887 SMILES Strings for Cytochrome P450 2C8

Compound Name
SMILES String
CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1 |r,wU:3.2,wD:6.9,(-6.67,1.54,;-5.33,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-5.33,5.39,;-4,6.16,;-2.67,5.39,;-2.67,3.85,;-4,7.7,;-5.33,8.47,;-2.67,8.47,;-2.67,.77,;-1.33,1.54,;,.77,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-4,-7.7,;-2.67,-8.47,;-5.33,-8.47,;-6.67,-7.7,;-8,-8.47,;-6.67,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-2.67,-.77,;-4,-1.54,;1.33,1.54,;2.67,.77,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.08,;6.67,1.54,;8,.77,;8,-.77,;2.67,3.85,;1.33,3.08,)|
CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1 |r,wU:3.2,wD:6.9,(-6,1.54,;-4.67,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-4.67,5.39,;-3.33,6.16,;-2,5.39,;-2,3.85,;-3.33,7.7,;-2,8.47,;-4.67,8.47,;-6,7.7,;-7.34,8.47,;-8.67,7.7,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;.67,-3.85,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-3.33,-7.7,;-2,-8.47,;-4.67,-8.47,;-6,-7.7,;-7.34,-8.47,;-6,-6.16,;-4.67,-5.39,;-4.67,-3.85,;-2,-.77,;-3.33,-1.54,;2,1.54,;3.33,2.31,;4.67,3.08,;6,2.31,;6,.77,;7.34,,;8.67,.77,;8.67,2.31,;7.34,3.08,)|
CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
CCCCCCCCCCCC(=O)OCC(CCP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC
CCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC
FC(F)(F)c1cccc(c1)N1C2=C([C@H](NC1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12|
CS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:16|
CS(=O)(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:6|
OCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:8|
CC(C)(O)CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:10|
CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:6|
CCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:7|
CC(=O)C1=C(C)N(C(=O)N[C@H]1C#N)c1cccc(c1)C(F)(F)F |r,c:3|
Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4[C@@H](O)[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |c:5|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2nc(C)ccc2c1 |(-6.67,-4.53,;-8,-3.76,;-8,-2.22,;-9.34,-1.45,;-6.67,-1.45,;-6.67,.09,;-5.33,-2.22,;-4,-1.45,;-4,.09,;-2.67,.86,;-1.33,.09,;,.86,;,2.4,;1.46,2.88,;2.37,1.63,;3.9,1.47,;4.53,.06,;6.06,-.1,;3.62,-1.18,;2.09,-1.02,;1.46,.39,;-1.09,3.49,;-.69,4.98,;-1.78,6.07,;-3.27,5.67,;-3.67,4.18,;-2.58,3.09,;-1.33,-1.45,;-2.67,-2.22,;,-2.22,;1.33,-2.99,;2.67,-3.76,;2.67,-5.3,;4,-6.07,;5.33,-5.3,;6.67,-6.07,;8,-5.3,;9.34,-6.07,;8,-3.76,;6.67,-2.99,;5.33,-3.76,;4,-2.99,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.06,.67,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-.69,5.75,;-1.78,6.84,;-3.27,6.44,;-3.67,4.95,;-2.58,3.86,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc(cc1)-c1ccon1 |(-6.52,-3.52,;-7.85,-2.75,;-7.85,-1.21,;-9.19,-.44,;-6.52,-.44,;-6.52,1.1,;-5.19,-1.21,;-3.85,-.44,;-3.85,1.1,;-2.52,1.87,;-1.18,1.1,;.15,1.87,;.15,3.41,;1.61,3.89,;2.52,2.64,;4.05,2.48,;4.68,1.07,;6.21,.91,;3.77,-.17,;2.24,-.01,;1.61,1.39,;-.94,4.5,;-.54,5.99,;-1.63,7.08,;-3.12,6.68,;-3.52,5.19,;-2.43,4.1,;-1.18,-.44,;-2.52,-1.21,;.15,-1.21,;1.48,-1.98,;2.82,-2.75,;2.82,-4.29,;4.15,-5.06,;5.48,-4.29,;5.48,-2.75,;4.15,-1.98,;6.82,-5.06,;6.82,-6.6,;8.28,-7.08,;9.19,-5.83,;8.28,-4.58,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2N(C)C(=O)COc2c1 |(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.06,.67,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-.69,5.75,;-1.78,6.84,;-3.27,6.44,;-3.67,4.95,;-2.58,3.86,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccccc1 |(-5.03,-4.53,;-6.36,-3.76,;-6.36,-2.22,;-7.7,-1.45,;-5.03,-1.45,;-5.03,.09,;-3.7,-2.22,;-2.36,-1.45,;-2.36,.09,;-1.03,.86,;.3,.09,;1.64,.86,;1.64,2.4,;3.1,2.88,;4.01,1.63,;5.54,1.47,;6.17,.06,;7.7,-.1,;5.26,-1.18,;3.73,-1.02,;3.1,.39,;.55,3.49,;.95,4.98,;-.14,6.07,;-1.63,5.67,;-2.03,4.18,;-.94,3.09,;.3,-1.45,;-1.03,-2.22,;1.64,-2.22,;2.97,-2.99,;4.31,-3.76,;4.31,-5.3,;5.64,-6.07,;6.97,-5.3,;6.97,-3.76,;5.64,-2.99,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;2.55,5.06,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-.02,5.75,;-1.11,6.84,;-2.6,6.44,;-3,4.95,;-4.49,4.55,;-1.91,3.86,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnn(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.32,;-7.34,-2.55,;-7.34,-1.01,;-8.67,-.24,;-6,-.24,;-6,1.3,;-4.67,-1.01,;-3.33,-.24,;-3.33,1.3,;-2,2.07,;-.67,1.3,;.67,2.07,;.67,3.61,;2.13,4.09,;3.04,2.84,;4.57,2.68,;5.19,1.27,;6.68,.88,;4.29,.03,;2.76,.19,;2.13,1.6,;-.67,4.38,;-.67,5.92,;-2.13,6.4,;-3.04,5.15,;-4.58,5.15,;-2.13,3.91,;-.67,-.24,;-2,-1.01,;.67,-1.01,;2,-1.78,;3.33,-2.55,;3.33,-4.09,;4.67,-4.86,;6,-4.09,;7.34,-4.86,;7.34,-6.4,;8.67,-4.09,;8.67,-2.55,;7.34,-1.78,;6,-2.55,;4.67,-1.78,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cncn2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.32,;-7.34,-2.55,;-7.34,-1.01,;-8.67,-.24,;-6,-.24,;-6,1.3,;-4.67,-1.01,;-3.33,-.24,;-3.33,1.3,;-2,2.07,;-.67,1.3,;.67,2.07,;.67,3.61,;2.13,4.09,;3.04,2.84,;4.57,2.68,;5.19,1.27,;6.68,.88,;4.29,.03,;2.76,.19,;2.13,1.6,;-.67,4.38,;-.67,5.92,;-2.13,6.4,;-3.04,5.15,;-2.13,3.91,;-2.9,2.57,;-.67,-.24,;-2,-1.01,;.67,-1.01,;2,-1.78,;3.33,-2.55,;3.33,-4.09,;4.67,-4.86,;6,-4.09,;7.34,-4.86,;7.34,-6.4,;8.67,-4.09,;8.67,-2.55,;7.34,-1.78,;6,-2.55,;4.67,-1.78,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.1,;-7.34,-3.33,;-7.34,-1.79,;-8.67,-1.02,;-6,-1.02,;-6,.52,;-4.67,-1.79,;-3.33,-1.02,;-3.33,.52,;-2,1.29,;-.67,.52,;.67,1.29,;.67,2.83,;2.13,3.3,;3.04,2.06,;4.57,1.9,;5.19,.49,;6.68,.09,;4.29,-.76,;2.76,-.6,;2.13,.81,;-.42,3.92,;-1.91,3.52,;-3,4.61,;-2.6,6.09,;-3.69,7.18,;-1.11,6.49,;-.02,5.4,;-.67,-1.02,;-2,-1.79,;.67,-1.79,;2,-2.56,;3.33,-3.33,;3.33,-4.87,;4.67,-5.64,;6,-4.87,;7.34,-5.64,;7.34,-7.18,;8.67,-4.87,;8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.1,;-7.34,-3.33,;-7.34,-1.79,;-8.67,-1.02,;-6,-1.02,;-6,.52,;-4.67,-1.79,;-3.33,-1.02,;-3.33,.52,;-2,1.29,;-.67,.52,;.67,1.29,;.67,2.83,;2.13,3.3,;3.04,2.06,;4.57,1.9,;5.19,.49,;6.68,.09,;4.29,-.76,;2.76,-.6,;2.13,.81,;-.42,3.92,;-.02,5.4,;-1.11,6.49,;-2.6,6.09,;-3.69,7.18,;-3,4.61,;-1.91,3.52,;-.67,-1.02,;-2,-1.79,;.67,-1.79,;2,-2.56,;3.33,-3.33,;3.33,-4.87,;4.67,-5.64,;6,-4.87,;7.34,-5.64,;7.34,-7.18,;8.67,-4.87,;8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-.02,5.75,;-1.11,6.84,;-2.6,6.44,;-3,4.95,;-4.49,4.55,;-5.57,5.64,;-1.91,3.86,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.1,;-7.34,-3.33,;-7.34,-1.79,;-8.67,-1.02,;-6,-1.02,;-6,.52,;-4.67,-1.79,;-3.33,-1.02,;-3.33,.52,;-2,1.29,;-.67,.52,;.67,1.29,;.67,2.83,;2.13,3.3,;3.04,2.06,;4.57,1.9,;5.19,.49,;6.68,.09,;4.29,-.76,;2.76,-.6,;2.13,.81,;-.42,3.92,;-.02,5.4,;-1.11,6.49,;-2.6,6.09,;-3.69,7.18,;-5.18,6.78,;-3,4.61,;-1.91,3.52,;-.67,-1.02,;-2,-1.79,;.67,-1.79,;2,-2.56,;3.33,-3.33,;3.33,-4.87,;4.67,-5.64,;6,-4.87,;7.34,-5.64,;7.34,-7.18,;8.67,-4.87,;8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.02,.44,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-2.58,3.86,;-3.67,4.95,;-3.27,6.44,;-1.78,6.84,;-.69,5.75,;.8,6.15,;1.89,5.06,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccccc1 |r,wU:2.2,(-5.01,-4.53,;-6.34,-3.76,;-6.34,-2.22,;-7.68,-1.45,;-5.01,-1.45,;-5.01,.09,;-3.67,-2.22,;-2.34,-1.45,;-2.34,.09,;-1.01,.86,;.33,.09,;1.66,.86,;1.66,2.4,;3.12,2.88,;4.03,1.63,;5.56,1.47,;6.19,.06,;7.68,-.33,;5.28,-1.18,;3.75,-1.02,;3.12,.39,;.57,3.49,;.97,4.98,;-.12,6.07,;-1.61,5.67,;-2.01,4.18,;-3.49,3.78,;-.92,3.09,;.33,-1.45,;-1.01,-2.22,;1.66,-2.22,;2.99,-2.99,;4.33,-3.76,;4.33,-5.3,;5.66,-6.07,;6.99,-5.3,;6.99,-3.76,;5.66,-2.99,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.02,.44,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-.69,5.75,;-1.78,6.84,;-3.27,6.44,;-3.67,4.95,;-5.15,4.55,;-6.24,5.64,;-2.58,3.86,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-5.84,6.78,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(Cl)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.16,;-7.34,-3.39,;-7.34,-1.85,;-8.67,-1.08,;-6,-1.08,;-6,.46,;-4.67,-1.85,;-3.33,-1.08,;-3.33,.46,;-2,1.23,;-.67,.46,;.67,1.23,;.67,2.77,;2.13,3.25,;3.04,2,;4.57,1.84,;5.19,.44,;6.68,.04,;4.29,-.81,;2.76,-.65,;2.13,.76,;-.42,3.86,;-1.91,3.46,;-3,4.55,;-2.6,6.04,;-1.11,6.44,;-.02,5.35,;1.46,5.75,;1.86,7.24,;-.67,-1.08,;-2,-1.85,;.67,-1.85,;2,-2.62,;3.33,-3.39,;3.33,-4.93,;4.67,-5.7,;6,-4.93,;7.34,-5.7,;7.34,-7.24,;8.67,-4.93,;8.67,-3.39,;7.34,-2.62,;6,-3.39,;4.67,-2.62,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)|
CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC)C[C@@H]4N1C(=O)[C@@H](NC4=O)CCC(=O)OC(C)(C)C
COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O |r|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.35,21.27,wD:34.39,(-1.73,1.79,;-3.21,1.4,;-4.3,2.48,;-5.79,2.09,;-6.88,3.17,;-8.37,2.78,;-9.46,3.87,;-10.94,3.47,;-12.03,4.56,;-11.34,1.98,;-10.94,5.01,;-6.19,.6,;-5.1,-.49,;-5.5,-1.98,;-3.61,-.09,;-2.52,-1.18,;-3.15,-2.59,;-2.24,-3.83,;-.71,-3.67,;.06,-5.01,;-.09,-2.27,;1.38,-1.79,;1.38,-.25,;-.09,.23,;-.99,-1.02,;2.7,-2.56,;4.03,-1.79,;5.36,-2.56,;6.7,-1.79,;6.7,-.25,;5.36,.52,;4.03,-.25,;8.03,.52,;9.37,1.29,;9.37,-.25,;10.7,.52,;12.03,-.25,;10.7,2.06,)|
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Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1 |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-10.59,5.98,;-11.93,6.75,;-13.07,5.71,;-14.58,6.03,;-12.44,4.31,)|
Cc1cc(O[C@@H]2COC[C@H]2O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,5.4,wD:34.40,9.10,(-2.31,2.46,;-3.8,2.06,;-4.89,3.15,;-6.38,2.75,;-7.47,3.84,;-8.95,3.44,;-10.2,4.34,;-11.45,3.44,;-10.97,1.97,;-9.43,1.97,;-8.66,.64,;-6.78,1.26,;-5.69,.17,;-6.09,-1.32,;-4.2,.57,;-3.11,-.52,;-3.74,-1.93,;-2.83,-3.17,;-1.3,-3.01,;-.53,-4.34,;-.67,-1.6,;.79,-1.13,;.79,.41,;-.67,.89,;-1.58,-.36,;2.11,-1.9,;3.44,-1.13,;4.78,-1.9,;6.11,-1.13,;6.11,.41,;4.78,1.18,;3.44,.41,;7.44,1.18,;8.78,1.95,;8.78,.41,;10.11,1.18,;11.45,.41,;10.11,2.72,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)C(=O)NCC(C)(C)O |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-10.44,5.93,;-12.42,4.15,;-13.45,5.29,;-14.96,4.97,;-15.99,6.12,;-15.43,3.51,;-13.93,3.83,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1 |r,wU:25.28,14.20,wD:27.32,(-3.29,.75,;-4.78,.36,;-5.87,1.44,;-7.36,1.05,;-7.76,-.44,;-6.67,-1.53,;-7.07,-3.02,;-5.18,-1.13,;-4.09,-2.22,;-4.72,-3.63,;-3.81,-4.87,;-2.28,-4.71,;-1.51,-6.05,;-1.65,-3.31,;-.19,-2.83,;-.19,-1.29,;-1.65,-.81,;-2.56,-2.06,;1.13,-3.6,;2.46,-2.83,;3.8,-3.6,;5.13,-2.83,;5.13,-1.29,;3.8,-.52,;2.46,-1.29,;6.46,-.52,;7.8,.25,;7.8,-1.29,;9.13,-.52,;10.46,-1.29,;9.13,1.02,;-8.45,2.14,;-9.99,2.14,;-10.46,3.6,;-9.22,4.51,;-9.22,6.05,;-7.97,3.6,)|
Cc1cccc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.34,20.26,wD:33.38,(-1.73,1.21,;-3.21,.81,;-4.3,1.9,;-5.79,1.5,;-6.88,2.59,;-8.37,2.19,;-9.46,3.28,;-10.94,2.88,;-12.03,3.97,;-11.34,1.39,;-10.94,4.42,;-6.19,.01,;-5.1,-1.08,;-5.5,-2.56,;-3.61,-.68,;-2.52,-1.77,;-3.15,-3.17,;-2.24,-4.42,;-.71,-4.26,;-.09,-2.85,;1.38,-2.38,;1.38,-.84,;-.09,-.36,;-.99,-1.61,;2.7,-3.15,;4.03,-2.38,;5.36,-3.15,;6.7,-2.38,;6.7,-.84,;5.36,-.07,;4.03,-.84,;8.03,-.07,;9.37,.7,;9.37,-.84,;10.7,-.07,;12.03,-.84,;10.7,1.47,)|
Cc1c(cccc1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)C#N |r|
COc1ccc(cc1F)-c1cccc2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
COc1cnc(cn1)-c1ccc(cc1)-c1cccc2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)C(N)=O |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.42,4.15,;-10.44,5.93,)|
Cc1cc(O[C@@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.35,20.27,wD:33.39,5.4,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.34,7.18,;-10.44,8.43,;-8.97,7.95,;-8.97,6.41,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(CO)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:27.30,16.22,wD:29.34,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
CN1CC(CCC1=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-14.96,4.97,;-13.45,5.29,;-12.42,4.15,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.97,6.76,;-14,7.9,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC2(C)COC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-10,7.55,;-13.01,7.08,;-12.85,8.61,;-11.31,8.61,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC(O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:30.33,19.25,wD:32.37,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-10.99,8.54,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC(C)(C)C#N)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.35,21.27,wD:34.39,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.97,6.76,;-11.94,5.61,;-10.99,8.54,;-10.67,10.05,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1ccn(C)c(=O)n1 |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-12.97,6.76,;-14,7.9,;-11.47,7.08,;-10.99,8.54,;-10.44,5.93,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1ccnn1C |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.44,4.31,;-13.07,5.71,;-11.93,6.75,;-10.59,5.98,;-9.19,6.6,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(CC(C)(C)O)n1 |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.44,4.31,;-13.07,5.71,;-11.93,6.75,;-12.09,8.28,;-10.84,9.18,;-11,10.71,;-9.43,8.56,;-10.68,7.65,;-10.59,5.98,)|
Cc1cnc(nc1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-14,7.9,;-12.97,6.76,;-11.47,7.08,;-10.44,5.93,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
COc1cc(ccn1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-12.02,9.69,;-10.99,8.54,;-11.47,7.08,;-10.44,5.93,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-12.97,6.76,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)C(O)=O |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.42,4.15,;-10.44,5.93,)|
OC(=O)[C@H]1C[C@@H]1c1ccc(N[C@@H]2CCc3c2c(F)ccc3-c2c(Cl)cccc2Cl)cn1 |r,wU:5.6,11.11,wD:3.2,(7.82,1.23,;6.49,2,;6.49,3.54,;5.15,1.23,;5.15,2.77,;3.82,2,;2.49,1.23,;1.15,2,;-.18,1.23,;-.18,-.31,;-1.51,-1.08,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-4.25,-.93,;-4.73,-2.4,;-3.7,-3.54,;-6.24,-2.72,;-7.27,-1.57,;-6.79,-.11,;-7.82,1.04,;-7.35,2.5,;-5.84,2.82,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;1.15,-1.08,;2.49,-.31,)|
OC(=O)[C@H]1C[C@@H]1c1ccc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C2(CC2)C#N)cn1 |r|
Cc1cc(OCC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:33.37,22.29,wD:35.41,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-10.99,8.54,;-12.02,9.69,;-13.53,9.37,;-14,7.9,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
CNC(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:29.32,18.24,wD:31.36,(-13.45,5.29,;-12.42,4.15,;-10.91,4.47,;-10.44,5.93,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Bc1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O)-c1ccn(C)c(=O)c1 |r,wU:25.28,14.20,wD:27.32,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,;-10.91,4.47,;-12.42,4.15,;-13.45,5.29,;-12.97,6.76,;-14,7.9,;-11.47,7.08,;-10.99,8.54,;-10.44,5.93,)|
OC(=O)[C@H]1C[C@@H]1c1ccc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C(F)(F)F)cn1 |r|
Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-13,6.92,;-13.63,8.32,;-12.48,9.35,;-11.15,8.58,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(O[C@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.35,20.27,5.4,wD:33.39,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.34,7.18,;-10.44,8.43,;-8.97,7.95,;-8.97,6.41,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:31.34,20.26,wD:33.38,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.97,6.76,;-10.99,8.54,;-11.94,5.61,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:32.36,21.28,wD:34.40,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-8.93,6.25,;-8.45,7.72,;-9.49,8.86,;-10.99,8.54,;-11.47,7.08,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
CC(C)c1ccccc1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r|
Cc1cc(OCC2(O)CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:34.38,23.30,wD:36.42,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-9.96,7.4,;-10.99,8.54,;-12.02,9.69,;-13.53,9.37,;-14,7.9,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:36.40,25.32,wD:38.44,(-5.84,2.82,;-7.35,2.5,;-8.38,3.64,;-9.88,3.32,;-10.91,4.47,;-10.44,5.93,;-11.47,7.08,;-12.5,8.22,;-10.99,8.54,;-12.02,9.69,;-13.53,9.37,;-15.03,9.69,;-13.37,10.9,;-14,7.9,;-12.97,6.76,;-10.36,1.86,;-9.33,.71,;-9.8,-.75,;-7.82,1.04,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
CN(C)C(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1ccc(nc1)[C@H]1C[C@@H]1C(O)=O |r,wU:30.33,19.25,wD:32.37,(-13.45,5.29,;-12.42,4.15,;-12.9,2.68,;-10.91,4.47,;-10.44,5.93,;-9.88,3.32,;-8.38,3.64,;-7.35,2.5,;-5.84,2.82,;-7.82,1.04,;-9.33,.71,;-9.8,-.75,;-10.36,1.86,;-6.79,-.11,;-7.27,-1.57,;-6.24,-2.72,;-4.73,-2.4,;-3.7,-3.54,;-4.25,-.93,;-2.85,-.31,;-3.01,1.22,;-4.51,1.54,;-5.28,.21,;-1.51,-1.08,;-.18,-.31,;-.18,1.23,;1.15,2,;2.49,1.23,;2.49,-.31,;1.15,-1.08,;3.82,2,;5.15,2.77,;5.15,1.23,;6.49,2,;7.82,1.23,;6.49,3.54,)|
C[C@@H](NC(=O)c1cc(OC[C@@]2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
CC(C(c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C
CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(C)(O)C1(CC1)C2
C=CCn1c(=O)c2cnc(Nc3ccc(N4CC5CC(C4)N5C)cc3)nc2n1-c1ccc2c(n1)[C@@](C)(O)C1(CC2)CC1
[2H][C@]1(O)c2nc(-n3c4nc(Nc5ccc(N6CCC7(CCN(C)CC7)CC6)cc5)ncc4c(=O)n3CC=C)ccc2CCC12CC2
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1ccc2c(n1)[C@](C)(O)C1(CC2)CC1
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1cncn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CC[C@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c2ccc(s2)Cl)C(=O)OCCc3nccn3C)N4CC[C@@H](C4=O)O
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccco3)cn2)c(c1)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)cn1 |r|
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccco2)cn1 |r|
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccccn3)cn2)c(c1)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2noc(c2C)-c2ccccn2)cn1 |r|
CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cnc(s2)-c2ccccn2)cn1
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2cnccn2)cn1 |r|
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(no2)-c2ccccn2)cn1 |r|
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3cnccn3)cn2)c(c1)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cn(nn2)-c2ccccn2)cn1 |r|
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)cn1 |r|
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ncccn3)cn2)c(c1)C(F)(F)F
CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1 |r|
Cc1c(NC(=O)c2cc(on2)-c2ccco2)cnn1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)c(C)n1 |r|
CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)c(C)n1
CCCCC1=N[C@@]2(CC3C[C@H]3C2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1
CCCCC1=N[C@@]2(CC3C[C@H]3C2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)c(COCC)c1
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C |t:4|
O=C(Cc1ccccc1)c1ccn(C(=O)c2ccccc2F)c1
O=C(Cc1ccccc1)c1ccn(Cc2c(F)cccc2F)c1
O=C(Cc1ccncc1)c1ccn(C(=O)c2ccccc2F)c1
O=C(c1cccnc1)c1ccn(C(=O)c2ccccc2F)c1
CC(C)(CO)[C@@H](O)C(=O)n1ccc(C(=O)N2CCCC2)c1
O=C(NC1CCOCC1)c1ccn(Cc2c(F)cccc2F)c1
O=C(NC1CCCCC1)c1ccn(Cc2c(F)cccc2F)c1
CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccn(Cc3c(F)cccc3F)c2)C1
O=C(c1cncc(F)c1)c1ccn(Cc2ccccc2F)c1
O=C(c1cccnc1)c1ccn(C(=O)c2ccccc2F)c1
Cn1c(C(=O)Cc2ccncc2)ccc1C(=O)c1ccccc1F
Cn1c(Cc2c(F)cccc2F)ccc1C(=O)Cc1ccccc1
Cn1c(Cc2c(F)cccc2F)ccc1C(=O)C(Cc1c(F)cccc1F)c1ccccc1
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1
c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3
CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|
O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CCc2ccccc2)C1 |r|
CC(C)N(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Nc1cccc(c1)-c1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
CC(C)CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1
Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccnn1-c1ccccc1
CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
OCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1
[O-][N+](=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Nc1cccc(c1)-c1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Cc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
CCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1
NCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
C=CCc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
CCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
Nc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
OCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
CCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
OCCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
NCCCc1ccc(cc1)S(=O)(=O)N(CCCO)c1ccnn1-c1ccccc1
CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(CC=C)cc1
C=CCc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccnn1-c1ccccc1
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
NNCCc1ccccc1
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
c1cnccc1C(=O)NN
[H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|
[H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r|
Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12
Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2
COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4
Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F
C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F
CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1 |r|
CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cc2)C(F)(F)F)on1 |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5|
Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4|
[H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8|
Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
CC(C)(CO)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 |r|
Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r|
N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16|
CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r|
COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC |r|
Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F
CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1
COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C |c:4,9|
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9|
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CN(C)CCOC(c1ccccc1)c1ccccc1C
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@H]3CCCCN3)O
CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3
COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC
COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC
COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r|
COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
[H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1 |r|
c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N
COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1
OC(=O)c1ccccc1NC(=O)CCc1csc(n1)-c1ccc(O)cc1Cl
C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21|
[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
C[C@@H]1CN(CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl)C
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r|
COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r|
[O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1
[O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
OC(=O)c1ccccc1NC(=O)CCc1cnn-2c1CCc1cc(O)ccc-21
OC(=O)c1ccccc1NC(=O)CCc1noc-2c1Cc1cc(O)ccc-21
OC(=O)C1=C(CCCC1)NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21 |t:3|
OC(=O)C1=C(CCC1)NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21 |t:3|
OC(=O)c1ccccc1NC(=O)CCc1[nH]nc-2c1CCc1cc(O)ccc-21
OC(=O)c1ccccc1NC(=O)CCc1[nH]nc2c1ccc1cc(O)ccc21
OC(=O)c1ccccc1NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnc[nH]1 |r|
C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22|
Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(OC)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCOCC1)[C@@H](C)O |r|
[H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1
Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(O)CC1
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27|
CCCC1N(CCCC1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCCC(O)=O)C(=O)c1cnccc1C(F)(F)F
CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O
OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O
Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O
CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC
CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC
CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
CCc1cc(CC[C@@]2(CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)C2CCCC2)cc(CC)n1 |r|
OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N
C[C@H]1N(CCc2c1ncn2-c1ccccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1ncn2-c1ccc(F)cc1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|
C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CC(C)(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:21|
COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O |t:20|
CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O
OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1
O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2
CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r|
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2cc(Cl)cc(Cl)c2)cc1
CC(C)N(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1
CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O
COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:26.30,c:34,(3.67,-28.22,;2.34,-27.43,;1,-28.18,;.98,-29.73,;-.38,-30.48,;-1.7,-29.68,;-3.16,-30.12,;-4.05,-28.86,;-3.12,-27.63,;-1.67,-28.13,;-.32,-27.39,;-3.94,-31.44,;-5.41,-31.91,;-6.74,-31.13,;-8.08,-31.89,;-8.1,-33.43,;-6.77,-34.22,;-5.42,-33.45,;-3.96,-33.94,;-3.95,-35.48,;-2.61,-36.24,;-2.62,-37.78,;-1.28,-38.54,;.05,-37.77,;.04,-36.22,;-1.3,-35.46,;1.36,-35.44,;1.35,-36.98,;1.37,-33.9,;2.84,-33.43,;3.32,-31.97,;3.73,-34.68,;2.82,-35.92,;3.29,-37.39,;-3.04,-32.7,;-1.5,-32.71,)|
CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|
Cc1[nH]c(C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1NC(=O)[C@H]1CCCN1
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16|
CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCCCCC(=O)CCc1ccc(O)c(OC)c1
CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(Cl)ccc1F
Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
COc1cccc2nccc(Nc3cc(ncc3C)-c3nc(C)ccc3F)c12
O=c1c2c([nH]c(Cc3ccc4OCOc4c3)c2oc2ccccc12)-c1nccs1
C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1
CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccc1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccncc1)-c1ccc(F)cc1
OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)|
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
Cn1c(nc2ccc(\C=C\C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc12)C1(CCC1)NC(=O)c1ccc2c(C3CCCC3)c(-c3ncc(Br)cn3)n(C)c2c1 |r|
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1 |r|
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C
O[C@H]1[C@H](OC(=O)[C@@H](N2CCc3sccc3C2)c2ccccc2Cl)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC
CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O
CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r|
Cc1cc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
[O-][n+]1onc2ccc(\C=N\NC(=O)c3ccncc3)cc12
COCCCc1ccc2oc(cc2c1)-c1ccc(OC)c(OC)c1
C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
[H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cc(F)cc(Cl)c1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cc(F)cc(Cl)c1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cccc(F)c1
OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
CCCCC[C@H]1OC(=O)c2ccc(OC)cc2[C@H]1OC(C)=O |r|
CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F
Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|
CCCC[S@@+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1 |r|
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
C[C@H]1N(CCc2c1nnn2-c1cc(F)ccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C(NCC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(F)(F)CC1 |r|
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(C)(C)CC1 |r|
C(NC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC(C)[C@@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2CN(Cc12)C(=O)NCC(C)(F)F |(42.82,-46.29,;44.15,-45.52,;45.48,-46.29,;46.82,-45.52,;48.15,-46.28,;46.81,-43.97,;45.48,-43.21,;45.47,-41.67,;46.8,-40.89,;48.14,-41.66,;49.47,-40.88,;50.87,-41.49,;51.9,-40.35,;53.43,-40.5,;51.12,-39.02,;49.62,-39.34,;44.15,-43.98,;42.82,-43.21,;41.49,-43.98,;40.15,-43.21,;38.82,-43.98,;40.15,-41.67,;41.48,-40.9,;41.8,-39.39,;43.32,-39.23,;43.95,-40.63,;42.82,-41.66,;44.09,-37.89,;43.31,-36.56,;45.63,-37.88,;46.39,-36.55,;47.93,-36.54,;49.47,-36.54,;48.7,-35.2,;48.71,-37.87,)|
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)|
CCSc1nc2ccc(OC)cc2[nH]1
CCCSc1nc2ccc(OC)cc2[nH]1
CCCCSc1nc2ccc(OC)cc2[nH]1
CCCCCSc1nc2ccc(OC)cc2[nH]1
CCCCCCSc1nc2ccc(OC)cc2[nH]1
CCCCCCCSc1nc2ccc(OC)cc2[nH]1
COc1ccc2nc(SCC(C)C)[nH]c2c1
COc1ccc2nc(SCC(C)(C)C)[nH]c2c1
COc1ccc2nc(SCc3ccc(cc3)C(O)=O)[nH]c2c1
COc1ccc2nc(SCC3CC3)[nH]c2c1
COc1ccc2nc(SCC3CCCCC3)[nH]c2c1
COc1ccc2nc(SCCCO)[nH]c2c1
COc1ccc2nc(SCCCC(O)=O)[nH]c2c1
COc1ccc2nc(SCc3ccccc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(C)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(cc3)C(C)C)[nH]c2c1
COc1ccc2nc(SCc3ccc(cc3)C(C)(C)C)[nH]c2c1
COc1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1
COc1ccc2nc(SCc3cc(OC)cc(OC)c3)[nH]c2c1
COc1ccc2nc(SCc3cccc(c3)-c3ccccc3)[nH]c2c1
COc1ccc2nc(SCc3ccc4ccccc4c3)[nH]c2c1
COc1ccc2nc(SCc3ccc4ccccc4n3)[nH]c2c1
COc1ccc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1
COc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccccn3)[nH]c2c1
CCOc1ccc2nc(SCc3ccccn3)[nH]c2c1
C(Sc1nc2ccccc2[nH]1)c1ccccn1
Cc1ccc2nc(SCc3ccccn3)[nH]c2c1
Nc1ccc2nc(SCc3ccccn3)[nH]c2c1
FC(F)Oc1ccc2nc(SCc3ccccn3)[nH]c2c1
C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O
CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
CCCCC(=O)N(Cc1ccc(OC)cc1)c1cccc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1cccc(OC(C)C)c1)c1cc(F)cc(c1)-c1nnn[nH]1
CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cccc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1
CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1
CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1
