Compound Name

SMILES String

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(F)cc(F)c1

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Br)cccc1Br |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-5.06,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|

COc1cccc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

COc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1

CN(C)c1cc(cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C)N(C)C

Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)|

Cc1cc(C)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

CCc1cc(CC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

Cc1cc(C)c(c(C)c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(6.24,5.02,;4.91,4.25,;3.58,5.02,;2.24,4.25,;.91,5.02,;2.24,2.71,;3.58,1.94,;3.51,.4,;4.82,2.53,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

CCc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(F)cccc1F |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;2.24,4.25,;.91,5.02,;3.58,5.02,;4.91,4.25,;4.91,2.71,;3.58,1.94,;3.58,.4,)|

CCOc1cccc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

COc1ccc(cc1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

Cc1cccc(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)|

Cc1c(C)c(C)c(c(C)c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(6.26,4.98,;4.91,4.25,;3.58,5.02,;3.58,6.56,;2.24,4.25,;.91,5.02,;2.24,2.71,;3.58,1.94,;3.51,.4,;4.82,2.53,;6.1,1.67,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|

CCN(CC)CCOc1ccc(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(7.58,11.95,;6.24,11.18,;6.24,9.64,;7.58,8.87,;8.91,9.64,;4.91,8.87,;4.91,7.33,;3.58,6.56,;3.58,5.02,;4.91,4.25,;4.82,2.53,;3.58,1.94,;3.51,.4,;2.24,2.71,;2.24,4.25,;.91,5.02,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Br |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;3.58,1.94,;3.58,.4,;4.91,2.71,;4.91,4.25,;3.58,5.02,;2.24,4.25,;.91,5.02,)|

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(Cl)c1Cl |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;3.58,1.94,;3.58,.4,;4.91,2.71,;4.91,4.25,;3.58,5.02,;3.58,6.56,;2.24,4.25,;.91,5.02,)|

CCOc1cc(OCC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

Cc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

Cc1ccc(cc1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cccc(Cl)c1Cl

COc1ccc(cc1OC)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N3[C@@H](CN4CCN(C)CC4)CCC3=O)c3ccccc3)C(=O)Nc2c1 |r|

Oc1ccccc1C(Nc1nccs1)c1ccc2cccnc2c1O

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)N(C)C

COc1cc2cc(N)cnc2cc1OC

COc1cc2cc(cnc2cc1OC)-c1cc(F)c(OC)c(F)c1

COc1cc2cc(cnc2cc1OC)-c1ccc(F)cc1

COc1cc2cccnc2cc1OC

COc1cc2cc(\C=C\c3ccccc3)cnc2cc1OC

Fc1cccc2ncc(cc12)-c1ccsc1

COc1cc2cc(CCC3CCCCC3)cnc2cc1OC

COc1cc2cc(cnc2cc1OC)C#CC1CCCCC1

COc1cc2cc(cnc2cc1OC)-c1ccccc1

CCOC(=O)c1ccc(cc1)-c1cnc2cc(OC)c(OC)cc2c1

COc1cc2cc(NCc3ccccc3)cnc2cc1OC

COc1ccc(\C=C\c2cnc3cc(OC)c(OC)cc3c2)cc1

COc1cc2cc(cnc2cc1OC)-c1ccc(O)cc1

COc1cc2cc(cnc2cc1OC)-c1ccc(=O)[nH]c1

C1Oc2cc3cc(cnc3cc2O1)-c1ccsc1

COc1ccc(cc1[N+]([O-])=O)-c1cnc2cc(OC)c(OC)cc2c1

Cc1cc(C)c2cc(cnc2c1)-c1ccsc1

COc1cc2cc(cnc2cc1OC)-c1ccc(Cl)c(Cl)c1

COc1ccc2ncc(cc2c1)-c1ccsc1

COc1cc2cc(cnc2cc1OC)[N+]([O-])=O

COc1cc2cc(cnc2cc1OC)-c1ccc(Cl)s1

COc1cc2cc(cnc2cc1OC)-c1ccc(C)cc1

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)C(O)=O

COc1cc2cc(cnc2cc1OC)-c1cccs1

COc1cc2cc(cnc2cc1OC)-c1sccc1Cl

COc1cc2cc(cnc2cc1OC)-c1ccc(OCc2ccccc2)cc1

COc1cc2cc(cnc2cc1OC)-c1cccc(F)c1

Fc1ccc2cc(cnc2c1)-c1ccsc1

Fc1cc2cc(cnc2cc1F)-c1ccsc1

COc1ccc(s1)-c1cnc2cc(OC)c(OC)cc2c1

COc1ccc2cc(cnc2c1OC)-c1cccnc1

COc1ccc(c(OC)c1)-c1cnc2cc(OC)c(OC)cc2c1

c1cc(cs1)-c1cnc2ccccc2c1

Oc1cc2cc(cnc2cc1O)-c1cccnc1

COc1cc2cc(cnc2cc1OC)-c1c[nH]c2ccccc12

COc1cc2cc(cnc2cc1OC)-c1ccsc1

COc1cc2cc(cnc2cc1OC)C1CCCC1

Cc1ccc(C)c2ncc(cc12)-c1ccsc1

COc1ccc(cc1F)-c1cnc2cc(OC)c(OC)cc2c1

COc1ccc(CCc2cnc3cc(OC)c(OC)cc3c2)cc1

COc1ccc(cc1C)-c1cnc2cc(OC)c(OC)cc2c1

COc1ccc(\C=C(/C#N)c2cccnc2)cc1OC

COc1cc2cc(cnc2cc1OC)-c1ccc(F)c(F)c1

Clc1cc2cc(cnc2cc1Cl)-c1ccsc1

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)[N+]([O-])=O

COc1cc2cc(cnc2cc1OC)C#Cc1ccccc1

COc1cccc(c1)-c1cnc2cc(OC)c(OC)cc2c1

COc1ccc(cc1)-c1cnc2cc(OC)c(OC)cc2c1

COc1cc2cc(OCc3ccccc3)cnc2cc1OC

COc1cc2cc(cnc2cc1OC)-c1cc(OC)c(OC)c(OC)c1

COc1cc2cc(cnc2cc1OC)-c1ccc(cc1)-c1ccccc1

COc1cc2cc(cnc2cc1OC)-c1cccnc1

COc1ccc(cc1OC)-c1cnc2cc(OC)c(OC)cc2c1

C(=C/c1cnc2ccccc2c1)\c1ccccc1

COc1cc2cc(cnc2cc1OC)C1=CCCC1 |t:16|

COc1cc2cc(cnc2cc1OC)-c1ccccc1OC

COc1cc(OC)c2cc(cnc2c1)-c1ccsc1

COc1ccc2cc(cnc2c1OC)-c1c[nH]c2ccccc12

COc1ccc2cc(cnc2c1)-c1ccsc1

c1[nH]c2ccccc2c1-c1cnc2ccccc2c1

COc1ccc(cn1)-c1cnc2cc(OC)c(OC)cc2c1

COc1cc2cc(cnc2cc1OC)-c1ccncc1

Oc1cc2cc(cnc2cc1O)-c1ccncc1

Oc1cc(O)c2cc(cnc2c1)-c1ccncc1

COc1ccc2ncc(-c3ccncc3)c(C)c2c1

Clc1ccc2cc(cnc2c1)-c1ccncc1

Oc1ccc2cc(cnc2c1)-c1ccncc1

COc1ccc2c(C)c(cnc2c1)-c1ccncc1

c1ccc2ncc(cc2c1)-c1ccncc1

COc1cc(OC)c2cc(cnc2c1)-c1ccncc1

COc1cc2ncc(cc2c(OC)c1OC)-c1ccncc1

COc1ccc2ncc(cc2c1)-c1ccncc1

COc1ccc2cc(cnc2c1)-c1ccncc1

O=C1NC(=O)c2cc(Nc3ccc(cc3)-c3ccccc3)c(Nc3ccc(cc3)-c3ccccc3)cc12

CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1

COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1

Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1

CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O

Cc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(C)cc2)cc1

O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12

COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(OC)cc2)cc1

O=C1N(C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12)c1ccccc1

CC(=O)N(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1

Cn1cnc2c1C(=O)NC(=O)N2C

CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-6.72,-6.82,;-8.2,-7.22,;-9.29,-6.13,;-10.38,-7.22,;-11.71,-6.45,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|

CCN(CC)CCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-13.08,-10.99,;-11.59,-10.59,;-10.82,-9.26,;-9.48,-10.03,;-8.4,-8.94,;-11.59,-7.93,;-10.82,-6.59,;-10.82,-5.05,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,)|

Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|

CCN(CC)CCOc1ccc(Nc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)cc1 |(2.14,-2.63,;2.14,-4.18,;.81,-4.94,;-.53,-4.18,;-.53,-2.63,;.81,-6.47,;2.14,-7.25,;2.15,-8.79,;3.48,-9.56,;3.48,-11.11,;4.81,-11.87,;6.14,-11.1,;7.47,-11.87,;8.8,-11.1,;8.8,-9.56,;10.13,-8.78,;11.47,-9.55,;12.8,-8.78,;14.14,-9.55,;14.14,-11.1,;15.47,-11.87,;15.47,-13.41,;14.13,-14.18,;16.8,-14.19,;16.79,-15.73,;18.13,-16.5,;15.45,-16.49,;17.89,-14.64,;12.8,-11.87,;11.46,-11.09,;10.13,-11.87,;15.47,-8.79,;15.47,-7.26,;14.14,-6.49,;16.8,-6.49,;18.15,-7.26,;18.13,-8.8,;16.8,-9.57,;16.8,-11.11,;6.14,-9.56,;4.81,-8.79,)|

Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2n(C)c1=O

Cn1c2nc(Nc3ccc(CC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-7.38,-7.93,;-5.84,-7.93,;-8.15,-9.26,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

Cn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|

CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C

CN1CCN(CC1)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.03,-11.21,;-8.03,-9.67,;-9.39,-8.95,;-9.45,-7.41,;-8.15,-6.59,;-6.79,-7.31,;-6.73,-8.85,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|

Cn1c2nc(NCCCN3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-8.92,-3.31,;-8.52,-4.79,;-9.18,-6.13,;-8.09,-7.22,;-8.49,-8.7,;-9.97,-9.1,;-11.06,-8.01,;-10.66,-6.53,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 |(30.19,-24.55,;28.88,-23.74,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,;30.29,-21.47,)|

CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;1.49,-3.52,;.16,-4.29,;.16,-5.83,;1.49,-6.6,;2.83,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|

CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1 |(-10.37,-10.59,;-9.97,-9.1,;-8.49,-8.7,;-8.09,-7.22,;-9.18,-6.13,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-10.66,-6.53,;-11.06,-8.01,)|

CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|

Cn1c2ncncc2cc(-c2c(Cl)cccc2Cl)c1=O |(4.31,-8.43,;4.32,-6.89,;2.98,-6.1,;1.65,-6.89,;.32,-6.12,;.32,-4.57,;1.65,-3.79,;2.99,-4.57,;4.32,-3.79,;5.66,-4.57,;6.99,-3.81,;6.99,-2.28,;5.66,-1.5,;8.32,-1.5,;9.67,-2.28,;9.65,-3.82,;8.32,-4.59,;8.32,-6.12,;5.66,-6.12,;6.99,-6.89,)|

CN(C)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-8.15,-1.97,;-8.15,-.43,;-9.48,.34,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|

CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C

Oc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1

COc1cc(O)c2c(O)c(cnc2c1)-c1cccc(Cl)c1

COc1cc(O)c2c(c1)n(CCc1ccccc1)cc(-c1cccc(Cl)c1)c2=O

COc1cc(OC)c2c(c1)occ(-c1cccc(Cl)c1)c2=O

COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl

Oc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O

COc1cc(O)c2c(c1)n(C)cc(-c1cccc(Cl)c1)c2=O

COc1cc(O)c2c(c1)occ(-c1cccc(Cl)c1)c2=O

COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc12

COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12

COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12

Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1

COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12

CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|

COc1cc2cc(OC3CCCCC3)cnc2cc1OC

COc1cc2ncc(NC3CCCC(C)C3)nc2cc1OC

COc1cc2cc(NC3CCCCC3)cnc2cc1OC

COc1cc2ncc(NC3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|

COc1cc2ncc(SC3CCCC3)nc2cc1OC

N(c1ccccc1)c1cnc2ccccc2n1

Cc1cc2ncc(Nc3ccccc3)nc2cc1C

COc1cc2ncc(N[C@H]3CC[C@H](O)CC3)nc2cc1OC |wU:12.12,wD:9.8,(-.13,-6.56,;-.13,-5.02,;1.2,-4.25,;2.53,-5.02,;3.88,-4.23,;5.21,-5,;6.54,-4.23,;6.54,-2.69,;7.85,-1.9,;9.2,-2.67,;9.2,-4.21,;10.53,-4.98,;11.86,-4.21,;13.19,-4.98,;11.86,-2.67,;10.53,-1.9,;5.19,-1.92,;3.88,-2.69,;2.53,-1.92,;1.2,-2.71,;-.13,-1.94,;-.13,-.4,)|

COc1cc2ncc(NC3CCCC3)nc2cc1OC

COc1cc2ncc(Nc3cccc(Cl)c3)nc2cc1OC

COc1ccc2nc(Nc3ccccc3)cnc2c1

COc1ccc2ncc(Nc3ccccc3)nc2c1

COc1cc2ncc(O[C@H]3CC4CCC3C4)nc2cc1OC |r,THB:8:9:15:13.12|

COc1cc2ncc(N[C@@H]3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|

COc1cc2ncc(Nc3ccccc3)nc2cc1OC

COc1cc2ncc(OC3CCCC3)nc2cc1OC

COc1cc2ncc(OC3CCCCC3)nc2cc1OC

COc1cc2ncc(N[C@H]3CC4CCC3C4)nc2cc1OC |THB:8:9:15:13.12|

COc1cc2ncc(O[C@@H]3CC4CCC3C4)nc2cc1OC |r,THB:8:9:15:13.12|

COc1cc2ncc(NC3CCCCC3)nc2cc1OC

COc1cc2ncc(NCc3ccccc3)nc2cc1OC

COC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1 |(8.36,2.63,;7.03,3.39,;5.7,2.62,;5.71,1.09,;4.37,3.39,;4.36,4.92,;3.03,5.69,;1.71,4.92,;1.71,3.37,;3.03,2.62,;.38,5.68,;-.95,4.9,;-.95,3.35,;-2.28,2.57,;-3.62,3.34,;-4.95,2.57,;-6.27,3.34,;-7.62,2.57,;-7.62,1.04,;-6.27,4.89,;-7.62,5.67,;-8.95,4.89,;-4.95,5.67,;-3.62,4.89,;-2.3,5.67,)|

COc1cc2ncc(NC3CCC(CC3)C(N)=O)nc2cc1OC |(-7.56,-1.47,;-7.56,.07,;-6.22,.84,;-4.89,.07,;-3.55,.84,;-2.23,.07,;-.88,.85,;-.88,2.4,;.44,3.18,;1.78,2.41,;3.1,3.19,;4.43,2.42,;4.43,.88,;3.1,.11,;1.78,.88,;5.76,.12,;5.77,-1.42,;7.1,.88,;-2.23,3.16,;-3.55,2.39,;-4.89,3.16,;-6.22,2.37,;-7.56,3.16,;-8.88,2.39,)|

CNC(=O)C1CCC(CC1)Nc1cnc2cc(OC)c(OC)cc2n1 |(7.11,-2.19,;5.77,-1.42,;5.76,.12,;7.1,.88,;4.43,.88,;4.43,2.42,;3.1,3.19,;1.78,2.41,;1.78,.88,;3.1,.11,;.44,3.18,;-.88,2.4,;-.88,.85,;-2.23,.07,;-3.55,.84,;-4.89,.07,;-6.22,.84,;-7.56,.07,;-7.56,-1.47,;-6.22,2.37,;-7.56,3.16,;-8.88,2.39,;-4.89,3.16,;-3.55,2.39,;-2.23,3.16,)|

COc1cc2ncc(N[C@@H]3CC[C@H](O)[C@@H](C)C3)nc2cc1OC

COc1cc2ncc(N[C@@H]3CC[C@H](O)CC3)nc2cc1OC |wD:9.8,12.12,(3.37,-6.65,;3.37,-5.12,;4.71,-4.35,;6.03,-5.12,;7.37,-4.35,;8.7,-5.12,;10.05,-4.33,;10.03,-2.79,;11.36,-2.01,;12.7,-2.78,;14.01,-2,;15.35,-2.77,;15.35,-4.31,;16.68,-5.07,;14.03,-5.08,;12.7,-4.31,;8.7,-2.03,;7.37,-2.8,;6.03,-2.03,;4.71,-2.81,;3.37,-2.03,;2.05,-2.8,)|

COc1cc2ncc(N[C@@H]3CC4CC3C[C@H]4O)nc2cc1OC |TLB:16:15:12:9.10,8:9:12:14.15|

COc1cc2c(Oc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3)ccnc2cc1OCCNCCO

c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3

CCCCCCS[C@@H]1[C@@H](CCC)N([C@H]([C@@H]1C(O)=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 |r|

