160 SMILES Strings for N-acetylglucosamine-1-phosphotransferase subunits alpha/beta

Compound Name
SMILES String
CC(C)(C)OC(=O)N1CCC(C1)c1nc2ccccc2n1CCC(=O)NC1C[C@H]2CC[C@]1(C)C2(C)C |r,TLB:25:26:29.30:33|
CC(C)(C)OC(=O)NCC1CCC(CC1)c1nc2ccccc2n1CCC(=O)NC1C[C@H]2CC[C@]1(C)C2(C)C |r,wU:31.33,34.38,TLB:28:29:36:33.32,(-7.91,.07,;-7.14,-1.26,;-7.91,-2.6,;-8.68,-1.26,;-5.6,-1.26,;-4.83,-2.6,;-5.6,-3.93,;-3.29,-2.6,;-2.52,-3.93,;-.98,-3.93,;-.21,-2.6,;1.33,-2.6,;2.1,-3.93,;1.33,-5.26,;-.21,-5.26,;3.64,-3.93,;4.55,-5.18,;6.01,-4.7,;7.34,-5.47,;8.68,-4.7,;8.68,-3.16,;7.34,-2.39,;6.01,-3.16,;4.55,-2.68,;3.78,-1.35,;2.24,-1.35,;1.47,-.02,;2.24,1.32,;-.07,-.02,;-.84,1.32,;-.07,2.65,;-1.56,3.05,;-3.05,2.65,;-3.82,1.32,;-2.33,1.72,;-2.33,.18,;-2.33,4.38,;-3.66,5.15,;-1.24,5.47,)|
CC(C)(C)[C@@H]1CC[C@@H](CC1)c1nc2ccccc2n1CCC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,wU:4.3,7.10,26.29,24.26,29.33,TLB:23:24:28.27:31,(-5.6,-6.32,;-4.83,-4.98,;-5.6,-3.65,;-6.37,-4.98,;-3.29,-4.98,;-2.52,-6.32,;-.98,-6.32,;-.21,-4.98,;-.98,-3.65,;-2.52,-3.65,;1.33,-4.98,;2.24,-6.23,;3.7,-5.75,;5.03,-6.52,;6.37,-5.75,;6.37,-4.21,;5.03,-3.44,;3.7,-4.21,;2.24,-3.74,;1.47,-2.4,;2.24,-1.07,;1.47,.27,;-.02,.66,;2.56,1.35,;1.79,2.69,;2.56,4.02,;1.07,4.42,;-.42,4.02,;-1.19,2.69,;.3,3.09,;-.1,1.6,;.3,5.75,;-1.04,6.52,;1.63,6.52,)|
CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CC(C)c1nc(C)c(CNC(=O)N2[C@@H](C)[C@H](OC2=O)c2cc(F)cc(c2)C(F)(F)F)s1 |r|
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)CCn1c(nc2ccccc12)C1CCCCC1 |r,TLB:10:8:4.5:1|
CC1CCN(CC1)C(=O)CCn1c(nc2ccccc12)C1CCCCC1
CC1N=C(C)C(CNC(=O)N2[C@@H](C)[C@H](OC2=O)c2cc(F)cc(c2)C(F)(F)F)=C1C |r,c:29,t:2|
CCC1CCN(Cc2nc3cc(C)ccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
CCC1CCN(Cc2nc3ccccc3n2CCC(=O)N(CC)C2CCCCC2)CC1
CCCCOC(=O)N1CCCC(C1)c1nc2ccccc2n1CCC(=O)N(CC)C1CCCCC1
CCCOC(=O)N1CC(CCC1C)c1nc2ccccc2n1CCC(=O)N(CC)C1CCCCC1
CCCOC(=O)N1CCCC(C1)c1nc2ccccc2n1CCC(=O)N(CC)C1CCCCC1
CCN(C1CCCCC1)C(=O)CCn1c(CN2CCC(CC2)C(C)(C)C)nc2ccccc12
CCN(C1CCCCC1)C(=O)CCn1c(nc2c(cccc12)C(F)F)[C@H]1CC[C@H](C)CC1 |r,wU:28.31,wD:25.27,(4.73,1.01,;4.33,2.49,;2.85,2.89,;2.45,4.38,;.96,4.78,;.56,6.27,;1.65,7.36,;3.14,6.96,;3.54,5.47,;1.76,1.8,;.27,2.2,;2.16,.32,;1.07,-.77,;1.47,-2.26,;.56,-3.51,;1.47,-4.75,;2.93,-4.28,;4.26,-5.05,;5.6,-4.28,;5.6,-2.74,;4.26,-1.97,;2.93,-2.74,;4.26,-6.59,;2.93,-7.36,;2.93,-5.82,;-.98,-3.51,;-1.75,-2.17,;-3.29,-2.17,;-4.06,-3.51,;-5.6,-3.51,;-3.29,-4.84,;-1.75,-4.84,)|
CCN(C1CCCCC1)C(=O)CCn1c(nc2cc(F)ccc12)C1CCCN(C1)C(=O)OC(C)(C)C
CCN(C1CCCCC1)C(=O)CCn1c(nc2cc(F)ccc12)C1CCN(C1)C(=O)OC(C)(C)C
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)-c1ccc(OCC(F)(F)F)cc1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)-c1ccc(cc1)-n1ccnn1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)-c1ccc(cc1)C(=O)OC
