731 SMILES Strings for Phosphatidylinositol 4-kinase beta

Compound Name
SMILES String
Oc1cc(ccc1F)-n1c2c3cc[nH]c3ncc2ccc1=O
Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(CC(F)(F)F)c2)n1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)c1)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(-4.52,5,;-4.52,3.46,;-5.85,2.69,;-5.85,1.15,;-4.52,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5.01,;-.52,5.77,;.82,5.01,;2.15,5.78,;.82,3.47,;-.52,2.7,;2.15,2.69,;2.15,1.15,;3.61,.68,;4.52,1.92,;6.06,1.92,;3.61,3.17,;-4.52,-1.16,;-6.06,-1.16,;-2.98,-1.16,;-4.52,-2.7,;-3.19,-3.47,;-1.85,-2.7,;-.52,-3.47,;-.52,-5.01,;.82,-5.78,;-1.85,-5.78,;-3.19,-5.01,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.30,wD:31.34,(-5.65,4.23,;-5.65,2.69,;-6.98,1.92,;-6.98,.38,;-5.65,-.39,;-4.31,.38,;-4.31,1.92,;-2.98,2.7,;-2.98,4.24,;-1.65,5,;-.31,4.24,;1.02,5.01,;-.31,2.7,;-1.65,1.93,;1.02,1.92,;1.02,.38,;2.49,-.09,;3.39,1.15,;4.93,1.15,;5.7,2.49,;4.93,3.82,;6.47,3.82,;7.19,2.09,;2.49,2.4,;-5.65,-1.93,;-7.19,-1.93,;-4.11,-1.93,;-5.65,-3.47,;-4.31,-4.24,;-2.98,-3.47,;-1.65,-4.24,;-1.65,-5.78,;-.31,-6.55,;-2.98,-6.55,;-4.31,-5.78,)|
Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.27,wD:28.31,(6.1,2.69,;4.77,1.92,;3.44,2.7,;2.1,1.92,;2.1,.39,;3.44,-.39,;4.77,.39,;.77,2.7,;-.56,1.93,;-1.9,2.7,;-1.9,4.24,;-.56,5,;.77,4.24,;2.1,5.01,;-3.23,1.92,;-3.23,.38,;-4.56,-.39,;-5.9,.38,;-5.9,1.92,;-4.56,2.69,;-4.56,4.23,;-4.56,-1.93,;-6.1,-1.93,;-3.02,-1.93,;-4.56,-3.47,;-3.23,-4.24,;-1.9,-3.47,;-.56,-4.24,;-.56,-5.78,;.77,-6.55,;-1.9,-6.55,;-3.23,-5.78,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(-4.52,5,;-4.52,3.46,;-5.85,2.69,;-5.85,1.15,;-4.52,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5.01,;-.52,5.77,;.82,5.01,;2.15,5.78,;.82,3.47,;-.52,2.7,;2.15,2.69,;2.15,1.15,;3.61,.68,;4.52,1.92,;6.06,1.92,;3.61,3.17,;-4.52,-1.16,;-6.06,-1.16,;-2.98,-1.16,;-4.52,-2.7,;-3.19,-3.47,;-1.85,-2.7,;-.52,-3.47,;-.52,-5,;.82,-5.78,;-1.85,-5.77,;-3.19,-5,)|
CCc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCOC1 |r|
Cc1cc(sn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
CC(C)c1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.96,1.93,;6.42,1.93,;5.51,.68,;4.05,1.15,;4.05,2.69,;5.51,3.17,;2.71,3.47,;1.38,2.69,;.05,3.47,;.05,5,;1.38,5.78,;2.71,5,;4.05,5.78,;-1.29,2.69,;-1.29,1.15,;-2.62,.38,;-3.96,1.15,;-3.96,2.69,;-2.62,3.47,;-2.62,5,;-2.62,-1.15,;-4.16,-1.15,;-1.08,-1.15,;-2.62,-2.69,;-3.96,-3.47,;-3.96,-5,;-5.29,-5.78,;-6.62,-5,;-7.96,-5.78,;-6.62,-3.47,;-5.29,-2.69,)|
CCc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(5.15,-.65,;4.38,.68,;2.92,1.16,;2.92,2.7,;4.38,3.17,;5.29,1.93,;1.59,3.47,;.25,2.7,;-1.08,3.47,;-1.08,5.01,;.25,5.78,;1.59,5.01,;2.92,5.78,;-2.42,2.7,;-2.42,1.16,;-3.75,.39,;-5.08,1.16,;-5.08,2.7,;-3.75,3.47,;-3.75,5.01,;-3.75,-1.15,;-5.29,-1.15,;-2.21,-1.15,;-3.75,-2.69,;-2.42,-3.46,;-1.08,-2.69,;.25,-3.46,;.25,-5,;1.59,-5.77,;-1.08,-5.78,;-2.42,-5,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC(O)C1 |(6.66,-.88,;5.89,.45,;6.8,1.7,;5.89,2.95,;4.43,2.47,;4.43,.93,;3.09,3.24,;1.76,2.47,;.43,3.24,;.43,4.78,;1.76,5.55,;3.09,4.78,;4.43,5.55,;-.91,2.47,;-.91,.93,;-2.24,.16,;-3.58,.93,;-3.58,2.47,;-2.24,3.24,;-2.24,4.78,;-2.24,-1.38,;-3.78,-1.38,;-.7,-1.38,;-2.24,-2.92,;-3.58,-3.69,;-5.06,-3.29,;-5.46,-4.78,;-6.8,-5.55,;-3.97,-5.18,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,(6.66,-.88,;5.89,.45,;6.8,1.7,;5.89,2.95,;4.43,2.47,;4.43,.93,;3.09,3.24,;1.76,2.47,;.43,3.24,;.43,4.78,;1.76,5.55,;3.09,4.78,;4.43,5.55,;-.91,2.47,;-.91,.93,;-2.24,.16,;-3.58,.93,;-3.58,2.47,;-2.24,3.24,;-2.24,4.78,;-2.24,-1.38,;-.7,-1.38,;-3.78,-1.38,;-2.24,-2.92,;-3.58,-3.69,;-5.06,-3.29,;-5.46,-4.78,;-6.8,-5.55,;-3.97,-5.18,)|
Cc1nnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(5.15,-.34,;4.38,1,;5.29,2.24,;4.38,3.49,;2.92,3.01,;2.92,1.47,;1.59,3.78,;.25,3.01,;-1.08,3.78,;-1.08,5.32,;.25,6.09,;1.59,5.32,;2.92,6.09,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC2(C[C@H](O)C2)C1 |r,wU:24.26,28.31,(5.15,-7.55,;4.38,-6.22,;5.29,-4.97,;4.38,-3.73,;2.92,-4.2,;2.92,-5.74,;1.59,-3.43,;.25,-4.2,;-1.08,-3.43,;-1.08,-1.89,;.25,-1.12,;1.59,-1.89,;2.92,-1.12,;-2.42,-4.2,;-2.42,-5.74,;-3.75,-6.51,;-5.08,-5.74,;-5.08,-4.2,;-3.75,-3.43,;-3.75,-1.89,;-3.75,-8.05,;-2.21,-8.05,;-5.29,-8.05,;-3.75,-9.59,;-2.42,-10.36,;-.93,-9.97,;-.53,-11.45,;-.13,-12.94,;1.36,-12.54,;2.69,-13.31,;.96,-11.05,;-2.02,-11.85,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCCO
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccncc1)S(=O)(=O)NCCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:24.26,wD:27.30,(5.5,-.1,;4.73,1.23,;5.2,2.69,;3.96,3.6,;2.71,2.69,;3.19,1.23,;1.38,3.47,;.04,2.69,;-1.29,3.47,;-1.29,5,;.04,5.78,;1.38,5,;2.71,5.78,;-2.62,2.69,;-2.62,1.15,;-3.96,.38,;-5.29,1.15,;-5.29,2.69,;-3.96,3.47,;-3.96,5,;-3.96,-1.15,;-2.42,-1.15,;-5.5,-1.15,;-3.96,-2.69,;-2.62,-3.47,;-1.29,-2.69,;.04,-3.47,;.04,-5,;1.38,-5.78,;2.71,-5,;-1.29,-5.78,;-2.62,-5,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC2(C1)CCOC2
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCOC1=O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:27.30,wD:24.26,(7.39,-.1,;6.62,1.23,;5.08,1.23,;4.61,2.69,;5.85,3.6,;7.1,2.69,;3.27,3.47,;1.94,2.69,;.61,3.47,;.61,5,;1.94,5.78,;3.27,5,;4.61,5.78,;-.73,2.69,;-.73,1.15,;-2.06,.38,;-3.39,1.15,;-3.39,2.69,;-2.06,3.47,;-2.06,5,;-2.06,-1.15,;-3.6,-1.15,;-.52,-1.15,;-2.06,-2.69,;-3.39,-3.47,;-4.73,-2.69,;-6.06,-3.47,;-6.06,-5,;-7.39,-5.78,;-4.73,-5.78,;-3.39,-5,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1CNC[C@H]1O |r|
C[C@H]1COCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
C[C@@H]1COCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC(C)(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCCC1(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CC1
COCC(NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1)C(C)C
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1CCOCC1
C[C@H](NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1)C1CC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCC[C@H]1CO |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CCC[C@H](O)C1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCNC(=O)C1
COCC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
CN(C)C1CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
COC[C@@H]1COCCN1S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CCCC(C)(O)CC1
CN(C)[C@H]1CCN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1CCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@@H]1CCOC1 |r|
CCONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCCOC1 |r|
C[C@@H](O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Cc1nn(C)cc1-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(3.91,-5.14,;5.24,-4.37,;6.7,-4.85,;7.61,-3.6,;9.15,-3.6,;6.7,-2.36,;5.24,-2.83,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CCOC1
Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(C)c2)n1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)NOCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(CC(F)(F)F)no1)S(=O)(=O)NCC(C)(C)O
CCCc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(C)(C)C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.29,wD:30.33,(-4.24,5,;-4.24,3.46,;-5.57,2.69,;-5.57,1.15,;-4.24,.38,;-2.91,1.15,;-2.91,2.69,;-1.57,3.46,;-1.57,5,;-.24,5.77,;1.1,5,;2.43,5.77,;1.1,3.46,;-.24,2.69,;2.43,2.69,;2.43,1.15,;3.89,.68,;4.8,1.92,;3.89,3.17,;4.29,-.81,;5.78,-1.21,;3.2,-1.9,;4.69,-2.3,;-4.24,-1.15,;-2.7,-1.16,;-5.78,-1.15,;-4.24,-2.69,;-2.91,-3.46,;-1.57,-2.69,;-.24,-3.46,;-.24,-5,;1.1,-5.77,;-1.57,-5.77,;-2.91,-5,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C1CC1)S(=O)(=O)NCC(C)(C)O
CC(C)c1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(C)(C)C)S(=O)(=O)NCC(C)(C)O
CC(C)c1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,(5.5,-7.2,;4.73,-5.87,;3.19,-5.87,;2.71,-4.41,;3.96,-3.5,;5.2,-4.41,;1.38,-3.64,;.04,-4.41,;-1.29,-3.64,;-1.29,-2.1,;.04,-1.33,;1.38,-2.1,;2.71,-1.33,;-2.62,-4.41,;-2.62,-5.95,;-3.96,-6.72,;-5.29,-5.95,;-5.29,-4.41,;-3.96,-3.64,;-3.96,-2.1,;-3.96,-8.26,;-2.42,-8.26,;-5.5,-8.26,;-3.96,-9.8,;-2.62,-10.57,;-2.22,-12.05,;-.74,-11.66,;.6,-12.43,;-1.14,-10.17,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1C[C@H](O)C1 |r,wU:24.26,wD:26.29,(5.5,-7.2,;4.73,-5.87,;3.19,-5.87,;2.71,-4.41,;3.96,-3.5,;5.2,-4.41,;1.38,-3.64,;.04,-4.41,;-1.29,-3.64,;-1.29,-2.1,;.04,-1.33,;1.38,-2.1,;2.71,-1.33,;-2.62,-4.41,;-2.62,-5.95,;-3.96,-6.72,;-5.29,-5.95,;-5.29,-4.41,;-3.96,-3.64,;-3.96,-2.1,;-3.96,-8.26,;-2.42,-8.26,;-5.5,-8.26,;-3.96,-9.8,;-2.62,-10.57,;-1.14,-10.17,;-.74,-11.66,;.6,-12.43,;-2.22,-12.05,)|
C[C@H](O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1
COC1(C)CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1CCNC(=O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCCO1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCOCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC(CO)C1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(F)(F)F
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC(F)(F)C1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CC1
COC1(C)CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC(CO)C1CCOC1
CON(C)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC[C@@H](O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1CCNC(=O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCC1
CCN1CCCC1CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC(C)(O)C1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCN
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC[C@H](O)C1 |r|
CC(C)N1CCC(CC1)NS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCCCO1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(F)F
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N1CC(CO)C1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)(F)F
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCCO1 |r|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(CO)no1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(=O)N1CCOCC1)S(=O)(=O)NCC(C)(C)O
CN(C)C(=O)c1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
CCCONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
CC(C)ONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
CONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOC(C)(C)C
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(F)(F)F
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCOCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCOCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCCC1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCOCC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;7.81,1.31,;6.91,2.56,;5.45,2.08,;5.45,.54,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)COC1
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CCCO1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccn(C)c1)S(=O)(=O)NCC(C)(C)O
Cc1nc(cs1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnn(c1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1c(cnn1C)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1oncc1-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cn(C)nn1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccno1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(F)(F)F)S(=O)(=O)NCC(C)(C)O
CN(C)Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(no1)C(F)F)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.28,wD:29.32,(-2.34,5,;-2.34,3.46,;-3.68,2.69,;-3.68,1.15,;-2.34,.38,;-1.01,1.15,;-1.01,2.69,;.33,3.47,;.33,5,;1.66,5.77,;2.99,5,;4.33,5.78,;2.99,3.47,;1.66,2.7,;4.33,2.69,;4.33,1.15,;5.79,.68,;6.7,1.92,;5.79,3.17,;6.19,-.81,;5.1,-1.9,;7.68,-1.21,;-2.34,-1.16,;-3.88,-1.16,;-.8,-1.16,;-2.34,-2.7,;-3.68,-3.47,;-3.68,-5.01,;-5.01,-5.78,;-6.34,-5.01,;-7.68,-5.78,;-6.34,-3.47,;-5.01,-2.69,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(no1)C(F)F)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)Nc1cccc(C)n1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](CO)C1 |r,wU:24.26,26.29,(4.78,-6.84,;4.01,-5.51,;4.48,-4.05,;3.24,-3.14,;1.99,-4.05,;2.47,-5.51,;.66,-3.28,;-.68,-4.05,;-2.01,-3.28,;-2.01,-1.74,;-.68,-.97,;.66,-1.74,;1.99,-.97,;-3.34,-4.05,;-3.34,-5.59,;-4.68,-6.36,;-6.01,-5.59,;-6.01,-4.05,;-4.68,-3.28,;-4.68,-1.74,;-4.68,-7.9,;-6.22,-7.9,;-3.14,-7.9,;-4.68,-9.44,;-3.34,-10.21,;-2.94,-11.69,;-1.46,-11.29,;-.12,-12.06,;1.21,-11.29,;-1.86,-9.81,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1C[C@H](CO)C1 |r,wU:24.26,wD:26.29,(4.78,-6.84,;4.01,-5.51,;4.48,-4.05,;3.24,-3.14,;1.99,-4.05,;2.47,-5.51,;.66,-3.28,;-.68,-4.05,;-2.01,-3.28,;-2.01,-1.74,;-.68,-.97,;.66,-1.74,;1.99,-.97,;-3.34,-4.05,;-3.34,-5.59,;-4.68,-6.36,;-6.01,-5.59,;-6.01,-4.05,;-4.68,-3.28,;-4.68,-1.74,;-4.68,-7.9,;-6.22,-7.9,;-3.14,-7.9,;-4.68,-9.44,;-3.34,-10.21,;-1.86,-9.81,;-1.46,-11.29,;-.12,-12.06,;1.21,-11.29,;-2.94,-11.69,)|
Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:25.27,wD:28.31,(8.67,3.46,;7.34,2.69,;6,3.47,;4.67,2.69,;4.67,1.16,;6,.38,;7.34,1.16,;3.33,3.47,;2,2.7,;.67,3.47,;.67,5,;2,5.77,;3.33,5,;4.67,5.78,;-.67,2.69,;-.67,1.15,;-2,.38,;-3.33,1.15,;-3.33,2.69,;-2,3.46,;-2,5,;-2,-1.16,;-3.54,-1.16,;-.46,-1.16,;-2,-2.7,;-3.33,-3.47,;-3.33,-5.01,;-4.67,-5.78,;-6,-5.01,;-7.34,-5.78,;-8.67,-5.01,;-6,-3.47,;-4.67,-2.69,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(CC(F)(F)F)no1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.30,wD:31.34,(-2.94,5,;-2.94,3.47,;-4.27,2.69,;-4.27,1.15,;-2.94,.38,;-1.61,1.15,;-1.61,2.69,;-.27,3.47,;-.27,5,;1.06,5.78,;2.4,5,;3.73,5.78,;2.4,3.47,;1.06,2.69,;3.73,2.69,;3.73,1.15,;5.19,.68,;5.96,-.65,;7.5,-.65,;8.27,-1.99,;8.27,.68,;6.73,.68,;6.1,1.93,;5.19,3.17,;-2.94,-1.15,;-1.4,-1.15,;-4.48,-1.15,;-2.94,-2.69,;-4.27,-3.47,;-4.27,-5,;-5.61,-5.78,;-6.94,-5,;-8.27,-5.78,;-6.94,-3.47,;-5.61,-2.69,)|
