,;2.7,4.06,;2.05,5.26,;3.39,6.02,;4.82,5.46,;.97,-2.02,;2.51,-2.03,;3.28,-3.36,;2.51,-4.69,;3.28,-6.02,;.98,-4.69,;.2,-3.36,)|
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1CCC2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1CCOC2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1C1CCC2C1
Fc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2CC3CC3c12 |(2.76,-6.02,;1.99,-4.69,;2.76,-3.36,;1.99,-2.03,;.45,-2.02,;-.32,-3.36,;.46,-4.69,;-.32,-.69,;.48,.63,;-.53,1.79,;-.18,3.29,;-1.3,4.34,;1.29,3.74,;2.34,2.61,;3.87,2.71,;4.75,3.98,;3.45,3.55,;2.18,4.06,;1.53,5.26,;2.87,6.02,;4.3,5.46,;-1.95,1.19,;-3.45,1.54,;-4.24,.22,;-4.75,-1.23,;-3.24,-.94,;-1.82,-.34,)|
CC1CCc2c(-c3ccc(F)cc3)nn(C(=O)N3CCN4CCC3CC4)c21
CC1(C)COc2c(-c3ccc(F)cc3)nn(C(=O)N3CCN4CCC3CC4)c21
CC1(C)Cc2c(CO1)c(nn2C(=O)N1CCN2CCC1CC2)-c1ccc(F)cc1 |(-4.8,3.11,;-4.03,1.77,;-5.57,1.77,;-2.69,2.54,;-1.36,1.77,;-1.36,.23,;-2.69,-.54,;-4.03,.23,;.13,-.28,;1.05,1,;.13,2.23,;.59,3.67,;-.49,4.8,;2.08,4.03,;3.05,2.8,;4.59,2.8,;5.57,3.98,;4.24,3.62,;3,4.23,;2.49,5.52,;3.88,6.13,;5.26,5.47,;.59,-1.72,;2.08,-2.03,;2.59,-3.52,;1.57,-4.65,;1.97,-6.13,;.03,-4.34,;-.44,-2.85,)|
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1CCC(F)(F)C2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1CC(F)(F)C2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)cc2)c2c1CC(O)C2
Cn1ncc2ccc(-c3nn(C(=O)N4CCN5CCC4CC5)c4c3CCC4)cc21
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(Cl)cn2)c2c1COCC2
CC1(C)CCCN(c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)C1
O=C(N1CCN2CCC1CC2)n1nc(-n2nc(C(F)(F)F)ccc2=O)c2c1CCOC2
O=C(N1CCN2CCC1CC2)n1nc(OC2CCCC2)c2c1CCC2
O=C(N1CCN2CCC1CC2)n1nc(-c2cccc(Cl)c2F)c2c1COCC2
Cc1ccccc1-c1nn(C(=O)N2CCN3CCC2CC3)c2c1CCOC2
O=C(N1CCN2CCC1CC2)n1nc(-c2cc(Cl)ccc2F)c2c1COCC2
FC(F)(F)c1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(2.68,-5.79,;1.19,-5.39,;.1,-6.48,;1.59,-6.88,;.8,-3.9,;1.82,-2.77,;1.31,-1.28,;-.18,-.98,;-1.21,-2.1,;-.74,-3.59,;-.64,.46,;.28,1.75,;-.64,2.98,;-.18,4.41,;-1.26,5.54,;1.31,4.77,;2.28,3.54,;3.82,3.54,;4.8,4.72,;3.46,4.36,;2.23,4.98,;1.72,6.26,;3.11,6.88,;4.49,6.21,;-2.13,2.52,;-3.46,3.29,;-4.8,2.52,;-4.8,.98,;-3.46,.21,;-2.13,.98,)|
Cc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(2.51,-6.02,;1.74,-4.69,;2.51,-3.36,;1.74,-2.03,;.2,-2.02,;-.57,-3.36,;.21,-4.69,;-.57,-.69,;.23,.63,;-.78,1.79,;-.43,3.29,;-1.55,4.34,;1.04,3.74,;2.09,2.61,;3.62,2.71,;4.49,3.98,;3.2,3.55,;1.93,4.06,;1.28,5.26,;2.62,6.02,;4.05,5.46,;-2.2,1.19,;-3.7,1.54,;-4.49,.22,;-3.49,-.94,;-2.07,-.34,)|
COc1ncc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)cc1Cl
Cn1nc(C(F)(F)F)cc1-c1nn(C(=O)N2CCN3CCC2CC3)c2c1CCC2
COc1nccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)c1Cl
O=C(N1CCN2CCC1CC2)n1nc(C2=CCC(F)(F)CC2)c2c1COCC2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)c(Cl)c2)c2c1CCOC2
O=C(N1CCN2CCC1CC2)n1nc(C2=CCCC2)c2c1CCC2
COc1c(F)cccc1-c1nn(C(=O)N2CCN3CCC2CC3)c2c1CCC2
Cc1cccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2COCC3)c1F
COc1nccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)c1Cl
COc1cccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)c1F
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)c(F)c2F)c2c1CCOC2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc3c(c2)CCO3)c2c1CCC2
COc1ccc(F)c(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)c1
O=C(N1CCN2CCC1CC2)n1nc(-c2cc(F)c(F)cc2F)c2c1CCOC2
O=C(N1CCN2CCC1CC2)n1nc(-c2cc(F)c(F)c(F)c2)c2c1CCOC2
COc1ncc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2COCC3)cc1Cl
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(Cl)cn2)c2c1CCOC2
O=C(N1CCN2CCC1CC2)n1nc(-c2cc(Cl)c(F)cn2)c2c1COCC2
O=C(N1CCN2CCC1CC2)n1nc(-c2ccc(F)c(Cl)c2)c2c1COC2
O=C(N1CCN2CCC1CC2)n1nc(N2CCC(F)(F)CC2)c2c1CCC2
O=C(N1CCN2CCC1CC2)n1nc(N2CCC3(CC2)CC3)c2c1COCC2
O=C(N1CCN2CCC1CC2)n1nc(-n2cc(C(F)(F)F)cn2)c2c1COCC2
FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(.45,-6.29,;-.64,-5.2,;-2.13,-5.6,;-1.04,-6.69,;-.24,-3.72,;1.1,-3.18,;1.1,-1.61,;-.39,-1.21,;-1.21,-2.51,;-.79,.28,;.14,1.56,;-.79,2.79,;-.32,4.23,;-1.4,5.36,;1.16,4.59,;2.14,3.36,;3.68,3.36,;4.65,4.54,;4.35,6.03,;2.96,6.69,;1.57,6.08,;2.09,4.79,;3.32,4.18,;-2.28,2.33,;-3.74,2.79,;-4.65,1.54,;-3.78,.32,;-2.28,.79,)|
Clc1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(-.5,-5.95,;-.1,-4.46,;1.25,-3.93,;1.25,-2.35,;-.24,-1.96,;-1.06,-3.25,;-.64,-.47,;.28,.82,;-.64,2.05,;-.18,3.48,;-1.26,4.61,;1.31,3.84,;2.28,2.61,;3.82,2.61,;4.8,3.79,;3.46,3.43,;2.23,4.05,;1.72,5.33,;3.1,5.95,;4.49,5.28,;-2.13,1.59,;-3.46,2.35,;-4.8,1.59,;-4.8,.05,;-3.46,-.72,;-2.13,.05,)|
O=C(N1CCN2CCC1CC2)n1nc(-n2cc(Cl)cn2)c2c1CCC2
Cc1cnn(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)c1
COc1cnn(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCC3)c1
FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2CCOCc12 |(.59,-6.29,;-.5,-5.2,;-1.99,-5.6,;-.9,-6.69,;-.1,-3.71,;1.25,-3.18,;1.25,-1.61,;-.24,-1.21,;-1.06,-2.5,;-.64,.28,;.28,1.56,;-.64,2.79,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.36,;4.8,4.54,;3.46,4.18,;2.23,4.79,;1.72,6.08,;3.1,6.69,;4.49,6.02,;-2.13,2.33,;-3.46,3.1,;-4.8,2.33,;-4.8,.79,;-3.46,.02,;-2.13,.79,)|
O=C(N1CCN2CCC1CC2)n1nc(-n2cc(Cl)cn2)c2c1CCOC2