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCC(C)N(C1)c1cccc(OC)n1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCC(C)N(C1)c1nccc(OC)n1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCCC1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCN(C1)C(=O)OC(C)(C)C
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCN(C1)C(=O)OC(C)C
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCN(C1)c1cccc(OC)n1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCN(C1)c1ccccn1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCN(C1)c1nc(CC)ns1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCN(C1)c1nccc(C)n1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCN(C1)c1nccc(OC)n1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)N1CCC(C)CC1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)N1CCC(CC1)C(C)(C)C
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)N1CCC(CC1)C(F)F
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)N1CCC(F)(F)CC1
CCN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)N1CCC[C@@H](C1)NC(=O)OC(C)(C)C |r|
CCOC(=O)N1CCCC(C1)c1nc2cc(F)ccc2n1CCC(=O)N(CC)C1CCCCC1
CCOC(=O)N1CCCC(C1)c1nc2ccc(F)cc2n1CCC(=O)N(CC)C1CCCCC1
CCOc1cc(nc(c1)C(F)(F)F)[C@H]1OC(=O)N([C@H]1C)C(=O)NCc1cccc2cncnc12 |r|
CCOc1ccc(cn1)-c1nc2ccccc2n1CCC(=O)N(CC)C1CCCCC1
CCOc1ccccc1CNC(=O)N1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F |r|
CC[C@H]1CC[C@@H](CC1)c1nc2c(C[C@H]3CCOC3)cccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,13.13,(7.17,3.14,;6.4,1.81,;4.86,1.81,;4.09,3.14,;2.55,3.14,;1.78,1.81,;2.55,.47,;4.09,.47,;.24,1.81,;-.67,3.05,;-2.13,2.58,;-3.47,3.35,;-3.47,4.89,;-4.8,5.66,;-4.8,7.2,;-6.26,7.67,;-7.17,6.43,;-6.26,5.18,;-4.8,2.58,;-4.8,1.04,;-3.47,.27,;-2.13,1.04,;-.67,.56,;-.27,-.93,;1.22,-1.32,;1.62,-2.81,;.53,-3.9,;3.11,-3.21,;4.19,-2.12,;3.8,-.63,;3.5,-4.7,;2.42,-5.79,;2.81,-7.27,;4.3,-7.67,;5.39,-6.58,;4.99,-5.1,)|
CC[C@H]1CC[C@@H](CC1)c1nc2c(F)cccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,(-5.98,-2.56,;-5.21,-3.89,;-3.67,-3.89,;-2.9,-5.22,;-1.36,-5.22,;-.59,-3.89,;-1.36,-2.56,;-2.9,-2.56,;.95,-3.89,;1.85,-5.14,;3.32,-4.66,;4.65,-5.43,;4.65,-6.97,;5.98,-4.66,;5.98,-3.12,;4.65,-2.35,;3.32,-3.12,;1.85,-2.64,;1.45,-1.16,;2.54,-.07,;2.14,1.42,;.66,1.82,;3.23,2.51,;4.72,2.11,;5.81,3.2,;2.83,4,;1.35,4.39,;.95,5.88,;2.04,6.97,;3.52,6.57,;3.92,5.08,)|
CC[C@H]1CC[C@@H](CC1)c1nc2c(cccc2n1CCC(=O)N(CC)C1CCCCC1)N1CCOCC1 |r,wU:2.1,wD:5.8,(-5.98,-2.99,;-5.21,-1.66,;-3.67,-1.66,;-2.9,-.33,;-1.36,-.33,;-.59,-1.66,;-1.36,-2.99,;-2.9,-2.99,;.95,-1.66,;1.85,-2.91,;3.32,-2.43,;4.65,-3.2,;5.98,-2.43,;5.98,-.89,;4.65,-.12,;3.32,-.89,;1.85,-.41,;1.45,1.07,;-.03,1.47,;-.43,2.96,;.66,4.05,;-1.92,3.36,;-3.01,2.27,;-4.5,2.67,;-2.32,4.85,;-1.23,5.93,;-1.63,7.42,;-3.12,7.82,;-4.21,6.73,;-3.81,5.24,;4.65,-4.74,;3.32,-5.51,;3.32,-7.05,;4.65,-7.82,;5.98,-7.05,;5.98,-5.51,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cc(Br)ccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-6.65,-5.3,;-5.88,-3.97,;-4.34,-3.97,;-3.57,-2.64,;-2.03,-2.64,;-1.26,-3.97,;-2.03,-5.3,;-3.57,-5.3,;.28,-3.97,;1.18,-5.22,;2.65,-4.74,;3.98,-5.51,;5.32,-4.74,;6.65,-5.51,;5.32,-3.2,;3.98,-2.43,;2.65,-3.2,;1.18,-2.72,;.79,-1.24,;-.7,-.84,;-1.1,.65,;-.01,1.74,;-2.59,1.05,;-3.68,-.04,;-5.16,.36,;-2.99,2.54,;-1.9,3.62,;-2.3,5.11,;-3.78,5.51,;-4.87,4.42,;-4.47,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cc(CO)ccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,(-7.32,-5.1,;-6.55,-3.76,;-5.01,-3.76,;-4.24,-5.1,;-2.7,-5.1,;-1.93,-3.76,;-2.7,-2.43,;-4.24,-2.43,;-.39,-3.76,;.52,-5.01,;1.98,-4.53,;3.32,-5.3,;4.65,-4.53,;5.98,-5.3,;7.32,-4.53,;4.65,-2.99,;3.32,-2.22,;1.98,-2.99,;.52,-2.52,;-.25,-1.18,;.52,.15,;-.25,1.49,;-1.74,1.88,;.86,2.66,;.27,4.08,;1.21,5.3,;2.35,2.26,;2.75,.77,;4.23,.37,;5.32,1.46,;4.92,2.95,;3.44,3.35,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cc(F)ccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,(-6.65,-3.33,;-5.88,-4.66,;-4.34,-4.66,;-3.57,-5.99,;-2.03,-5.99,;-1.26,-4.66,;-2.03,-3.33,;-3.57,-3.33,;.28,-4.66,;1.18,-5.91,;2.65,-5.43,;3.98,-6.2,;5.32,-5.43,;6.65,-6.2,;5.32,-3.89,;3.98,-3.12,;2.65,-3.89,;1.18,-3.41,;.79,-1.93,;1.88,-.84,;1.48,.65,;-.01,1.05,;2.57,1.74,;4.05,1.34,;5.14,2.43,;2.17,3.23,;.68,3.62,;.28,5.11,;1.37,6.2,;2.86,5.8,;3.26,4.31,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cc(OC)ccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-7.32,-5.3,;-6.55,-3.97,;-5.01,-3.97,;-4.24,-2.64,;-2.7,-2.64,;-1.93,-3.97,;-2.7,-5.3,;-4.24,-5.3,;-.39,-3.97,;.52,-5.22,;1.98,-4.74,;3.32,-5.51,;4.65,-4.74,;5.98,-5.51,;7.32,-4.74,;4.65,-3.2,;3.32,-2.43,;1.98,-3.2,;.52,-2.72,;.12,-1.24,;-1.37,-.84,;-1.77,.65,;-.68,1.74,;-3.25,1.05,;-4.34,-.04,;-5.83,.36,;-3.65,2.54,;-2.56,3.62,;-2.96,5.11,;-4.45,5.51,;-5.54,4.42,;-5.14,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cc(ccc2n1CCC(=O)N(CC)C1CCCCC1)C#N |r,wU:2.1,wD:5.8,(-7.37,-3.97,;-6.28,-5.06,;-4.8,-4.66,;-4.4,-3.18,;-2.91,-2.78,;-1.82,-3.87,;-2.22,-5.36,;-3.71,-5.75,;-.33,-3.47,;.57,-4.71,;2.04,-4.24,;3.37,-5.01,;4.7,-4.24,;4.7,-2.7,;3.37,-1.93,;2.04,-2.7,;.57,-2.22,;-.2,-.89,;.57,.44,;-.2,1.78,;-1.74,1.78,;.57,3.11,;-.2,4.45,;.57,5.78,;2.11,3.11,;2.88,1.78,;4.42,1.78,;5.19,3.11,;4.42,4.45,;2.88,4.45,;6.04,-5.01,;7.37,-5.78,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cc(ccc2n1CCC(=O)N(CC)C1CCCCC1)C(F)(F)F |r,wU:5.8,wD:2.1,(-7.32,-5.14,;-6.55,-3.81,;-5.01,-3.81,;-4.24,-5.14,;-2.7,-5.14,;-1.93,-3.81,;-2.7,-2.47,;-4.24,-2.47,;-.39,-3.81,;.52,-5.05,;1.98,-4.58,;3.32,-5.35,;4.65,-4.58,;4.65,-3.04,;3.32,-2.27,;1.98,-3.04,;.52,-2.56,;.52,-1.02,;1.85,-.25,;1.85,1.29,;.52,2.06,;3.19,2.06,;4.52,1.29,;5.85,2.06,;3.19,3.6,;1.85,4.37,;1.85,5.91,;3.19,6.68,;4.52,5.91,;4.52,4.37,;5.98,-5.35,;7.32,-6.12,;6.75,-4.01,;5.21,-6.68,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cc(ccc2n1CCC(=O)N(CC)C1CCCCC1)C1CC1 |r,wU:2.1,wD:5.8,(-7.42,-5.33,;-6.65,-3.99,;-5.11,-3.99,;-4.34,-2.66,;-2.8,-2.66,;-2.03,-3.99,;-2.8,-5.33,;-4.34,-5.33,;-.49,-3.99,;.41,-5.24,;1.88,-4.76,;3.21,-5.53,;4.55,-4.76,;4.55,-3.22,;3.21,-2.45,;1.88,-3.22,;.41,-2.75,;.02,-1.26,;1.11,-.17,;.71,1.32,;-.78,1.71,;1.8,2.41,;3.28,2.01,;4.37,3.1,;1.4,3.89,;-.09,4.29,;-.49,5.78,;.6,6.87,;2.09,6.47,;2.49,4.98,;5.88,-5.53,;6.65,-6.87,;7.42,-5.53,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(Br)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-6.65,-5.3,;-5.88,-3.97,;-4.34,-3.97,;-3.57,-2.64,;-2.03,-2.64,;-1.26,-3.97,;-2.03,-5.3,;-3.57,-5.3,;.28,-3.97,;1.18,-5.22,;2.65,-4.74,;3.98,-5.51,;5.32,-4.74,;5.32,-3.2,;6.65,-2.43,;3.98,-2.43,;2.65,-3.2,;1.18,-2.72,;.79,-1.24,;-.7,-.84,;-1.1,.65,;-.01,1.74,;-2.59,1.05,;-3.68,-.04,;-5.16,.36,;-2.99,2.54,;-1.9,3.62,;-2.3,5.11,;-3.78,5.51,;-4.87,4.42,;-4.47,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(CN)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,(7.32,5.3,;6.55,3.97,;5.01,3.97,;4.24,5.3,;2.7,5.3,;1.93,3.97,;2.7,2.64,;4.24,2.64,;.39,3.97,;-.52,5.22,;-1.98,4.74,;-3.32,5.51,;-4.65,4.74,;-4.65,3.2,;-5.98,2.43,;-7.32,3.2,;-3.32,2.43,;-1.98,3.2,;-.52,2.72,;-.12,1.24,;1.37,.84,;1.77,-.65,;.68,-1.74,;3.25,-1.05,;4.34,.04,;3.94,1.53,;3.65,-2.54,;2.56,-3.62,;2.96,-5.11,;4.45,-5.51,;5.54,-4.42,;5.14,-2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(CN3CC(F)(F)C3)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,(7.19,5.3,;6.42,3.97,;4.88,3.97,;4.11,5.3,;2.57,5.3,;1.8,3.97,;2.57,2.64,;4.11,2.64,;.26,3.97,;-.64,5.22,;-2.1,4.74,;-3.44,5.51,;-4.77,4.74,;-4.77,3.2,;-6.11,2.43,;-6.11,.89,;-7.19,-.2,;-6.11,-1.29,;-7.19,-2.38,;-5.02,-2.38,;-5.02,-.2,;-3.44,2.43,;-2.1,3.2,;-.64,2.72,;-.24,1.24,;1.25,.84,;1.64,-.65,;.56,-1.74,;3.13,-1.05,;4.22,.04,;3.82,1.53,;3.53,-2.54,;2.44,-3.62,;2.84,-5.11,;4.33,-5.51,;5.42,-4.42,;5.02,-2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(CN3CCN(CC(F)(F)F)CC3)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,(7.98,5.47,;7.21,4.13,;5.67,4.13,;4.9,5.47,;3.36,5.47,;2.59,4.13,;3.36,2.8,;4.9,2.8,;1.05,4.13,;.15,5.38,;-1.32,4.9,;-2.65,5.67,;-3.98,4.9,;-3.98,3.36,;-5.32,2.59,;-5.32,1.05,;-6.65,.28,;-6.65,-1.26,;-5.32,-2.03,;-5.32,-3.57,;-6.65,-4.34,;-7.98,-5.11,;-7.42,-3,;-5.88,-5.67,;-3.98,-1.26,;-3.98,.28,;-2.65,2.59,;-1.32,3.36,;.15,2.89,;.55,1.4,;2.04,1,;2.43,-.49,;1.34,-1.58,;3.92,-.89,;5.01,.2,;4.61,1.69,;4.32,-2.37,;3.23,-3.46,;3.63,-4.95,;5.12,-5.35,;6.21,-4.26,;5.81,-2.77,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(CO)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-7.32,-5.3,;-6.55,-3.97,;-5