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(CC(F)(F)F)no1)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(no1)C1CC1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-n1cncn1)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,(6.06,9.48,;4.52,9.48,;3.61,8.23,;2.15,8.71,;2.15,10.25,;3.61,10.72,;.82,11.02,;-.52,10.25,;-1.85,11.02,;-1.85,12.56,;-.52,13.33,;.82,12.56,;2.15,13.33,;-3.19,10.25,;-3.19,8.71,;-4.52,7.94,;-5.85,8.71,;-5.85,10.25,;-4.52,11.02,;-4.52,12.56,;-4.52,6.4,;-2.98,6.4,;-6.06,6.4,;-4.52,4.86,;-3.19,4.09,;-2.79,2.6,;-1.3,3,;.03,2.23,;-1.7,4.48,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1C[C@H](O)C1 |r,wU:24.26,wD:26.29,(6.06,9.48,;4.52,9.48,;3.61,8.23,;2.15,8.71,;2.15,10.25,;3.61,10.72,;.82,11.02,;-.52,10.25,;-1.85,11.02,;-1.85,12.56,;-.52,13.33,;.82,12.56,;2.15,13.33,;-3.19,10.25,;-3.19,8.71,;-4.52,7.94,;-5.85,8.71,;-5.85,10.25,;-4.52,11.02,;-4.52,12.56,;-4.52,6.4,;-2.98,6.4,;-6.06,6.4,;-4.52,4.86,;-3.19,4.09,;-1.7,4.48,;-1.3,3,;.03,2.23,;-2.79,2.6,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC(CO)C1 |(6.06,3.4,;4.52,3.4,;3.61,2.15,;2.15,2.63,;2.15,4.17,;3.61,4.64,;.82,4.94,;-.52,4.17,;-1.85,4.94,;-1.85,6.48,;-.52,7.25,;.82,6.48,;2.15,7.25,;-3.19,4.17,;-3.19,2.63,;-4.52,1.86,;-5.85,2.63,;-5.85,4.17,;-4.52,4.94,;-4.52,6.48,;-4.52,.32,;-2.98,.32,;-6.06,.32,;-4.52,-1.22,;-4.52,-2.76,;-5.61,-3.85,;-4.52,-4.94,;-4.52,-6.48,;-3.19,-7.25,;-3.43,-3.85,)|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)COC1
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,(5.15,.82,;4.38,2.15,;2.92,2.63,;2.92,4.17,;4.38,4.64,;5.29,3.4,;1.59,4.94,;.25,4.17,;-1.08,4.94,;-1.08,6.48,;.25,7.25,;1.59,6.48,;2.92,7.25,;-2.42,4.17,;-2.42,2.63,;-3.75,1.86,;-5.08,2.63,;-5.08,4.17,;-3.75,4.94,;-3.75,6.48,;-3.75,.32,;-2.21,.32,;-5.29,.32,;-3.75,-1.22,;-2.42,-1.99,;-2.42,-3.53,;-3.5,-4.62,;-2.42,-5.71,;-2.42,-7.25,;-1.33,-4.62,)|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(F)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCOC1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1CCOC1 |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(Cl)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(Cl)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1nc(cs1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(6.06,2.56,;4.52,2.56,;3.61,3.81,;2.15,3.33,;2.15,1.79,;3.61,1.32,;.82,4.1,;-.52,3.33,;-1.85,4.1,;-1.85,5.64,;-.52,6.41,;.82,5.64,;2.15,6.41,;-3.19,3.33,;-3.19,1.79,;-4.52,1.02,;-5.85,1.79,;-5.85,3.33,;-4.52,4.1,;-4.52,5.64,;-4.52,-.52,;-2.98,-.52,;-6.06,-.52,;-4.52,-2.06,;-3.43,-3.15,;-3.83,-4.63,;-2.74,-5.72,;-1.25,-5.32,;-.16,-6.41,;-.85,-3.84,;-1.94,-2.75,)|
Cc1nc(cs1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnco1)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ncco1)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;5.45,.54,;5.45,2.08,;6.91,2.56,;7.81,1.31,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC[C@@H](O)C1 |r|
Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(10.26,-1.16,;8.72,-1.16,;7.82,-2.4,;6.35,-1.92,;6.35,-.39,;7.82,.09,;5.02,.39,;3.69,-.39,;2.35,.39,;2.35,1.92,;3.69,2.69,;5.02,1.92,;6.35,2.69,;1.02,-.39,;-.31,.39,;-1.65,-.39,;-1.65,-1.92,;-.31,-2.69,;1.02,-1.92,;2.35,-2.69,;-2.98,.39,;-2.21,1.72,;-3.75,-.95,;-4.31,1.16,;-5.8,.76,;-6.89,1.85,;-8.38,1.45,;-8.78,-.04,;-10.26,-.44,;-7.69,-1.13,;-6.2,-.73,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.96,1.92,;6.42,1.92,;5.51,.68,;4.05,1.15,;4.05,2.69,;5.51,3.17,;2.71,3.47,;1.38,2.7,;.05,3.47,;.05,5.01,;1.38,5.77,;2.71,5.01,;4.05,5.78,;-1.29,2.69,;-1.29,1.15,;-2.62,.38,;-3.96,1.15,;-3.96,2.69,;-2.62,3.46,;-2.62,5,;-2.62,-1.16,;-1.08,-1.16,;-4.16,-1.16,;-2.62,-2.7,;-3.96,-3.47,;-3.96,-5.01,;-5.29,-5.77,;-6.62,-5.01,;-7.96,-5.78,;-6.62,-3.47,;-5.29,-2.7,)|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(F)cc1C)S(=O)(=O)NOCC(C)(C)O
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(C)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1COC[C@H]1O |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC[C@H]1O |r|
C[C@H]1CN(C[C@@H]1O)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cc(C)no1 |r|
Cc1nnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H](CO)C(F)(F)F |r|
Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H](CO)C(F)(F)F |r|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CC(O)C1 |(6.06,3.4,;4.52,3.4,;3.61,2.15,;2.15,2.63,;2.15,4.17,;3.61,4.64,;.82,4.94,;-.52,4.17,;-1.85,4.94,;-1.85,6.48,;-.52,7.25,;.82,6.48,;2.15,7.25,;-3.19,4.17,;-3.19,2.63,;-4.52,1.86,;-5.85,2.63,;-5.85,4.17,;-4.52,4.94,;-4.52,6.48,;-4.52,.32,;-6.06,.32,;-2.98,.32,;-4.52,-1.22,;-3.19,-1.99,;-3.19,-3.53,;-4.27,-4.62,;-3.19,-5.71,;-3.19,-7.25,;-2.1,-4.62,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1COC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(O)C1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCO
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCCO
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)COC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CCCOC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)(F)F
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(F)F
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:27.30,wD:24.26,(6.06,1.93,;4.52,1.93,;3.61,.68,;2.15,1.15,;2.15,2.69,;3.61,3.17,;.82,3.47,;-.52,2.69,;-1.85,3.47,;-1.85,5,;-.52,5.78,;.82,5,;2.15,5.78,;-3.19,2.69,;-3.19,1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.47,;-4.52,5,;-4.52,-1.15,;-6.06,-1.15,;-2.98,-1.15,;-4.52,-2.69,;-3.19,-3.47,;-3.19,-5,;-1.85,-5.78,;-.52,-5,;.82,-5.78,;2.15,-5,;-.52,-3.47,;-1.85,-2.69,)|
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC1
CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cnc(C)o1
Cc1nnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(C)n1)S(=O)(=O)NCCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O
CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1
Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(F)cc1C)S(=O)(=O)NCC(C)(C)O
Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccn(C)n1)S(=O)(=O)NCC(C)(C)O
Cc1cc(on1)-c1cc(cnc1N)-c1cccc(c1)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CCC[C@H](O)C1 |r|
Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(C)cc1F)S(=O)(=O)NCC(C)(C)O
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC(CO)C(F)(F)F
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCOCC1
Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(O)(C1)C(F)(F)F
Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnc(o1)C1CC1)S(=O)(=O)NCC(C)(C)O
Cc1ncc(s1)-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCCCO
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1
Cc1ncc(s1)-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(6.06,1.92,;4.52,1.92,;3.61,.68,;2.15,1.15,;2.15,2.69,;3.61,3.17,;.82,3.46,;.82,5,;-.52,5.78,;-1.85,5,;-1.85,3.46,;-.52,2.69,;-3.19,2.69,;-3.19,1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.46,;-4.52,5,;-4.52,-1.16,;-2.98,-1.16,;-6.06,-1.16,;-4.52,-2.7,;-3.19,-3.47,;-1.85,-2.7,;-.52,-3.47,;-.52,-5.01,;.82,-5.78,;-1.85,-5.78,;-3.19,-5.01,)|