CC(C)(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1

CC(C)N(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1

CC(C)(Nc1nc(NO)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1

CCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|

CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|

OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1

COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1

CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1

Fc1cc(Cl)c(Cl)cc1Nc1ncnc2ccc(NC(=O)CCl)cc12

COc1ccc2[nH]c(Cc3cc4ccccc4[nH]3)cc2c1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Br)cccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1

COc1ccc2[nH]c(Cc3cc4cc(F)ccc4[nH]3)cc2c1

COc1cccc2cc([nH]c12)C(=O)c1cc2cc(O)ccc2[nH]1

O=C(c1cc2ccccc2[nH]1)c1cc2cc(Oc3ccccc3)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(Cl)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2ccccc2[nH]1

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cccc(Cl)c2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(F)cc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1

Cc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(Br)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(C)cc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cccc(F)c2[nH]1

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

Cc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(C)cccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(Cl)cc2[nH]1

COc1cccc2[nH]c(cc12)C(=O)c1cc2ccccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Cl)cccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1

CCc1cccc2cc([nH]c12)C(=O)c1cc2cc(O)ccc2[nH]1

Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(F)cc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(C)ccc2[nH]1

Cc1cc2ncc(nc2cc1C)-c1ccccc1

COc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(F)ccc2[nH]1

Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1

COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Cl)cccc2[nH]1

C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1

CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccsc4)-c3c2)CC1

[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnc(cn1)C(=O)NCCOCCOCCOc1cc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c3cccc(c1)c23)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1 |r|

CN(C)CCNC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)c(F)c1

CN1CCC(C1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|

COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)[S@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|

Nc1nc(N[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O |r|

CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1

COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1

COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1

Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1

Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1

Cc1c(COc2cc(F)c(CNCC(O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CCCC1CC(=O)N1

Cc1c(COc2cc(CNCC(O)CC(O)=O)ccc2C(F)(F)F)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3ccc(OC(F)(F)F)cc3)c(cc2Cl)N2CCCCC2C(O)=O)cccc1-c1ccccc1

Cc1c(COc2ccc(C[C@H](N)C(O)=O)cc2Br)cccc1-c1ccccc1 |r|

CC(O)[C@H](NCc1cc2C(=O)N(C(=O)c2cc1OCc1cccc(c1)C#N)c1cccc(c1C)-c1ccccc1)C(O)=O |r|

CC(C)c1cc(C(=O)N2CCc3c(C2)sc2ncnc(N4CCOCC4)c32)c(O)cc1O

c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl

CC[C@@H](C)[C@@H](ONC(=O)[C@H](ONC(=O)[C@@H](Cc1ccccc1)ONC(=O)[C@@H](Cc1ccccc1)ONC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)NO[C@H](CC(C)C)C(=O)NO[C@H](CC(C)C)C(N)=O |r|

Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1

ONC(=O)c1cccc(c1)C(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)c1ccc(CCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1

ONC(=O)CCc1ccc(cc1)C(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)CCc1cccc(c1)C(=O)NCC1CCN(Cc2ccccc2)CC1

COc1cc(CCC(=O)NO)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)c1ccc(\C=C\C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1

ONC(=O)\C=C\c1ccc(cc1)C(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)\C=C\c1cccc(c1)C(=O)NCC1CCN(Cc2ccccc2)CC1

COc1cc(\C=C\C(=O)NO)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)c1ccc(cc1)S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)c1cccc(c1)S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)CCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)CCCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)CCCCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)c1ccc(cc1)C(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)c1cccc(c1)C(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)c1ccc(CCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1

Nc1ccccc1NC(=O)CCc1ccc(cc1)C(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)CCc1cccc(c1)C(=O)NCC1CCN(Cc2ccccc2)CC1

COc1cc(CCC(=O)Nc2ccccc2N)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)c1ccc(\C=C\C(=O)NCC2CCN(Cc3ccccc3)CC2)cc1

Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)\C=C\c1cccc(c1)C(=O)NCC1CCN(Cc2ccccc2)CC1

COc1cc(\C=C\C(=O)Nc2ccccc2N)ccc1C(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)CCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)CCCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1

Nc1ccccc1NC(=O)c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1

Nc1ccccc1NC(=O)CCCCCCCC(=O)NCC1CCN(Cc2ccccc2)CC1

ONC(=O)c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1

c1ccc(cc1)NC(=O)CCCCCCC(=O)NO

c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

CN(C)c1ccc(NC(=O)NCCCCNC(=O)CS)cc1

CC(C)C(NC(=O)CCNC(=O)CS)C(=O)Nc1cnc2ccccc2c1

CC(C)C(NC(=O)CCCNC(=O)CS)C(=O)Nc1cnc2ccccc2c1

Cc1onc(c1C(=O)NCCCCCNC(=O)CS)-c1ccccc1

CC(S)C(=O)NCCCCCNC(=O)c1c(C)onc1-c1ccccc1

C[C@@H](S)C(=O)NCCCCCNC(=O)c1c(C)onc1-c1ccccc1 |r|

C[C@H](S)C(=O)NCCCCCNC(=O)c1c(C)onc1-c1ccccc1 |r|

Cc1onc(c1C(=O)NCCCCCNC(=O)C(C)(C)S)-c1ccccc1

CC(S)C(=O)NCCCCCOCc1c(C)onc1-c1ccccc1

C[C@@H](S)C(=O)NCCCCCOCc1c(C)onc1-c1ccccc1 |r|

C[C@H](S)C(=O)NCCCCCOCc1c(C)onc1-c1ccccc1 |r|

Cc1onc(c1C=CCCCCCNC(=O)CS)-c1ccccc1

CC(S)C(=O)NCCCCCC=Cc1c(C)onc1-c1ccccc1

Cc1onc(c1C=CCCCCCNC(=O)C(C)(C)S)-c1ccccc1

CC(S)C(=O)NCc1ccc(\C=C\c2c(C)onc2-c2ccccc2)cc1

Cc1onc(c1\C=C\c1ccc(CNC(=O)C(C)(C)S)cc1)-c1ccccc1

CC(S)C(=O)NCCCCCC#Cc1c(C)noc1-c1ccccc1

CC(S)C(=O)NCCCCCC#Cc1c(C)noc1-c1cccc(F)c1

Cc1noc(c1C#CCCCCCNC(=O)C(C)(C)S)-c1ccccc1

Cc1noc(c1C#CCCCCNC(=O)C(C)(C)S)-c1ccccc1

CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3

COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1

COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1

CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2

COc1ccc(cc1OC(F)F)-c1ccc(O)nn1

CC(=O)OCCOc1nc(Oc2ccc3B(O)OCc3c2)ccc1C#N

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC\C=C/CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N([C@@H](C)C(O)=O)c1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O |c:12|

Fc1cc(cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(O[C@@H]2CCNC2)c(c1)C1CCCCC1)N1CCNCC1 |r|

NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|

NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1|

Brc1cc2c([nH]1)C(=O)NCC\C2=C1\NC(=O)NC1=O

NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:3.2,t:1|

C\1CNC(=O)c2c(c(c([nH]2)Cl)Cl)/C1=C\3/C(=O)N=C(N3)N

NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]cc(Br)c12 |t:1|

CC(=O)NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)c(Br)c12 |t:4|

CCNC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)c(Br)c12 |t:3|

NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |t:1|

NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c3ccc(Cl)cc3c12 |t:1|

NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c3ccc(F)cc3c12 |t:1|

NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1|

Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1

O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ncccc2N1

O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ccccc2N1

O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1

[O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1

Brc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1

Brc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1

O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12

Brc1[nH]c2c(c1Br)\C(CCNC2=O)=N\Nc1ccccn1

Fc1ccc2[nH]c3c(\C(CCNC3=O)=N\Nc3ccc(Cl)cn3)c2c1

Fc1ccc2[nH]c3c(\C(CCNC3=O)=N\Nc3cccnc3)c2c1

Fc1ccc2[nH]c3c(\C(CCNC3=O)=N\Nc3cccnc3Cl)c2c1

COc1ccc2N(CC(=O)NC[C@H]3CC[C@@H](CC3)Nc3nc4ccccc4[nH]3)C(=O)CCC(CC(O)=O)c2c1 |r,wU:12.11,wD:15.18,(-10.48,2.17,;-9.15,2.94,;-7.81,2.17,;-7.81,.63,;-6.47,-.14,;-5.13,.63,;-3.93,-.33,;-4.32,-1.82,;-3.24,-2.9,;-3.63,-4.39,;-1.75,-2.51,;-.66,-3.59,;.83,-3.2,;1.23,-1.71,;2.71,-1.31,;3.8,-2.4,;3.4,-3.89,;1.92,-4.29,;5.29,-2,;6.38,-3.09,;6.14,-4.61,;7.51,-5.31,;7.91,-6.8,;9.4,-7.19,;10.48,-6.11,;10.08,-4.62,;8.6,-4.22,;7.9,-2.85,;-2.43,.01,;-1.34,-1.07,;-1.76,1.41,;-2.43,2.78,;-3.93,3.13,;-4.32,4.61,;-3.24,5.7,;-1.75,5.3,;-3.63,7.19,;-5.13,2.18,;-6.48,2.95,)|

OC(=O)CC1CCC(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc12

OC(=O)CC1CCC(=O)N(CC(=O)NC[C@H]2CC[C@@H](CC2)Nc2nc3ccccc3[nH]2)c2ccccc12 |r,wU:15.14,wD:18.21,(-3.08,5.3,;-4.57,5.7,;-4.97,7.19,;-5.66,4.61,;-5.26,3.13,;-3.76,2.78,;-3.1,1.41,;-3.76,.01,;-2.67,-1.07,;-5.26,-.33,;-5.66,-1.82,;-4.57,-2.9,;-4.97,-4.39,;-3.08,-2.51,;-1.99,-3.59,;-.51,-3.2,;-.11,-1.71,;1.38,-1.31,;2.47,-2.4,;2.07,-3.89,;.58,-4.29,;3.96,-2,;5.05,-3.09,;4.81,-4.61,;6.18,-5.31,;6.58,-6.8,;8.07,-7.19,;9.15,-6.11,;8.75,-4.62,;7.27,-4.22,;6.57,-2.85,;-6.46,.63,;-7.8,-.14,;-9.14,.63,;-9.15,2.17,;-7.81,2.95,;-6.46,2.18,)|

COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3

FCOc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1 |r|

[18F]CCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12

[11CH3]n1nnc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)n1

CC(C)Cn1c2nn(Cc3ccc(cc3)C3CCCN3C)c(Nc3ccccc3)c2c(=O)n(C)c1=O

CCC(CC)Nc1ncnc2c(OC)c(OC)ccc12

Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl

C\C(\C=C\C1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|

C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C

CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|

COc1cc(NC(=O)CCCCCCC(=O)NO)ccc1Nc1nccc(n1)-c1cn(C)c2ccccc12

ONC(=O)CCCCCCNc1ccc2ncnc(Nc3ccc(F)cc3)c2n1

ONC(=O)CCCCCCn1cc(Nc2ncc(Cl)c(Nc3ccc(Cl)cc3)n2)cn1

CCN1CCN(Cc2cc(Nc3ncc(s3)C(=O)Nc3ccccc3N)nc(C)n2)CC1

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccnc2)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F

[H][C@@]1(O[C@@H]2O[C@@H](C)[C@H](C)[C@@H](C)[C@H]2C)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1 |r|

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccnc(Cl)c2)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccnc(NCc3ccccc3)c2)cc1C(F)(F)F

CNc1cc(ccn1)-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(c2)C(F)(F)F)n1

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(F)cc2)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(Cl)cc2)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(C)cc2)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C#N)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)[N+]([O-])=O)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(F)c2)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1C(F)(F)F

COc1cccc(c1)-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(c2)C(F)(F)F)n1

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(c2)C#N)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cccc(c2)[N+]([O-])=O)cc1C(F)(F)F

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc3ccccc3c2)cc1C(F)(F)F

OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

[H][C@@]12CC[C@@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@@H](O[C@]43CCCO3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc3ccccc3)[C@@]1(C)CC[C@@H](C2)OC |r|

[H][C@@]12CC[C@@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@@H](O[C@]43CCCO3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O)[C@@]1(C)CC[C@@H](C2)OC |r|

Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

Clc1ccc(cc1)-c1nc(NCCc2ccccc2)nc2c(cnn12)C(=O)NCCc1ccccc1

CCOC(=O)c1cnn2c(nc(NCc3ccccc3)nc12)-c1ccc(Cl)cc1

C\C(=N/N=C/c1ccccc1)c1c(O)c2ccccc2oc1=O

COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1c(O)c2ccccc2oc1=O |c:13|

CN(C)c1ccc(cc1)-c1cc(nc(N)c1C#N)-c1c(O)c2ccccc2oc1=O

CC(=O)c1sc(N\N=C(/C)C2Cc3cc(Br)ccc3OC2=O)nc1C

CCOC(=O)c1sc(N\N=C(/C)C2Cc3ccccc3OC2=O)nc1C

CCOC(=O)c1sc(N\N=C(/C)C2Cc3cc(Cl)ccc3OC2=O)nc1C

CCOC(=O)c1sc(N\N=C(/C)C2Cc3cc(Br)ccc3OC2=O)nc1C

Clc1ccccc1Nc1nc(SCCc2ccccc2)nc2[nH]ncc12

CCCCCSc1nc(Nc2ccccc2Cl)c2cn[nH]c2n1

[O-][N+](=O)c1cccc(Nc2nc(SCCc3ccccc3)nc3[nH]ncc23)c1

CCCCCSc1nc(Nc2ccc(SC)cc2)c2cn[nH]c2n1

O=C(Oc1nc(SCCc2ccccc2)nc2[nH]ncc12)c1cc2ccccc2o1

CCCCCSc1nc(OC(=O)c2cc3ccccc3o2)c2cn[nH]c2n1

CCCCCSc1nc(OC(=O)c2ccccc2)c2cn[nH]c2n1

CCCCCSc1nc(OC(=O)CC(C)(C)C)c2cn[nH]c2n1

CCCCCSc1nc(OC(=O)c2ccco2)c2cn[nH]c2n1

O=C(N1CCOCC1)c1cnn(c1)-c1cc(NCc2ccccc2)ncn1

Fc1ccc(NC(=O)c2cnn(c2)-c2cc(NCc3ccccc3)ncn2)cc1

COc1ccc(NC(=O)c2cnn(c2)-c2cc(NCc3ccccc3)ncn2)cc1

Oc1ccc(NC(=O)c2cnn(c2)-c2cc(NCc3ccccc3)ncn2)cc1

CN1CCN(CC1)C(=O)c1cnn(c1)-c1cc(NCc2ccccc2)ncn1

CCC(CO)Nc1nc(NCc2ccccn2)c2ncn(CC)c2c1[N+]([O-])=O

Clc1ccccc1-c1c[nH]c(=O)n2ccnc12

Fc1ccccc1-c1c[nH]c(=O)n2ccnc12

Oc1ccc(cc1)-c1c[nH]c(=O)n2ccnc12

Fc1cccc(c1F)-c1c[nH]c(=O)n2ccnc12

CN(C)CC(=O)Nc1cc(Nc2ncc(F)c(Nc3c(F)cccc3F)n2)ccc1F

CN(C)CCC(=O)Nc1cccc(Nc2ncc(F)c(Nc3c(F)cccc3F)n2)c1

CC[C@H](CO)Nc1nc(NCc2ccccc2N)c2[nH]nc(C(C)C)c2n1 |r|

ONC(=O)CCCn1cc(CNC2CCCCC2)c(n1)-c1ccccc1

ONC(=O)CCCn1cc(CNC2CC2)c(n1)-c1ccccc1

COc1cc(\C=C2/N=C(N(C2=O)n2c(SCC(=O)NO)nnc2-c2ccccc2)c2ccccc2)ccc1O |c:7|

ONC(=O)CCC(=O)Nc1nnc(s1)-c1ccc(Cl)cc1

ONC(=O)CCC(=O)Nc1nnc(s1)-c1ccc(O)cc1

CC(C)c1ccc(cc1)C(C)c1nnc(NC(=O)CCC(=O)NO)s1

Cc1c(CCNS(=O)(=O)c2ccc(\C=C\C=C\C(=O)NO)cc2)c2ccccc2n1C

CCn1c(C)c(CCNS(=O)(=O)c2ccc(\C=C\C=C\C(=O)NO)cc2)c2ccccc12

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(COCCCCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(OCCCCCCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(OCCCCCCCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(COCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(COCCCCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(COCCCCCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(COCCCCCCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(COCCCCCCCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(OCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(OCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(OCCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(OCCCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(OCCCCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(COCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(COCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(COCCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1ccc(COCCCCCCC(=O)NO)cc1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(OCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(OCCCCC(=O)NO)c1

CC(C)n1cnc2c(nc(nc12)N1CCOCC1)-c1cccc(OCCCCCC(=O)NO)c1

COc1cc2ncn(Cc3ccc(cc3)C(=O)NO)c(=O)c2cc1OC

Cc1nc2ccc(Cl)cc2c(=O)n1Cc1ccc(cc1)C(=O)NO

ONC(=O)\C=C\c1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1

Cc1ccc2c(c1)ncn(Cc1ccc(\C=C\C(=O)NO)cc1)c2=O

[H][C@@]12CN(CCCCCC(=O)NO)CCN1[C@@H](c1[nH]c3ccccc3c1C2)c1ccc(Br)cc1 |r|

CC(=O)N[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC1n1cc(nn1)[C@@](C)(O)c1cccc(F)c1 |r|

CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCCOC |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC#C |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCC1CCCCC1 |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1 |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1cccc(C)c1 |r,c:24,t:14,16,19|

[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OCc1ccccc1C |r,c:24,t:14,16,19|

COc1ccc(CCc2nc3ccc(cc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|

Cc1c(C(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C

CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCC(N)=O |r|

CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(NC(=O)[C@H](CC(O)=O)NC(=O)CN(C)CN(C)C1=O)C(C)C)C(=O)NCC(N)=O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(N)=O |r|

Cc1c(COc2ncc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCNC(C)=O

Cc1c(COc2cc(F)c(CNC[C@@H](O)CC(O)=O)cc2F)cccc1-c1ccc2OCCOc2c1 |r|

Cc1cc(CN[C@H](CO)C(O)=O)c(OCc2cccc(c2)C#N)cc1OCc1cccc(c1C)-c1ccc2OCCOc2c1 |r|

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@H](O)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN[C@H]4CC[C@H](C4)C(O)=O)cc(C#N)c3o2)c1C |r|

Cc1c(cccc1-c1ccccc1)-c1nc2cc(CNCCO)ccc2o1

C[C@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nccc2c1 |r|

Cc1c(cccc1-c1ccccc1)-c1nc2cc(CNCCO)c(OCCN3CCOCC3)cc2o1

CC(C)N(C)CC(=O)N1Cc2nc(sc2C1)-c1cccc(c1C)-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C |r|

Cc1cc(CNCCO)cc2nc(oc12)-c1cccc(c1C)-c1ccc2OCCOc2c1

Cc1c(cccc1-c1cccc(-c2nc3cc(CN4CC[C@](C)(C4)C(O)=O)cc(C#N)c3o2)c1C)-c1nc2CN(Cc2o1)C(=O)CN1CCC(O)CC1 |r|

Cc1c(cccc1-c1ccc2OCCOc2c1)-c1nc2cc(CNCCO)c(OCC#N)cc2o1

Cc1nn(-c2ccccc2)c2nc(C)nc(OCC(=O)N\N=C\c3ccc(Cl)cc3)c12

Cc1c(Cl)ccc2cc(\C=C\C(=O)c3ccc(Br)cc3)c(Cl)nc12

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F

COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F

NCC1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(O)=O)cc1 |r,wU:11.12,wD:5.8,(-10,-3.08,;-8.67,-3.85,;-7.33,-3.08,;-7.33,-1.54,;-6,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-3.85,;-3.33,-.77,;-3.33,.77,;-2,-1.54,;-.66,-.77,;-.66,.77,;.67,1.54,;.67,3.08,;2,3.85,;3.34,3.08,;3.34,1.55,;2.01,.77,;.67,-1.54,;.67,-3.08,;2,-.77,;3.34,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.33,-3.85,;8.67,-3.08,;10,-3.85,;8.67,-1.54,;4.67,-3.85,;3.34,-3.08,)|

CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1

ONC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccc3ccccc3c2)c2ccccc2)cc1 |r|

ONC(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3ccccc23)c2ccccc2)cc1 |r|

ONC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccc(Br)c2)c2ccccc2)cc1 |r|

CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 |r|

ONC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 |r|

OC(=O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(CN5CCN(CC5)c5ccccc5)n(Cc5ccccc5)c4=O)CC3)c(F)cc2c1=O

CCn1cc(-c2nnc(Nc3ccc(OC)cc3)o2)c(=O)c2cc(Br)c(C)nc12

CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O

CCn1cc(-c2nc(NC(=O)c3ccccc3)n[nH]2)c(=O)c2ccc(C)nc12

CCn1cc(-c2nc(\N=C\c3ccc(Br)cc3)n[nH]2)c(=O)c2cc(Br)c(C)nc12

CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(cc12)N1CCN(CC#N)CC1

CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1

c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4

Fc1ccc2c3ocnc3c(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1

O=C1COc2ccc(CNC3CCN(CCn4c5cccnc5c5conc5c4=O)CC3)nc2N1

COc1ccc2c3conc3c(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1

Fc1ccc2c3conc3c(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1

Fc1ccc2c3conc3c(=O)n(CCN3CCC(CC3)NCc3nc4NC(=O)COc4cc3F)c2c1

COc1ccc2c3conc3c(=O)n(CCN3CCC(CC3)NCc3nc4NC(=O)COc4cc3F)c2c1

OC(=O)C(=O)Nc1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)cc1

c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br

OC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1

OC(=O)CNC(=O)Cc1csc(NC(=O)c2cc(Br)c(Br)[nH]2)n1

CC(C)COc1cc(ccc1NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)NCC(O)=O

OC(=O)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(Br)c(Br)[nH]2)cc1 |r|

COC(=O)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(Br)c(Br)[nH]2)cc1 |r|

COc1cc(ccc1NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)NCC(O)=O

COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c(OCC(C)C)c1

Cc1nn(c(Cl)c1C(=O)Oc1ncn(n1)-c1ccccc1)-c1ccc(C)cc1

CCNC(=O)Nc1nc2ccc(NC(=O)Cc3csc(NC(=O)OC(C)(C)C)n3)cc2s1

CCNC(=O)Nc1nc2ccc(NC(=O)Cc3csc(NC(C)=O)n3)cc2s1

CCn1cc(C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC2CCCCC2)C(N)=O)c(=O)c2ccc(C)nc12 |r|

CCn1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC2CCCCC2)C(N)=O)c(=O)c2ccc(C)nc12 |r|

COc1ccc2ccc(F)c(CC(=O)N\N=C\c3ccc(F)cc3F)c2n1

Clc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1Cl

OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1

[H][C@@]12CCCN1C(=O)c1cc(OC)c(OCCCC(=O)Nc3cc(C(=O)Nc4ccc5occc5c4)n(C)c3)cc1N=C2 |r,c:46|

[H][C@@]12CCCN1C(=O)c1cc(OC)c(OCCCC(=O)Nc3cc(C(=O)Nc4ccc5sccc5c4)n(C)c3)cc1N=C2 |r,c:46|

[H][C@@]12CCCN1C(=O)c1cc(OC)c(OCCCC(=O)Nc3cc(NC(=O)c4ccc5sccc5c4)n(C)c3)cc1N=C2 |r,c:46|

c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O

COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1

Oc1ccc(\C=C\c2cc(O)cc(OCc3ccccc3)c2)cc1

CCc1cc([C@@H]2CC(=O)N2c2ccc3OCCOc3c2)c(O)cc1O |r|

C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,c:7,t:9|

[H][C@]1(CO1)[C@]1(C)O[C@@]23OC1O[C@]2([H])[C@@H](O)[C@]([H])(O[C@H]1[C@H](O)[C@H](C)[C@]2([H])CC[C@](O)(COC)\C2=C\[C@@]2(C)CCC(C(C)C)=C12)O[C@@H]3COC |r,c:36,t:45,TLB:5:4:11.10:8,13:11:6.4:8|

COc1ccc2c(c1)[nH]c1c(C)nccc21

CCN(CC)CCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc(OC)cc1

COc1ccc(cc1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)N(CCN(C)C)Cc1ccc(cc1)C(=O)NO

ONC(=O)CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)C1=O |r|

ONC(=O)CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)C1=O |r|

ONC(=O)CCCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O |r|

Oc1coc(CNc2nc3CC[C@@H](Cc3s2)NC(=O)c2cc(Br)c(Br)[nH]2)cc1=O |r|

Cc1[nH]c(C(=O)N[C@H]2CCc3nc(NCc4cc(=O)c(O)co4)sc3C2)c(Cl)c1Cl |r|

C[C@H](NC(=O)c1cc(=O)c(O)c[nH]1)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1[nH]c(C)c(Cl)c1Cl |r|

CC(C)[C@H](NC(=O)c1cc(=O)c(O)c[nH]1)C(=O)Nc1nc2CC[C@@H](Cc2s1)NC(=O)c1[nH]c(C)c(Cl)c1Cl |r|

Cc1[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)CCNC(=O)c4cc(=O)c(O)c[nH]4)sc3C2)c(Cl)c1Cl |r|

Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1

CC(=O)c1c(C)c2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O

CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C

C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r|

C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|

C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r|

C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|

CC(C)n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O

CCC(C)n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O

C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCCC3)c2n1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCCCC3)c2n1

CC(C)OCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(COC3CC3)c(=O)n(C3CCCC3)c2n1

CCOCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O

COCCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CO)c(=O)n(C3CCCC3)c2n1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC#N)c(=O)n(C3CCCC3)c2n1

CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1

Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O

Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C

CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)N2CCOCC2)c1

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

Cc1ccc(C)c2C(=O)\C(Cc12)=C\c1ccccc1

Cc1ccc2C\C(=C/c3ccccc3)C(=O)c2c1C

C([C@H]1[C@H](Oc2ccc(cn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

C([C@@H]1[C@H](Oc2ccc(nn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

C([C@H]1[C@H](Oc2cnc(cn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

C([C@H]1[C@H](Oc2ccc(nn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

C([C@@H]1[C@@H](Oc2ccc(nn2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-2.57,.76,;-3.9,1.54,;-3.9,3.08,;-2.57,3.84,;-1.24,3.07,;.09,3.83,;1.42,3.07,;1.42,1.52,;.09,.75,;-1.24,1.53,;2.76,.75,;4.08,1.52,;5.41,.75,;5.42,-.8,;6.56,-1.83,;5.94,-3.23,;4.4,-3.07,;4.08,-1.57,;2.75,-.79,;-5.23,3.85,;-6.56,3.08,;-6.56,1.54,;-5.23,.77,;-4.48,2.11,;-5.81,2.88,;-2.57,-.78,;-3.91,-1.54,;-3.91,-3.08,;-2.58,-3.85,;-1.24,-3.08,;-1.24,-1.54,)|

Nc1nc2ccc(cc2s1)-c1ccc(O[C@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)nn1 |r,wU:22.26,wD:15.16,(6.63,-4.21,;5.86,-2.88,;6.49,-1.47,;5.34,-.44,;5.34,1.11,;4.01,1.87,;2.68,1.1,;2.68,-.44,;4.01,-1.21,;4.33,-2.72,;1.35,1.87,;1.35,3.42,;.02,4.19,;-1.31,3.42,;-2.64,4.2,;-3.98,3.43,;-5.31,4.21,;-6.63,3.43,;-6.63,1.89,;-5.31,1.13,;-4.55,2.47,;-5.89,3.24,;-3.98,1.89,;-2.64,1.12,;-2.65,-.42,;-3.98,-1.18,;-3.99,-2.72,;-2.65,-3.5,;-1.31,-2.72,;-1.32,-1.18,;-1.32,1.88,;.01,1.11,)|

C([C@@H]1[C@@H](Oc2ccc(nn2)-c2ccc[nH]2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-1.89,.76,;-3.22,1.54,;-3.22,3.08,;-1.89,3.84,;-.55,3.07,;.77,3.83,;2.11,3.07,;2.11,1.52,;.77,.75,;-.56,1.53,;3.44,.75,;3.6,-.78,;5.11,-1.11,;5.88,.22,;4.85,1.37,;-4.55,3.85,;-5.88,3.08,;-5.88,1.54,;-4.55,.77,;-3.8,2.11,;-5.13,2.88,;-1.89,-.78,;-3.23,-1.54,;-3.23,-3.08,;-1.9,-3.85,;-.56,-3.08,;-.56,-1.54,)|

C([C@@H]1[C@@H](Oc2nnc(s2)-c2ccc3[nH]ccc3c2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-3.11,.56,;-4.45,1.33,;-4.45,2.87,;-3.11,3.64,;-1.78,2.86,;-1.61,1.33,;-.11,1.01,;.66,2.34,;-.36,3.48,;2.2,2.49,;2.82,3.9,;4.35,4.06,;5.26,2.81,;6.79,2.64,;7.11,1.13,;5.77,.36,;4.63,1.4,;3.09,1.24,;-5.78,3.65,;-7.11,2.87,;-7.11,1.33,;-5.78,.57,;-5.02,1.91,;-6.36,2.68,;-3.12,-.98,;-4.45,-1.75,;-4.46,-3.28,;-3.12,-4.06,;-1.78,-3.28,;-1.79,-1.75,)|

C([C@@H]1[C@@H](Oc2cc3ccccc3cn2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-1.33,.76,;-2.67,1.54,;-2.67,3.08,;-1.33,3.84,;-0,3.07,;1.33,3.83,;2.66,3.07,;3.99,3.84,;5.32,3.07,;5.33,1.52,;3.99,.75,;2.66,1.52,;1.32,.75,;-.01,1.53,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-3.24,2.11,;-4.58,2.88,;-1.34,-.78,;-2.67,-1.54,;-2.68,-3.08,;-1.34,-3.85,;-0,-3.08,;-.01,-1.54,)|

C([C@@H]1[C@@H](Oc2ccc3ccccc3n2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-1.34,.76,;-2.67,1.54,;-2.67,3.08,;-1.33,3.84,;-0,3.07,;-.01,1.53,;1.32,.75,;2.66,1.52,;3.99,.75,;5.33,1.52,;5.32,3.07,;3.99,3.84,;2.66,3.07,;1.33,3.83,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-3.24,2.11,;-4.58,2.88,;-1.34,-.78,;-2.67,-1.54,;-2.68,-3.08,;-1.34,-3.85,;-0,-3.08,;-.01,-1.54,)|

C([C@H]1[C@H](Oc2ccc(nn2)-c2ccccc2)C2CCN1CC2)c1cccnc1 |r,wU:2.2,wD:1.0,(-2,.76,;-3.33,1.54,;-3.33,3.08,;-1.99,3.84,;-.66,3.07,;.67,3.83,;2,3.07,;2,1.52,;.66,.75,;-.67,1.53,;3.33,.75,;4.65,1.52,;5.99,.75,;5.99,-.8,;4.66,-1.57,;3.32,-.79,;-4.66,3.85,;-5.99,3.08,;-5.99,1.54,;-4.66,.77,;-3.9,2.11,;-5.24,2.88,;-2,-.78,;-3.34,-1.54,;-3.34,-3.08,;-2.01,-3.85,;-.67,-3.08,;-.67,-1.54,)|

C([C@@H]1[C@@H](Oc2nnc(s2)-c2ccccc2)C2CCN1CC2)c1cccnc1 |r,wU:1.0,wD:2.2,(-2.19,.56,;-3.52,1.33,;-3.52,2.87,;-2.19,3.64,;-.85,2.86,;-.69,1.33,;.82,1.01,;1.59,2.34,;.56,3.48,;3.12,2.49,;3.74,3.9,;5.27,4.06,;6.18,2.81,;5.55,1.4,;4.02,1.24,;-4.85,3.65,;-6.18,2.87,;-6.18,1.33,;-4.85,.57,;-4.1,1.91,;-5.43,2.68,;-2.19,-.98,;-3.53,-1.75,;-3.53,-3.28,;-2.2,-4.06,;-.86,-3.28,;-.86,-1.75,)|

CNC(=O)c1ccc2[nH]nc(Cc3ccc4n(C)ncc4c3)c2c1

CNC(=O)c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1

Cc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N2Cc3ccccc3C2)c1

CC(C)COc1cc(ccc1NC(=O)c1ccc(c(OCC(C)C)c1)[N+]([O-])=O)C(=O)Nc1ccc(cc1OC(C)C)C(O)=O

CSc1ccc(cc1)C(Nc1ccccn1)c1c(C)[nH]c2ccccc12

COc1ccc(cc1)C(N1CCN(C)CC1)c1c(-c2ccccc2)n(O)c2ccccc12

SCCCCCCC(=O)Nc1cnc2ccccc2c1

C\C(CNc1cnc2c(Br)cccc2c1)=C/c1ccc(cc1)C(=O)NO

CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NCC1CCC(CC1)\C=C\C(=O)NO |(-6.56,2.88,;-7.33,1.54,;-8.1,2.88,;-8.66,.77,;-8.66,-.77,;-10,-1.54,;-7.33,-1.54,;-5.99,-.77,;-4.66,-1.53,;-3.34,-.76,;-3.34,.77,;-4.66,1.54,;-5.99,.77,;-2.01,1.54,;-2.01,3.08,;-.67,.77,;.66,1.54,;1.99,.77,;3.33,1.54,;4.66,.77,;4.66,-.77,;3.33,-1.54,;1.99,-.77,;5.99,-1.54,;7.33,-.77,;8.66,-1.54,;8.66,-3.08,;10,-.77,;10,.77,)|

COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCC(=O)NO)nc2c1

Cc1[nH]cnc1-c1nccc2c3ccccc3[nH]c12

CCCC[n+]1ccc2c(c1-c1ccccc1Cl)n(Cc1ccccc1)c1ccccc21

Fc1cccc(\C=C\c2nc3ccccc3c(=O)[nH]2)c1

CC(=O)Oc1cc2oc(cc2cc1-c1c[se]nn1)-c1ccccc1

CC(=O)Oc1cc2oc(cc2cc1-c1c[se]nn1)-c1cccc(F)c1

CC(=O)Oc1cc2oc(cc2cc1-c1c[se]nn1)-c1ccc(F)cc1

CC(=O)Oc1cc2oc(cc2cc1-c1c[se]nn1)-c1cccc(Cl)c1

CC(=O)Oc1cc2oc(cc2cc1-c1c[se]nn1)-c1ccc(C)cc1

COc1ccc(cc1)-c1cc2cc(-c3c[se]nn3)c(OC(C)=O)cc2o1

Nc1nc(=S)[nH]c2OC(=CC(c3ccc(Cl)cc3)c12)c1cc2ccccc2oc1=O |c:8|

Oc1ccccc1C1=C(C(c2ccc(Cl)cc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

COc1ccc(cc1)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:19|

COc1cc(ccc1O)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:20|

Oc1ccc(cc1)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:18|

Oc1ccccc1C1=C(C(c2ccccc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

Cc1ccc(cc1)C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:18|

Oc1ccccc1C1=C(C(c2ccc(Br)cc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

Oc1ccccc1C1=C(C(c2ccc(F)cc2)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

Oc1ccccc1C1=C(C(c2cc3ccccc3cc2O)c2c(O1)[nH]c(=S)[nH]c2=O)C(=O)N1CCCCC1 |t:8|

Oc1ccccc1C1C(C(=O)N2CCCCC2)=C(Oc2[nH]c(=S)[nH]c(=O)c12)c1ccccc1O |c:18|

C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|

COc1cc(\C=C\C(=O)C2=C(Oc3[nH]c(=O)[nH]c(=O)c3C2c2cccc(c2)[N+]([O-])=O)\C=C\c2ccc(O)c(OC)c2)ccc1O |t:9|

COc1cc(\C=C\C(=O)C2=C(Oc3[nH]c(=O)[nH]c(=O)c3C2c2c[nH]c3ccccc23)\C=C\c2ccc(O)c(OC)c2)ccc1O |t:9|

COc1cc(\C=C\C(=O)C2=C(Oc3[nH]c(=O)[nH]c(=O)c3C2c2ccc(cc2)[N+]([O-])=O)\C=C\c2ccc(O)c(OC)c2)ccc1O |t:9|

COc1cc(\C=C\C(=O)C2=C(Oc3[nH]c(=O)[nH]c(=O)c3C2c2c(Cl)cccc2Cl)\C=C\c2ccc(O)c(OC)c2)ccc1O |t:9|

COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O

CCC(C)n1cnc2Oc3[nH]c(=O)[nH]c(=O)c3C(c3ccc(OC)cc3)c2c1=N

COc1ccc(cc1)C1c2c(Oc3[nH]c(=O)[nH]c(=O)c13)ncn(C(=S)Nc1ccccc1)c2=N

COc1ccc(cc1)C1c2c(Oc3[nH]c(=O)[nH]c(=O)c13)ncn(-c1ccccc1O)c2=N

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,c:31|

Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:43|

Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCC(C)(COCCOCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)C(C)(C)C)cc1 |r,c:48,89|

Brc1cc2c([nH]1)C(=O)NCCC2=C1NC(=N)NC1=O

CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F

c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl

Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F

Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F

Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1F

Cn1cc(cn1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl

Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Cl

Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1Cl

Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl

Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1F

Cc1nn(C)cc1-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1Cl

Cn1cc(cn1)-c1nc(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)ncc1F

Cn1cc(cn1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1F

Cn1nccc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F

COc1cc-2c(CCc3cc(O)c(OC)c(OC)c-23)c(O)c1OC

Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1cc(Br)cs1

OCC(=O)CCC(=O)c1nc(cc2c3ccccc3[nH]c12)C(O)=O

C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O

[H][C@]1(CCN(C1)c1cc2OC[C@H](C)n3cc(C(O)=O)c(=O)c(c1)c23)[C@H](C)N |r|

C[C@H]1COc2cc(cc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N |r|

CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1

OC[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O |r|

COc1ccc(O)c2c1oc1c(OC)c(O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c1c2=O |r|

COc1ccc(O)c2c1oc1cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc(O)c1c2=O |r|

COc1ccc(O)c2c1oc1c(OC)c(OC)c(OC)c(O[C@H]3O[C@@H](CO[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@@H]3O)c1c2=O |r|

COc1ccc(O[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@@H]2O)c2c1oc1c(OC)c(OC)c(OC)c(O)c1c2=O |r|

COc1cc(O[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@@H]2O)c2c(oc3c(OC)ccc(O)c3c2=O)c1OC |r|

COc1cc(O)c2c(oc3c(OC)ccc(O[C@H]4O[C@@H](CO[C@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@@H]4O)c3c2=O)c1OC |r|

COc1ccc(O)c2c1oc1c(OC)c(O)cc(O[C@H]3O[C@@H](CO[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@@H]3O)c1c2=O |r|

COc1ccc(O)c2c1oc1c(OC)c(O)cc(O[C@H]3O[C@@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@@H]3O)c1c2=O |r|

[H][C@]1(O[C@H]2[C@H](CO)O[C@H](Oc3cc(O)c(OC)c4oc5c(OC)ccc(O)c5c(=O)c34)[C@@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O |r|

OC[C@H]1O[C@@H](Oc2ccc(O)c3oc4cc(O)cc(O)c4c(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O |r|

[H][C@@]1(O[C@H]2[C@H](Oc3ccc4oc5cc(OC)cc(O)c5c(=O)c4c3O)OC[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|

COc1cc(O)c2c(c1)oc1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c2=O |r|

COc1cccc2c1oc1c(OC)c(O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc(O)c1c2=O |r|

COc1c(O)cc2oc3cc(O)c(\C=C\C(C)=C)c(O)c3c(=O)c2c1\C=C\C(C)=C

COc1cc2oc3cc(O)c(OC)c(\C=C\C(C)=C)c3c(=O)c2c(O)c1\C=C\C(C)=C

COc1c(O)cc2oc3cc(O)c(\C=C\C(C)=C)c(O)c3c(=O)c2c1CC(=O)C(C)=C

COc1c(O)cc2oc3cc(O)c(\C=C\C(C)=C)c(O)c3c(=O)c2c1CCC(C)(C)O

CC(=C)\C=C\c1c(O)cc2oc3cc(O)c(O)c(\C=C\C(C)=C)c3c(=O)c2c1O

COc1cc2Oc3c(O)cccc3Cc2c(O)c1\C=C\C(C)=C

COc1cc2Oc3c(O)ccc(O)c3Cc2c(O)c1\C=C\C(C)=C

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(\[#6]=[#6]\[#6](-[#6])=[#6])c(-[#8])c2c1oc1c(-[#8])cccc1c2=O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(\[#6]=[#6]\[#6](-[#6])=[#6])c(-[#8])c2c1oc1c(-[#8])ccc(-[#8])c1c2=O

[#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]

COc1cc(O)c2oc3ccc(\C=C\C(C)=C)c(O)c3c(=O)c2c1CC=O

COc1c(O)cc2oc3cc4OC(C)(C)C=Cc4c(O)c3c(=O)c2c1\C=C\C(C)=C |c:15|

COc1c(O)cc2oc3cc4OC(C)(C)C(O)Cc4c(O)c3c(=O)c2c1\C=C\C(C)=C

COc1c(O)cc2oc3cc4OC(C)(C)C(O)=Cc4c(O)c3c(=O)c2c1\C=C\C(C)=C |c:16|

[#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6](-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6]

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#8]-[#6](-[#6]-c4c3c(=O)c2c1-[#8])-[#6](-[#6])=[#6]

C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O

Oc1ccc2oc3cccc(O)c3c(=O)c2c1

[#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]

[#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c(oc3c(-[#8])ccc(-[#8])c3c2=O)c1-[#6]\[#6]=[#6](\[#6])-[#6]

COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1\C=C\C(C)=C

COc1cc2c(oc3cc(O)c(\C=C\C(C)=C)c(O)c3c2=O)c(\C=C\C(C)=C)c1O

[#6]-[#8]-c1c(-[#8])cc2oc3c(\[#6]=[#6]\[#6](-[#6])=[#6])c(-[#8])cc(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1cc(-[#8])c2c(oc3c(-[#8])c(-[#8])cc(\[#6]=[#6]\[#6](-[#6])=[#6])c3c2=O)c1-[#6]\[#6]=[#6](\[#6])-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(\[#6]=[#6]\[#6](-[#6])=[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#8])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]\[#6]=[#6](\[#6])-[#6]

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#8]-[#6](-[#6])=O)c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]\[#6]=[#6](/[#6])-[#6]

[#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2oc3cc(-[#8])c(\[#6]=[#6]\[#6](-[#6])=[#6])c(-[#8])c3c(=O)c12

[#6]-[#8]-c1cc(-[#8])c2c(c1)oc1cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1c2=O

CC1Oc2cc(O)c3c(oc4c(O)ccc(O)c4c3=O)c2C1(C)C

[#6]-[#8]-c1c(-[#8])ccc2oc3c4-[#6]-[#6](-[#8]-c4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c12)C([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

COc1c(O)c(\C=C\C(C)=C)c2oc3cc(O)c(CC(O)C(C)=C)c(O)c3c(=O)c2c1\C=C\C(C)=C

COc1cc2oc3cc(O)c(CC(O)C(C)=C)c(O)c3c(=O)c2c(\C=C\C(C)=C)c1OC

[#6]-[#8]-c1cc2c(cc1-[#8])oc1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1c2=O

[#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c3c(=O)c2c(\[#6]=[#6]\[#6](-[#6])=[#6])c1-[#8]-[#6]

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]

[#6]-[#8]-c1c(-[#8])c2oc3c(c(-[#8])ccc3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6])C([#6])([#6])[#6]=[#6]

CC1(C)Oc2cc3oc4ccc(O)cc4c(=O)c3c(O)c2C=C1 |c:24|

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2c(oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c2=O)c(-[#8])c1-[#8] |c:17|

CC1(C)Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C=C1 |c:16,31|

[H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6])([#8]C2([#6])[#6])[#6]3=O |r,t:5,TLB:45:44:6.5:2.1,7:6:2.1:34.44,THB:35:34:6.5:2.1,41:1:6.5:34.44|

[H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8][C@]([#6])(\[#6]=[#6]\[#6](-[#6])=[#6])[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:25,33,t:15,TLB:49:48:8.5:1.2,6:5:48.36:1.2,THB:9:8:48.36:1.2,37:36:8.5:1.2,45:1:8.5:48.36|

[H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8][C@@]([#6])(\[#6]=[#6]\[#6](-[#6])=[#6])[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:25,33,t:15,TLB:6:5:36.48:1.2,49:48:5.8:1.2,THB:37:36:5.8:1.2,9:8:36.48:1.2,45:1:5.8:36.48|

[H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6]-[#6])-[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8][C@]([#6])(\[#6]=[#6]\[#6](-[#6])=[#6])[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:26,34,t:16,TLB:6:5:37.49:1.2,50:49:5.9:1.2,THB:38:37:5.9:1.2,10:9:37.49:1.2,46:1:5.9:37.49|

[H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6]-[#6])-[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8][C@@]([#6])(\[#6]=[#6]\[#6](-[#6])=[#6])[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:26,34,t:16,TLB:6:5:37.49:1.2,50:49:5.9:1.2,THB:38:37:5.9:1.2,10:9:37.49:1.2,46:1:5.9:37.49|

[H][C@@]12[#6][C@@]3([H])[#6@H](-[#8])-[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8]C([#6])(\[#6]=[#6]\[#6](-[#6])=[#6])[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:24,32,t:14,TLB:48:47:2.1:7.5,5:3:44.43:34,6:5:2.1:35.47,33:34:44.43:3.2.47,THB:48:47:44.43:34,7:34:44.43:3.2.47,44:1:35.47:7.5,8:7:2.1:35.47,36:35:2.1:7.5|

[H][C@@]12[#6][C@@]3([H])[#6@H](-[#8]-[#6])-[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8]-[#6](-[#6])-[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:20,28,t:15,TLB:5:3:40.39:30,9:8:2.1:31.43,32:31:2.1:8.5,29:30:40.39:3.2.43,THB:44:43:40.39:30,44:43:2.1:8.5,8:30:40.39:3.2.43,40:1:31.43:8.5,6:5:2.1:31.43|

[H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8]-[#6](-[#6])-[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6])([#8]C2([#6])[#6])[#6]3=O |r,c:18,26,t:5,13,TLB:7:6:2.1:29.39,40:39:6.5:2.1,THB:36:1:6.5:29.39,30:29:6.5:2.1|

[H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8][C@]([#6])(\[#6]=[#6]\[#6](-[#6])=[#6])[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6])([#8]C2([#6])[#6])[#6]3=O |r,c:23,31,t:5,13,TLB:45:44:6.5:2.1,THB:35:34:6.5:2.1,7:6:2.1:34.44,41:1:6.5:34.44|

[H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8][C@@]([#6])(\[#6]=[#6]\[#6](-[#6])=[#6])[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6])([#8]C2([#6])[#6])[#6]3=O |r,c:23,31,t:5,13,TLB:45:44:6.5:2.1,THB:35:34:6.5:2.1,7:6:2.1:34.44,41:1:6.5:34.44|

[H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)[C@]5([H])[#6](-[#8])-[#6]-6=[#6](-[#8]-[#6](-[#6])-[#6]=[#6]-6)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,c:18,26,t:13,TLB:42:41:6.5:2.1,THB:7:6:2.1:29.41,38:1:6.5:29.41,30:29:6.5:2.1|

[H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]-7-[#6]C([#6])([#6]-[#6]-[#6]-7-[#6](-[#6])=[#6])[#8]-c6c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,t:5,TLB:47:46:6.5:2.1,7:6:2.1:34.46,THB:43:1:6.5:34.46,35:34:6.5:2.1|

[H][C@@]12[#6][C@@]3([H])[#6]=[#6]4-[#6](=O)-c5c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3=O |r,t:5,TLB:47:46:6.5:2.1,THB:43:1:6.5:34.46,35:34:6.5:2.1,7:6:2.1:34.46|

COc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O

COc1ccc2oc3c(O)c(OC)cc(OC)c3c(=O)c2c1O

COc1c(O)cc(O)c2c1oc1ccc(O)cc1c2=O

COc1cc(O)c2c(oc3ccc(O)cc3c2=O)c1OC

COc1ccc(O)c2c1oc1ccc(O)cc1c2=O

COc1c(O)cc2oc3ccc(O)c(OC)c3c(=O)c2c1O

COc1ccc2oc3ccc(O)cc3c(=O)c2c1

COc1ccc2oc3ccc(O)cc3c(=O)c2c1OC

Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1

COC(=O)c1c(O)ccc2oc3cc(cc(O)c3c(=O)c12)C(O)=O

COC(=O)c1cc(O)cc2oc3cc(C)cc(O)c3c(=O)c12

COC(=O)c1c(O)c(O)cc2oc3c(Cl)c(C)c(Cl)c(O)c3c(=O)c12

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncc(s1)C(=O)NO

C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(\C=N\Nc4cc(C)nc5ccc(Cl)cc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 |r|

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1

Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|

O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1

O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

CCn1cc(-c2nc(\N=C\c3ccc(F)cc3)n[nH]2)c(=O)c2ccc(C)nc12

CC(=O)c1cc2cc(oc2cc1O)-c1cccc(Cl)c1

[H][C@]12CCCOc3cccc(CC(=O)N[C@H](CN4C[C@]([H])(O1)[C@]([H])(O2)[C@H]4C(=O)N[C@@H](CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1)C1CCCCC1)c3 |r|

[H][C@]12CCCOc3cccc(CC(=O)N[C@H](CN4C[C@]([H])(O1)[C@]([H])(O2)[C@H]4C(=O)N[C@@H](CCC)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1)C1CCCCC1)c3 |r|

C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1

C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1)NC(=O)c1ccccc1 |r,wU:4.7,1.0,(4.16,.77,;2.83,-0,;2.06,1.33,;.52,1.33,;-.25,-0,;.52,-1.33,;2.06,-1.33,;-1.79,-0,;-2.7,1.25,;-4.16,.77,;-4.16,-.77,;-2.7,-1.25,;-5.5,-1.54,;-6.84,-.77,;-8.16,-1.54,;-8.16,-3.08,;-9.49,-3.85,;-6.83,-3.85,;-5.5,-3.08,;-5.5,1.54,;-5.5,3.09,;-6.83,3.85,;-8.16,3.08,;-8.16,1.54,;-6.83,.77,;4.16,-.77,;5.5,-0,;5.5,1.54,;6.83,-.77,;8.17,-0,;9.49,-.77,;9.49,-2.31,;8.17,-3.08,;6.83,-2.32,)|

C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1)NC(=O)N1CCOCC1 |r,wU:1.0,4.7,(4.16,.77,;2.83,-0,;2.06,1.33,;.52,1.33,;-.25,-0,;.52,-1.33,;2.06,-1.33,;-1.79,-0,;-2.7,1.25,;-4.16,.77,;-4.16,-.77,;-2.7,-1.25,;-5.5,-1.54,;-6.84,-.77,;-8.16,-1.54,;-8.16,-3.08,;-9.49,-3.85,;-6.83,-3.85,;-5.5,-3.08,;-5.5,1.54,;-5.5,3.09,;-6.83,3.85,;-8.16,3.08,;-8.16,1.54,;-6.83,.77,;4.16,-.77,;5.5,-0,;5.5,1.54,;6.83,-.77,;6.83,-2.32,;8.17,-3.08,;9.49,-2.31,;9.49,-.77,;8.17,-0,)|

CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(ccc12)C#N)c1ncc([nH]1)-c1ccc(CN(C)C)cc1 |r|

CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)N(C)C)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(o1)-c1ccc2ccccc2c1 |r|

CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

CCC(=O)CCCCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r|

CCC(=O)CCCCC[C@H](NC(=O)C1(F)CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2[nH]c1=O |r|

CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1ccc2ccccc2c1 |r|

CCC(=O)CCCCC[C@H](NC(=O)Cn1ccnn1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

CCC(=O)CCCCC[C@H](NC(=O)C1CNC(=O)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|

CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r|

Cc1ccc(c(Cl)c1)C(C)(C)CC#N

CC(CC#N)c1ccc(C)cc1Cl

c1cc(c(cc1Cl)Cl)/C(=C/n2cncn2)/Cl

OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)CN12

[H][C@]12[C@H](O)[C@H](O)CN1[C@H](CO)[C@@H](O)[C@@H]2O |r|

[H][C@]12C[C@H](O)CN1[C@H](CO)[C@@H](O)[C@@H]2O |r|

COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1 |r|

OC(=O)c1ccc(Nc2nccc(n2)-c2ccc(F)cc2OCc2ccccc2)cc1

CN(C)CCNC(=O)c1ccc(Nc2nccc(n2)-c2ccc(F)cc2OCc2ccccc2)cc1

CCN(CC)CCNC(=O)c1ccc(Nc2nccc(n2)-c2ccc(F)cc2OCc2ccccc2)cc1

CC(C)N(CCNC(=O)c1ccc(Nc2nccc(n2)-c2ccc(F)cc2OCc2ccccc2)cc1)C(C)C

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2ccc(F)cc2OCc2ccccc2)cc1

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1

c1n[nH]c2ccc(cc12)-c1ccccc1

COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl

COC1=CC2C3C(NC2=O)=Cc2ccc(OC)cc2C3=C1OC |c:10,22,t:2|

COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1

C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nnc[nH]1

c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O

CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O

[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC

Oc1ccc(cc1O)-c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1

CC(C)Oc1ccc(F)c(c1)-c1cnc(N)c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(O)=O |r|

Clc1cccc(Cl)c1NC1=NC(=O)\C(S1)=C\c1ccc2nccnc2c1 |t:10|

CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2

CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2

CCOC(=O)c1c(C(C=N)C#N)c2ccc(Cl)c(Cl)c2n1C

Oc1ccc(cc1)-c1n[nH]c2ncc(cc12)-c1ccc(O)c(O)c1

CCNc1cc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N2CCOCC2)nc2[nH]cc(c12)C(F)(F)F

O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|

O=C1NC(NC2CCCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:12|

O=C1NC(NC23CC4CC(CC(C4)C2)C3)=N\C1=C/c1ccc2ncsc2c1 |c:17,TLB:8:9:13:7.12.6,THB:8:7:14.9.10:13,10:9:12.11.13:6,10:11:14.9.8:6|

CC(C)CC(=O)Nc1cncc(c1)-c1ccc2[nH]nc(-c3nc4cncc(-c5cccc(F)c5)c4[nH]3)c2c1

Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]

CC(C)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1

Cc1nc2ccc(nc2n1CC(F)(F)F)-c1cc(N)nc(N)c1

CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1

Oc1ccc(\C=C2/Sc3ccc(cc3NC2=O)S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1[N+]([O-])=O

CN(C)C\C=C\C(=O)N1CCCC[C@@H](C1)N1C(NC(=O)c2ccnc(C)c2)Nc2cccc(C)c12 |r|

CC(=O)c1nccc2c3ccccc3[nH]c12

C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1

CC(C)(c1ccc(cc1)O)c2ccc(cc2)O

NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|

CN(c1cccc(C)c1)c1nccc(n1)-c1cnn2ncccc12

CN(C)c1nccc(n1)-c1cnn2ncccc12

COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4

Cc1ccc(c(c1)[N+]([O-])=O)-n1cc(COc2cccc3cnc(Nc4cccc(Cl)c4)nc23)nn1

c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O

COc1ccc(\C=C2/SC(=S)NC2=O)cc1C#C[Si](C)(C)C

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

O=C(Nc1ccc2[nH]ncc2c1)c1csc(Nc2ccccc2)n1

COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)cc12

CCN1c2cc(ccc2S/C1=CC(=O)C)O

COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN

CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

Cn1cc(cn1)-c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1

NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|

CCOc1ccc2nc(N3CCCN(CC3)C(=S)Nc3ccccc3F)c(cc2c1)C#N

COc1ccc2sc(nc2c1)-c1cncc(NC(C)=O)c1

CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3

CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Cc1cn2cc(ccc2n1)-c1ccncc1

CCN(CC)Cc1ccc(OC)c(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(C(O)=O)c(c1)C(C)C

Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)N4CCOCC4)Cl)Cl

CC1COCCN1c1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O

C[C@@H]1COCCN1c1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O |r|

C[C@H]1COCCN1c1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O |r|

CC1CN(CCO1)c1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O

CC1CN(CC(C)O1)c1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O

[H][C@]12CC[C@]([H])(CN(C1)c1cc(cc3sc(NC(=O)c4[nH]c(C)c(Cl)c4Cl)nc13)C(O)=O)O2 |r|

[H][C@]12CC[C@]([H])(COC1)N2c1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O |r|

Cc1[nH]c(C(=O)Nc2nc3c(cc(cc3s2)C(O)=O)N2CCOC(C2)C(F)(F)F)c(Cl)c1Cl

Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl

CS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(C3CC3)c(Cl)c2)cc1F

Cc1cn(-c2ccccc2)c2ccc(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2ccc(F)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccc(Cl)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2ccc(Cl)cc2)c2ccc(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccc(C)c2)c2ccc(cc12)C(=O)NS(C)(=O)=O

COc1cccc(c1)-n1cc(C)c2cc(ccc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccc(F)c2)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1

Cc1cn(-c2cccnc2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1

Cc1cn(-c2cncc(F)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1

Cc1cn(-c2cncc(Cl)c2)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1

Cc1cn(-c2cncc(c2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1

Cc1cn(-c2ccc(nc2)C(F)(F)F)c2ccc(cc12)C(=O)NS(=O)(=O)C1CC1

Cc1cn(-c2cncc(c2)C(F)(F)F)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1

Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|

C[C@@H](c1cc(cc(c1)Cl)Cl)N2CCC(CC2)COc3cc(c(cc3C4CC4)C(=O)NS(=O)(=O)C)F

Cc1cn(-c2ccccc2F)c2ccc(cc12)C(=O)NS(C)(=O)=O

Cc1cn(-c2cccnc2)c2ccc(cc12)C(=O)NS(C)(=O)=O

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

Cc1cccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)n1

CCOC(=O)Oc1cccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)n1

NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl

NC(=O)c1cnc(Nc2ccc(O)cn2)cc1Nc1ccccc1Cl

COc1cccc(Nc2cc(Nc3ccccc3Cl)c(cn2)C(N)=O)n1

Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)n1

OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1

COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

CC(C)n1c(C)nc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1

CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCCC(C)(C)O)nc12

CC(C)n1cnc2c(NCc3cc(F)ccc3O)nc(NC3CCC(N)CC3)nc12 |(11.41,-45.06,;12.43,-43.9,;13.94,-44.22,;11.95,-42.44,;12.85,-41.18,;11.93,-39.93,;10.46,-40.42,;9.13,-39.66,;9.12,-38.12,;10.45,-37.34,;10.45,-35.8,;9.12,-35.05,;9.11,-33.52,;7.77,-32.75,;10.45,-32.73,;11.78,-33.5,;11.79,-35.04,;13.12,-35.81,;7.8,-40.43,;7.8,-41.97,;6.46,-42.73,;5.13,-41.95,;5.14,-40.41,;3.82,-39.63,;2.48,-40.38,;1.15,-39.6,;2.46,-41.92,;3.79,-42.71,;9.13,-42.74,;10.46,-41.97,)|

CCC(CO)Nc1nc(NCc2cc(C)ccc2O)c2ncn(C(C)C)c2n1

COc1cccc(CNc2nc(NC3CCCCC3N)nc3n(cnc23)C(C)C)c1O

COc1cccc(CNc2nc(NC3CCC(N)CC3)nc3n(cnc23)C(C)C)c1O |(12.79,-1.48,;12.8,-3.02,;11.46,-3.79,;10.13,-3.02,;8.79,-3.81,;8.8,-5.34,;10.13,-6.09,;10.14,-7.63,;8.8,-8.41,;8.81,-9.95,;7.48,-10.72,;7.48,-12.26,;6.14,-13.02,;4.81,-12.24,;4.83,-10.7,;3.51,-9.92,;2.17,-10.67,;.84,-9.89,;2.15,-12.21,;3.48,-13,;8.81,-13.03,;10.14,-12.26,;11.63,-12.73,;12.54,-11.47,;11.62,-10.22,;10.14,-10.71,;12.12,-14.2,;11.09,-15.35,;13.62,-14.51,;11.47,-5.33,;12.8,-6.1,)|

[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)S(N)(=O)=O)nc2[nH]cnc12)C(N)=O |r,c:5|

COc1cc(Nc2nc(NC3C4CC(C=C4)C3C(N)=O)c3nc[nH]c3n2)cc(OC)c1OC |c:14|

CC(C)Oc1cccc(Nc2nc(NC3C4CC(C=C4)C3C(N)=O)c3nc[nH]c3n2)c1 |c:18|

C1CC2CC1CC2Nc1nc(Nc2ccc(cc2)N2CCCCC2)nc2[nH]cnc12

NC(=O)C1C2CC(C=C2)C1Nc1nc(Nc2cccc(c2)S(N)(=O)=O)nc2[nH]cnc12 |c:7|

CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl

CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|

CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(c2)C(O)=O)c2ncn(C(C)C)c2n1

CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1

CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(N)c2)c2ncn(C(C)C)c2n1

Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O

CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:3.3,13.14,wD:2.1,15.16,(-8.34,-2.73,;-8.34,-1.19,;-7.01,-.42,;-7.01,1.12,;-8.34,1.89,;-9.68,1.12,;-9.68,-.42,;-11.01,1.89,;-11.17,3.42,;-12.68,3.74,;-13.45,2.4,;-14.98,2.24,;-12.42,1.26,;-5.68,1.89,;-5.68,3.43,;-4.34,1.12,;-3.01,1.89,;-1.67,1.12,;-1.67,-.42,;-.34,-1.19,;.99,-.42,;2.33,-1.19,;2.33,-2.73,;3.66,-.42,;4.99,-1.19,;6.33,-.42,;6.33,1.12,;7.66,-1.19,;7.66,-2.73,;8.99,-3.5,;10.33,-2.73,;11.66,-3.5,;10.33,-1.19,;11.66,-.42,;13,-1.19,;14.33,-.42,;15.66,-1.19,;14.33,1.12,;8.99,-.42,;3.66,1.12,;4.99,1.89,;2.33,1.89,;.99,1.12,;-.34,1.89,;-.34,3.43,;-4.34,-.42,;-5.68,-1.19,;-6.67,-2.37,;-4.69,-2.37,)|

C[C@H](NC(=O)[C@@H]1CSCc2c(O)cc(O)c(C)c2C(=O)OC[C@H](NC(=O)[C@@H]2[C@H](O)CCN2C(=O)[C@@H](N)CO)C(=O)N1)C(O)=O |r|

[H][C@@]1(C[C@@](O)([C@H](C)NC(=O)c2[nH]cc(Cl)c2Cl)[C@H](O)[C@@H](C)O1)O[C@@H]1CCC(=C)[C@]2([H])[C@H]([C@@H](C)CC[C@@]12[H])C(\O)=C1/C(=O)[C@H](C(C)C)N([C@@H]2O[C@@H](C)[C@@H](OC(N)=O)[C@@H](OC(C)=O)[C@H]2OC)C1=O |r|

[H][C@@]1(C[C@@](O)([C@H](C)NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](O)[C@@H](C)O1)O[C@@H]1CCC(=C)[C@]2([H])[C@H]([C@@H](C)CC[C@@]12[H])C(\O)=C1/C(=O)[C@H](C(C)C)N([C@@H]2O[C@@H](C)[C@@H](OC(N)=O)[C@@H](OC(C)=O)[C@H]2OC)C1=O |r|

CCc1nnc(NS(=O)(=O)c2ccc(N\C=C3/Sc4ccccc4C3=O)cc2)s1

CCc1nnc(NS(=O)(=O)c2ccc(Nc3nc(C)c(s3)C(=O)Nc3ccccc3)cc2)s1

CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCC(=O)N(CCc3c(C)[nH]c4ccccc34)Cc3ccc(\C=C\C(=O)NO)cc3)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S([O-])(=O)=O |c:2|

CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F

Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccc(cc2[nH]1)C(=O)NC(CP(O)(O)=O)C(O)=O

Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O

CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O

CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O

CC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(O)=O

COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C |r,THB:36:35:29:31.32|

[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)Oc1cc(nc2cc(OC)ccc12)-c1ccccc1)C(O)=O |r,c:23|

CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(O)=O |r|

CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)OCc1cccc2ccccc12 |r|

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1

CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(C)ccc23)c1=O

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(ccc23)C#C)c1=O

COc1ccc(cc1)-n1nc2c(c[nH]c3ccccc23)c1=O

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(Br)ccc23)c1=O

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(ccc23)C(F)(F)F)c1=O

CCc1ccc2c3nn(-c4ccc(OC)cc4)c(=O)c3c[nH]c2c1

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(ccc23)C(C)=O)c1=O

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(F)ccc23)c1=O

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(Cl)ccc23)c1=O

COc1ccc(cc1)-n1nc2c(c[nH]c3cc(OC)ccc23)c1=O

COc1cc(O)c(c2C=C[C@](C)(CCC3=C(C)CCCC3(C)C)Oc12)-c1c(O)cc(OC)c2O[C@](C)(CCC3=C(C)CCCC3(C)C)C=Cc12 |r,wD:10.10,34.37,c:8,14,41,51,(8.67,2.69,;7.33,1.92,;6,2.69,;6,4.23,;4.67,5,;4.67,6.54,;3.33,4.23,;3.33,2.69,;2.01,1.91,;2.01,.37,;3.35,-.39,;4.69,-1.16,;3.35,-1.93,;2.02,-2.7,;2.02,-4.24,;3.35,-5.01,;4.69,-4.24,;3.35,-6.55,;2.02,-7.32,;.68,-6.55,;.68,-5.01,;-.09,-3.68,;-.86,-5.01,;4.68,.39,;4.67,1.92,;2,5,;2,6.55,;3.33,7.32,;.66,7.31,;-.66,6.55,;-2,7.32,;-3.33,6.55,;-.66,5,;-2,4.24,;-2,2.7,;-3.33,3.47,;-3.33,1.93,;-4.66,2.7,;-6,1.93,;-7.33,2.7,;-7.33,4.24,;-8.67,1.93,;-8.67,.39,;-7.33,-.38,;-6,.39,;-5.23,-.95,;-4.46,.39,;-.67,1.93,;.66,2.7,;.67,4.23,)|

COc1cc(OC(C)=O)c(c2C=C[C@](C)(CCC3=C(C)CCCC3(C)C)Oc12)-c1c(OC(C)=O)cc(OC)c2O[C@](C)(CCC3=C(C)CCCC3(C)C)C=Cc12 |r,wD:13.13,40.43,c:11,17,47,57,(8.67,1.54,;7.33,.77,;6,1.54,;6,3.08,;4.67,3.85,;4.67,5.39,;6,6.16,;7.34,5.39,;6,7.7,;3.33,3.08,;3.33,1.53,;2.01,.75,;2.01,-.79,;3.35,-1.55,;4.69,-2.31,;3.35,-3.09,;2.02,-3.86,;2.02,-5.4,;3.35,-6.17,;4.69,-5.4,;3.35,-7.71,;2.02,-8.48,;.68,-7.71,;.68,-6.17,;-.09,-4.83,;-.86,-6.17,;4.68,-.77,;4.67,.77,;2,3.85,;2,5.4,;3.33,6.17,;3.33,7.71,;2,8.48,;4.67,8.48,;.66,6.16,;-.66,5.39,;-2,6.16,;-3.33,5.39,;-.66,3.85,;-2,3.08,;-2,1.55,;-3.33,2.32,;-3.33,.78,;-4.66,1.55,;-6,.78,;-7.33,1.55,;-7.33,3.09,;-8.67,.78,;-8.67,-.76,;-7.33,-1.53,;-6,-.76,;-5.23,-2.1,;-4.46,-.76,;-.67,.78,;.66,1.54,;.67,3.08,)|