.01,-3.97,;-4.24,-2.64,;-2.7,-2.64,;-1.93,-3.97,;-2.7,-5.3,;-4.24,-5.3,;-.39,-3.97,;.52,-5.22,;1.98,-4.74,;3.32,-5.51,;4.65,-4.74,;4.65,-3.2,;5.98,-2.43,;7.32,-3.2,;3.32,-2.43,;1.98,-3.2,;.52,-2.72,;.12,-1.24,;-1.37,-.84,;-1.77,.65,;-.68,1.74,;-3.25,1.05,;-4.34,-.04,;-5.83,.36,;-3.65,2.54,;-2.56,3.62,;-2.96,5.11,;-4.45,5.51,;-5.54,4.42,;-5.14,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(C[C@H]3CCOC3)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,15.15,(8.5,5.3,;7.73,3.97,;6.19,3.97,;5.42,5.3,;3.88,5.3,;3.11,3.97,;3.88,2.64,;5.42,2.64,;1.57,3.97,;.67,5.22,;-.8,4.74,;-2.13,5.51,;-3.47,4.74,;-3.47,3.2,;-4.8,2.43,;-6.13,3.2,;-6.13,4.74,;-7.6,5.22,;-8.5,3.97,;-7.6,2.72,;-2.13,2.43,;-.8,3.2,;.67,2.72,;1.07,1.24,;2.55,.84,;2.95,-.65,;1.86,-1.74,;4.44,-1.05,;5.53,.04,;5.13,1.53,;4.84,-2.54,;3.75,-3.62,;4.15,-5.11,;5.63,-5.51,;6.72,-4.42,;6.33,-2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(F)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-6.65,-5.3,;-5.88,-3.97,;-4.34,-3.97,;-3.57,-2.64,;-2.03,-2.64,;-1.26,-3.97,;-2.03,-5.3,;-3.57,-5.3,;.28,-3.97,;1.18,-5.22,;2.65,-4.74,;3.98,-5.51,;5.32,-4.74,;5.32,-3.2,;6.65,-2.43,;3.98,-2.43,;2.65,-3.2,;1.18,-2.72,;.79,-1.24,;-.7,-.84,;-1.1,.65,;-.01,1.74,;-2.59,1.05,;-3.68,-.04,;-5.16,.36,;-2.99,2.54,;-1.9,3.62,;-2.3,5.11,;-3.78,5.51,;-4.87,4.42,;-4.47,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(cc2n1CCC(=O)N(CC)C1CCCCC1)-c1ccccc1 |r,wU:2.1,wD:5.8,(-7.98,-5.3,;-7.21,-3.97,;-5.67,-3.97,;-4.9,-2.64,;-3.36,-2.64,;-2.59,-3.97,;-3.36,-5.3,;-4.9,-5.3,;-1.05,-3.97,;-.15,-5.22,;1.32,-4.74,;2.65,-5.51,;3.98,-4.74,;3.98,-3.2,;2.65,-2.43,;1.32,-3.2,;-.15,-2.72,;-.55,-1.24,;-2.04,-.84,;-2.43,.65,;-1.34,1.74,;-3.92,1.05,;-5.01,-.04,;-6.5,.36,;-4.32,2.54,;-3.23,3.62,;-3.63,5.11,;-5.12,5.51,;-6.21,4.42,;-5.81,2.93,;5.32,-2.43,;6.65,-3.2,;7.98,-2.43,;7.98,-.89,;6.65,-.12,;5.32,-.89,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(cc2n1CCC(=O)N(CC)C1CCCCC1)-c1cnn(C)c1 |r,wU:2.1,wD:5.8,(-8.61,-5.3,;-7.84,-3.97,;-6.3,-3.97,;-5.53,-2.64,;-3.99,-2.64,;-3.22,-3.97,;-3.99,-5.3,;-5.53,-5.3,;-1.68,-3.97,;-.77,-5.22,;.69,-4.74,;2.03,-5.51,;3.36,-4.74,;3.36,-3.2,;2.03,-2.43,;.69,-3.2,;-.77,-2.72,;-1.17,-1.24,;-2.66,-.84,;-3.05,.65,;-1.97,1.74,;-4.54,1.05,;-5.63,-.04,;-7.12,.36,;-4.94,2.54,;-3.85,3.62,;-4.25,5.11,;-5.74,5.51,;-6.83,4.42,;-6.43,2.93,;4.7,-2.43,;4.7,-.89,;6.16,-.41,;7.07,-1.66,;8.61,-1.66,;6.16,-2.91,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(cc2n1CCC(=O)N(CC)C1CCCCC1)C#N |r,wU:2.1,wD:5.8,(-7.37,-3.99,;-6.28,-5.08,;-4.8,-4.68,;-4.4,-3.19,;-2.91,-2.79,;-1.82,-3.88,;-2.22,-5.37,;-3.71,-5.77,;-.33,-3.48,;.57,-4.73,;2.04,-4.25,;3.37,-5.02,;4.7,-4.25,;4.7,-2.71,;3.37,-1.94,;2.04,-2.71,;.57,-2.24,;-.2,-.9,;.57,.43,;-.2,1.77,;-1.74,1.77,;.57,3.1,;-.2,4.43,;.57,5.77,;2.11,3.1,;2.88,1.77,;4.42,1.77,;5.19,3.1,;4.42,4.43,;2.88,4.43,;6.04,-1.94,;7.37,-1.17,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cccc(F)c2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:5.8,wD:2.1,(-5.98,-5.81,;-5.21,-4.47,;-3.67,-4.47,;-2.9,-5.81,;-1.36,-5.81,;-.59,-4.47,;-1.36,-3.14,;-2.9,-3.14,;.95,-4.47,;1.85,-5.72,;3.32,-5.24,;4.65,-6.01,;5.98,-5.24,;5.98,-3.7,;4.65,-2.93,;4.65,-1.39,;3.32,-3.7,;1.85,-3.23,;1.85,-1.69,;.52,-.92,;.52,.62,;-.82,1.39,;1.85,1.39,;3.19,.62,;4.52,1.39,;1.85,2.93,;.52,3.7,;.52,5.24,;1.85,6.01,;3.19,5.24,;3.19,3.7,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cccnc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-5.98,-5.3,;-5.21,-3.97,;-3.67,-3.97,;-2.9,-2.64,;-1.36,-2.64,;-.59,-3.97,;-1.36,-5.3,;-2.9,-5.3,;.95,-3.97,;1.85,-5.22,;3.32,-4.74,;4.65,-5.51,;5.98,-4.74,;5.98,-3.2,;4.65,-2.43,;3.32,-3.2,;1.85,-2.72,;1.45,-1.24,;-.03,-.84,;-.43,.65,;.66,1.74,;-1.92,1.05,;-3.01,-.04,;-4.5,.36,;-2.32,2.54,;-1.23,3.62,;-1.63,5.11,;-3.12,5.51,;-4.21,4.42,;-3.81,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ccncc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-5.98,-5.3,;-5.21,-3.97,;-3.67,-3.97,;-2.9,-2.64,;-1.36,-2.64,;-.59,-3.97,;-1.36,-5.3,;-2.9,-5.3,;.95,-3.97,;1.85,-5.22,;3.32,-4.74,;4.65,-5.51,;5.98,-4.74,;5.98,-3.2,;4.65,-2.43,;3.32,-3.2,;1.85,-2.72,;1.45,-1.24,;-.03,-.84,;-.43,.65,;.66,1.74,;-1.92,1.05,;-3.01,-.04,;-4.5,.36,;-2.32,2.54,;-1.23,3.62,;-1.63,5.11,;-3.12,5.51,;-4.21,4.42,;-3.81,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2cnccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-5.98,-5.3,;-5.21,-3.97,;-3.67,-3.97,;-2.9,-2.64,;-1.36,-2.64,;-.59,-3.97,;-1.36,-5.3,;-2.9,-5.3,;.95,-3.97,;1.85,-5.22,;3.32,-4.74,;4.65,-5.51,;5.98,-4.74,;5.98,-3.2,;4.65,-2.43,;3.32,-3.2,;1.85,-2.72,;1.45,-1.24,;-.03,-.84,;-.43,.65,;.66,1.74,;-1.92,1.05,;-3.01,-.04,;-4.5,.36,;-2.32,2.54,;-1.23,3.62,;-1.63,5.11,;-3.12,5.51,;-4.21,4.42,;-3.81,2.93,)|
CC[C@H]1CC[C@@H](CC1)c1nc2ncccc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-5.98,-5.3,;-5.21,-3.97,;-3.67,-3.97,;-2.9,-2.64,;-1.36,-2.64,;-.59,-3.97,;-1.36,-5.3,;-2.9,-5.3,;.95,-3.97,;1.85,-5.22,;3.32,-4.74,;4.65,-5.51,;5.98,-4.74,;5.98,-3.2,;4.65,-2.43,;3.32,-3.2,;1.85,-2.72,;1.45,-1.24,;-.03,-.84,;-.43,.65,;.66,1.74,;-1.92,1.05,;-3.01,-.04,;-4.5,.36,;-2.32,2.54,;-1.23,3.62,;-1.63,5.11,;-3.12,5.51,;-4.21,4.42,;-3.81,2.93,)|
CC[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CN(C1CCCCC1)C(=O)CCn1c(nc2ccccc12)C1CCCCC1
COc1cc(cc(c1)C(F)(F)F)[C@H]1OC(=O)N(C[C@H]1C)C(=O)NCc1cncc2cccnc12 |r|
COc1cc(cc(c1)C(F)(F)F)[C@H]1OC(=O)N([C@H]1CO)C(=O)NCc1cccc2cncnc12 |r|
COc1cc(cc(c1)C(F)(F)F)[C@H]1OC(=O)N([C@H]1CO)C(=O)NCc1cccc2nccnc12 |r|
COc1cc(cc(c1)C(F)(F)F)[C@H]1OC(=O)N([C@H]1CO)C(=O)NCc1cncc2ccccc12 |r|
COc1cc(cc(c1)C(F)(F)F)[C@H]1OC(=O)N([C@H]1CO)C(=O)NCc1cncc2cccnc12 |r|