[H][C@@]12C[C@]1([H])c1c(C2)c(nn1C(=O)N1CCN2CCC1CC2)-n1cc(cn1)C(F)(F)F |r,wU:1.0,3.4,(-5.42,1.39,;-3.89,1.54,;-4.5,2.96,;-2.97,2.79,;-3.59,4.2,;-1.51,2.33,;-1.51,.79,;-3.01,.32,;-.02,.28,;.9,1.56,;-.02,2.79,;.44,4.23,;-.64,5.36,;1.93,4.59,;2.91,3.36,;4.45,3.36,;5.42,4.54,;5.11,6.03,;3.73,6.69,;2.34,6.08,;2.85,4.79,;4.09,4.18,;.38,-1.21,;-.44,-2.51,;.52,-3.72,;1.87,-3.18,;1.87,-1.61,;.12,-5.2,;1.21,-6.29,;-1.36,-5.6,;-.27,-6.69,)|
CC1CCOc2c1c(-c1ccc(F)cc1)nn2C(=O)N1CCN2CCC1CC2
CC1CCc2c(-c3ccc(F)cc3)nn(C(=O)N3CCN4CCC3CC4)c2O1
Cc1c(-c2ccc(F)cc2)nn(C(=O)N2CCN3CCC2CC3)c1C
OCc1cnc(C2CC2)nc1OC[C@H]1CCN(C2C=NC(C(F)(F)F)=CC2)C1
OCc1cnc(C2CC2)nc1OC[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1
OCc1cnc(C2CC2)nc1OC[C@@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1
OCc1cnc(C2CC2)nc1OC[C@H]1CN(c2ccc(C(F)(F)F)nc2)CCO1
OCc1cnc(C2CC2)nc1OCC1CCN(c2ccc(C(F)(F)F)nc2)CC1
OCc1cnc(C2CC2)nc1OC1CCN(c2ccc(C(F)(F)F)nc2)CC1
N#Cc2cnc(C1CC1)nc2OC[C@H]5CCN(c4ccc(n3cccn3)cc4)C5
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cnc(-c3ccccc3)o2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cccc(-c3ncco3)c2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cccc(-c3nccs3)c2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-c3ncco3)cc2)C1
COc1cccc(N2CC[C@H](COc3nc(C4CC4)ncc3C#N)C2)n1
Cc1nnc(-c2ccc(N3CC[C@H](COc4nc(C5CC5)ncc4C#N)C3)cc2)s1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2sccc2C#N)C1
Cc1nccc(-c2cccc(N3CC[C@H](COc4nc(C5CC5)ncc4C#N)C3)c2)n1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cccc(-n3cccn3)c2)C1
Cc1cnc(N2CC[C@H](COc3nc(C4CC4)ncc3C#N)C2)c(C)c1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-c3ccno3)cc2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-c3ccon3)cc2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cccc(-n3nccn3)c2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cnc3ccsc3c2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-c3cnco3)cc2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2nnc(C3CC3)s2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(C3CC3)nc2)C1
CCOc1ccc(N2CC[C@H](COc3nc(C4CC4)ncc3C#N)C2)cn1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ncccc2C(F)F)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccnc(C3CCC3)c2)C1
COc1ccc(C)nc1N1CC[C@H](COc2nc(C3CC3)ncc2C#N)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(OC(F)F)cn2)C1
Cc1cc(N2CC[C@H](COc3nc(C4CC4)ncc3C#N)C2)ncc1F
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-n3ccnc3)cc2)C1
CC(F)(F)c1ccnc(N2CC[C@H](COc3nc(C4CC4)ncc3C#N)C2)c1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cccc3cnccc23)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cccc3ncccc23)C1
N#Cc1ccc(N2CC[C@H](COc3nc(C4CC4)ncc3C#N)C2)cc1F
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cc(F)ncc2Cl)C1
N#Cc1cnc(C2CC2)nc1OC[C@@H]1CCN(c2cc(F)ncc2Cl)C1
COc1cc(N2CC[C@@H](COc3nc(C4CC4)ncc3C#N)C2)c(F)cn1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2csc3c(Cl)ncnc23)C1
Cc1nc(-c2ccc(N3CC[C@H](COc4nc(C5CC5)ncc4C#N)C3)cc2)co1
N#Cc1cnc(C2CC2)nc1OC[C@@H]1CCN(c2ncc(C(F)(F)F)cn2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ncc(C(F)(F)F)cn2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(C(F)(F)F)nc2)C1
N#Cc1cnc(C2CC2)nc1OC[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccnc(OC3CC3)c2)C1
N#Cc1cnc(C2CC2)nc1NC[C@H]1CCN(c2ccc(-n3cccn3)nc2)C1
CN(C[C@H]1CCN(c2ccc(-n3cccn3)nc2)C1)c1nc(C2CC2)ncc1C#N
CC(Oc1nc(C2CC2)ncc1C#N)[C@H]1CCN(c2ncc(C(F)(F)F)cn2)C1
N#Cc1cnc(C2CC2)nc1OCC12CC1CN(c1ncc(C(F)(F)F)cn1)C2
CC1(COc2nc(C3CC3)ncc2C#N)CCN(c2ncc(C(F)(F)F)cn2)C1
CC1CN(c2ncc(C(F)(F)F)cn2)CC1COc1nc(C2CC2)ncc1C#N
N#Cc1cnc(C2CC2)nc1OCC12CC(C1)N(c1ncc(C(F)(F)F)cn1)C2
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2ccc(-n3cccn3)nc2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(c2cnc(-n3cccn3)cn2)C1
N#Cc1cnc(C2CC2)nc1OCC1CCN(c2ccc(Cl)cc2)C1
N#Cc1cnc(C2CC2)nc1OCC1CCN(c2ccc(Cl)cc2)C1
N#Cc1cnc(C2CC2)nc1OCC1CCCN1c1ccccc1
N#Cc1cnc(C2CC2)nc1OC1CN(Cc2ccc(F)cc2)C1
N#Cc1cnc(C2CC2)nc1OC[C@H]1C[C@@H]1c1ccc(F)cn1
N#Cc1cnc(C2CC2)nc1OC[C@@H]1C[C@H]1c1ccc(F)cn1
COc1ccc2c(c1)C(Nc1nc(C3CC3)ncc1C#N)CC2
N#Cc1cnc(C2CC2)nc1N1CCC2(CC1)Cc1cc(F)ccc1O2
N#Cc1cnc(C2CC2)nc1N1Cc2cccn3c(C(=O)NCC4CC4)cc(c23)C1
N#Cc1cnc(C2CC2)nc1N1CCc2nc[nH]c2C1c1cccc(F)c1
CNC(=O)[C@]12CN(c3nc(C4CC4)ncc3C#N)C[C@H]1C(c1ccc(C)cc1)=NO2
N#Cc1cnc(C2CC2)nc1N1CCOCC1c1ccccc1F
N#Cc1cnc(C2CC2)nc1N1CCc2c(sn(Cc3ccc(F)cc3)c2=O)C1
N#Cc1cnc(C2CC2)nc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
CC(C)N1C(=O)[C@]2(c3ccsc3)CN(c3nc(C4CC4)ncc3C#N)C[C@@H]2S1(=O)=O
N#Cc1cnc(C2CC2)nc1N1CC2CCCC1CN(Cc1ccccc1)C2
N#Cc1cnc(C2CC2)nc1N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
N#Cc1cnc(C2CC2)nc1N(CC1CCCO1)CC1CC2C=CC1C2
N#Cc1cnc(C2CC2)nc1N1CCC2(CC1)NC(=O)Nc1ccccc12
N#Cc1cnc(C2CC2)nc1N1CCCC(c2cc3cccnc3[nH]2)C1
CCNC(=O)[C@]12CN(c3nc(C4CC4)ncc3C#N)C[C@H]1C(Oc1ccccc1)=NO2
N#Cc1cnc(C2CC2)nc1N1CCC(N2CCN(Cc3ccc(F)cc3)S2(=O)=O)CC1
N#Cc1cnc(C2CC2)nc1N1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1
COC(=O)C[C@@H]1COc2cc(OC3CN(c4nc(C5CC5)ncc4C#N)C3)ccc21
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3CC3)ncc2C#N)C[C@@H]1C
N#Cc1cnc(C2CC2)nc1NC1CCN(Cc2ccccc2)C1c1ccccc1
N#Cc1cnc(C2CC2)nc1N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1
N#Cc1cnc(C2CC2)nc1NC(c1ccccc1)C1(N2CCCCC2)CCC1
CNC(=O)C12CN(c3nc(C4CC4)ncc3C#N)CC1C(c1ccc(C)cc1)=NO2
N#Cc1cnc(C2CC2)nc1N1CC2OCCN(Cc3ccccc3)C2C1
N#Cc1ccccc1C1CCN(c2nc(C3CC3)ncc2C#N)C1