CS(=O)(=O)c1ccc(CN(C(=O)Cc2ccccc2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1
CCC(=O)N(Cc1cccc(O)c1)c1cc(F)cc(c1)-c1nnn[nH]1
O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r|
OC(=O)C(\O)=C\C(=O)c1cc(Cc2ccc(F)cc2F)cn(Cc2ccccc2F)c1=O
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N |r|
Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
C(N1CCN(Cc2ccccc2)CC1)c1nnc(o1)-c1ccccc1
C(N1CCN(Cc2ccccc2)CC1)c1nc(no1)-c1ccccc1
O=C(NC1CCCCC1)c1nc(CS(=O)(=O)c2ccccc2)no1
C1CCC(CC1)c1nnc(o1)-c1ccncc1
C1CCC(CC1)c1nc(no1)-c1ccncc1
O=C(NCc1ccncc1)c1nnc(CS(=O)(=O)c2ccccc2)o1
O=C(NCc1ccncc1)c1nc(CS(=O)(=O)c2ccccc2)no1
Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1
Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1
O=C(NC1CCCCC1)c1nnc(CS(=O)(=O)c2ccccc2)o1
Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1
Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1
CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
CC(=O)c1c2OC3=CC(=O)c4c(C)[nH]nc4[C@]3(C)c2c(O)c(C)c1O |r,t:6|
Cc1cc(CN2CCC2)cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N(Cc3ccccc3)[C@@H](C)C(F)(F)F)C2=O)c1 |r|
C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(\F)CN |r|
NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r,wU:9.8,2.1,wD:19.20,5.5,(39.55,-22.51,;38.22,-21.74,;36.88,-22.51,;36.88,-24.05,;35.55,-24.82,;34.21,-24.05,;32.88,-24.83,;31.55,-24.06,;30.22,-24.84,;30.22,-26.38,;31.56,-27.14,;31.56,-28.68,;32.88,-29.45,;32.88,-30.98,;31.55,-31.75,;30.23,-30.98,;30.23,-29.45,;28.9,-28.68,;28.89,-27.15,;31.54,-22.52,;32.88,-21.74,;32.87,-20.2,;31.53,-19.43,;30.21,-20.21,;28.87,-19.45,;27.54,-20.21,;27.54,-21.77,;28.87,-22.53,;30.21,-21.75,;34.2,-22.51,;35.54,-21.74,)|
CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O |r|
Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N[C@H]2CCOC2)ccc1F |r|
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
Cc1ccccc1[C@H]1[C@@H]2CN(C[C@H]2CC[C@@H]1O[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nc(O)co1 |r|
CC(C)(C)n1nnnc1C(N1CCCC1)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1
CCN(CC)C(c1nnnn1C(C)(C)C)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(OCc2ccccc2)nc1)C(C)(C)C
COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
COc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccncc1)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(N)nc1)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1nncn1C)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnn1)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cnco1)C(C)(C)C
Cc1nnnn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1csnn1)C(C)(C)C
Cc1cncn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc(Cl)c1Cl)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1n[nH]c(=S)n1C)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnc1)C(C)(C)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C
Cc1cn(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C
CCc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|
OC(=O)c1ccc(Sc2ccc(CN3CCC(CC3)N3[C@@H](CN(C4CCOCC4)C3=O)c3ccccc3)cn2)cc1 |r|
Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|
Cc1nc(Oc2ccc(cc2)C(N)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1 |r|
Cc1nc(Oc2ccc(cc2)C(O)=O)ccc1CN1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1cccc(Cl)c1 |r|
Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12
Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O
Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl
CC(C)(C)n1nnnc1C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1
Cc1ccc(cc1)C(NCCNc1ccnc2cc(Cl)ccc12)c1nnnn1C(C)(C)C
OC(=O)Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
OC(=O)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1nnn[nH]1 |r|
C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r|
Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccc(Cl)cc3C(F)(F)F)CCn2c1=O
Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccc(F)cc3C(F)(F)F)CCn2c1=O
CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncn(C)n2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 |r,c:12|
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Cc1ccc(cn1)C#CCN
NCC#Cc1cnccc1-c1ccncc1
NCc1ccc(o1)-c1cnccc1-c1cccnc1
NCc1ccc(s1)-c1cnccc1-c1cccnc1
Cc1ccncc1C#CCN
NCC#Cc1cnccc1-c1ccco1
COc1ccncc1-c1ccc(CN)o1
NCc1ccc(o1)-c1cnccc1-c1ccoc1
NCc1ccc(s1)-c1cnccc1-c1ccccc1
NCc1ccc(s1)-c1cnccc1-c1ccncc1
NCC#Cc1cnccc1-c1ccoc1
COc1ccncc1-c1ccc(CN)s1
NCC#Cc1cccnc1
COc1ccncc1C#CCN
CCCc1ccncc1C#CCN
NCC#Cc1cnccc1-c1ccccc1
NCC#Cc1cnccc1-c1cncnc1
Cc1ccncc1-c1ccc(CN)o1
CCc1ccncc1-c1ccc(CN)o1
CCCc1ccncc1-c1ccc(CN)o1
NCc1ccc(o1)-c1cnccc1-c1ccccc1
NCc1ccc(o1)-c1cnccc1-c1ccncc1
NCc1ccc(o1)-c1cnccc1-c1cncnc1
CCc1ccncc1-c1ccc(CN)s1
NCc1ccc(s1)-c1cnccc1-c1ccco1
NCc1ccc(s1)-c1cnccc1-c1ccoc1
NCc1ccc(s1)-c1cnccc1-c1cncnc1
Cc1ccncc1-c1ccc(CN)s1
NCC#Cc1cnccc1-c1cccnc1
NCc1ccc(o1)-c1cnccc1-c1ccco1
CCCc1ccncc1-c1ccc(CN)s1
CCc1ccncc1C#CCN
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N
c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
c1cc(ccc1CC(=O)Nc2ccn(n2)Cc3ccc(cn3)C#N)C4(CC4)C(F)(F)F
COc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC
CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12
CCCCNc1nc(N)nc2cccc(OCc3ccccc3)c12
CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12
CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12
CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12
CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12
CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12
CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r|
CCCCNc1nc(N)nc2cccc(OCc3ccccn3)c12
CCCCNc1nc(N)nc2cccc(C(=O)NC)c12
CCCCNc1nc(N)nc2cccc(OCc3ccccc3OC)c12
CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r|
CC(C)OC(=O)N1CCC(CCCCCOc2ccc(cc2)C(=O)N(C)C)CC1
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)cc1 |r,wU:18.18,15.14,(64.45,-53.91,;64.45,-55.45,;63.12,-56.22,;65.78,-56.22,;65.78,-57.76,;67.12,-55.45,;68.45,-56.22,;69.79,-55.45,;69.78,-53.9,;71.11,-53.13,;72.45,-53.89,;73.78,-53.12,;75.12,-53.88,;76.45,-53.11,;77.79,-53.87,;79.12,-53.1,;79.1,-51.56,;80.44,-50.78,;81.79,-51.55,;81.71,-50.02,;83.14,-49.47,;84.11,-50.66,;85.44,-49.88,;85.45,-51.42,;83.28,-51.95,;81.77,-53.09,;80.45,-53.86,;68.45,-53.14,;67.12,-53.91,)|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
[H][C@]12CN(c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3)[C@]([H])(CN1C(=O)C=C)C2 |r|
COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1
CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1
CCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1csc(C)n1 |r|
CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(Br)cc2s1
CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(Cl)cc2s1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(n1)C(F)F
[2H]C([2H])([2H])Oc1ccc(nc1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Fc1ccc(Oc2ncc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cn2)cc1 |r|
c1ccc(cc1)CC(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl
CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Nc1cc(Nc2ccc(cc2F)S(C)(=O)=O)ncn1 |r,wU:4.4,9.13,(74.67,-14.14,;73.18,-14.54,;74.28,-15.62,;72.16,-15.69,;70.76,-15.07,;70.91,-13.54,;72.41,-13.21,;69.42,-14.3,;68.08,-15.07,;68.09,-16.6,;69.42,-17.38,;70.74,-16.62,;66.75,-17.38,;65.42,-16.61,;64.09,-17.38,;62.76,-16.61,;61.42,-17.38,;60.09,-16.61,;60.08,-15.06,;58.75,-14.3,;57.42,-15.07,;57.42,-16.61,;58.75,-17.38,;58.75,-18.93,;56.08,-14.3,;54.75,-15.07,;55.31,-12.96,;56.85,-12.96,;62.75,-15.07,;64.07,-14.3,;65.42,-15.06,)|
CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O
OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