COc1cc(cc(n1)[C@H]1OC(=O)N([C@H]1CO)C(=O)NCc1cncc2cccnc12)C(F)(F)F |r|
COc1cc(cc(n1)[C@H]1OC(=O)N([C@H]1CO[Si](C)(C)C(C)(C)C)C(=O)NCc1cncc2ccccc12)C(F)(F)F |r|
COc1cc(nc(n1)[C@@H]1OC(=O)N([C@H]1C)C(=O)NCc1cncc2ccccc12)C(F)(F)F |r|
COc1cccc(c1)[C@H]1OC(=O)N([C@H]1C)C(=O)CCc1cncc2ccccc12 |r|
COc1cccc(n1)[C@H]1OC(=O)N([C@H]1C)C(=O)CCc1cccc2ccccc12 |r|
COc1ccccc1CNC(=O)N1[C@@H](C)[C@H](OC1=O)c1cc(F)cc(c1)C(F)(F)F |r|
COc1ccccc1CNC(=O)N1[C@@H](C)[C@H](OC1=O)c1cccc(c1)C(F)(F)F |r|
COc1cccnc1CNC(=O)N1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
COc1ccncc1CNC(=O)N1[C@@H](CO)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
COc1cncc(CNC(=O)N2[C@@H](CO)[C@H](OC2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1OC |r|
C[C@@H]1NN(C(=O)NCc2cncc3ccccc23)C(=O)O[C@@H]1c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H](NC(=O)OCc1ccccc1)C(O)c1cc(cc(OCC=C)n1)C(F)(F)F |r|
C[C@H]1CN(C(=O)NCc2cncc3ccccc23)C(=O)O[C@@H]1c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCN1CCOc2ccc(C)nc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2ccccc12)c1cc(Cl)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2ccccc12)c1cccc(Br)n1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2ccccc12)c1cccc(OC(F)(F)F)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2ccncc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2cnccc12)c1cc(C)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2ncccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cccc2sccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(Br)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(C)cc(C)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(C)cc(F)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(F)c(F)c(F)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cc(ccn1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1ccc(F)c(F)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cccc(F)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)CCc1cncc2ccccc12)c1cccc(OC(F)(F)F)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)COc1cccc(C)c1C)c1cccc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)COc1cccc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)Cc1cccc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)N(O)Cc1cccc2ccccc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCC1CCCc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCCc1ncccc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cc(C)cnc1F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc(c1)N(C)C)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2CNC(=O)c12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2OCCOc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2OCCOc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2cc[nH]c12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