Cc1ccc(-c2noc(CN3CCN(c4nc(C5CC5)ncc4C#N)CC3)n2)cc1
N#Cc1cnc(C2CC2)nc1N1C[C@@H]2C[C@H]1CN2Cc1ccc(Cl)cc1
N#Cc1cnc(C2CC2)nc1N(CC1CCC1)CC1CCCO1
N#Cc1cnc(C2CC2)nc1NC1CCc2ccc(O)cc21
N#Cc1cnc(C2CC2)nc1NC1CN(C(c2ccccc2)c2ccccc2)C1
CC(C)c1nc(-c2cccnc2N2CCN(c3nc(C4CC4)ncc3C#N)CC2)no1
N#Cc1cnc(C2CC2)nc1NC1CCCc2sc(C3CCCCC3)nc21
N#Cc1cnc(C2CC2)nc1NC1CCCc2sc(C3CCCC3)nc21
N#Cc1cnc(C2CC2)nc1NC1CCCc2sc(C3CCC3)nc21
N#Cc1cnc(C2CC2)nc1OC1CCc2ccc(OC(F)(F)F)cc21
N#Cc1cnc(C2CC2)nc1OC1CCc2ccc(C(F)(F)F)cc21
N#Cc1cnc(C2CC2)nc1OCC1CCCN(c2ccc(Cl)cc2)C1
N#Cc1cnc(C2CC2)nc1OCC1CCN(c2ccccc2)C1
CN1C(=O)CC(COc2nc(C3CC3)ncc2C#N)C1c1cccc(Cl)c1
N#Cc1cnc(C2CC2)nc1OCC1CCC(c2ccccc2)O1
N#Cc1cnc(C2CC2)nc1OCC12CC(COCc3ccccc3)(CO1)C2
N#Cc1cnc(C2CC2)nc1OCC1CCCN1Cc1ccc(F)cc1
COc1ccc(N2CCC(Oc3nc(C4CC4)ncc3C#N)C2)cc1
N#Cc1cnc(C2CC2)nc1OCC1CCCN1Cc1ccccc1Cl
COc1ccc(N2CCC(COc3nc(C4CC4)ncc3C#N)C2)cc1
N#Cc1cnc(C2CC2)nc1OC[C@H]1CCN(C2CCC(F)(F)CC2)C1
Cc1nc2c(s1)CCCC2Nc1nc(C2CC2)nc(Cl)c1CO
Cc1nc2c(s1)CCCC2Nc1nc(C2CC2)nc(Cl)c1CO
OCc1c(Cl)nc(C2CC2)nc1N1Cc2nc(Br)sc2C1
OCc1c(Cl)nc(C2CC2)nc1N1Cc2nc(-c3ccccc3)oc2C1
OCc1c(Cl)nc(C2CC2)nc1N1CCC[C@@H]1c1ncc(-c2ccccc2)s1
OCc1c(Cl)nc(C2CC2)nc1N1CCc2nc(C3CC3)sc2C1
OCc1c(Cl)nc(C2CC2)nc1NC1CCCc2sc(C3CCCCC3)nc21
CCC(C)c1nc2c(s1)CCCC2Nc1nc(C2CC2)nc(Cl)c1CO
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CC(CC(C)C)CC2=O)n1
Cc1nc(N2CC(c3nc4ccccc4[nH]3)C2)cc(N2CC(CC(C)C)CC2=O)n1
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CC(c3ccccc3)CC2=O)n1
Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(N2CC3(CCCC3)CC2=O)n1
COC(=O)c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1
C=Cc1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1
Cc1nc2c(s1)CCCC2Nc1nc(C2CC2)nc(Cl)c1C(F)F
Cc1nc2c(s1)CCCC2Nc1nc(C2CC2)nc(C)c1C#N
COc1ccc(N2CCC3(CCN(c4nc(C5CC5)ncc4CO)C3)C2)cc1
CC1=NC2CCCC(Oc3nc(C4CC4)ncc3C#N)C2S1
O=C(NC1CCCc2cc(-c3ccc(F)cc3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(Cl)cc3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cccc(F)c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cccc(Cl)c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cccc(C(F)(F)F)c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cccc(OC(F)(F)F)c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccccc3F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccccc3Cl)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccccc3C(F)(F)F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccccc3OC(F)(F)F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(OC(F)F)cc3)ccc21)O[C@H]1CN2CCC1CC2
Cc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
O=C(NC1CCCc2cc(-c3ccc(F)c(F)c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cc(F)ccc3F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cc(F)cc(F)c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(F)cc3F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cccc(F)c3F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(F)c(F)c3F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cc(F)c(F)cc3F)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cc(Cl)ccc3Cl)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cc(Cl)cc(Cl)c3)ccc21)O[C@H]1CN2CCC1CC2
COCCOc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COCOc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COCCOc1cccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)c1
COCOc1cccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)c1
COCCOc1ccccc1-c1ccc2c(c1)CCCC2NC(=O)O[C@H]1CN2CCC1CC2
COCOc1ccccc1-c1ccc2c(c1)CCCC2NC(=O)O[C@H]1CN2CCC1CC2
CCc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CCCc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CCCCc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CC(C)c1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CC(C)Cc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CC(C)(C)c1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
O=C(NC1CCCc2cc(-c3ccc(C4CC4)cc3)ccc21)O[C@H]1CN2CCC1CC2
CCc1cccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)(C)c1cccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)c1cccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)c1
CCc1ccccc1-c1ccc2c(c1)CCCC2NC(=O)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc4c(c3)OCCO4)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc4c(c3)OCC4)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccc(N4CCOCC4)cc3)ccc21)O[C@H]1CN2CCC1CC2
COc1ccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COc1cccc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1ccccc1-c1ccc2c(c1)CCCC2NC(=O)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccncc3F)ccc21)O[C@H]1CN2CCC1CC2
Cc1cc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)ccn1
COc1cc(-c2ccc3c(c2)CCCC3NC(=O)O[C@H]2CN3CCC2CC3)ccn1
O=C(NC1CCCc2cc(-c3cnc4[nH]ccc4c3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3cncnc3)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2cc(-c3ccnc4[nH]ccc34)ccc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccc(F)cc3)cc21)O[C@H]1CN2CCC1CC2
Cc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)cc1