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(4.78,4.98,;4.38,3.49,;5.29,2.24,;4.38,1,;4.78,-.49,;2.92,1.47,;2.92,3.01,;1.59,3.78,;1.59,5.32,;.25,6.09,;-1.08,5.32,;-1.08,3.78,;.25,3.01,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)|
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,(3.96,6.23,;3.96,4.69,;5.2,3.78,;4.73,2.32,;5.5,.99,;3.19,2.32,;2.71,3.78,;1.38,4.55,;1.38,6.09,;.04,6.86,;-1.29,6.09,;-1.29,4.55,;.04,3.78,;-2.62,3.78,;-2.62,2.24,;-3.96,1.47,;-5.29,2.24,;-5.29,3.78,;-3.96,4.55,;-3.96,6.09,;-3.96,-.07,;-2.42,-.07,;-5.5,-.07,;-3.96,-1.61,;-3.96,-3.15,;-2.87,-4.24,;-2.87,-5.78,;-1.33,-5.78,;-.24,-6.86,;-1.33,-4.24,)|
Cc1nn(C)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)CO
Cc1ccc(cc1-c1cncc(n1)-c1cnn(CCN2CCOCC2)c1)S(=O)(=O)NCCC(C)(C)O
Cc1nn(CCN2CCOCC2)cc1-c1cncc(n1)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O
Cc1ccc(cc1-c1cncc(n1)-c1cccnc1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:23.25,wD:26.29,(-2,5,;-2,3.47,;-3.33,2.69,;-3.33,1.15,;-2,.38,;-.67,1.15,;-.67,2.69,;.67,3.47,;.67,5,;2,5.78,;3.33,5,;3.33,3.47,;2,2.69,;4.67,2.69,;4.67,1.15,;6,.38,;7.34,1.15,;7.34,2.69,;6,3.47,;-2,-1.15,;-3.54,-1.15,;-.46,-1.15,;-2,-2.69,;-3.33,-3.47,;-3.33,-5,;-4.67,-5.78,;-6,-5,;-7.34,-5.78,;-6,-3.47,;-4.67,-2.69,)|
Cc1ccc(cc1-c1cncc(n1)-c1csc(CN2CCOCC2)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-4.16,5,;-4.16,3.47,;-5.5,2.69,;-5.5,1.15,;-4.16,.38,;-2.83,1.15,;-2.83,2.69,;-1.49,3.47,;-1.49,5,;-.16,5.78,;1.17,5,;1.17,3.47,;-.16,2.69,;2.51,2.69,;2.51,1.15,;3.97,.68,;4.88,1.93,;6.42,1.93,;7.19,.59,;6.42,-.74,;7.19,-2.08,;8.73,-2.08,;9.5,-.74,;8.73,.59,;3.97,3.17,;-4.16,-1.15,;-5.7,-1.15,;-2.62,-1.15,;-4.16,-2.69,;-5.5,-3.47,;-5.5,-5,;-6.83,-5.78,;-8.16,-5,;-9.5,-5.78,;-8.16,-3.47,;-6.83,-2.69,)|
Cc1cc(-c2cncc(n2)-c2cc(ccc2C)S(=O)(=O)NC[C@@H]2C[C@H](O)C2)n(C)n1 |r,wU:22.23,24.26,(6.1,4.85,;4.77,4.08,;3.52,4.98,;2.27,4.08,;.94,4.85,;.94,6.39,;-.39,7.16,;-1.73,6.39,;-1.73,4.85,;-.39,4.08,;-3.06,4.08,;-3.06,2.54,;-4.39,1.77,;-5.73,2.54,;-5.73,4.08,;-4.39,4.85,;-4.39,6.39,;-4.39,.23,;-5.93,.23,;-2.85,.23,;-4.39,-1.31,;-5.73,-2.08,;-5.33,-3.57,;-6.1,-4.9,;-4.77,-5.67,;-4.37,-7.16,;-4,-4.34,;2.75,2.61,;1.98,1.28,;4.29,2.61,)|
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)CC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cccc(O)c1)-c1sc(NC(=O)C2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NC(=O)C2CCCC2)nc1C |r,wU:12.12,wD:15.16,(-8.36,-.2,;-7.18,-1.18,;-5.85,-.41,;-5.85,1.13,;-4.52,1.9,;-3.18,1.13,;-3.18,-.41,;-4.52,-1.18,;-4.52,-2.72,;-6.06,-2.72,;-4.92,-4.21,;-3.18,-3.49,;-1.64,-3.49,;-.87,-2.16,;.67,-2.16,;1.44,-3.49,;2.98,-3.49,;.67,-4.83,;-.87,-4.83,;-1.85,1.9,;-.44,1.27,;.59,2.41,;2.12,2.25,;3.21,3.34,;2.81,4.83,;4.7,2.94,;5.25,1.5,;6.79,1.59,;7.18,3.07,;5.89,3.91,;-.18,3.75,;-1.69,3.43,;-2.83,4.46,)|
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1F)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1F)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cccc(F)c1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(CO)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCC(N)C1)-c1sc(NC(=O)C2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cccc(O)c1)-c1sc(NC(=O)CC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)Cc2ccccc2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)NCC(C)C)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(F)c(C)c1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cc(F)c(Cl)c(F)c1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)c(F)c1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)-c1sc(NC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cccc(O)c1)-c1sc(NC(=O)CC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C#N)-c1sc(NC2CCCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(F)(F)F)-c1sc(NC2CCCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1F)-c1sc(NC2CCCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1Cl)-c1sc(NC2CCCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1c(C)cccc1C)-c1sc(NC2CCCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(C)nc1)-c1sc(NC(=O)CC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1Cl)-c1sc(NC(=O)CC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1F)-c1sc(NC(=O)CC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1)-c1sc(NC(=O)CC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1)-c1sc(NC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1Cl)-c1sc(NC(=O)C2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1F)-c1sc(NC(=O)C2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)c(C)c1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)c(C)c1)-c1sc(NC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1)-c1sc(NC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CC1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NCC1CCCCC1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCC1)-c1sc(NC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCCCC1)-c1sc(NC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C1CCCC1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(C)C)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C1CC1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C1CCCCC1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)[C@@H](C)C2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(N[C@H](C)CC2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(N[C@H](C)CC2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1)-c1sc(NC(=O)CC2CCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1)-c1sc(NC(=O)CC2CCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NC(=O)CC2CCCC2)nc1C |r,wU:12.12,wD:15.16,(-8.77,-.91,;-7.59,-1.9,;-6.26,-1.13,;-6.26,.41,;-4.93,1.18,;-3.59,.41,;-3.59,-1.13,;-4.93,-1.9,;-4.93,-3.44,;-6.47,-3.44,;-5.33,-4.92,;-3.59,-4.21,;-2.05,-4.21,;-1.28,-2.87,;.26,-2.87,;1.03,-4.21,;2.57,-4.21,;.26,-5.54,;-1.28,-5.54,;-2.26,1.18,;-.85,.56,;.18,1.7,;1.71,1.54,;2.8,2.63,;2.4,4.12,;4.29,2.23,;5.37,3.32,;6.9,3.08,;7.59,4.45,;6.51,5.54,;5.13,4.84,;-.59,3.04,;-2.1,2.72,;-3.24,3.75,)|
COc1ccc(cc1S(=O)(=O)NCCCCO)-c1sc(NC(=O)CC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)N1CC[C@@H](O)C1)-c1sc(NC(=O)CC2CCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CCC[C@@H](O)C1)-c1sc(NC(=O)CCC2CCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CC[C@H](O)CC1)-c1sc(NC(=O)CCC2CCCC2)nc1C |r,wU:15.16,(-9.65,-.5,;-8.47,-1.49,;-7.14,-.72,;-7.14,.82,;-5.81,1.59,;-4.47,.82,;-4.47,-.72,;-5.81,-1.49,;-5.81,-3.03,;-7.35,-3.03,;-6.2,-4.52,;-4.47,-3.8,;-3.14,-3.03,;-1.8,-3.8,;-.47,-3.03,;-.47,-1.49,;.86,-.72,;-1.8,-.72,;-3.14,-1.49,;-3.14,1.59,;-1.73,.96,;-.7,2.11,;.83,1.94,;1.92,3.03,;1.52,4.52,;3.41,2.63,;4.5,3.72,;5.98,3.32,;6.54,1.89,;8.07,1.97,;8.47,3.46,;7.18,4.29,;-1.47,3.44,;-2.98,3.12,;-4.12,4.15,)|