COc1cc(OC(C)=O)c(c2C=C[C@@](C)(CCC3=C(C)CCCC3(C)C)Oc12)-c1c(OC(C)=O)cc(OC)c2O[C@](C)(CCC3=C(C)CCCC3(C)C)C=Cc12 |r,wU:40.43,wD:13.13,c:11,17,47,57,(-3.33,5.39,;-2,6.16,;-.66,5.39,;.66,6.16,;2,5.4,;3.33,6.17,;3.33,7.71,;2,8.48,;4.67,8.48,;2,3.85,;.67,3.08,;.66,1.54,;-.67,.78,;-2,1.55,;-3.33,2.32,;-3.33,.78,;-4.66,1.55,;-6,.78,;-7.33,1.55,;-7.33,3.09,;-8.67,.78,;-8.67,-.76,;-7.33,-1.53,;-6,-.76,;-5.23,-2.1,;-4.46,-.76,;-2,3.08,;-.66,3.85,;3.33,3.08,;4.67,3.85,;4.67,5.39,;6,6.16,;7.34,5.39,;6,7.7,;6,3.08,;6,1.54,;7.33,.77,;8.67,1.54,;4.67,.77,;4.68,-.77,;3.35,-1.55,;4.69,-2.31,;3.35,-3.09,;2.02,-3.86,;2.02,-5.4,;3.35,-6.17,;4.69,-5.4,;3.35,-7.71,;2.02,-8.48,;.68,-7.71,;.68,-6.17,;-.09,-4.83,;-.86,-6.17,;2.01,-.79,;2.01,.75,;3.33,1.53,)|

COc1cc(OC(C)=O)cc2C=CC(C)(CCC3=C(C)CCCC3(C)C)Oc12 |c:11,17|

C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r|

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(cc2)-c2ncn(n2)C2CC2)c1OC

CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCCC(=O)NO |r|

CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[S+](C)Cc2cccc(C[S+](C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)c2)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC[S+](C)Cc2cccc(C[S+](C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)c2)C(=O)NCCCCCC(=O)NO |r|

Clc1ccc(cc1)-c1nc2ccccc2c(=O)n1CC(=O)N\N=C/c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1

Nc1cc(c[nH]c1=O)-c1ccncc1

CC1=C(C=C(C(=O)N1)C#N)c2ccncc2

CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C

O=C1CCC(=NN1)c1ccc(cc1)-n1ccnc1 |c:4|

C[C@@H]1CC(=O)NN=C1c1ccc(cc1)-n1ccnc1 |r,c:6|

CC1(C)C(=O)Nc2ccc(cc12)C1=NNC(=O)CC1 |t:14|

CC1CC(=O)NN=C1c1ccc2N(C)C(=O)CCc2c1 |c:6|

COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2

[H][C@]1(C)N2Cc3c(Cl)cccc3N=C2NC1=O |c:13|

CC1N2Cc3c(C)c(Br)ccc3N=C2NC1=O |c:13|

COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1

CN(C1CCCCC1)C(=O)CCCOc1ccc2nc(O)ccc2c1

O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1

CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|

c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl

OC1N2Cc3c(ccc(Cl)c3Cl)N=C2NC1=O |c:13|

Cc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C

CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3

CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O

Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C

CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O

CC(C)(C)c1cnc(CSc2nc(NC(=O)C3CCNCC3)ncc2Cl)o1

CCNCc1cncc(-c2ccc(cc2)-c2c[nH]nc2-c2nc3c(F)cc(F)cc3[nH]2)c1C

O=C(NCc1ccncc1)c1cc(Nc2cccc(OC[C@@H]3CCCN3)n2)ncn1 |r|

Clc1cccc(Cl)c1C(=O)Nc1ccnc2[nH]c(cc12)C(=O)NC1CCNCC1

CC(C)CCn1c2cc(NC(=O)C3CCN(C)CC3)ccc2[nH]c1=O

CC(C)Nc1nc2nc([nH]c(=O)c2cc1Br)-c1ccc(cc1)S(C)(=O)=O

C[C@H](CO)Nc1ccc(cc1)N(C(C)C)c1cc(NCc2cnc(C)cc2C)ncn1 |r|

Cc1c(Nc2ccnc(N)n2)nccc1-c1ccc(F)cc1

Cc1cc(cc(c1)-c1cc(NC2CCN(CC2)S(C)(=O)=O)n[nH]1)C1CCCC1

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cnc2[nH]c(cc2c1)-c1ccnn1C |r|

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(Nc2nccc3nc[nH]c23)n[nH]1 |r|

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(Nc2ccn(C)n2)n[nH]1 |r|

CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)c2cc(n[nH]2)Nc3ccccn3

O=C1NCCCCCc2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r|

O=C1NCCCCOc2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r|

O=C1NCCCOCc2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r|

O=C1NCCOCCc2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r|

O=C1NCCCNCc2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r|

c1cc2nc(c1)Nc3cc([nH]n3)[C@H]4CC[C@H](C4)OC(=O)NCCCNC2=O

O=C1CCNC(=O)O[C@@H]2CC[C@@H](C2)c2cc(Nc3cccc(CN1)n3)n[nH]2 |r|

O=C1NCCCCS(=O)(=O)c2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r|

O=C1NCCCNS(=O)(=O)c2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r|

O=C1N[C@H]2C[C@@H](C2)OCc2cccc(Nc3cc([nH]n3)[C@H]3CC[C@H](C3)O1)n2 |r,wU:3.2,wD:20.21,23.27,5.7,(7.26,-1.73,;5.36,-1.73,;4.16,-3.17,;1.23,-3.1,;-.12,-3.88,;-.89,-2.55,;.46,-1.77,;-2.38,-2.15,;-3.87,-2.54,;-4.95,-1.44,;-6.49,-1.44,;-7.26,-.12,;-6.5,1.22,;-4.95,1.22,;-4.18,2.55,;-2.64,2.55,;-1.61,1.41,;-.21,2.03,;-.37,3.56,;-1.87,3.88,;1.06,1.19,;.89,-.34,;2.29,-.99,;3.33,.15,;2.57,1.49,;4.83,-.19,;-4.18,-.12,)|

CNC(=O)c1cccc(Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)n1 |r|

Cc1nnsc1C(=O)Nc1nnc(SCc2ccccc2)s1

CC(C)c1nnsc1C(=O)Nc1nnc(SCc2ccccc2)s1

CCCc1nnsc1C(=O)Nc1nnc(SCc2ccccc2)s1

O=C(Nc1nnc(SCc2ccccc2)s1)c1snnc1C1CC1

O=C(Nc1nnc(SCc2ccccc2)s1)c1snnc1-c1ccccc1

CCc1nnsc1C(=O)Nc1nnc(SCc2ccccc2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2ccccc2C)s1

CCc1nnsc1C(=O)Nc1nnc(COc2ccccc2)s1

CCc1nnsc1C(=O)Nc1nnc(s1)S(=O)(=O)Cc1ccccc1

CCc1nnsc1C(=O)Nc1nnc(CSc2ccccc2)s1

CCSc1nnc(NC(=O)c2snnc2CC)s1

CCc1nnsc1C(=O)Nc1nnc(CCc2ccccc2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2cccc(OC)c2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2cccc(C)c2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2cccc(F)c2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2cccc(c2)[N+]([O-])=O)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2ccc(C)c(C)c2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2cc(C)cc(C)c2)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2cc(Cl)ccc2Cl)s1

CCc1nnsc1C(=O)Nc1nnc(SCc2ccsc2)s1

CCc1nnsc1C(=O)Nc1nnc(SCC2CCCCC2)s1

CCc1nnsc1C(=O)Nc1nnc(SCC2CCCC2)s1

Clc1nc2ccccn2c1C(=O)Nc1nnc(SCC2CCCC2)s1

CC1(CC1)NC1=Nc2cc(Cl)sc2S(=O)(=O)N1 |t:6|

Cn1c2ncn(Cc3ccc(cc3)C(C)(C)C)c2c(=O)n(C)c1=O

CC1=NS(=O)(=O)c2cc(Cl)ccc2N1 |t:1|

CC1Oc2ccc(cc2N(C)C1=O)-c1csc(NC(=O)C(Cl)(Cl)Cl)n1

[O-][N+](=O)c1cnc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)s1

O=C(NCCc1csc(n1)-n1cccn1)c1cc(n[nH]1)-c1ccccc1

CCCc1nnsc1C(=O)Nc1nc(SCc2ccccc2)ns1

CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)C#N

C[C@H]1OC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)\C(C)=C\C[C@@H](O)[C@@H]1C |r,t:19|

Cc1[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)CNC(=O)c4ccc(O)c(O)c4)sc3C2)c(Cl)c1Cl |r|

CS(=O)(=O)N1CCC(CC1)Nc1ncc2nc(O)c(=O)n(C3CCCC3)c2n1

CCS(=O)(=O)N1CCC(CC1)Nc1ncc2nc(O)c(=O)n(C3CCCC3)c2n1

COc1nc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O

CCC(C)n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2nc(OC)c1=O

CCC(CC)n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2nc(OC)c1=O

COc1nc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCOCC2)c1=O

CS(=O)(=O)N1CCC(CC1)Nc1ncc2nc(NN)c(=O)n(C3CCCC3)c2n1

CS(=O)(=O)c1ccc(Nc2ncc3nc(NN)c(=O)n(C4CCCC4)c3n2)cc1

CN1CCN(CC1)c1ccc(Nc2ncc3nc(O)c(=O)n(C4CCCC4)c3n2)cc1

ONC(=O)CCCCCNC(=O)c1ccc2cccc(OCc3ccccc3)c2n1

ONC(=O)CCCCCNC(=O)c1ccc2cccc(OCc3ccc(Br)cc3)c2n1

COc1ccc(COc2cccc3ccc(nc23)C(=O)NCCCCCC(=O)NO)cc1

CC(C)(C)c1ccc(COc2cccc3ccc(nc23)C(=O)NCCCCCC(=O)NO)cc1

ONC(=O)c1ccc(CNC(=O)c2ccc3cccc(OCc4ccccc4)c3n2)cc1

ONC(=O)c1ccc(CNC(=O)c2ccc3cccc(OCc4ccc(Br)cc4)c3n2)cc1

Cc1ccc(COc2cccc3ccc(nc23)C(=O)NCc2ccc(cc2)C(=O)NO)cc1

COc1ccc(COc2cccc3ccc(nc23)C(=O)NCc2ccc(cc2)C(=O)NO)cc1

ONC(=O)c1ccc(CNC(=O)c2ccc3cccc(OCc4ccc(F)cc4)c3n2)cc1

COc1cccc2ccc(nc12)C(=O)NCc1ccc(cc1)C(=O)NO

CS(=O)(=O)Nc1cc(ccc1O)[C@H](O)CNC1CCN(CC1)c1ccc(CC2NC(=O)SC2=O)cc1 |r|

CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC

CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O

Fc1ccc(cc1)-c1nocc1-c1ccncc1

COc1cc(ccc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(C)(C)O

Nc1ccc(F)cc1C1=NNC(S)NC1=O |t:9|

CNc1ccc(F)cc1C1=NNC(NC1=O)SC |t:10|

CSC1NN=C(C(=O)N1)c1cc(F)ccc1NC(=O)c1ccc(F)cc1 |c:4|

Nc1ccc(F)cc1C1=NNC(Nc2ccc(F)cc2)NC1=O |t:9|

Fc1ccc(cc1)C(=O)Nc1ccc(F)cc1C1=NNC(NC1=O)SSC1NN=C(C(=O)N1)c1cc(F)ccc1NC(=O)c1ccc(F)cc1 |c:31,t:19|

NNC(=S)Nc1nnc(-c2ccc(F)cc2)c(n1)-c1ccc(F)cc1

Cc1n[nH]c(=S)n(-c2nnc(-c3ccc(F)cc3)c(n2)-c2ccc(F)cc2)c1=O

Fc1ccc(cc1)-c1nnc(nc1-c1ccc(F)cc1)-n1cn[nH]c1=S

Fc1ccc(cc1)-c1nnc(nc1-c1ccc(F)cc1)-n1c(=S)[nH][nH]c1=S

Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO

Oc1cc(cc(O)c1O)-c1nn(-c2ccccc2O)c2nnc(nc12)-c1ccc(Cl)cc1

Oc1ccc(cc1)-n1nc(-c2cc(O)c(O)c(O)c2)c2nc(nnc12)-c1ccc(Cl)cc1

Oc1cc(cc(O)c1O)-c1nn(-c2ccc(Cl)cc2)c2nnc(nc12)-c1ccc(Cl)cc1

COc1cc(cc(OC)c1OC)-c1nnc2n(nc(-c3cc(O)c(O)c(O)c3)c2n1)-c1cc(OC)c(OC)c(OC)c1

Oc1ccccc1-n1nc(-c2cc(O)c(O)c(O)c2)c2nc(nnc12)-c1ccccc1

Oc1cccc(c1)-n1nc(-c2cc(O)c(O)c(O)c2)c2nc(nnc12)-c1ccccc1

Oc1ccc(cc1)-n1nc(-c2cc(O)c(O)c(O)c2)c2nc(nnc12)-c1ccccc1

Oc1cccc(c1)-n1nc(-c2cc(O)c(O)c(O)c2)c2nc(nnc12)-c1ccc(Cl)cc1

Oc1cc(cc(O)c1O)-c1nn(-c2cc(O)c(O)c(O)c2)c2nnc(nc12)-c1ccc(Cl)cc1

CCn1c2nc(Nc3ccncc3)nnc2cc(-c2cc(OC)cc(OC)c2)c1=O

Oc1ccc2CCc3ccc(Oc4cc(CCc5cccc(Oc2c1O)c5)cc(O)c4O)cc3

Oc1cc2CCc3cccc(Oc4c(O)cccc4CCc4ccc(Oc(c2)c1O)cc4)c3

COC1Cc2cccc(Oc3c(O)cccc3CCc3ccc(Oc4cc1cc(O)c4O)cc3)c2

Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)ccc4O)cc3)c1

COc1cc(CCc2cccc(Oc3c(O)cccc3CCC3=CCC(O)C=C3)c2)cc(O)c1O |c:28,t:23|

CC(=C)[C@H]1Cc2c(O1)c(O)c(O)cc2CCc1ccccc1 |r|

CC1=CCc2c(O)c(C(O)=O)c(CCc3ccccc3)cc2OC1 |t:1|

Oc1ccc2ccc(=O)oc2c1O

COc1ccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1

COc1cccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1

COc1ccccc1NC(=S)Nc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O

COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O

Oc1ccc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2c1

Oc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1O

OCC1O[C@@H](Oc2ccc3ccc(=O)oc3c2-c2c(O)ccc3ccc(=O)oc23)C(O)C(O)[C@@H]1O |r,wU:4.4,wD:33.38,(-5.33,5,;-4,4.23,;-4,2.69,;-2.67,1.92,;-2.67,.38,;-1.33,-.39,;0,.38,;0,1.93,;1.34,2.69,;2.66,1.92,;4,2.69,;5.33,1.92,;5.33,.38,;6.67,-.39,;4,-.39,;2.66,.38,;1.34,-.38,;1.34,-1.92,;0,-2.69,;-1.33,-1.92,;-0,-4.23,;1.33,-5,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.92,;4,-1.92,;2.67,-2.69,;-4,-.39,;-4,-1.93,;-5.33,.38,;-6.67,-.39,;-5.33,1.92,;-6.67,2.69,)|

[H][C@@]1(O[C@H]2[C@H](Oc3cc(Oc4c(O)c5cc(OC)c(O)cc5oc4=O)cc4oc(=O)ccc34)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)NC(=O)[C@@H](N)CCC(O)=O |r|

[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)NC(=O)CC(O)=O |r|

[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)NC(O)=O |r|

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OC(=O)[C@@H](N)CCC(O)=O |r|

[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)NC(=O)[C@@H](N)CC(O)=O |r|

[H][C@@]12CC[C@H](c3cc(CO)on3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C |r|

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C

[O-][N+](=O)c1ccc2cc(oc2c1)-c1nnc(o1)-c1ccccc1F

Oc1cccc(-c2nnc(o2)-c2cc3ccc(cc3o2)[N+]([O-])=O)c1O

Oc1ccc(-c2nnc(o2)-c2cc3ccc(cc3o2)[N+]([O-])=O)c(O)c1

Cc1c(Nc2cccc3cc(CNCCO)cnc23)cccc1-c1ccccc1

Cc1ccc(cc1F)B(O)O

CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1

C[N+]1(C)CC[C@H](C1)Oc1ccc(C=Cc2ccccc2)cc1

CC[N+](CC)(CC)CCOc1ccccc1

CC[N+](CC)(CC)CCOc1ccc(C=C)cc1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccccc1

CC[N+](CC)(CC)CCOc1ccc(CCc2ccccc2)cc1

CC[N+](CC)(CC)CCOc1ccc(cc1)C#Cc1ccccc1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2ccccc2c1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1cccc2ccccc12

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc3ccccc23)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc3ccccc3c2)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc(c2)C(F)(F)F)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(cc2)C(F)(F)F)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(OC)cc2)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc(O)c2)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(O)cc2)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cc(OC)cc(OC)c2)cc1

CC[N+](CC)(CC)CCOc1ccc(C=Cc2cc(O)cc(O)c2)cc1

CC[N+](CC)(CC)CCOc1ccc(OCc2ccccc2)cc1

CC[N+](CC)(CC)CCOc1ccc(NC(=O)c2ccccc2)cc1

CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)Nc1ccccc1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1nc2ccccc2o1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1nc2ccccc2[nH]1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2cc[nH]c2c1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2[nH]ccc2c1