O=C(NC1CCCc2ccc(-c3cccc(F)c3)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3cccc(F)c3)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3cccc(C(F)(F)F)c3)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccccc3F)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccccc3Cl)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccccc3C(F)(F)F)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccc(F)c(F)c3)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccc(F)cc3F)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3cc(F)c(F)cc3F)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3cc(F)ccc3F)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3cc(F)cc(F)c3)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccc(F)c(F)c3F)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccc(Cl)c(Cl)c3)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3cc(Cl)ccc3Cl)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3ccncc3)cc21)O[C@H]1CN2CCC1CC2
O=C(NC1CCCc2ccc(-c3cccnc3)cc21)O[C@H]1CN2CCC1CC2
Cc1ccccc1-c1ccc2c(c1)C(NC(=O)O[C@H]1CN3CCC1CC3)CCC2
COc1ccccc1-c1ccc2c(c1)C(NC(=O)O[C@H]1CN3CCC1CC3)CCC2
CCOc1ccccc1-c1ccc2c(c1)C(NC(=O)O[C@H]1CN3CCC1CC3)CCC2
COc1cccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)c1
CC(C)Oc1ccccc1-c1ccc2c(c1)C(NC(=O)O[C@H]1CN3CCC1CC3)CCC2
COCCOc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)cc1
COc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)cc1
CCOc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)cc1
CCCOc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)cc1
CC(C)Oc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)cc1
O=C(NC1CCCc2ccc(-c3ccc4c(c3)OCO4)cc21)O[C@H]1CN2CCC1CC2
Cc1cccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)CCC3)c1
CC1(C)CCc2cc(-c3ccc(F)cc3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccc(Cl)cc3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cccc(F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cccc(Cl)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cccc(C(F)(F)F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccccc3F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccccc3Cl)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccccc3C(F)(F)F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccccc3OC(F)(F)F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
Cc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CC1(C)CCc2cc(-c3ccc(OC(F)F)cc3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccc(F)c(F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccc(F)cc3F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cccc(F)c3F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cc(F)ccc3F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cc(F)cc(F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cc(Cl)ccc3Cl)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccc(Cl)c(Cl)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cc(Cl)cc(Cl)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3cc(F)c(F)cc3F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccc(F)c(F)c3F)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
COCCOc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COCCOc1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COCCOc1ccccc1-c1ccc2c(c1)CCC(C)(C)C2NC(=O)O[C@H]1CN2CCC1CC2
COCOc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COCOc1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COCOc1ccccc1-c1ccc2c(c1)CCC(C)(C)C2NC(=O)O[C@H]1CN2CCC1CC2
COc1cc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)ccn1
Cc1cc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)ccn1
CC1(C)CCc2cc(-c3ccnc(F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2cc(-c3ccnc(C(F)(F)F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
COc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COc1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CCOc1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c(Cl)c1
COc1cc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)ccc1Cl
COc1ccc(Cl)c(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1F
CCc1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)(C)c1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)c1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC1(C)CCc2cc(-c3cccc(C(F)F)c3)ccc2C1NC(=O)O[C@H]1CN2CCC1CC2
CN(C)c1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)Oc1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1cccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1OC
COc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c(OC)c1
COc1ccc(OC)c(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1cccc(OC)c1-c1ccc2c(c1)CCC(C)(C)C2NC(=O)O[C@H]1CN2CCC1CC2
COc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1OC
COc1cc(OC)cc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1Cl
CCOc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1Cl
CCCOc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1Cl
CC(C)Oc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1F
CCCCOc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1Cl
CCOc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1F
CCCOc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1F
CCCOc1c(C)cc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1C
CCCCOc1c(C)cc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1C
COc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)c(F)c1
CC(C)Oc1ccc(-c2ccc3c(c2)CCC(C)(C)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1Cl