COc1ccc(cc1S(=O)(=O)NCCCCO)-c1sc(NC(=O)CCC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cc(C)cc(Cl)c1)-c1sc(NC(=O)CCC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(NC(=O)CCC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(NC(=O)CCC2CCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(N[C@@H](C)C2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NC2CCCCC2)nc1C |r,wU:12.12,wD:15.16,(-7.66,-.74,;-6.48,-1.73,;-5.15,-.96,;-5.15,.58,;-3.82,1.35,;-2.48,.58,;-2.48,-.96,;-3.82,-1.73,;-3.82,-3.27,;-5.36,-3.27,;-4.22,-4.76,;-2.48,-4.04,;-.94,-4.04,;-.17,-2.71,;1.37,-2.71,;2.14,-4.04,;3.68,-4.04,;1.37,-5.37,;-.17,-5.37,;-1.15,1.35,;.26,.72,;1.29,1.87,;2.82,1.71,;3.91,2.8,;5.4,2.4,;6.48,3.49,;6.09,4.97,;4.6,5.37,;3.51,4.28,;.52,3.2,;-.99,2.88,;-2.13,3.91,)|
COc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(NC2CCCCC2)nc1C |r,wU:12.12,15.16,(-7.66,-.74,;-6.48,-1.73,;-5.15,-.96,;-5.15,.58,;-3.82,1.35,;-2.48,.58,;-2.48,-.96,;-3.82,-1.73,;-3.82,-3.27,;-5.36,-3.27,;-4.22,-4.76,;-2.48,-4.04,;-.94,-4.04,;-.17,-5.37,;1.37,-5.37,;2.14,-4.04,;3.68,-4.04,;1.37,-2.71,;-.17,-2.71,;-1.15,1.35,;.26,.72,;1.29,1.87,;2.82,1.71,;3.91,2.8,;5.4,2.4,;6.48,3.49,;6.09,4.97,;4.6,5.37,;3.51,4.28,;.52,3.2,;-.99,2.88,;-2.13,3.91,)|
COc1ccc(cc1S(=O)(=O)Nc1cc(C)cc(O)c1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(NC(=O)CC2CCCC2)nc1C
Cc1nc(NC(=O)CC2CCCC2)sc1-c1ccc(C)c(c1)S(=O)(=O)Nc1cc(C)cc(O)c1
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(N[C@@H](C)C2CCCCC2)nc1C |r,wU:12.12,23.25,wD:15.16,(-8.61,-.2,;-7.43,-1.18,;-6.09,-.41,;-6.09,1.13,;-4.76,1.9,;-3.43,1.13,;-3.43,-.41,;-4.76,-1.18,;-4.76,-2.72,;-6.3,-2.72,;-5.16,-4.21,;-3.43,-3.49,;-1.89,-3.49,;-1.12,-2.16,;.42,-2.16,;1.19,-3.49,;2.73,-3.49,;.42,-4.83,;-1.12,-4.83,;-2.09,1.9,;-.69,1.27,;.34,2.41,;1.88,2.25,;2.97,3.34,;2.57,4.83,;4.45,2.94,;4.85,1.46,;6.34,1.06,;7.43,2.15,;7.03,3.63,;5.54,4.03,;-.43,3.75,;-1.93,3.43,;-3.08,4.46,)|
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r|
Cc1nc(NC(=O)CC2CCCC2)sc1-c1ccc(C)c(c1)S(=O)(=O)NC1CCNCC1
Cc1nc(NC(=O)CC2CCCC2)sc1-c1ccc(C)c(c1)S(=O)(=O)NC1CCCNC1
Cc1nc(NC(=O)CC2CCCC2)sc1-c1ccc(C)c(c1)S(=O)(=O)Nc1cccc(O)c1
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r,wU:12.12,wD:15.16,23.25,(-8.61,-.2,;-7.43,-1.18,;-6.09,-.41,;-6.09,1.13,;-4.76,1.9,;-3.43,1.13,;-3.43,-.41,;-4.76,-1.18,;-4.76,-2.72,;-6.3,-2.72,;-5.16,-4.21,;-3.43,-3.49,;-1.89,-3.49,;-1.12,-2.16,;.42,-2.16,;1.19,-3.49,;2.73,-3.49,;.42,-4.83,;-1.12,-4.83,;-2.09,1.9,;-.69,1.27,;.34,2.41,;1.88,2.25,;2.97,3.34,;2.57,4.83,;4.45,2.94,;4.85,1.46,;6.34,1.06,;7.43,2.15,;7.03,3.63,;5.54,4.03,;-.43,3.75,;-1.93,3.43,;-3.08,4.46,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NCC2CCCCC2)nc1C |r,wU:12.12,wD:15.16,(-8.61,-.01,;-7.43,-1,;-6.09,-.23,;-6.09,1.31,;-4.76,2.08,;-3.43,1.31,;-3.43,-.23,;-4.76,-1,;-4.76,-2.54,;-6.3,-2.54,;-5.16,-4.03,;-3.43,-3.31,;-1.89,-3.31,;-1.12,-1.98,;.42,-1.98,;1.19,-3.31,;2.73,-3.31,;.42,-4.64,;-1.12,-4.64,;-2.09,2.08,;-.69,1.45,;.34,2.6,;1.88,2.44,;2.97,3.53,;4.45,3.13,;4.85,1.64,;6.34,1.24,;7.43,2.33,;7.03,3.82,;5.54,4.22,;-.43,3.93,;-1.93,3.61,;-3.08,4.64,)|
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(N[C@H](C)CC2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(N[C@H](C)CC2CCCCC2)nc1C |r,wU:12.12,wD:15.16,23.25,(-8.95,-1.08,;-7.77,-2.07,;-6.44,-1.3,;-6.44,.24,;-5.11,1.01,;-3.77,.24,;-3.77,-1.3,;-5.11,-2.07,;-5.11,-3.61,;-6.65,-3.61,;-5.5,-5.1,;-3.77,-4.38,;-2.23,-4.38,;-1.46,-3.05,;.08,-3.05,;.85,-4.38,;2.39,-4.38,;.08,-5.72,;-1.46,-5.72,;-2.44,1.01,;-1.03,.38,;-0,1.52,;1.53,1.36,;2.62,2.45,;2.22,3.94,;4.11,2.05,;5.2,3.14,;6.68,2.74,;7.77,3.83,;7.37,5.32,;5.89,5.72,;4.8,4.63,;-.77,2.86,;-2.28,2.54,;-3.42,3.57,)|
COc1ccc(cc1S(=O)(=O)N[C@@H]1CCNC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r,wU:12.12,15.16,wD:23.25,(-8.61,-.2,;-7.43,-1.18,;-6.09,-.41,;-6.09,1.13,;-4.76,1.9,;-3.43,1.13,;-3.43,-.41,;-4.76,-1.18,;-4.76,-2.72,;-6.3,-2.72,;-5.16,-4.21,;-3.43,-3.49,;-1.89,-3.49,;-1.12,-4.83,;.42,-4.83,;1.19,-3.49,;2.73,-3.49,;.42,-2.16,;-1.12,-2.16,;-2.09,1.9,;-.69,1.27,;.34,2.41,;1.88,2.25,;2.97,3.34,;2.57,4.83,;4.45,2.94,;4.85,1.46,;6.34,1.06,;7.43,2.15,;7.03,3.63,;5.54,4.03,;-.43,3.75,;-1.93,3.43,;-3.08,4.46,)|
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NCCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)N[C@H]1CCNC1)-c1sc(N[C@H](C)C2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(NCCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(NCC2CCCCC2)nc1C |r,wU:12.12,15.16,(-8.61,-.01,;-7.43,-1,;-6.09,-.23,;-6.09,1.31,;-4.76,2.08,;-3.43,1.31,;-3.43,-.23,;-4.76,-1,;-4.76,-2.54,;-6.3,-2.54,;-5.16,-4.03,;-3.43,-3.31,;-1.89,-3.31,;-1.12,-4.64,;.42,-4.64,;1.19,-3.31,;2.73,-3.31,;.42,-1.98,;-1.12,-1.98,;-2.09,2.08,;-.69,1.45,;.34,2.6,;1.88,2.44,;2.97,3.53,;4.45,3.13,;4.85,1.64,;6.34,1.24,;7.43,2.33,;7.03,3.82,;5.54,4.22,;-.43,3.93,;-1.93,3.61,;-3.08,4.64,)|
COc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(NCCC2CCCCC2)nc1C |r,wU:12.12,15.16,(-8.95,-1.08,;-7.77,-2.07,;-6.44,-1.3,;-6.44,.24,;-5.11,1.01,;-3.77,.24,;-3.77,-1.3,;-5.11,-2.07,;-5.11,-3.61,;-6.65,-3.61,;-5.5,-5.1,;-3.77,-4.38,;-2.23,-4.38,;-1.46,-5.72,;.08,-5.72,;.85,-4.38,;2.39,-4.38,;.08,-3.05,;-1.46,-3.05,;-2.44,1.01,;-1.03,.38,;-0,1.52,;1.53,1.36,;2.62,2.45,;4.11,2.05,;5.2,3.14,;6.68,2.74,;7.77,3.83,;7.37,5.32,;5.89,5.72,;4.8,4.63,;-.77,2.86,;-2.28,2.54,;-3.42,3.57,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NCCC2CCCCC2)nc1C |r,wU:12.12,wD:15.16,(-8.95,-1.08,;-7.77,-2.07,;-6.44,-1.3,;-6.44,.24,;-5.11,1.01,;-3.77,.24,;-3.77,-1.3,;-5.11,-2.07,;-5.11,-3.61,;-6.65,-3.61,;-5.5,-5.1,;-3.77,-4.38,;-2.23,-4.38,;-1.46,-3.05,;.08,-3.05,;.85,-4.38,;2.39,-4.38,;.08,-5.72,;-1.46,-5.72,;-2.44,1.01,;-1.03,.38,;-0,1.52,;1.53,1.36,;2.62,2.45,;4.11,2.05,;5.2,3.14,;6.68,2.74,;7.77,3.83,;7.37,5.32,;5.89,5.72,;4.8,4.63,;-.77,2.86,;-2.28,2.54,;-3.42,3.57,)|
COc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(N[C@@H](C)C2CCCCC2)nc1C |r,wU:12.12,15.16,23.25,(-8.61,-.2,;-7.43,-1.18,;-6.09,-.41,;-6.09,1.13,;-4.76,1.9,;-3.43,1.13,;-3.43,-.41,;-4.76,-1.18,;-4.76,-2.72,;-6.3,-2.72,;-5.16,-4.21,;-3.43,-3.49,;-1.89,-3.49,;-1.12,-4.83,;.42,-4.83,;1.19,-3.49,;2.73,-3.49,;.42,-2.16,;-1.12,-2.16,;-2.09,1.9,;-.69,1.27,;.34,2.41,;1.88,2.25,;2.97,3.34,;2.57,4.83,;4.45,2.94,;4.85,1.46,;6.34,1.06,;7.43,2.15,;7.03,3.63,;5.54,4.03,;-.43,3.75,;-1.93,3.43,;-3.08,4.46,)|
COc1ccc(cc1S(=O)(=O)N[C@@H]1CCNC1)-c1sc(NCCC2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)N[C@H]1CCNC1)-c1sc(NCCC2CCCCC2)nc1C |r|
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(NCCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(N[C@H](C)CC2CCCCC2)nc1C |r,wU:12.12,15.16,wD:23.25,(-8.95,-1.08,;-7.77,-2.07,;-6.44,-1.3,;-6.44,.24,;-5.11,1.01,;-3.77,.24,;-3.77,-1.3,;-5.11,-2.07,;-5.11,-3.61,;-6.65,-3.61,;-5.5,-5.1,;-3.77,-4.38,;-2.23,-4.38,;-1.46,-5.72,;.08,-5.72,;.85,-4.38,;2.39,-4.38,;.08,-3.05,;-1.46,-3.05,;-2.44,1.01,;-1.03,.38,;-0,1.52,;1.53,1.36,;2.62,2.45,;2.22,3.94,;4.11,2.05,;5.2,3.14,;6.68,2.74,;7.77,3.83,;7.37,5.32,;5.89,5.72,;4.8,4.63,;-.77,2.86,;-2.28,2.54,;-3.42,3.57,)|
COc1ccc(cc1S(=O)(=O)NC1CCC(O)C1)-c1sc(NCCC2CCCCC2)nc1C