CC[N+](CC)(CC)CCOc1ccc(cc1)-c1ccc2occc2c1

C[N+]1(C)CC[C@H](C1)Oc1ccc(cc1)-c1ccc2[nH]ccc2c1

CC[N+](CC)(CC)CCOc1ccc(cc1)N=Nc1ccccc1

CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|

C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H]([C@@H](C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C)/C)O)OC)C)C)/C)OC

C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H]([C@@H](C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)OC)C)/C)O)OC)C)C)/C)OC

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(OCc3cccc(c3)C#N)cc2C1=O

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(OCc3ccccc3)cc2C1=O

CC(C)c1ccc(COc2ccc3C(=O)N(C(=O)c3c2)c2cccc(c2C)-c2ccccc2)cc1

O=C1N(C(=O)c2cc(OCc3cccc(c3)C#N)ccc12)c1cccc(-c2ccccc2)c1C#N

O=C1N(C(=O)c2cc(OCc3ccc(cc3)C#N)ccc12)c1cccc(-c2ccccc2)c1C#N

CC(=O)COc1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1C)-c1ccccc1

CC(=O)COc1ccc2C(=O)N(C(=O)c2c1)c1cccc(-c2ccccc2)c1C#N

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCCO

OCCNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(-c2ccccc2)c1C#N

Cc1c(cccc1-c1ccc2OCCOc2c1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCCO

OCCNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(-c2ccc3OCCOc3c2)c1C#N

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(=O)N1CCOCC1

CC(C)N1CCN(CC1)C(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(-c2ccccc2)c1C

O=C(N1CCOCC1)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(-c2ccccc2)c1C#N

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CNCCO)cc2C1=O

CC(=O)NCCNCc1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1C)-c1ccccc1

CN(CCO)Cc1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1C)-c1ccccc1

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CNCCNC(=O)OC(C)(C)C)cc2C1=O

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CNCCN)cc2C1=O

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CNCCNS(C)(=O)=O)cc2C1=O

CCOC(=O)[C@H](CO)NCc1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1C)-c1ccccc1 |r|

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CN[C@@H](CO)C(O)=O)cc2C1=O |r|

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CN3CCOCC3)cc2C1=O

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CNC3CCOCC3)cc2C1=O

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CN3CCC[C@H]3CO)cc2C1=O |r|

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CN3CCCC[C@H]3C(O)=O)cc2C1=O |r|

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CN3CCC[C@H]3C(O)=O)cc2C1=O |r|

Cc1c(cccc1-c1ccccc1)N1C(=O)c2ccc(CN3CCC[C@H]3C(N)=O)cc2C1=O |r|

COc1cc2C(=O)N(C(=O)c2cc1CN[C@@H](CO)C(O)=O)c1cccc(c1C)-c1ccccc1 |r|

COc1cc2C(=O)N(C(=O)c2cc1CN[C@@H](CO)C(=O)OC(C)(C)C)c1cccc(c1C)-c1ccccc1 |r|

COc1cc2C(=O)N(C(=O)c2cc1CNCC(O)=O)c1cccc(c1C)-c1ccccc1

COc1cc2C(=O)N(C(=O)c2cc1CN[C@@H](C)C(O)=O)c1cccc(c1C)-c1ccccc1 |r|

COc1cc2C(=O)N(C(=O)c2cc1CNCCO)c1cccc(c1C)-c1ccccc1

COc1cc2C(=O)N(C(=O)c2cc1CNCCNC(C)=O)c1cccc(c1C)-c1ccccc1

COc1cc2C(=O)N(C(=O)c2cc1CN1CCC[C@H]1C(O)=O)c1cccc(c1C)-c1ccccc1 |r|

Cc1c(cccc1-c1ccccc1)N1C(=O)c2cc(Br)c(CN3CCCC[C@H]3C(O)=O)cc2C1=O |r|

Cc1c(cccc1-c1ccccc1)N1C(=O)c2cc(Br)c(CN3CCOCC3)cc2C1=O

Cc1c(CN2C(=O)c3ccc(CNCCO)cc3C2=O)cccc1-c1ccccc1

CC(=O)NCCNCc1ccc2C(=O)N(Cc3cccc(c3C)-c3ccccc3)C(=O)c2c1

Cc1c(CN2C(=O)c3ccc(CN4CCCC[C@H]4C(O)=O)cc3C2=O)cccc1-c1ccccc1 |r|

CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc2OCOc12)C(=O)OCC |c:5,10|

CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC

Cc1[nH]c(C(=O)Nc2nc3ccc(NC(=O)C(O)=O)cc3s2)c(Cl)c1Cl

Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Cl

CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|

CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12

CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2

Cn1cc(Nc2nccc(n2)N2CC3CCC(C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r|

COc1ccccc1Nc1cc(Nc2ccccn2)ncc1C(N)=O

NC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1Cl

COc1ccccc1Nc1cc(Nc2cccc(C)n2)ncc1C(N)=O

COc1ccccc1Nc1cc(Nc2cccnn2)ncc1C(N)=O

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N1)NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O |r|

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O |r|

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(N)=O |r|

CC(C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|

CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)C1CC(CN1)NC(=O)[C@H](CO)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(N)=O |r|

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O |r|

FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncco2)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ccccn2)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncccn2)nn1

FC(F)OC1CC(CCC1Cl)n1cc(COc2ncccc2F)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(COc2cccnn2)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ccncn2)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(COc2cnccn2)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(COc2cncnc2)nn1

FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncccn2)nn1

C[C@@H](Oc1ncccn1)c1cn(nn1)-c1ccc(Cl)c(OC(F)F)c1 |r|

Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1

Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)nc1

Cc1cnc(OCc2cn(nn2)-c2ccnc(C)c2)nc1

Cc1cnc(OCc2cn(nn2)-c2cccc(c2)C(F)F)nc1

Cc1c(COc2ncc(C)cn2)nnn1-c1cccc(c1)C(F)F

FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(cn2)N2CCC2)nn1

CC(C)(O)c1cnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)nc1

Cc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1

CNc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1

FC(F)Oc1cc(ccc1F)-n1cc(COc2nccc(n2)N2CC(F)C2)nn1

Nc1nc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)ncc1F

COCc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1

COc1cc([C@@H](C)C(=O)N2CC[C@]3(C2)COc2cc(c(C)nc2N3)-c2ncccn2)c(F)cn1 |r|

OC[C@H]1N[C@H](CCCCCCCCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

C[C@H](c1ccccc1)n1nnc2cnc3ccc(cc3c12)-c1ccc(OCCCN(C)C)nc1 |r|

CCNC(=O)c1noc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O

CCNC(=O)c1noc(c1-c1ccc(cc1)P(C)(C)=O)-c1cc(C(C)C)c(O)cc1O

CCNC(=O)c1noc(c1-c1ccc(cc1)[N+]([O-])=O)-c1cc(C(C)C)c(O)cc1O

CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32|

Fc1ccc2oc(=O)cc(NCC3CN(CC4Cc5ccnc(Cl)c5C4)C3)c2c1

Clc1cccc2CC(CNCCC3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)Cc12

Clc1cccc2CC(Cc12)NCCC1CN(C(=O)O1)c1ccc2OCC(=O)Nc2n1

Clc1cccc2CC(Cc12)NCCCC1CN(C(=O)O1)c1ccc2OCC(=O)Nc2n1

Clc1cccc2CC(Cc12)NCC1CN(C(=O)O1)c1ccc2OCC(=O)Nc2n1

Clc1cccc2CC(CCNCC3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)Cc12

Clc1cccc2CC(CCNCCC3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)Cc12

Clc1cccc2CC(CNCC3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)Cc12

O=C1OC(CCNCC2Cc3ccccc3C2)CN1c1ccc2OCC(=O)Nc2n1

Fc1cccc2CC(CNCCC3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)Cc12

O=C1OC(CCNCC2Cc3cccc(C#N)c3C2)CN1c1ccc2OCC(=O)Nc2n1

O=C1OC(CCCNC2Cc3ccccc3C2)CN1c1ccc2OCC(=O)Nc2n1

Fc1cccc2CC(Cc12)NCCCC1CN(C(=O)O1)c1ccc2OCC(=O)Nc2n1

Clc1ccc2CC(Cc2c1)NCCCC1CN(C(=O)O1)c1ccc2OCC(=O)Nc2n1

Fc1ccc2CC(Cc2c1)NCCCC1CN(C(=O)O1)c1ccc2OCC(=O)Nc2n1

O=C1OC(CCCNC2Cc3cccc(C#N)c3C2)CN1c1ccc2OCC(=O)Nc2n1

Clc1cccc2C(CCc12)NCCCC1CN(C(=O)O1)c1ccc2OCC(=O)Nc2n1

Clc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2scc(C3=CCCCC3)c2n1 |t:25|

O=S(=O)(N1CCCC1)c1ccc(Nc2nc(nc3c(csc23)C2=CCCCC2)C2=CCCCC2)cc1 |t:25,32|

Nc1ccc(Nc2nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c3scc(C4=CCCCC4)c3n2)cn1 |t:30|

Nc1ccc(Nc2nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c3scc(C4=CCCCC4)c3n2)nc1 |t:30|

Clc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n2ncc(C3=CCCCC3)c2n1 |t:25|

Nc1ccc(Nc2cc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)n3ncc(C4=CCCCC4)c3n2)nc1 |t:30|

Nc1ccc(Nc2cc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)n3ncc(C4=CCCCC4)c3n2)cn1 |t:30|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n2ncc(C3=CCCCC3)c2n1 |r,wU:4.7,wD:1.0,t:33,(-8.57,.62,;-7.24,-.15,;-7.24,-1.69,;-5.9,-2.46,;-4.57,-1.69,;-4.57,-.15,;-5.9,.62,;-3.23,-2.46,;-1.9,-1.69,;-1.9,-.15,;-.56,.62,;-.56,2.16,;.77,2.92,;.77,4.46,;2.1,5.23,;3.44,4.46,;3.44,2.92,;2.1,2.16,;4.77,5.23,;4,6.57,;5.54,6.57,;6.11,4.46,;6.26,2.92,;7.8,2.62,;8.57,3.95,;7.54,5.08,;.77,-.15,;2.26,.36,;3.13,-.92,;2.26,-2.16,;2.72,-3.64,;4.21,-3.95,;4.72,-5.39,;3.69,-6.57,;2.15,-6.21,;1.69,-4.77,;.77,-1.69,;-.56,-2.46,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n2nccc2n1 |r,wU:4.7,wD:1.0,(-8.57,-1.44,;-7.23,-2.21,;-7.23,-3.75,;-5.9,-4.52,;-4.57,-3.75,;-4.57,-2.21,;-5.9,-1.44,;-3.23,-4.52,;-1.9,-3.75,;-1.9,-2.21,;-.56,-1.44,;-.56,.1,;.77,.87,;.77,2.41,;2.1,3.18,;3.44,2.41,;3.44,.87,;2.1,.1,;4.77,3.18,;4,4.52,;5.54,4.52,;6.11,2.41,;6.26,.87,;7.8,.56,;8.57,1.9,;7.54,3.03,;.77,-2.21,;2.26,-1.74,;3.13,-2.98,;2.26,-4.21,;.77,-3.75,;-.56,-4.52,)|

Clc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncn(C3CCCCC3)c2n1

Nc1ccc(Nc2cc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c3ncn(C4CCCCC4)c3n2)nc1

Nc1ccc(Nc2cc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c3ncn(C4CCCCC4)c3n2)cn1

[O-][N+](=O)c1ccc(Nc2nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c3cncc(Br)c3n2)cc1

[O-][N+](=O)c1ccc(Nc2nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c3cncc(C4=CCCCC4)c3n2)cc1 |t:33|

Nc1ccc(Nc2nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c3cncc(C4=CCCCC4)c3n2)cc1 |t:31|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(Br)n2n1 |r,wU:1.0,wD:4.7,(-8.57,-.87,;-7.23,-1.64,;-5.9,-.87,;-4.57,-1.64,;-4.57,-3.18,;-5.9,-3.95,;-7.23,-3.18,;-3.23,-3.95,;-1.9,-3.18,;-1.9,-1.64,;-.56,-.87,;-.56,.67,;.77,1.44,;2.1,.67,;3.44,1.44,;3.44,2.98,;2.1,3.75,;.77,2.98,;4.77,3.75,;4,5.08,;5.54,5.08,;6.11,2.98,;6.26,1.49,;7.8,1.13,;8.57,2.46,;7.54,3.64,;.77,-1.64,;2.26,-1.13,;3.13,-2.41,;2.26,-3.64,;2.72,-5.08,;.77,-3.18,;-.56,-3.95,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CCC(CC2)S(=O)(=O)N2CCCC2)c2ncc(C3=CCCCC3)n2n1 |r,wU:4.7,wD:1.0,t:33,(-8.57,.62,;-7.23,-.15,;-7.23,-1.69,;-5.9,-2.46,;-4.57,-1.69,;-4.57,-.15,;-5.9,.62,;-3.23,-2.46,;-1.9,-1.69,;-1.9,-.15,;-.56,.62,;-.56,2.15,;.77,2.92,;2.1,2.15,;3.44,2.92,;3.44,4.46,;2.1,5.23,;.77,4.46,;4.77,5.23,;4,6.57,;5.54,6.57,;6.11,4.46,;6.26,2.92,;7.8,2.62,;8.57,3.95,;7.54,5.08,;.77,-.15,;2.26,.36,;3.13,-.92,;2.26,-2.15,;2.72,-3.64,;4.21,-3.95,;4.72,-5.39,;3.69,-6.57,;2.15,-6.21,;1.69,-4.77,;.77,-1.69,;-.56,-2.46,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(C3CCCCC3)n2n1 |r,wU:1.0,wD:4.7,(-8.57,.62,;-7.23,-.15,;-5.9,.62,;-4.57,-.15,;-4.57,-1.69,;-5.9,-2.46,;-7.23,-1.69,;-3.23,-2.46,;-1.9,-1.69,;-1.9,-.15,;-.56,.62,;-.56,2.15,;.77,2.92,;.77,4.46,;2.1,5.23,;3.44,4.46,;3.44,2.92,;2.1,2.15,;4.77,5.23,;4,6.57,;5.54,6.57,;6.11,4.46,;6.26,2.92,;7.8,2.62,;8.57,3.95,;7.54,5.08,;.77,-.15,;2.26,.36,;3.13,-.92,;2.26,-2.15,;2.72,-3.64,;1.69,-4.77,;2.15,-6.21,;3.69,-6.57,;4.72,-5.39,;4.21,-3.95,;.77,-1.69,;-.56,-2.46,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(C3=CCCC3)n2n1 |r,wU:4.7,wD:1.0,t:33,(-8.57,.38,;-7.23,-.38,;-7.23,-1.92,;-5.9,-2.69,;-4.57,-1.92,;-4.57,-.38,;-5.9,.38,;-3.23,-2.69,;-1.9,-1.92,;-1.9,-.38,;-.56,.38,;-.56,1.92,;.77,2.69,;.77,4.23,;2.1,5,;3.44,4.23,;3.44,2.69,;2.1,1.92,;4.77,5,;4,6.34,;5.54,6.34,;6.11,4.23,;6.26,2.69,;7.8,2.39,;8.57,3.72,;7.54,4.85,;.77,-.38,;2.26,.08,;3.13,-1.15,;2.26,-2.39,;2.72,-3.87,;4.21,-4.34,;4.21,-5.87,;2.72,-6.34,;1.8,-5.11,;.77,-1.92,;-.56,-2.69,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(C3CCCC3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,.38,;-7.21,-.38,;-7.21,-1.92,;-5.88,-2.69,;-4.54,-1.92,;-4.54,-.38,;-5.88,.38,;-3.21,-2.69,;-1.87,-1.92,;-1.87,-.38,;-.54,.38,;-.54,1.92,;.8,2.69,;.8,4.23,;2.13,5,;3.46,4.23,;3.46,2.69,;2.13,1.92,;4.75,5,;4.03,6.34,;5.57,6.34,;6.08,4.23,;6.29,2.69,;7.77,2.39,;8.54,3.72,;7.52,4.85,;.8,-.38,;2.23,.08,;3.16,-1.15,;2.23,-2.39,;2.69,-3.87,;1.82,-5.11,;2.69,-6.34,;4.18,-5.88,;4.18,-4.34,;.8,-1.92,;-.54,-2.69,)|

CC(C)Cc1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:27.28,wD:30.32,(4.69,-6,;4.23,-4.52,;5.26,-3.39,;2.75,-4.21,;2.28,-2.77,;3.16,-1.49,;2.28,-.26,;.8,-.72,;-.54,.05,;-.54,1.59,;.8,2.36,;.8,3.9,;2.13,4.67,;3.46,3.9,;3.46,2.36,;2.13,1.59,;4.8,4.67,;4.03,6,;5.57,6,;6.13,3.9,;6.29,2.36,;7.77,2.05,;8.54,3.39,;7.52,4.52,;-1.87,-.72,;-1.87,-2.26,;-3.21,-3.03,;-4.54,-2.26,;-5.88,-3.03,;-7.21,-2.26,;-7.21,-.72,;-8.54,.05,;-5.88,.05,;-4.54,-.72,;-.54,-3.03,;.8,-2.26,)|