CC(=O)c1sccc1-c1ccc2c(c1)CCC(C)(C)C2NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccc(F)cc3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccc(Cl)cc3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3cccc(F)c3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3cccc(Cl)c3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3cccc(C(F)(F)F)c3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3cccc(OC(F)(F)F)c3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccccc3F)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccccc3Cl)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccccc3C(F)(F)F)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
CC1(C)CCc2ccc(-c3ccccc3OC(F)(F)F)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
COc1ccccc1-c1ccc2c(c1)C(NC(=O)O[C@H]1CN3CCC1CC3)C(C)(C)CC2
CC1(C)CCc2ccc(-c3ccc(OC(F)F)cc3)cc2C1NC(=O)O[C@H]1CN2CCC1CC2
COCCOc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1
COCCOc1cccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)c1
COCCOc1ccccc1-c1ccc2c(c1)C(NC(=O)O[C@H]1CN3CCC1CC3)C(C)(C)CC2
COCOc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1
COCOc1cccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)c1
COCOc1ccccc1-c1ccc2c(c1)C(NC(=O)O[C@H]1CN3CCC1CC3)C(C)(C)CC2
O=C(NC1c2cc(-c3ccc(F)cc3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3ccc(Cl)cc3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3cccc(F)c3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3cccc(Cl)c3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3cccc(C(F)(F)F)c3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3cccc(OC(F)(F)F)c3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3ccccc3F)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3ccccc3Cl)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3ccccc3C(F)(F)F)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2cc(-c3ccccc3OC(F)(F)F)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
Cc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)C2(CC3)CC2)cc1
O=C(NC1c2cc(-c3ccc(OC(F)F)cc3)ccc2CCC12CC2)O[C@H]1CN2CCC1CC2
COCOc1ccc(-c2ccc3c(c2)C(NC(=O)O[C@H]2CN4CCC2CC4)C2(CC3)CC2)cc1
O=C(NC1c2ccc(-c3ccc(F)cc3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2ccc(-c3ccc(Cl)cc3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2ccc(-c3cccc(F)c3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2ccc(-c3cccc(Cl)c3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2ccc(-c3cccc(C(F)(F)F)c3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
O=C(NC1c2ccc(-c3cccc(OC(F)(F)F)c3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
COCCOc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COCCOc1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COCCOc1ccccc1-c1ccc2c(c1)CCC1(CC1)C2NC(=O)O[C@H]1CN2CCC1CC2
COCOc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COCOc1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COCOc1ccccc1-c1ccc2c(c1)CCC1(CC1)C2NC(=O)O[C@H]1CN2CCC1CC2
COc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c(Cl)c1
COc1cc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)ccc1Cl
COc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1F
CCc1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)(C)c1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)c1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
O=C(NC1c2ccc(-c3cccc(C(F)F)c3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
CN(C)c1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)Oc1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1OC
COc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c(OC)c1
COc1ccc(OC)c(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1cccc(OC)c1-c1ccc2c(c1)CCC1(CC1)C2NC(=O)O[C@H]1CN2CCC1CC2
COc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1OC
COc1cc(OC)cc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
COc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
COc1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CCOc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CCOc1cccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)c1
CC(C)Oc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CCCOc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CCc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CCCc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CC(C)c1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CC(C)Cc1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
CC(C)(C)c1ccc(-c2ccc3c(c2)CCC2(CC2)C3NC(=O)O[C@H]2CN3CCC2CC3)cc1
O=C(NC1c2ccc(-c3ccc(C4CC4)cc3)cc2CCC12CC2)O[C@H]1CN2CCC1CC2
COc1ccc(-c2cc3c(cc2F)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1F
CCCOc1c(C)cc(-c2cc3c(cc2F)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1C
CCCc1ccc(-c2cc3c(cc2F)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1
CC(C)Cc1ccc(-c2cc3c(cc2F)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1
CC(C)(C)Oc1cc(-c2cc3c(cc2F)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)ccn1
CC(C)Oc1ccc(-c2cc3c(cc2F)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1
COc1ccc(-c2cc3c(cc2OC)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1F
CCCOc1c(C)cc(-c2cc3c(cc2OC)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1C
CCCc1ccc(-c2cc3c(cc2OC)C(NC(=O)O[C@H]2CN4CCC2CC4)C(C)(C)CC3)cc1
COc1cc2c(cc1-c1ccc(CC(C)C)cc1)CCC(C)(C)C2NC(=O)O[C@H]1CN2CCC1CC2
COc1cc2c(cc1-c1ccnc(OC(C)(C)C)c1)CCC(C)(C)C2NC(=O)O[C@H]1CN2CCC1CC2