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NC(C)C)nc1C |r,wU:12.12,wD:15.16,(-7.12,-.2,;-5.94,-1.18,;-4.61,-.41,;-4.61,1.13,;-3.27,1.9,;-1.94,1.13,;-1.94,-.41,;-3.27,-1.18,;-3.27,-2.72,;-4.81,-2.72,;-3.67,-4.21,;-1.94,-3.49,;-.4,-3.49,;.37,-2.16,;1.91,-2.16,;2.68,-3.49,;4.22,-3.49,;1.91,-4.83,;.37,-4.83,;-.61,1.9,;.8,1.27,;1.83,2.41,;3.36,2.25,;4.45,3.34,;5.94,2.94,;4.05,4.83,;1.06,3.75,;-.44,3.43,;-1.59,4.46,)|
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NC(C)(C)C)nc1C |r,wU:12.12,wD:15.16,(-7.12,-.2,;-5.94,-1.18,;-4.61,-.41,;-4.61,1.13,;-3.27,1.9,;-1.94,1.13,;-1.94,-.41,;-3.27,-1.18,;-3.27,-2.72,;-4.81,-2.72,;-3.67,-4.21,;-1.94,-3.49,;-.4,-3.49,;.37,-2.16,;1.91,-2.16,;2.68,-3.49,;4.22,-3.49,;1.91,-4.83,;.37,-4.83,;-.61,1.9,;.8,1.27,;1.83,2.41,;3.36,2.25,;4.45,3.34,;5.94,2.94,;4.05,4.83,;5.79,4.11,;1.06,3.75,;-.44,3.43,;-1.59,4.46,)|
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NC(C)(C)C)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1sc(NC(C)(C)C)nc1C
COc1ccc(cc1S(=O)(=O)NC1CCCNC1)-c1sc(NC(C)(C)C)nc1C
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NCC(C)C)nc1C |r,wU:12.12,wD:15.16,(-7.72,-.01,;-6.54,-1,;-5.2,-.23,;-5.2,1.31,;-3.87,2.08,;-2.54,1.31,;-2.54,-.23,;-3.87,-1,;-3.87,-2.54,;-5.41,-2.54,;-4.27,-4.03,;-2.54,-3.31,;-1,-3.31,;-.23,-1.98,;1.31,-1.98,;2.08,-3.31,;3.62,-3.31,;1.31,-4.64,;-.23,-4.64,;-1.2,2.08,;.2,1.45,;1.23,2.6,;2.77,2.44,;3.85,3.53,;5.34,3.13,;6.11,1.79,;6.54,4.1,;.46,3.93,;-1.04,3.61,;-2.19,4.64,)|
COc1ccc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(NCC(C)C)nc1C |r,wU:12.12,15.16,(-7.66,-.01,;-6.48,-1,;-5.15,-.23,;-5.15,1.31,;-3.82,2.08,;-2.48,1.31,;-2.48,-.23,;-3.82,-1,;-3.82,-2.54,;-5.36,-2.54,;-4.22,-4.03,;-2.48,-3.31,;-.94,-3.31,;-.17,-4.64,;1.37,-4.64,;2.14,-3.31,;3.68,-3.31,;1.37,-1.98,;-.17,-1.98,;-1.15,2.08,;.26,1.45,;1.29,2.6,;2.82,2.44,;3.91,3.53,;5.4,3.13,;6.48,4.22,;6.17,1.79,;.52,3.93,;-.99,3.61,;-2.13,4.64,)|
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NCC(C)C)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cccc(C)c1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1C)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1cccc(F)c1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1F)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1C)-c1sc(NC(=O)CC2CCOCC2)nc1C
Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NC1CCCC(O)C1
Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
COc1ccc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NC(=O)C2CCCC2)nc1C
COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ncc(cc1S(=O)(=O)Nc1cccc(O)c1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ncc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ncc(cc1S(=O)(=O)N[C@@H]1CC[C@H](O)CC1)-c1sc(NC(=O)CC2CCOCC2)nc1C |r,wU:12.12,15.16,(-8.95,-1.08,;-7.77,-2.07,;-6.44,-1.3,;-6.44,.24,;-5.11,1.01,;-3.77,.24,;-3.77,-1.3,;-5.11,-2.07,;-5.11,-3.61,;-6.65,-3.61,;-5.5,-5.1,;-3.77,-4.38,;-2.23,-4.38,;-1.46,-5.72,;.08,-5.72,;.85,-4.38,;2.39,-4.38,;.08,-3.05,;-1.46,-3.05,;-2.44,1.01,;-1.03,.38,;-0,1.52,;1.53,1.36,;2.62,2.45,;2.22,3.94,;4.11,2.05,;5.2,3.14,;6.68,2.74,;7.77,3.83,;7.37,5.32,;5.89,5.72,;4.8,4.63,;-.77,2.86,;-2.28,2.54,;-3.42,3.57,)|
COc1ncc(cc1S(=O)(=O)NC1CCCC(O)C1)-c1sc(NC(=O)CC2CCOCC2)nc1C
COc1ncc(cc1S(=O)(=O)Nc1cccc(c1)C(O)=O)-c1sc(NC(=O)CC2CCOCC2)nc1C
Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1
CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1
Cc1nc(NC(=O)[C@H]2CC[C@H](CC2)C(F)(F)F)sc1-c1ccc(N)nc1 |r,wU:7.6,10.13,(28.23,-22.96,;29.38,-23.98,;30.89,-23.66,;31.66,-24.99,;33.2,-25.14,;33.83,-26.55,;32.93,-27.8,;35.36,-26.7,;36.25,-25.45,;37.79,-25.61,;38.42,-27.02,;37.51,-28.27,;35.99,-28.11,;39.95,-27.18,;40.58,-28.59,;40.86,-25.94,;41.49,-27.18,;30.64,-26.14,;29.23,-25.51,;27.89,-26.28,;26.56,-25.52,;25.23,-26.29,;25.23,-27.83,;23.89,-28.6,;26.56,-28.6,;27.9,-27.83,)|
C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
Cc1nc(NC(=O)Cc2nc(c(C)o2)-c2ccccc2)sc1-c1ccc(N)nc1
C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
CO[C@H]1CC[C@H](CC1)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r,wU:5.8,2.1,(18.48,-29.12,;17.85,-27.71,;16.32,-27.55,;15.42,-28.8,;13.89,-28.64,;13.26,-27.23,;14.16,-25.98,;15.69,-26.14,;11.73,-27.08,;10.83,-28.32,;11.1,-25.67,;9.57,-25.52,;8.79,-24.19,;7.29,-24.51,;6.14,-23.48,;7.13,-26.04,;8.54,-26.66,;5.8,-26.81,;4.46,-26.05,;3.13,-26.82,;3.13,-28.36,;1.8,-29.13,;4.46,-29.13,;5.8,-28.36,)|
Nc1ccc(cc1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CCCn1cc(cn1)-c1ccc2nc(N)sc2c1
CC(C)n1cc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1
Nc1nc2ccc(cc2s1)-c1cnn(CC2CC2)c1
Nc1nc2ccc(cc2s1)-c1cnn(Cc2ccccc2)c1
Cn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
CCn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1
COCCOn1ccc(cc1=O)-c1ccc2nc(N)sc2c1
O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1
C[C@@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
C[C@H](Nc1nc2ccc(cc2s1)-c1ccn(CC2CC2)c(=O)c1)C1CCOCC1 |r|
O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCS(=O)(=O)CC3)sc2c1
OC(=O)[C@H]1CC[C@H](CNc2nc3ccc(cc3s2)-c2ccn(CC3CC3)c(=O)c2)CC1 |r,wU:6.6,wD:3.2,(11.72,2.53,;11.11,1.45,;11.74,.39,;9.57,1.44,;8.78,2.76,;7.24,2.75,;6.49,1.4,;4.95,1.38,;4.2,.04,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-7.72,3.83,;-9.05,3.06,;-10.51,3.1,;-9.73,1.77,;-5.05,3.84,;-5.05,5.07,;-3.72,3.07,;7.28,.08,;8.82,.1,)|
Nc1nc2ccc(cc2s1)-c1cccnc1
Nc1nc2ccc(cc2s1)-c1ccncc1
Nc1nc2ccc(cc2s1)-c1ncccn1
Nc1nc2ccc(cc2s1)-c1cnccn1
Nc1nc2ccc(cc2s1)-c1ccc(=O)[nH]c1
Nc1nc2ccc(cc2s1)-c1cc[nH]c(=O)c1
Cn1ccc(n1)-c1ccc2nc(N)sc2c1
Cn1nccc1-c1ccc2nc(N)sc2c1
Cn1cc(cn1)-c1ccc2nc(N)sc2c1
CCn1cc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccccn1
Nc1nc2ccc(cc2s1)-c1ccccc1
CS(=O)(=O)c1cncc(c1)-c1ccc2nc(N)sc2c1
CC(C)Oc1cncc(c1)-c1ccc2nc(N)sc2c1
CN(C)C(=O)c1ccc(cn1)-c1ccc2nc(N)sc2c1
CNC(=O)c1ccc(cn1)-c1ccc2nc(N)sc2c1
COCCOc1ccc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
CS(=O)(=O)c1ccc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccc(nc1)C(F)(F)F
Cc1ccc(cn1)-c1ccc2nc(N)sc2c1
Nc1nc2ccc(cc2s1)-c1ccc(CO)nc1
CCN(C)c1ccc(cn1)-c1ccc2nc(N)sc2c1
CCNc1ccc(cn1)-c1ccc2nc(N)sc2c1
CC(C)Oc1ccc(cn1)-c1ccc2nc(N)sc2c1
CNCc1ccc(cn1)-c1ccc2nc(N)sc2c1
COCc1ccc(cn1)-c1ccc2nc(N)sc2c1
CCSc1ccc(cn1)-c1ccc2nc(N)sc2c1
COc1ccc(cn1)-c1ccc2nc(N)sc2c1
CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1
CN(C)C[C@]1(CCCN1C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r|
CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc-23)s1 |r|
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r|
CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r|
CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc3-c2n1 |r|
C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3
CNc1ncc(c(CC2CC2)n1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.23,wD:18.19,(-9.3,9.74,;-9.31,8.51,;-7.98,7.73,;-6.64,8.49,;-5.31,7.71,;-5.32,6.17,;-6.66,5.41,;-6.67,3.87,;-8.01,3.11,;-8.71,1.83,;-9.47,3.17,;-7.99,6.19,;-3.99,5.4,;-2.65,6.16,;-1.32,5.39,;-1.33,3.85,;-2.66,3.08,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.4,-1.39,;1.33,.77,;,1.54,;-4,3.86,)|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