Cc1nnc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)o1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(n1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(C)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)cs1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1
OC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1
c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F
C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1 |r|
Cc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N |r|
CC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:2.1,5.8,wD:16.19,2.11,(-.36,-3.62,;-1.75,-2.95,;-3.02,-3.81,;-4.52,-4.18,;-4.94,-5.66,;-3.87,-6.77,;-2.38,-6.4,;-1.95,-4.92,;-4.3,-8.25,;-3.23,-9.36,;-5.79,-8.62,;-3.65,-2.4,;-5.18,-2.24,;-2.75,-1.16,;-1.21,-1.16,;-.73,.31,;-1.98,1.21,;-3.22,.31,;-.44,1.05,;.46,2.3,;1.99,2.14,;2.62,.73,;1.71,-.51,;.18,-.35,;4.15,.57,;4.31,2.1,;3.99,-.96,;3.83,-2.49,;2.46,-.8,;5.52,-1.12,;5.68,.41,;7.21,.25,;6.45,-.92,;5.84,1.94,;-3.01,2.36,;-4.15,1.33,;-4.04,3.5,;-1.86,3.39,;-2.18,4.9,;-1.04,5.93,;.43,5.45,;1.57,6.48,;.75,3.94,;-.4,2.91,)|
OC(=O)C12CCC(CC1)(CC2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1 |r,wU:6.16,3.2,1.0,(20.11,-34.06,;20.13,-35.61,;21.54,-36.23,;22.79,-35.33,;22.63,-33.79,;23.89,-32.89,;25.31,-33.52,;25.45,-35.06,;24.21,-35.96,;26.63,-34.29,;27.95,-33.52,;27.96,-31.99,;28.72,-30.66,;29.5,-31.98,;26.64,-31.23,;25.3,-31.99,;18.89,-36.51,;17.42,-36.03,;16.51,-37.29,;17.42,-38.54,;18.88,-38.05,;14.96,-37.28,;14.2,-38.62,;12.65,-38.62,;11.88,-39.95,;11.88,-37.29,;10.34,-37.29,;9.56,-35.96,;8.03,-35.97,;9.96,-34.47,;11.05,-35.56,;12.65,-35.95,;11.87,-34.63,;14.19,-35.95,)|
OC(=O)c1ccc(CNc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)cc1
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r|
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r|
Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r|
OC(=O)CCCCCNn1nnc2ccccc12
OC(=O)CCCCCCCNn1nnc2ccccc12
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:31|
CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
CNC(=O)C(=O)NCCCC\C=C/CCCCCCCOCC(O)=O
CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1
CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCC(O)=O
Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
O=C(N1CCn2nc(cc2C1)-c1ccccn1)c1ccccc1
Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Cc1cccc(n1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Fc1ccccc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Fc1ccc(cc1F)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1
Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N
CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1
Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccnc1
Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
CC(C)CCNC1=CC(=O)c2ccccc2C1=O |t:6|
CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r|
C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O
CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|
CC1(C)CN2CCNCc3cccc1c23
C1CC2(C1)CN1CCNCc3cccc2c13
C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCCC[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CC[C@H](F)C[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)C2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CC(F)(F)C[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)C(=O)NCC(C)(C)O |r|
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(NC(=O)CC(C)(C)O)nc2C(=O)N2CCC(F)CC2)c(Cl)c1Cl)C(F)(F)F |r|
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N(CC)CC)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCCC[C@@H]2C)C(=O)NCC(C)(C)O)c(C(F)F)c1F)C(F)(F)F |r|
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(C(F)F)c1F)C(F)(F)F |r|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F
NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
Cc1c(nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)(CC2)C(O)=O)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1 |r|
C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)c1cc(ccn1)-c1ccccc1 |r|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1 |r|
CN1C(=O)[C@]2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)C |r|
COc1c(oc2c3ccoc3ccc2c1=O)-c1ccc2OCOc2c1
O=c1cc(oc2c3ccoc3ccc12)-c1ccccc1
C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
CN(C)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|
C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl
O[C@H]1CN(CC[C@@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r|
Fc1ccc2nccc(C3CCN(CC3)C(=O)C(=O)Nc3ccc(Cl)cc3)c2c1
[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|
OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
[H][C@@]12Cn3cc(C(=O)NCc4ccc5nonc5c4)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|
[H][C@@]12Cn3cc(C(=O)NCc4ccc(F)nc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|
C[C@@H](Nc1c(Cl)c(C)nc2cc(F)c(nc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)C#N |r|
C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
[H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r|
c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3
Nc1cc(Cc2ccccc2)c2nn[nH]c2n1
Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F
Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r|
Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F
Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br
Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1
[H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CCC(=O)N1CCC#N)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(ncc3[C@@]1(CCN2C(=O)[C@@H]1CCC(=O)N1CCC#N)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(cnc3[C@@]1(CCN2C(=O)[C@@H]1CCC(=O)N1CCC#N)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCC(=O)N1CCC#N |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)C(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
CCCCCCCCC1CCc2cc(CCC(N)(CO)CO)ccc2C1
CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 |r|
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(c(F)c1)C(F)(F)F)c1nc(CO)cs1 |r|
NC[C@H](NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1nc(CO)cs1 |r|
CCC([C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F)c1nc2ncc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(5.53,-5.77,;5.53,-7.31,;6.87,-8.07,;6.87,-9.62,;8.2,-10.39,;8.2,-11.94,;6.87,-12.7,;5.53,-11.94,;5.53,-10.39,;6.87,-14.25,;5.52,-15.02,;5.52,-16.57,;6.87,-17.35,;8.21,-16.56,;9.55,-17.33,;10.88,-16.55,;10.87,-15,;9.53,-14.24,;8.21,-15.02,;12.2,-14.22,;13.54,-14.98,;12.19,-12.68,;13.53,-13.44,;8.2,-7.31,;8.2,-5.76,;9.66,-5.28,;10.29,-3.87,;11.82,-3.71,;12.72,-4.96,;14.26,-4.78,;12.09,-6.36,;10.56,-6.53,;9.66,-7.77,)|
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F
COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1
COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 |r|
C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F
CCC(C)(C)C(O)=O
COc1cc-2c(C[C@@H](C(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCC(O)=O |r|
CCN1c2c3cc([nH]c3ncc2CN(C1=O)c4c(c(cc(c4F)OC)OC)F)CN5CCOCC5
CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1
CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1
CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1
COc1cc2CC(CC3(F)CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1
CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
[H][C@@]12CCc3cc(ccc3[C@@]1(CCN2N[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)|
Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F
NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:20,(63.68,-24.41,;63.98,-25.92,;65.43,-26.42,;62.82,-26.93,;63.11,-28.45,;61.95,-29.46,;62.24,-30.97,;60.5,-28.95,;59.15,-29.7,;58.03,-28.65,;58.68,-27.25,;60.21,-27.44,;61.37,-26.44,;56.52,-28.94,;56.01,-30.39,;54.51,-30.68,;53.5,-29.52,;52.49,-28.35,;51.33,-29.37,;52.34,-30.53,;49.79,-29.26,;49.31,-27.8,;47.77,-27.8,;47.3,-29.27,;48.56,-30.17,;48.56,-31.71,;47.23,-32.48,;45.9,-31.71,;47.23,-34.02,;48.56,-34.8,;49.9,-34.02,;49.9,-32.47,;51.23,-31.7,;50.21,-26.55,;51.61,-25.92,;50.36,-25.02,;54,-28.06,;55.51,-27.78,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1 |c:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1 |c:20,(62.93,-39.17,;63.22,-40.68,;64.68,-41.18,;62.06,-41.69,;62.36,-43.21,;61.2,-44.21,;61.49,-45.72,;59.75,-43.71,;58.4,-44.45,;57.28,-43.4,;57.93,-42.01,;59.46,-42.2,;60.61,-41.19,;55.77,-43.69,;55.26,-45.14,;53.76,-45.43,;52.75,-44.27,;51.74,-43.11,;50.57,-44.12,;51.59,-45.29,;49.04,-44.02,;48.56,-42.55,;47.02,-42.56,;46.54,-44.02,;47.8,-44.93,;47.81,-46.47,;46.48,-47.24,;45.15,-46.47,;46.48,-48.78,;47.81,-49.55,;49.15,-48.78,;49.14,-47.23,;50.48,-46.46,;49.45,-41.3,;50.86,-40.67,;49.61,-39.77,;53.25,-42.82,;54.76,-42.53,)|
OC(=O)c1ccc(nc1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:15,(83.26,-41.06,;82.76,-42.51,;83.77,-43.67,;81.25,-42.8,;80.74,-44.26,;79.23,-44.55,;78.23,-43.38,;78.72,-41.93,;80.23,-41.63,;76.71,-43.66,;76.21,-45.11,;74.71,-45.4,;73.7,-44.24,;72.68,-43.08,;71.52,-44.09,;72.53,-45.26,;69.98,-43.99,;69.5,-42.52,;67.96,-42.53,;67.49,-43.99,;68.75,-44.9,;68.76,-46.44,;67.43,-47.21,;66.09,-46.44,;67.42,-48.75,;68.76,-49.52,;70.1,-48.75,;70.09,-47.2,;71.42,-46.43,;70.4,-41.28,;71.8,-40.65,;70.56,-39.74,;74.2,-42.79,;75.71,-42.5,)|
OC(=O)c1ccc(cn1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:15,(18.17,-3.86,;17.66,-5.32,;18.67,-6.48,;16.15,-5.61,;15.64,-7.07,;14.13,-7.36,;13.13,-6.18,;13.63,-4.74,;15.14,-4.44,;11.62,-6.47,;11.11,-7.92,;9.61,-8.21,;8.6,-7.05,;7.59,-5.89,;6.42,-6.9,;7.44,-8.07,;4.89,-6.8,;4.41,-5.33,;2.87,-5.34,;2.4,-6.8,;3.65,-7.71,;3.66,-9.25,;2.33,-10.02,;1,-9.25,;2.33,-11.56,;3.66,-12.33,;5,-11.56,;4.99,-10.01,;6.33,-9.24,;5.3,-4.08,;6.71,-3.45,;5.46,-2.55,;9.1,-5.6,;10.61,-5.31,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:20,(64.45,-5.17,;63.95,-6.63,;64.97,-7.78,;62.44,-6.93,;61.95,-8.39,;60.44,-8.69,;59.43,-7.53,;57.92,-7.82,;56.92,-6.65,;57.41,-5.2,;58.92,-4.91,;59.93,-6.08,;61.43,-5.78,;55.4,-6.94,;54.9,-8.39,;53.4,-8.68,;52.38,-7.52,;51.37,-6.36,;50.21,-7.37,;51.22,-8.53,;48.67,-7.26,;48.19,-5.8,;46.65,-5.8,;46.18,-7.27,;47.44,-8.17,;47.44,-9.71,;46.11,-10.48,;44.78,-9.72,;46.11,-12.03,;47.45,-12.8,;48.78,-12.03,;48.78,-10.48,;50.11,-9.7,;49.09,-4.55,;50.49,-3.92,;49.24,-3.02,;52.88,-6.07,;54.4,-5.78,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)CC1 |c:20,(85.71,-10.01,;85.22,-11.47,;86.23,-12.63,;83.71,-11.78,;83.21,-13.24,;81.7,-13.54,;80.69,-12.38,;79.18,-12.67,;78.18,-11.5,;78.67,-10.05,;80.18,-9.76,;81.19,-10.92,;82.69,-10.62,;76.67,-11.79,;76.16,-13.24,;74.66,-13.53,;73.65,-12.37,;72.63,-11.2,;71.47,-12.21,;72.48,-13.38,;69.93,-12.11,;69.45,-10.65,;67.91,-10.65,;67.44,-12.12,;68.7,-13.02,;68.71,-14.56,;67.38,-15.33,;66.04,-14.56,;67.38,-16.87,;68.71,-17.65,;68.71,-19.19,;70.05,-16.87,;70.04,-15.32,;71.37,-14.55,;70.35,-9.4,;71.76,-8.77,;70.51,-7.87,;74.15,-10.91,;75.66,-10.62,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1 |c:20,(20.66,-21.73,;20.16,-23.19,;21.18,-24.34,;18.65,-23.49,;18.16,-24.95,;16.65,-25.25,;15.64,-24.09,;14.13,-24.38,;13.12,-23.21,;13.62,-21.76,;15.13,-21.47,;16.14,-22.64,;17.64,-22.34,;11.61,-23.5,;11.11,-24.95,;9.6,-25.24,;8.59,-24.08,;7.58,-22.92,;6.42,-23.93,;7.43,-25.09,;4.88,-23.82,;4.4,-22.36,;2.86,-22.36,;2.39,-23.83,;3.65,-24.73,;3.65,-26.27,;2.32,-27.04,;.99,-26.27,;2.32,-28.59,;3.66,-29.36,;4.99,-28.59,;4.99,-27.04,;6.32,-26.26,;5.3,-21.11,;6.7,-20.48,;5.45,-19.58,;9.09,-22.63,;10.61,-22.34,)|
OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F |c:20,(46.96,-23.25,;46.47,-24.71,;47.49,-25.87,;44.96,-25.01,;44.46,-26.48,;42.95,-26.78,;41.94,-25.62,;40.43,-25.91,;39.43,-24.74,;39.93,-23.29,;41.43,-22.99,;42.44,-24.16,;43.95,-23.86,;37.92,-25.03,;37.41,-26.48,;35.91,-26.76,;34.9,-25.6,;33.89,-24.44,;32.72,-25.45,;33.74,-26.62,;31.19,-25.35,;30.71,-23.88,;29.16,-23.89,;28.69,-25.36,;29.95,-26.26,;29.96,-27.8,;28.63,-28.57,;27.29,-27.8,;28.63,-30.11,;29.96,-30.88,;31.3,-30.11,;31.29,-28.56,;32.62,-27.79,;31.6,-22.64,;33.01,-22.01,;31.76,-21.1,;35.4,-24.15,;36.91,-23.86,;42.45,-28.23,;43.47,-29.39,;40.97,-27.83,;41.68,-29.57,)|
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r|
CCN(C(=O)C1CC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1C)N1CCN(CC2CC2)CC1
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C
COc1nc(ccc1-n1cnc(C)c1)C1=NOC(C2CC2)C(N1)c1ccc(Cl)cc1 |t:16|
[H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(68.73,-15.28,;67.41,-14.52,;66.06,-13.77,;66.06,-12.22,;67.4,-11.45,;68.74,-12.22,;68.74,-13.75,;67.4,-9.91,;68.73,-9.14,;70.06,-9.9,;71.38,-9.13,;72.72,-9.89,;74.05,-9.11,;75.39,-9.89,;75.39,-11.43,;74.05,-12.2,;72.72,-11.43,;71.39,-12.21,;70.06,-11.44,;67.41,-16.06,;68.75,-16.82,;66.09,-16.84,;66.09,-18.38,;67.43,-19.14,;68.76,-18.36,;67.43,-20.69,;66.1,-21.46,;64.77,-20.69,;63.43,-21.47,;62.1,-20.7,;62.1,-19.16,;60.77,-18.39,;60.77,-16.85,;63.43,-18.39,;64.77,-19.15,)|
COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1ncc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ccc(cc1-c1ncc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)-c1c(C)cc(cc1C)C(O)=O |r|
[H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cnc1-c1cc(ccc1OC)-c1ccc(cc1C)C(O)=O)C(F)(F)F |r|
[H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1cc(CCC(O)=O)ccc1OC)C(F)(F)F |r|
COc1ccc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H](C1)C(O)=O |r,wU:43.50,17.25,18.26,wD:41.45,14.15,(-4.15,6.78,;-2.82,7.55,;-1.49,6.78,;-.15,7.55,;1.18,6.78,;1.18,5.24,;-.15,4.47,;-1.49,5.24,;-2.82,4.47,;-4.15,5.24,;-5.49,4.47,;-5.49,2.93,;-4.15,2.16,;-2.82,2.93,;.05,1.27,;1.52,1.74,;2.42,.5,;1.52,-.75,;1.52,-2.29,;.05,-2.76,;-.85,-1.52,;-2.39,-1.52,;.05,-.27,;3,-2.69,;4.09,-1.6,;5.58,-2,;5.98,-3.48,;4.89,-4.57,;3.4,-4.17,;5.29,-6.06,;4.2,-7.15,;6.78,-6.46,;5.69,-7.55,;6.67,-.91,;8.16,-1.3,;6.27,.58,;7.76,.18,;-6.82,2.16,;-8.16,2.93,;-6.82,.62,;-8.16,1.39,;2.51,4.47,;2.91,2.98,;4.4,3.38,;4,4.87,;5.73,2.61,;7.07,3.38,;5.73,1.07,)|
COc1ncc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(F)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)C(O)=O |r|
COc1ncc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(F)cc(c1)C(F)(F)F)C(F)(F)F)-c1c(C)cc(cc1C)C(O)=O |r|
C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CCC[C@@H]23)CC1 |r,wU:4.4,32.36,wD:1.0,36.39,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;5.97,3.43,;4.73,4.34,;3.48,3.43,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
C[C@@H]1CC2C(Nc3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1)C(O)=O |r|
CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|
C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|
[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCc2cn(CCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc3cccc(Cl)c3)nn2)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 |r|
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|
CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC
C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2ncccc2[nH]1
C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2cnccc2[nH]1
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|
CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO
CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r|
Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1
[H][C@]12CN(CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2)C(=O)C1(CC1)C#N |r|
[H][C@]12CN(CC(F)(F)F)CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2 |r|
C[C@@H](Nc1nc(C)nc2cc(O)c(O[C@H]3CCOC3)cc12)c1cc(N)cc(c1)C(F)(F)F |r|
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
C[C@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|
C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)CN=C(N)O1 |r,t:22|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20|
CN(C)C(=O)c1ccc2cccccc12
C(N1CCCCC1)c1ccc2cccc2cc1
OC(=O)c1ccc2ccc(C(=O)c3ccccc3)c2cc1
OCCNC(=O)c1ccc2ccc(C(=O)c3ccccc3)c2cc1
CN1CCN(CC1)C(=O)c1ccc2ccc(C(=O)c3ccccc3)c2cc1
COc1cccc(c1)C(=O)c1ccc2ccc(ccc12)C(O)=O
OC(=O)c1ccc2ccc(C(=O)c3ccc(cc3)C(F)(F)F)c2cc1
NC(=O)C1CCN(CC1)C(=O)c1ccc2cccccc12
COCC(=O)Nc1cc2cccccc2c1
OC(=O)c1ccc2c(cc(C(=O)c3ccccc3)c2cc1)C(=O)c1ccccc1
Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C)F
[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|
CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(ccnc3Cl)C)F)CO
CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(cnc(c3Cl)OC)C)F)CO
C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r|
CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C)n1
CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C(C)=O)n1
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2 |r,wD:17.17,19.20,(9.31,1.6,;8.54,.26,;9.31,-1.07,;10.08,.26,;7,.26,;5.97,1.41,;4.57,.78,;4.73,-.75,;6.23,-1.07,;3.23,1.55,;3.23,3.09,;1.9,3.86,;.57,3.09,;-.77,3.86,;-2.1,3.09,;-3.43,3.86,;-3.43,5.4,;-4.77,3.09,;-6.1,3.86,;-6.89,2.51,;-7.97,3.6,;-5.55,1.74,;-8.37,2.11,;-9.46,3.2,;-9.91,2.11,;-8.77,.62,;-2.1,1.55,;-.76,.78,;-.76,-.76,;-2.09,-1.53,;-3.43,-.76,;-3.43,.78,;-4.76,-1.54,;-4.75,-3.08,;-6.08,-3.86,;-7.41,-3.09,;-7.43,-1.56,;-6.1,-.78,;-8.75,-3.86,;-10.08,-3.09,;-8.75,-5.4,;-10.08,-4.63,;.57,1.55,;1.9,.78,;1.13,1.92,;2.14,1.47,)|
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CCOCC3)cc(OC)cc2o1
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Cn1cc2c3cc(ccc3n(-c3ccc(cc3)C(F)(F)F)c2n1)C(O)=O
Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
FC1(CC1)C(=O)NC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |(5.13,9.05,;4.36,7.71,;4.36,6.17,;5.77,7.09,;3.12,8.62,;3.28,10.15,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(F)C[C@H]1C(=O)N[C@H]1CC[C@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,8.8,4.5,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;2.9,1.72,;2.9,.18,;1.57,-.59,;.23,.18,;.23,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|
FC1(F)C[C@H]1C(=O)N1CCC2(CCC(CC2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1 |r|
FC1(F)C[C@H]1C(=O)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
O=C(CC#N)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)C[C@H]1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:30.32,1.1,33.37,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C
CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1 |r|
FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1
Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br
Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O |t:10,16|
[H][C@@]12CN(c3cc(OC)c(cc3NC(=O)C#CC)-c3cc4n(CC)c(=O)c(cc4cn3)-c3c(Cl)c(OC)cc(OC)c3Cl)[C@@]([H])(CO1)C2 |r,wU:43.47,1.0,(-10.43,2.76,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-3.99,3.85,;-2.66,3.08,;-1.33,3.85,;0,3.08,;-2.66,1.54,;-3.99,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,-1.54,;-9.34,-2.3,;-10.68,-3.06,;-1.33,.77,;0,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4.01,3.85,;4.01,.77,;5.34,1.54,;4.01,-.77,;2.67,-1.54,;1.33,-.77,;0,-1.54,;-1.33,-.77,;5.34,-1.54,;6.67,-.77,;6.67,.77,;8.01,-1.54,;9.34,-.77,;10.68,-1.54,;8.01,-3.08,;6.67,-3.85,;6.67,-5.39,;8.01,-6.16,;5.34,-3.08,;4.01,-3.85,;-6.67,5.39,;-5.33,6.16,;-8,6.16,;-9.34,5.39,;-8.24,4.94,)|
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)ncc2c1 |r|
OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cccnc1-c1ccncc1
Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC
[H][C@@]12COc3cc4nc(C)nc(N[C@H](C)c5cccc(C(F)F)c5F)c4cc3N1CCN(C2)C(=O)[C@H]1CCOC1 |r|
CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
CC(C)C[C@@H](NC(=O)C1(CCCCC1)C(F)(F)F)C(=O)Nc1nnc(Cc2ccc(cc2)C#N)s1 |r|
COc1cc(cc(OC)c1C)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)\C=C\c1ccc(F)cc1Cl)C(N)=O)C(O)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r,wU:9.9,16.16,5.5,3.3,56.60,66.71,wD:87.93,18.18,14.44,30.36,43.48,28.30,1.0,62.86,c:11,(63.35,-3.25,;62.05,-4.02,;62.05,-2.49,;60.7,-1.71,;62.03,-.93,;59.38,-2.49,;58.31,-3.56,;59.38,-.95,;60.7,-.18,;58.06,-.19,;58.03,1.33,;55.43,-1.7,;54.11,-2.46,;52.78,-1.67,;54.08,-4,;55.41,-4.76,;56.73,-4.01,;56.73,-5.55,;58.06,-4.79,;58.06,-6.32,;56.71,-7.08,;55.41,-6.3,;56.71,-8.6,;58.03,-9.36,;58.03,-10.9,;56.69,-11.66,;55.36,-10.89,;55.38,-9.36,;59.38,-4.02,;60.7,-3.25,;60.7,-4.79,;61.47,-6.12,;62.8,-5.37,;59.61,-5.86,;59.61,-7.39,;60.94,-8.17,;58.27,-8.16,;56.76,-2.48,;57.5,-1.14,;58.15,-2.12,;52.76,-4.74,;51.43,-3.97,;51.45,-2.44,;50.11,-4.72,;50.09,-6.25,;51.42,-7.04,;52.77,-6.29,;51.39,-8.59,;52.72,-9.39,;52.7,-10.94,;51.34,-11.69,;54.03,-11.73,;54,-13.28,;55.33,-14.08,;55.31,-15.62,;56.64,-16.42,;56.61,-17.97,;55.26,-18.72,;53.93,-17.93,;53.96,-16.38,;52.58,-18.68,;51.25,-17.89,;49.9,-18.64,;48.57,-17.84,;47.21,-18.6,;47.19,-20.15,;45.88,-17.8,;45.91,-16.25,;44.53,-18.56,;43.2,-17.76,;43.23,-16.21,;41.85,-18.52,;40.52,-17.72,;39.17,-18.47,;37.84,-17.68,;36.49,-18.43,;36.47,-19.98,;35.12,-20.74,;37.81,-20.77,;39.15,-20.02,;40.49,-20.81,;49.87,-20.19,;51.2,-20.98,;48.52,-20.94,;57.94,-18.76,;57.92,-20.31,;59.3,-18.01,;48.79,-3.93,;48.79,-2.41,;47.49,-1.63,;46.14,-2.39,;47.49,-.11,;46.16,.66,;46.16,2.19,;44.83,-.11,;44.82,1.42,;47.47,-4.69,;47.47,-6.23,;46.11,-6.99,;44.79,-6.2,;44.81,-4.67,;46.14,-3.92,)|
Fc1cc(Cc2cc(ccn2)-n2ncc3c2CCNC3=O)cc(c1)C(F)(F)F
NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
COCCCO[C@H]1CN([C@@H](CC(O)=O)[C@@H]1C)c1ccc(O[C@@H]2CCN(C[C@H]2C)c2cc(OC)ncc2Cl)cc1 |r|
COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)(C)C)c(NC(=O)Nc2ccccc2F)c1
Cc1ccc(NC(=O)Nc2cc(cc3[C@@H]([C@H](Oc23)C=C)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1 |r|
Cc1ccc(NC(=O)Nc2cc(cc3[C@H](c4ccccc4)C(Oc23)(C=C)C=C)-c2ccccc2-c2nn[nH]n2)cc1 |r|
C[C@H]1C\C=C/[C@@H](c2ccccc2)c2cc(cc(NC(=O)Nc3ccc(C)cc3)c2O1)-c1ccccc1-c1nn[nH]n1 |r,c:3|
C[C@H]1CCC[C@@H](c2ccccc2)c2cc(cc(NC(=O)Nc3ccc(C)cc3)c2O1)-c1ccccc1-c1nn[nH]n1 |r|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Cc1ccc(NC(=O)Nc2cc(cc3C(CCCOc23)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1
FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2)nn1
FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncccn2)nn1
FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncccn2)nn1
COCc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1
Cc1ccc(cc1)-c1cc([nH]c(=O)c1-c1nn[nH]n1)-c1ccc(cc1)C1=CCC(C)(C)CC1 |t:29|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(cc1F)N1CCC2(CCN(CC2)C(=O)CN2Cc3cc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4cc3C2)CC1 |r|
C[C@H]1CC2(CN1c1ccc(C#N)c(Cl)c1)CCN(CC2)c1ccc(cc1)C(=O)N1CCN(CC1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1 |r|
CC1(C)Cn2nc(c(c2CO1)-c1ccnc2[nH]ncc12)-c1ccc(F)cn1 |(15.2,-5.26,;14.79,-6.74,;16.27,-7.16,;13.46,-5.96,;12.12,-6.71,;10.66,-6.22,;9.74,-7.46,;10.63,-8.71,;12.1,-8.25,;13.43,-9.04,;14.77,-8.28,;10.22,-10.2,;8.72,-10.58,;8.31,-12.06,;9.39,-13.16,;10.88,-12.78,;12.2,-13.56,;13.37,-12.68,;12.83,-11.23,;11.29,-11.3,;8.2,-7.44,;7.42,-8.77,;5.88,-8.75,;5.12,-7.42,;3.58,-7.4,;5.91,-6.08,;7.45,-6.1,)|