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 |r|
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 |r|
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 |r|
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OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Cc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
COc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
COc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C#N |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(c1)C#N |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1C#N |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)cc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1F |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(Cl)cc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCOc2c1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCCOc2c1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc2OCCCOc2c1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccncc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccnc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cncnc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccnc(F)c1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)nc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
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OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 |r|
CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc(O)cc1
CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc2OCCOc2c1
CCCCN1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c1ccccc1
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O
OC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O |r|
C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O
OC[C@@H]1NC[C@H](O)[C@@H](O)[C@H]1O
CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO |r|
OC[C@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CN[C@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN[C@@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN(C)[C@@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN(C)C1CN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCC1(C)CC1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCC(C)(C)C)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccnc(Cl)c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccncc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1cnc(C)o1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccc2OCCOc2c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1C |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cc(F)cnc1Oc1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cc(F)cnc1Oc1ccc(Cl)cc1 |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cc(Br)cnc1Oc1ccc(Cl)cc1 |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1ccc(C)nc1Oc1ccc(Cl)cc1 |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(C)c(C)c1 |r|
CN(C)c1cccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N2CCN(C)CC2)c1 |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1c(Cl)cccc1Cl |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(F)cc1F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(F)cc1 |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccccc1 |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(C)cc1 |r|
CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r|
CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1 |r|
CN1CCN(CC1)C(=O)[C@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1 |r|
FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CN3CCC2CC3)c(Cl)c1 |r,wD:18.18,31.32,(8.76,-41.16,;8.77,-39.62,;10.11,-38.85,;10.1,-40.39,;7.44,-38.85,;6.1,-39.61,;4.77,-38.83,;4.79,-37.3,;3.46,-36.52,;3.47,-34.98,;4.8,-34.21,;4.8,-32.67,;3.46,-31.9,;2.13,-32.67,;2.14,-34.2,;.8,-34.97,;.8,-36.51,;-.53,-34.2,;-1.86,-34.96,;-1.87,-36.5,;-3.2,-37.27,;-3.2,-38.81,;-1.87,-39.59,;-1.87,-41.13,;-.54,-41.91,;.8,-41.14,;.79,-39.59,;-.54,-38.83,;-3.2,-34.19,;-3.19,-32.65,;-4.53,-34.96,;-5.86,-34.19,;-7.2,-34.96,;-8.53,-34.18,;-8.53,-32.64,;-7.19,-31.88,;-5.86,-32.65,;-7.4,-32.68,;-7,-34.18,;6.11,-36.53,;6.11,-34.99,;7.44,-37.3,)|
FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@H]2CN3CCC2CC3)c(Cl)c1 |r,wU:31.32,wD:18.18,(32.59,-40.93,;32.59,-39.39,;33.93,-38.62,;33.92,-40.16,;31.26,-38.61,;29.92,-39.38,;28.59,-38.6,;28.61,-37.06,;27.28,-36.29,;27.29,-34.75,;28.62,-33.98,;28.63,-32.44,;27.29,-31.67,;25.96,-32.44,;25.96,-33.97,;24.63,-34.74,;24.62,-36.28,;23.3,-33.96,;21.96,-34.73,;21.96,-36.27,;20.62,-37.04,;20.62,-38.58,;21.96,-39.36,;21.95,-40.9,;23.28,-41.67,;24.62,-40.9,;24.62,-39.36,;23.28,-38.59,;20.63,-33.96,;20.63,-32.42,;19.29,-34.73,;17.96,-33.95,;16.62,-34.73,;15.29,-33.95,;15.3,-32.41,;16.64,-31.64,;17.96,-32.42,;16.42,-32.45,;16.82,-33.94,;29.94,-36.29,;29.93,-34.75,;31.26,-37.06,)|
OC[C@@H]1NCC[C@@H](O)[C@@H]1O |r|
CCCCN1CC[C@@H](O)[C@H](O)[C@@H]1CO |r|
OC[C@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
CCCCN1CC[C@H](O)[C@H](O)[C@H]1CO |r|
OC[C@@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
CCCCN1CC[C@H](O)[C@@H](O)[C@H]1CO |r|
OC[C@@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC[C@@H]1NCC[C@H](O)[C@H]1O |r|
CCCCN1CC[C@H](O)[C@@H](O)[C@@H]1CO |r|
OC[C@H]1[C@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC[C@@H]1NCC[C@H](O)[C@@H]1O |r|