COc1ccc(cc1S(=O)(=O)NC1CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)cc2)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(O)CC2)ccn1
COc1ccc(cc1S(=O)(=O)NCCO)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
CC(C)(C)OC(=O)CCNC(=O)Nc1nc2CCc3cnc(nc3-c2s1)-c1ccccc1Cl
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccccn3)cc(Cl)nn12
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCCCC2)ccn1
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccncc3)cc(Cl)nn12
CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
COc1ccc(cc1S(=O)(=O)N1CCC(O)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
COc1ccc(cc1S(=O)(=O)n1cccn1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2cccc(c2)S(=O)(=O)N(C)C)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCN(C)C)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCOC)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N(C)C)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CC2)ccn1
COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
COc1ccc(cc1S(=O)(=O)NCCN(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3cccnc3)cc(Cl)nn12
CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCc3ccnc(CC)c3)cc(Cl)nn12
COc1ccc(cc1S(=O)(=O)N1CCCCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
COCCNS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
COc1ccc(cc1S(=O)(=O)NCC=C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCC=C)ccn1
CNCCNS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
COc1ccc(cc1S(=O)(=O)N(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccnc(C)c3)cc(Cl)nn12
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)|
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)n2cccn2)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(CO)CC2)ccn1
COc1ccc(cc1S(=O)(=O)NC1CCC(N)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 |(11.76,-30.3,;12.78,-29.15,;12.29,-27.69,;10.78,-27.38,;10.29,-25.92,;11.32,-24.77,;12.83,-25.08,;13.31,-26.54,;14.81,-26.85,;15.21,-25.35,;16.3,-26.44,;15.39,-28.28,;16.93,-28.33,;17.65,-29.69,;19.18,-29.75,;20,-28.44,;21.54,-28.5,;19.28,-27.08,;17.73,-27.02,;10.83,-23.31,;11.73,-22.06,;13.27,-22.04,;10.82,-20.81,;9.35,-21.3,;8.01,-20.54,;8.01,-19,;6.67,-18.23,;5.34,-19.01,;4,-18.25,;3.99,-16.71,;2.65,-15.95,;5.32,-15.93,;6.69,-21.31,;6.69,-22.85,;5.37,-23.63,;8.04,-23.62,;9.37,-22.84,)|
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCc2cn(Cc3ccccc3)nn2)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCc2cn(nn2)-c2cc3ccc(O)cc3oc2=O)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCc2cn(CCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)nn2)ccn1
CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCC#C)ccn1
NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
COc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1
Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCOC1
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r|
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1 |r|
Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1
Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C
CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1
Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F
COc1ccc(CNC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)cc1 |r|
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1
Cc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)c1 |r|
Cc1cccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)c1
COc1ccc(NC(=O)N2C3CCC2CN(C3)c2nc(N)nc3scnc23)cc1
CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl
Nc1nc(N2CCN(CC2)C(=O)Nc2cccnc2)c2ncsc2n1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cn1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)c(C)c1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)c(C)n1
COc1ccc(NC(=O)N2CCN(C(C)C2)c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2C[C@H](C)N([C@H](C)C2)c2nc(N)nc3scnc23)cc1 |r|
COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2nc(N)nc3scnc23)cc1 |r|
COc1ccc(NC(=O)N2CC3CCC(C2)N3c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1 |r|
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3sccc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3sncc23)c(C)c1 |r|
Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC
Cc1nn2c(NCc3ccnc(C)c3)cc(C)nc2c1-c1ccc(Cl)c(NS(C)(=O)=O)c1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cc1
Nc1nc(N2CCN(CC2)C(=O)COc2ccc(Cl)cc2)c2nc(sc2n1)-c1cccnc1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2ccccc2)cc1
Nc1nc(N2CCN(CC2)C(=O)Nc2ccccc2)c2ncsc2n1
COc1ccc(CC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cc1OC
Nc1nc(N2CCN(CC2)C(=O)COc2ccc(Cl)cc2)c2ncsc2n1
Nc1nc(N2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ncsc2n1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3n(C)cnc23)c(C)c1 |r|
Cc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1
C[C@H](C(=O)Nc1nc(C)c([nH]1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO)c1ccc(Cl)cc1 |r|
Cc1ccccc1NC(=O)N1CCN(CC1)c1nc(N)nc2scnc12
COc1cc(C)c(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cn1
COc1ccc(NC(=O)N2CCN(CC2C)c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2CCN(C(C)C2C)c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2CCN([C@H](C)C2)c2nc(N)nc3scnc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN([C@H](C)C2)c2nc(N)nc3n(C)ncc23)c(C)c1 |r|
Nc1nc(N2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ncsc2n1
COc1ccc(NC(=O)C2CCN(CC2)c2nc(N)nc3scnc23)cc1
CNC(=O)c1cc(ccc1Cl)-c1ccnc(c1)C(=O)NCc1cccc(c1)-n1cccn1
Nc1nc(N2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ncsc2n1
Nc1nc(N2CCN(CC2)C(=O)c2cn3ccccc3n2)c2ncsc2n1
CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1 |r|
CC(C)[C@H](N)C(=O)Nc1nc(C)c(s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(C)c2)c1 |r|
CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4
CCC(CC)n1cnc2c(nc(nc12)N1CC2CCC(C1)O2)-c1cnc(N)cn1
CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)|
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2
Cc1nc2c(NCc3cccc(c3)S(C)(=O)=O)nccn2c1-c1ccc(O)c(F)c1
OCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(cc3)N3CCOCC3)c2c1
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C1(CC1)C(F)(F)F |r|
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cn3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3)N1CCOC2 |r|
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCCO)n1
CC(C)\C=C\C(=O)Nc1nc(cs1)-c1sc(NC(C)=O)nc1C
CC(=O)Nc1nc(C)c(s1)-c1csc(n1)N(CCO)c1cccc(c1)C(C)=O
CC(=O)Nc1nc(C)c(s1)-c1csc(n1)N(CCO)C1CCCCC1
Cc1nc(NC(=O)OC(C)(C)C)sc1-c1csc(NCCO)n1
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(n1)N(CCO)C1CCCCC1
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCC(O)=O)n1