2ccccc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2ccnn12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2cn[nH]c12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2cncnc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2cncnc12)c1cc(cc(c1)C(F)(F)F)N1CCC(F)(F)C1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2ncccc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2nccnc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2nccnc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1-n1cccc1)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1C(F)(F)F)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1C)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1CN(C)C)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1Cl)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1OC(F)F)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1S(C)(=O)=O)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccccc1[N+]([O-])=O)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccnc1N1CCOCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccnc2ccccc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ccnc2cccnc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cnc2CCCc2c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cnc2sccn12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(F)cc(Br)c1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(F)cc(c1)C1CC1 |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(OCC=C)cc(n1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(cc(c1)C(F)(F)F)N(C)C |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cccc(c1)C(C)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cccc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cccc(c1)C(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2cccnc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2cccnc12)c1cccc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1nccc2ccoc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1nccc2sccc12)c1cc(F)cc(c1)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ncccc1Br)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1ncccc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@H]1[C@H](OC(=O)N1C(=O)NCc1sc(C)nc1C)c1cc(F)cc(c1)C(F)(F)F |r|
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CN(C(=O)CCc2cncc3ccccc23)C(=O)O1
FC(F)(F)c1cc(cc(c1)C(F)(F)F)[C@H]1CN(C(=O)CCc2cncc3ccccc23)C(=O)O1 |r|
Fc1cccc(C2CN(C(=O)CCc3cncc4ccccc34)C(=O)O2)c1F
OCC[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(F)cc(c1)C(F)(F)F |r|
OC[C@H]1[C@H](OC(=O)N1C(=O)NCc1cccc2cncnc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
OC[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2ccccc12)c1cc(F)cc(c1)C(F)(F)F |r|
OC[C@H]1[C@H](OC(=O)N1C(=O)NCc1cncc2cccnc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|