CCCCN1CC[C@H](O)[C@H](O)[C@@H]1CO |r|
OC[C@H]1[C@@H](O)[C@@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
O[C@H]1CN(CCCCCOCC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,THB:10:11:14:18.16.17,16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
CCCCN1CC[C@@H](O)[C@@H](O)[C@H]1CO |r|
CCCCN1CC=C[C@H](O)[C@@H]1CO |r,c:6|
OC[C@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
OC[C@H]1NCCC[C@@H]1O |r|
CCCCN1CCC[C@H](O)[C@H]1CO |r|
OC[C@@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
OC[C@H]1NCCC[C@H]1O |r|
CCCCN1CCC[C@@H](O)[C@H]1CO |r|
OC[C@@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
C1C[C@H]([C@@H](NC1)CO)O
CCCCN1CCC[C@@H](O)[C@@H]1CO |r|
OC[C@H]1[C@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
OC[C@@H]1NCCC[C@@H]1O |r|
OC[C@H]1[C@@H](O)CCCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
CCCCN1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC[C@H]1NCC[C@@H](O)[C@H]1O |r|
OC[C@@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC[C@@H]1NCC[C@@H](O)[C@H]1O |r|
CCCCN1CC[C@@H](O)[C@@H](O)[C@@H]1CO |r|
OC[C@H]1[C@H](O)[C@H](O)CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,THB:16:17:20:24.22.23,22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
CCCCN1CCC[C@H](O)[C@@H]1CO |r|
OC[C@H]1NCC=C[C@@H]1O |r,c:5|
OC[C@H]1NCC[C@H](O)[C@H]1O |r|
CCCCN1CC=C[C@H](O)[C@H]1CO |r,c:6|
OC[C@@H]1[C@@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
OC[C@H]1NCC=C[C@H]1O |r,c:5|
CCCCN1CC=C[C@@H](O)[C@H]1CO |r,c:6|
OC[C@@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
C1C=C[C@H]([C@@H](N1)CO)O
CCCCN1CC=C[C@@H](O)[C@@H]1CO |r,c:6|
OC[C@H]1[C@H](O)C=CCN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,c:5,THB:15:16:19:23.21.22,21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
OC[C@@H]1NCC=C[C@@H]1O |r,c:5|
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4|
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4|
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4|
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4|
CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](COCc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
NC1CCCC(C1)NC(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
NC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
OC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
C[C@H]1CN(CCN1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
C[C@@H]1CN(CCN1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
Clc1ccc(C[C@H](NC(=O)C2(CC2)c2ccc(Cl)cc2Cl)C(=O)N2CCNCC2)c(Cl)c1 |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
COc1ccc(cc1)-n1nc(C(=O)N2CCN(C)CC(F)C2)c2COCCc12
COc1ccc(cc1)-n1nc(C(=O)N2CCCNCC2)c2COCCc12
COc1ccc(cc1)-n1nc(C(=O)N2CCNCC(CO)C2)c2COCCc12
COc1ccc(cc1)-n1nc(C(=O)N2CCCN(CC2)C(C)=O)c2COCCc12
CCN1CCCN(CC1)C(=O)c1nn(c2CCOCc12)-c1ccc(OC)cc1
COc1ccc(cc1)-n1nc(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(.23,-6.7,;1.26,-5.57,;.8,-4.08,;1.82,-2.95,;1.31,-1.46,;-.18,-1.15,;-1.21,-2.28,;-.74,-3.77,;-.64,.28,;.28,1.57,;-.64,2.8,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.31,;4.8,4.54,;3.46,4.18,;2.23,4.8,;1.72,6.08,;3.11,6.7,;4.49,6.03,;-2.13,2.34,;-3.46,3.11,;-4.8,2.34,;-4.8,.8,;-3.46,.03,;-2.13,.8,)|
COc1ccc(cc1)-n1nc(C(=O)NCc2cccc(F)c2F)c2COCCc12
COc1ccc(cc1)-n1nc(C(=O)N2CC(C2)c2cnc(C)n2C)c2COCCc12
Fc1ccc(cc1Cl)-n1nc(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;-.74,-4.34,;-1.21,-2.85,;-.18,-1.72,;1.31,-2.03,;1.82,-3.52,;3.31,-3.92,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.75,;4.8,3.98,;3.47,3.62,;2.23,4.24,;1.72,5.52,;3.11,6.13,;4.49,5.47,;-2.13,1.77,;-3.47,2.54,;-4.8,1.77,;-4.8,.23,;-3.47,-.54,;-2.13,.23,)|
CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)|
COc1ccc(cc1)-n1nc(C(=O)N2CCCN(C)CC2)c2COCCc12
COc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(2.68,-6.33,;1.19,-5.94,;.8,-4.45,;1.82,-3.32,;1.31,-1.83,;-.18,-1.52,;-1.21,-2.65,;-.74,-4.14,;-.64,-.08,;.28,1.2,;-.64,2.43,;-.18,3.87,;-1.26,5,;1.31,4.23,;2.28,3,;3.82,3,;4.8,4.18,;3.47,3.82,;2.23,4.43,;1.72,5.72,;3.11,6.33,;4.49,5.67,;-2.13,1.97,;-3.47,2.74,;-4.8,1.97,;-4.8,.43,;-3.47,-.34,;-2.13,.43,)|
Cl.FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(3.57,-1.5,;.59,-6.29,;-.5,-5.2,;-1.99,-5.6,;-.9,-6.69,;-.1,-3.71,;1.25,-3.18,;1.25,-1.61,;-.24,-1.21,;-1.06,-2.5,;-.64,.28,;.28,1.56,;-.64,2.79,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.36,;4.8,4.54,;3.46,4.18,;2.23,4.79,;1.72,6.08,;3.1,6.69,;4.49,6.02,;-2.13,2.33,;-3.46,3.1,;-4.8,2.33,;-4.8,.79,;-3.46,.02,;-2.13,.79,)|
COc1ccccc1-c1ccnc2C(=O)N(Cc12)c1ccccc1
COc1ccccc1-c1cccc2C(=O)N(Cc12)c1ccccc1
COc1ccccc1-c1nccc2C(=O)N(Cc12)c1ccccc1
COc1ccccc1-c1cncc2C(=O)N(Cc12)c1ccccc1
COc1ccccc1-c1ccc2C(=O)N(Cc2c1)c1ccccc1
COc1ccccc1-n1ncc2C(=O)N(Cc12)c1ccccc1
O=C1N(Cc2c1ccnc2-c1ccccc1)c1ccccc1
COc1cccc(c1)-c1nccc2C(=O)N(Cc12)c1ccccc1
COc1ccccc1-c1nccc2C(=O)N(Cc12)C1CCCCC1
COc1ccccc1-c1nccc2C(=O)N(Cc12)c1ccccc1C
COc1ccccc1-c1nccc2C(=O)N(Cc12)c1cccc(C)c1
COc1ccccc1-c1nccc2C(=O)N(Cc12)c1ccc(C)cc1
COc1ccccc1-c1nccc2C(=O)N(Cc12)c1ccc(F)cc1
COc1cc(F)ccc1-c1nccc2C(=O)N(Cc12)c1ccc(F)cc1
Fc1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OC(F)(F)F)C1=O
CN(C)C(=O)c1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OCC(F)(F)F)C1=O
CS(=O)(=O)c1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OCC(F)(F)F)C1=O