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCCCC(O)=O)n1
CC1CCC(CC1)Nc1nc(cs1)-c1sc(NC(C)=O)nc1C |(22.16,-31.77,;20.67,-32.16,;19.58,-31.07,;18.09,-31.48,;17.7,-32.96,;18.78,-34.05,;20.27,-33.65,;16.22,-33.36,;15.13,-32.27,;13.59,-32.35,;13.04,-30.91,;14.23,-29.95,;15.52,-30.79,;11.55,-30.52,;10.31,-31.43,;9.06,-30.52,;7.58,-30.91,;6.49,-29.83,;5.01,-30.23,;6.88,-28.35,;9.54,-29.06,;11.08,-29.06,;11.84,-27.72,)|
CC(=O)Nc1nc(C)c(s1)-c1csc(NCCO)n1
CC(=O)Nc1nc(C)c(s1)-c1csc(NC(=O)C=C)n1
CCC(=O)Nc1nc(cs1)-c1sc(NC(C)=O)nc1C
CC(=O)Nc1nc(C)c(s1)-c1csc(NC(=O)CBr)n1
CC(=O)c1cccc(c1)N(CCO)c1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C
CC(=O)Nc1nc(C)c(s1)-c1csc(NC2CCCCC2)n1
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCCC(O)=O)n1
Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCCO)n1
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(c2)C(O)=O)n1
CN(C1CCCCC1)c1nc(cs1)-c1sc(NC(C)=O)nc1C
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C
Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(C)=O |r|
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Oc1ccccc1 |r|
COc1ccc(cc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(C)nn12
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@@H](C1)NC(C)=O |r|
Cc1nsc(n1)N1CC2CCC(C1)C2Nc1nc2c(cccn2n1)-c1ccc(F)c(F)c1F |@@:13,TLB:4:6:13:9.10|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(C)ns1)[C@H]2Nc1nc2c(OCC(F)(F)F)cccn2n1 |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ns1)[C@H]2Nc1nc2c(OCC(F)(F)F)cccn2n1 |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ns1)[C@H]2Nc1nc2c(O[C@@H](C)C(F)(F)F)cccn2n1 |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1ccnc(c1)C(F)(F)F)[C@H]2Nc1nc2c(OCC(F)(F)F)cccn2n1 |r,TLB:9:7:19:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1nc(C)no1)[C@H]2Nc1nc2c(OCC(F)(F)F)ccc(n2n1)C(F)(F)F |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1nnc(C)o1)[C@H]2Nc1nc2c(OC(C)C(F)(F)F)ccc(n2n1)C(F)(F)F |r,TLB:9:7:15:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2c(OCC(F)F)ccc(n2n1)C(F)(F)F |r,TLB:9:7:16:3.2|
[H][C@]12CC[C@]([H])(CN(C1)c1nnc(C)o1)[C@H]2Nc1nc2c(O[C@@H](C)C(F)(F)F)ccc(n2n1)C(F)(F)F |r,TLB:9:7:15:3.2|
CNC(=O)c1ccc(cc1)-c1cnc2cnc(cn12)C(=O)N(C)c1ccc(Cl)cc1
CNC(=O)c1cncc(c1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
COc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1(C)C |r|
C[C@@H](C1CC1)N1Cc2cc-3cc(c2C1=O)S(=O)(=O)NCCOCCNC(=O)c1cccc(Nc2nc(C)c-3s2)n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(Nc2cccc(n2)N2CCCC2=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)NC1COC1)-c1sc(Nc2cccc(n2)N2CCOCC2=O)nc1C |r|
Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N
Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N
CCNS(=O)(=O)c1cc(ccc1OO)-c1c(C)nc2c(NCc3ccnc(CC)c3)cc(Cl)nn12
CNC(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1
CN(CC1OCCO1)C(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1
CC(=O)Nc1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1
NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2OCOc2c1
NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2[nH]ccc2c1
NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2[nH]cnc2c1
CC(=O)Nc1cccc(c1)-c1cc2ncnc(N)c2cc1C(N)=O
NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2cc[nH]c2c1
c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO
NC(=O)c1cc2c(N)ncnc2cc1-c1ccc2OCCc2c1
[H][C@]12CC[C@](CO)(C[C@H]1n1cnc3c(N)ncnc13)C2 |r|
CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(O)=O)ccc12 |r|
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |r,t:16|
Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)C1CCOCC1
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)C(C)(C)C)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)c2ccccc2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2ccccc2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)CCc2ccccc2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2ccccc2Cl)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2cccc(Cl)c2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2ccc(Cl)cc2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2cccc(F)c2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2cccc(C)c2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2ccc(C)cc2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2ccccc2OC)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2cccc(OC)c2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2ccc(OC)cc2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2cc(OC)cc(OC)c2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1C
CCN(CC)S(=O)(=O)c1cc(ccc1OC)-c1sc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)nc1C
COc1ccc(cc1S(=O)(=O)Nc1ccccc1)-c1sc(NC(=O)Cc2ccccc2)nc1C
COc1ccc(cc1NS(=O)(=O)c1ccccc1)-c1sc(NC(=O)Cc2ccccc2)nc1C
COc1ccc(cc1NS(=O)(=O)c1ccccc1F)-c1sc(NC(=O)Cc2ccccc2)nc1C
COc1ccc(cc1NS(=O)(=O)c1cccc(F)c1)-c1sc(NC(=O)Cc2ccccc2)nc1C
COc1ccc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1sc(NC(=O)Cc2ccccc2)nc1C
COc1ccc(cc1NS(=O)(=O)c1cccnc1)-c1sc(NC(=O)Cc2ccccc2)nc1C
COc1cc(CC(=O)Nc2nc(C)c(s2)-c2ccc(OC)c(NS(=O)(=O)c3ccccc3)c2)cc(OC)c1
Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1
CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1 |r|
CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)C(=N\O)\c1ccccc1
CC(C)(C)C(=O)Nc1nc(C(F)(F)F)c(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)s1
CC(C)(C)C(=O)Nc1nc(C(F)(F)F)c(-c2csc(Nc3ccc(O)c(C(=O)O)c3)n2)s1
CC(C)(C)C(=O)Nc1nc(C(F)(F)F)c(-c2csc(Nc3cc(C(=O)O)cc(C(F)(F)F)c3)n2)s1
O=C(O)c1cc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C(F)(F)F)cs2)cc(C(F)(F)F)c1
CC(C)(C)C(=O)Nc1nc(C(F)(F)F)c(-c2csc(Nc3cccc(C(=O)O)c3)n2)s1
Cc1cc(NCc2ccccc2)n2nc(C)c(-c3ccccc3)c2n1
COc1ccc(-c2c(C)nn3c(NCC4CCCO4)cc(C)nc23)cc1OC
COc1ccc(-c2c(C)nn3c(NCc4ccccc4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCc4cccc(O)c4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCc4ccc(O)cc4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCc4ccc5c(c4)OCO5)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCc4ccc(C#N)cc4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCc4ccc(S(C)(=O)=O)cc4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCCc4ccccc4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NCCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1F
COc1ccc(-c2c(C)nn3c(NC(C)c4cccc(S(C)(=O)=O)c4)ccnc23)cc1F
Cc1nn2c(NCc3cccc(S(C)(=O)=O)c3)ccnc2c1-c1ccc(O)c(F)c1
COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)cc(C)nc23)cc1F
Cc1cc(NCc2cccc(S(C)(=O)=O)c2)n2nc(C)c(-c3ccc(O)c(F)c3)c2n1
COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1S(=O)(=O)N(C)C
COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1S(=O)(=O)Nc1ccccc1
COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)ccnc23)cc1S(=O)(=O)Nc1ccccc1F
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1
CCC(=O)N1CCN(c2ccc(N3C(=O)CCc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1
Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1