CC(C)(C#N)c1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OCC(F)(F)F)C1=O
CC(C)(O)c1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OCC(F)(F)F)C1=O
CC(C)(O)COc1ccc(cc1)N1Cc2c(ccnc2-c2ccc(F)cc2OCC(F)(F)F)C1=O
CC(C)(O)c1ccc(NC(=O)c2cccc(c2)-c2ccccc2OCC(F)(F)F)cc1
CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)(F)F)c2=O)cc1
CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccc(F)cc3OCC(F)(F)F)c2=O)cc1
CC(C)(O)c1ccc(NC(=O)c2cccc(n2)-c2ccccc2OCC(F)(F)F)cc1
CC(C)(O)c1ccc(NC(=O)c2cccc(c2F)-c2ccccc2OCC(F)(F)F)cc1
CC(C)(O)c1ccc(NC(=O)c2cccn(-c3ccccc3OCC(F)(F)F)c2=O)cc1
O[C@@H]1CC[C@@H](C1)NC(=O)c1cc2cccc(-c3cc(ccc3Cl)C#N)c2o1 |r|
CC(C)(O)c1ccc(cc1)N1Cc2c(ccnc2-c2ccccc2OCC(F)F)C1=O
Cc1cc2C(=O)N(Cc2c(n1)-c1ccccc1OCC(F)F)c1ccc(cc1)C(C)(C)O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C(F)F)C1=O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C(C)(C)F)C1=O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C2CCCCC2)C1=O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C(C)(C)O)C1=O
CN(C)C(=O)c1cc2C(=O)N(Cc2c(n1)-c1ccccc1OCC(F)F)c1ccc(cc1)C(C)(C)O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C2CCOCC2)C1=O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C2CCCOC2)C1=O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C2(C)COC2)C1=O
CC(C)(O)c1ccc(cc1)N1Cc2c(ccnc2-c2ccccc2OCC(F)(F)F)C1=O
Cc1cc2C(=O)N(Cc2c(n1)-c1ccccc1OCC(F)(F)F)c1ccc(cc1)C(C)(C)O
CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)(F)F)C2(C)COC2)C1=O
OC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:25:20:27:24.23.26,25:24:27:21.20.19,17:18:21.20.25:23,THB:19:18:21.20.25:23,19:20:23:18.27.26|
Cc1nnc(o1)-c1ccc(cc1)-c1c2C(=O)N(Cc2ccc1F)[C@H](C1CC1)C(C)(C)O |r|
Cc1nnc(o1)-c1ccc(cc1)-c1ccc(F)c2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
Cc1nnc(o1)-c1ccc(cc1)-c1c2C(=O)N(Cc2cc(F)c1F)[C@H](C1CC1)C(C)(C)O |r|
Cc1nnc(o1)-c1ccc(cc1)-c1c2C(=O)N(Cc2c(F)cc1F)[C@H](C1CC1)C(C)(C)O |r|
Cc1nnc(o1)-c1ccc(cc1)-c1cc(F)c(F)c2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
Cc1nnc(o1)-c1ccc(cc1)-c1cccc2CN([C@@H](C(C)(C)O)C(F)(F)F)C(=O)c12 |r|
Cc1nnc(o1)-c1ccc(cc1)-c1c2C(=O)N(Cc2ccc1F)[C@@H](C(C)(C)O)C(F)(F)F |r|
Cc1nnc(o1)-c1ccc(cc1)-c1cc(F)cc2CN([C@@H](C(C)(C)O)C(F)(F)F)C(=O)c12 |r|
Cc1nnc(o1)-c1ccc(cc1)-c1ccc(F)c2CN([C@@H](C(C)(C)O)C(F)(F)F)C(=O)c12 |r|
Cc1nnc(o1)-c1ccc(cc1)-c1c2C(=O)N(Cc2cc(F)c1F)[C@@H](C(C)(C)O)C(F)(F)F |r|
Cc1nnc(o1)-c1ccc(cc1)-c1c2C(=O)N(Cc2c(F)cc1F)[C@@H](C(C)(C)O)C(F)(F)F |r|
Cc1nnc(o1)-c1ccc(cc1)-c1cc(F)c(F)c2CN([C@@H](C(C)(C)O)C(F)(F)F)C(=O)c12 |r|
CN1Cc2cc(ccc2C1=O)-c1cccc2CN([C@H](C3CC3)C(C)(C)O)C(=O)c12 |r|
CN1Cc2cc(ccc2C1=O)-c1cccc2CN([C@@H](C(C)(C)O)C(F)(F)F)C(=O)c12 |r|
CN1Cc2cc(ccc2C1=O)-c1c2C(=O)N(Cc2ccc1F)[C@@H](C(C)(C)O)C(F)(F)F |r|
CN1Cc2cc(ccc2C1=O)-c1cc(F)cc2CN([C@@H](C(C)(C)O)C(F)(F)F)C(=O)c12 |r|
CN1Cc2cc(ccc2C1=O)-c1c2C(=O)N(Cc2cc(F)c1F)[C@@H](C(C)(C)O)C(F)(F)F |r|
CCOc1ccccc1C(=O)Nc1cccc2CN(CC3CC3)C(=O)c12
COc1ccc(cc1F)-n1nc(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(-.29,-6.26,;-1.62,-5.49,;-1.62,-3.95,;-.3,-3.18,;-.3,-1.64,;-1.63,-.87,;-2.96,-1.64,;-2.96,-3.19,;-4.29,-3.96,;-1.63,.67,;-.38,1.58,;-.86,3.04,;-.09,4.38,;-.86,5.71,;1.45,4.38,;2.02,5.81,;3.5,6.26,;4.77,5.4,;4.89,3.85,;3.76,2.8,;2.23,3.03,;2.53,4.37,;3.82,4.28,;-2.4,3.04,;-3.64,3.95,;-4.89,3.04,;-4.41,1.58,;-2.87,1.58,)|
COc1ccc(cc1Cl)-n1nc(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(-.29,-6.26,;-1.62,-5.49,;-1.62,-3.95,;-.3,-3.18,;-.3,-1.64,;-1.63,-.87,;-2.96,-1.64,;-2.96,-3.19,;-4.29,-3.96,;-1.63,.67,;-.38,1.58,;-.86,3.04,;-.09,4.38,;-.86,5.71,;1.45,4.38,;2.02,5.81,;3.5,6.26,;4.77,5.4,;4.89,3.85,;3.76,2.8,;2.23,3.03,;2.53,4.37,;3.82,4.28,;-2.4,3.04,;-3.64,3.95,;-4.89,3.04,;-4.41,1.58,;-2.87,1.58,)|
COc1ccc(cc1C)-n1nc(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(-.29,-6.26,;-1.62,-5.49,;-1.62,-3.95,;-.3,-3.18,;-.3,-1.64,;-1.63,-.87,;-2.96,-1.64,;-2.96,-3.19,;-4.29,-3.96,;-1.63,.67,;-.38,1.58,;-.86,3.04,;-.09,4.38,;-.86,5.71,;1.45,4.38,;2.02,5.81,;3.5,6.26,;4.77,5.4,;4.89,3.85,;3.76,2.8,;2.23,3.03,;2.53,4.37,;3.82,4.28,;-2.4,3.04,;-3.64,3.95,;-4.89,3.04,;-4.41,1.58,;-2.87,1.58,)|
COc1ccc(cc1C(F)(F)F)-n1nc(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(.08,-6.26,;-1.25,-5.49,;-1.25,-3.95,;.07,-3.18,;.07,-1.64,;-1.26,-.87,;-2.59,-1.64,;-2.59,-3.19,;-3.92,-3.96,;-3.92,-5.5,;-5.26,-3.19,;-5.26,-4.73,;-1.26,.67,;-.01,1.58,;-.49,3.04,;.28,4.38,;-.49,5.71,;1.82,4.38,;2.39,5.81,;3.87,6.26,;5.14,5.4,;5.26,3.85,;4.13,2.8,;2.6,3.03,;2.9,4.37,;4.19,4.28,;-2.03,3.04,;-3.27,3.95,;-4.52,3.04,;-4.04,1.58,;-2.5,1.58,)|
Clc1ccc(cc1Cl)-n1nc(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(-1.62,-5.87,;-1.62,-4.33,;-.3,-3.56,;-.3,-2.02,;-1.63,-1.25,;-2.96,-2.02,;-2.96,-3.57,;-4.29,-4.34,;-1.63,.29,;-.38,1.19,;-.86,2.66,;-.09,3.99,;-.86,5.32,;1.45,3.99,;2.02,5.42,;3.5,5.87,;4.77,5.01,;4.89,3.46,;3.76,2.42,;2.23,2.64,;2.53,3.99,;3.82,3.89,;-2.4,2.66,;-3.64,3.56,;-4.89,2.66,;-4.41,1.19,;-2.87,1.19,)|
Cc1ccc(cc1Cl)-n1nc(C(=O)N2CCN3CCC2CC3)c2CCCc12 |(-1.62,-5.87,;-1.62,-4.33,;-.3,-3.56,;-.3,-2.02,;-1.63,-1.25,;-2.96,-2.02,;-2.96,-3.57,;-4.29,-4.34,;-1.63,.29,;-.38,1.19,;-.86,2.66,;-.09,3.99,;-.86,5.32,;1.45,3.99,;2.02,5.42,;3.5,5.87,;4.77,5.01,;4.89,3.46,;3.76,2.42,;2.23,2.64,;2.53,3.99,;3.82,3.89,;-2.4,2.66,;-3.64,3.56,;-4.89,2.66,;-4.41,1.19,;-2.87,1.19,)|