CC(C)c1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:26.27,wD:29.31,(4.21,-4.87,;2.72,-4.51,;1.69,-5.69,;2.26,-3.08,;3.13,-1.8,;2.26,-.56,;.77,-1.03,;-.56,-.26,;-.56,1.28,;.77,2.05,;.77,3.59,;2.1,4.36,;3.44,3.59,;3.44,2.05,;2.1,1.28,;4.77,4.36,;4,5.69,;5.54,5.69,;6.11,3.59,;6.26,2.05,;7.8,1.69,;8.57,3.03,;7.54,4.21,;-1.9,-1.03,;-1.9,-2.57,;-3.23,-3.33,;-4.57,-2.57,;-5.9,-3.33,;-7.23,-2.57,;-7.23,-1.03,;-8.57,-.26,;-5.9,-.26,;-4.57,-1.03,;-.56,-3.33,;.77,-2.57,)|

Cc1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:24.25,wD:27.29,(2.69,-5.11,;2.23,-3.62,;3.16,-2.39,;2.23,-1.15,;.8,-1.62,;-.54,-.85,;-.54,.69,;.8,1.46,;.8,3,;2.13,3.77,;3.46,3,;3.46,1.46,;2.13,.69,;4.75,3.77,;4.03,5.11,;5.57,5.11,;6.08,3,;6.29,1.46,;7.77,1.15,;8.54,2.49,;7.52,3.62,;-1.87,-1.62,;-1.87,-3.16,;-3.21,-3.93,;-4.54,-3.16,;-5.87,-3.93,;-7.21,-3.16,;-7.21,-1.62,;-8.54,-.85,;-5.87,-.85,;-4.54,-1.62,;-.54,-3.93,;.8,-3.16,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccccc3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,.62,;-7.21,-.15,;-7.21,-1.69,;-5.87,-2.46,;-4.54,-1.69,;-4.54,-.15,;-5.87,.62,;-3.21,-2.46,;-1.87,-1.69,;-1.87,-.15,;-.54,.62,;-.54,2.15,;.8,2.92,;.8,4.46,;2.13,5.23,;3.46,4.46,;3.46,2.92,;2.13,2.15,;4.75,5.23,;4.03,6.57,;5.57,6.57,;6.08,4.46,;6.29,2.92,;7.77,2.62,;8.54,3.95,;7.52,5.08,;.8,-.15,;2.23,.31,;3.16,-.92,;2.23,-2.21,;2.69,-3.64,;1.67,-4.77,;2.18,-6.26,;3.67,-6.57,;4.69,-5.44,;4.23,-3.95,;.8,-1.69,;-.54,-2.46,)|

COc1ccc(cc1)-c1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:31.33,wD:34.37,(5.67,-7.47,;4.13,-7.11,;3.67,-5.67,;2.18,-5.36,;1.67,-3.87,;2.69,-2.74,;4.23,-3.05,;4.69,-4.49,;2.23,-1.26,;3.16,-.03,;2.23,1.21,;.8,.74,;-.54,1.51,;-.54,3.05,;.8,3.82,;.8,5.36,;2.13,6.13,;3.46,5.36,;3.46,3.82,;2.13,3.05,;4.75,6.13,;4.03,7.47,;5.57,7.47,;6.08,5.36,;6.29,3.82,;7.77,3.51,;8.54,4.85,;7.52,5.98,;-1.87,.74,;-1.87,-.8,;-3.21,-1.56,;-4.54,-.8,;-5.87,-1.56,;-7.21,-.8,;-7.21,.74,;-8.54,1.51,;-5.87,1.51,;-4.54,.74,;-.54,-1.56,;.8,-.8,)|

COc1cccc(c1)-c1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:31.33,wD:34.37,(7.21,-4.62,;6.18,-5.75,;4.69,-5.44,;3.67,-6.57,;2.18,-6.26,;1.67,-4.77,;2.69,-3.64,;4.23,-3.95,;2.23,-2.21,;3.16,-.92,;2.23,.31,;.8,-.15,;-.54,.62,;-.54,2.15,;.8,2.92,;.8,4.46,;2.13,5.23,;3.46,4.46,;3.46,2.92,;2.13,2.15,;4.75,5.23,;4.03,6.57,;5.57,6.57,;6.08,4.46,;6.29,2.92,;7.77,2.62,;8.54,3.95,;7.52,5.08,;-1.87,-.15,;-1.87,-1.69,;-3.21,-2.46,;-4.54,-1.69,;-5.87,-2.46,;-7.21,-1.69,;-7.21,-.15,;-8.54,.62,;-5.87,.62,;-4.54,-.15,;-.54,-2.46,;.8,-1.69,)|

COc1ccc(cc1OC)-c1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:33.35,wD:36.39,(5.67,-7.44,;4.13,-7.13,;3.67,-5.64,;2.18,-5.34,;1.72,-3.9,;2.74,-2.72,;4.23,-3.08,;4.7,-4.52,;6.23,-4.82,;7.26,-3.69,;2.23,-1.28,;3.16,-.05,;2.23,1.23,;.8,.72,;-.54,1.49,;-.54,3.03,;.8,3.8,;.8,5.34,;2.13,6.11,;3.46,5.34,;3.46,3.8,;2.13,3.03,;4.8,6.11,;4.03,7.44,;5.57,7.44,;6.13,5.34,;6.29,3.85,;7.77,3.49,;8.54,4.82,;7.52,6,;-1.87,.72,;-1.87,-.82,;-3.21,-1.59,;-4.54,-.82,;-5.88,-1.59,;-7.21,-.82,;-7.21,.72,;-8.54,1.49,;-5.88,1.49,;-4.54,.72,;-.54,-1.59,;.8,-.82,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccc(F)cc3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,1.36,;-7.21,.59,;-7.21,-.95,;-5.88,-1.72,;-4.54,-.95,;-4.54,.59,;-5.88,1.36,;-3.21,-1.72,;-1.87,-.95,;-1.87,.59,;-.54,1.36,;-.54,2.9,;.8,3.67,;.8,5.21,;2.13,5.98,;3.46,5.21,;3.46,3.67,;2.13,2.9,;4.75,5.98,;4.03,7.31,;5.57,7.31,;6.08,5.21,;6.29,3.67,;7.77,3.36,;8.54,4.69,;7.52,5.82,;.8,.59,;2.23,1.05,;3.16,-.18,;2.23,-1.46,;2.69,-2.9,;1.67,-4.03,;2.18,-5.52,;3.67,-5.82,;4.13,-7.31,;4.69,-4.69,;4.23,-3.21,;.8,-.95,;-.54,-1.72,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccc(O)c(F)c3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,1.36,;-7.21,.59,;-7.21,-.95,;-5.88,-1.72,;-4.54,-.95,;-4.54,.59,;-5.88,1.36,;-3.21,-1.72,;-1.87,-.95,;-1.87,.59,;-.54,1.36,;-.54,2.9,;.8,3.67,;.8,5.21,;2.13,5.98,;3.46,5.21,;3.46,3.67,;2.13,2.9,;4.75,5.98,;4.03,7.31,;5.57,7.31,;6.08,5.21,;6.29,3.67,;7.77,3.36,;8.54,4.69,;7.52,5.82,;.8,.59,;2.23,1.05,;3.16,-.18,;2.23,-1.46,;2.69,-2.9,;1.67,-4.03,;2.18,-5.52,;3.67,-5.82,;4.13,-7.31,;4.69,-4.69,;6.18,-5,;4.23,-3.21,;.8,-.95,;-.54,-1.72,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccc(cc3)C(F)(F)F)n2n1 |r,wU:4.7,wD:1.0,(-8.54,2.08,;-7.21,1.31,;-7.21,-.23,;-5.88,-1,;-4.54,-.23,;-4.54,1.31,;-5.88,2.08,;-3.21,-1,;-1.87,-.23,;-1.87,1.31,;-.54,2.08,;-.54,3.62,;.8,4.39,;.8,5.93,;2.13,6.7,;3.46,5.93,;3.46,4.39,;2.13,3.62,;4.75,6.7,;4.03,8.03,;5.57,8.03,;6.08,5.93,;6.29,4.39,;7.77,4.08,;8.54,5.41,;7.52,6.54,;.8,1.31,;2.23,1.77,;3.16,.54,;2.23,-.69,;2.69,-2.18,;1.67,-3.31,;2.18,-4.8,;3.67,-5.11,;4.7,-3.98,;4.23,-2.49,;4.13,-6.54,;5.67,-6.9,;4.59,-8.03,;3.1,-7.72,;.8,-.23,;-.54,-1,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccc(OC(F)(F)F)cc3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,2.23,;-7.21,1.46,;-7.21,-.08,;-5.87,-.85,;-4.54,-.08,;-4.54,1.46,;-5.87,2.23,;-3.21,-.85,;-1.87,-.08,;-1.87,1.46,;-.54,2.23,;-.54,3.77,;.8,4.54,;.8,6.08,;2.13,6.85,;3.46,6.08,;3.46,4.54,;2.13,3.77,;4.75,6.85,;4.03,8.18,;5.57,8.18,;6.08,6.08,;6.29,4.54,;7.77,4.23,;8.54,5.57,;7.52,6.7,;.8,1.46,;2.23,1.92,;3.16,.69,;2.23,-.54,;2.69,-2.03,;1.67,-3.16,;2.18,-4.64,;3.67,-4.95,;4.13,-6.39,;5.67,-6.75,;6.13,-8.18,;6.7,-5.57,;7.16,-7.05,;4.69,-3.77,;4.23,-2.33,;.8,-.08,;-.54,-.85,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccc(cc3)C#N)n2n1 |r,wU:4.7,wD:1.0,(-8.54,2.08,;-7.21,1.31,;-7.21,-.23,;-5.88,-1,;-4.54,-.23,;-4.54,1.31,;-5.88,2.08,;-3.21,-1,;-1.87,-.23,;-1.87,1.31,;-.54,2.08,;-.54,3.62,;.8,4.39,;.8,5.93,;2.13,6.7,;3.46,5.93,;3.46,4.39,;2.13,3.62,;4.75,6.7,;4.03,8.03,;5.57,8.03,;6.08,5.93,;6.29,4.39,;7.77,4.08,;8.54,5.41,;7.52,6.54,;.8,1.31,;2.23,1.77,;3.16,.54,;2.23,-.69,;2.69,-2.18,;1.67,-3.31,;2.18,-4.8,;3.67,-5.11,;4.69,-3.98,;4.23,-2.49,;4.13,-6.54,;4.59,-8.03,;.8,-.23,;-.54,-1,)|

CN(C)C(=O)c1cccc(c1)-c1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:34.36,wD:37.40,(8.65,-4.59,;7.16,-4.28,;6.64,-2.8,;6.13,-5.41,;6.59,-6.9,;4.59,-5.11,;3.57,-6.23,;2.08,-5.93,;1.62,-4.44,;2.64,-3.31,;4.13,-3.62,;2.13,-1.87,;3.05,-.59,;2.13,.64,;.69,.18,;-.64,.95,;-.64,2.49,;.69,3.26,;.69,4.8,;2.03,5.57,;3.36,4.8,;3.36,3.26,;2.03,2.49,;4.69,5.57,;3.93,6.9,;5.46,6.9,;6.03,4.8,;6.18,3.26,;7.67,2.95,;8.44,4.28,;7.41,5.41,;-1.98,.18,;-1.98,-1.36,;-3.31,-2.13,;-4.64,-1.36,;-5.98,-2.13,;-7.31,-1.36,;-7.31,.18,;-8.65,.95,;-5.98,.95,;-4.64,.18,;-.64,-2.13,;.69,-1.36,)|

CN(C)S(=O)(=O)c1cccc(c1)-c1cnc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)cc(N[C@H]3CC[C@H](N)CC3)nn12 |r,wU:35.37,wD:38.41,(5.67,-7.47,;6.7,-6.29,;8.18,-6.64,;6.23,-4.85,;6.59,-3.36,;7.72,-4.44,;4.69,-4.54,;3.67,-5.67,;2.18,-5.36,;1.72,-3.87,;2.74,-2.75,;4.23,-3.05,;2.23,-1.26,;3.16,-.03,;2.23,1.21,;.8,.74,;-.54,1.51,;-.54,3.05,;.8,3.82,;2.13,3.05,;3.46,3.82,;3.46,5.36,;2.13,6.13,;.8,5.36,;4.8,6.13,;4.03,7.47,;5.57,7.47,;6.13,5.36,;6.29,3.82,;7.77,3.51,;8.54,4.85,;7.52,5.98,;-1.87,.74,;-1.87,-.8,;-3.21,-1.56,;-4.54,-.8,;-5.88,-1.56,;-7.21,-.8,;-7.21,.74,;-8.54,1.51,;-5.88,1.51,;-4.54,.74,;-.54,-1.56,;.8,-.8,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccsc3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,.41,;-7.21,-.36,;-7.21,-1.9,;-5.88,-2.67,;-4.54,-1.9,;-4.54,-.36,;-5.88,.41,;-3.21,-2.67,;-1.87,-1.9,;-1.87,-.36,;-.54,.41,;-.54,1.95,;.8,2.72,;.8,4.26,;2.13,5.03,;3.46,4.26,;3.46,2.72,;2.13,1.95,;4.75,5.03,;4.03,6.36,;5.57,6.36,;6.08,4.26,;6.29,2.72,;7.77,2.36,;8.54,3.69,;7.52,4.87,;.8,-.36,;2.23,.1,;3.16,-1.13,;2.23,-2.41,;2.69,-3.85,;1.82,-5.13,;2.69,-6.36,;4.18,-5.9,;4.18,-4.36,;.8,-1.9,;-.54,-2.67,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3ccoc3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,.41,;-7.21,-.36,;-7.21,-1.9,;-5.87,-2.67,;-4.54,-1.9,;-4.54,-.36,;-5.87,.41,;-3.21,-2.67,;-1.87,-1.9,;-1.87,-.36,;-.54,.41,;-.54,1.95,;.8,2.72,;.8,4.26,;2.13,5.03,;3.46,4.26,;3.46,2.72,;2.13,1.95,;4.75,5.03,;4.03,6.36,;5.57,6.36,;6.08,4.26,;6.29,2.72,;7.77,2.36,;8.54,3.69,;7.52,4.87,;.8,-.36,;2.23,.1,;3.16,-1.13,;2.23,-2.41,;2.69,-3.85,;1.82,-5.13,;2.69,-6.36,;4.18,-5.9,;4.18,-4.36,;.8,-1.9,;-.54,-2.67,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(N)n2n1 |r,wU:4.7,wD:1.0,(-8.54,-.85,;-7.21,-1.62,;-7.21,-3.16,;-5.87,-3.93,;-4.54,-3.16,;-4.54,-1.62,;-5.87,-.85,;-3.21,-3.93,;-1.87,-3.16,;-1.87,-1.62,;-.54,-.85,;-.54,.69,;.8,1.46,;.8,3,;2.13,3.77,;3.46,3,;3.46,1.46,;2.13,.69,;4.8,3.77,;5.57,5.11,;4.03,5.11,;6.13,3,;7.52,3.62,;8.54,2.49,;7.77,1.15,;6.29,1.46,;.8,-1.62,;2.23,-1.15,;3.16,-2.39,;2.23,-3.62,;2.74,-5.11,;.8,-3.16,;-.54,-3.93,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2ncc(-c3cn[nH]c3)n2n1 |r,wU:4.7,wD:1.0,(-8.54,.38,;-7.21,-.38,;-7.21,-1.92,;-5.88,-2.69,;-4.54,-1.92,;-4.54,-.38,;-5.88,.38,;-3.21,-2.69,;-1.87,-1.92,;-1.87,-.38,;-.54,.38,;-.54,1.92,;.8,2.69,;.8,4.23,;2.13,5,;3.46,4.23,;3.46,2.69,;2.13,1.92,;4.8,5,;5.57,6.34,;4.03,6.34,;6.13,4.23,;7.52,4.85,;8.54,3.72,;7.78,2.39,;6.29,2.69,;.8,-.38,;2.23,.08,;3.16,-1.15,;2.23,-2.39,;2.75,-3.87,;1.82,-5.11,;2.75,-6.34,;4.18,-5.88,;4.18,-4.34,;.8,-1.92,;-.54,-2.69,)|

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c2nccn2n1 |r,wU:4.7,wD:1.0,(-8.54,-1.44,;-7.21,-2.21,;-7.21,-3.75,;-5.87,-4.52,;-4.54,-3.75,;-4.54,-2.21,;-5.87,-1.44,;-3.21,-4.52,;-1.87,-3.75,;-1.87,-2.21,;-.54,-1.44,;-.54,.1,;.8,.87,;.8,2.41,;2.13,3.18,;3.46,2.41,;3.46,.87,;2.13,.1,;4.8,3.18,;5.57,4.52,;4.03,4.52,;6.13,2.41,;7.52,3.03,;8.54,1.9,;7.77,.56,;6.29,.87,;.8,-2.21,;2.23,-1.74,;3.16,-2.98,;2.23,-4.26,;.8,-3.75,;-.54,-4.52,)|

CC(C)(O)CC(=O)N1CCc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2C1 |r,wU:20.19,23.23,(7.99,.77,;7.99,-.77,;9.33,-1.54,;9.33,0,;6.66,-1.54,;5.33,-.77,;5.33,.77,;3.99,-1.54,;3.99,-3.06,;2.68,-3.84,;1.34,-3.07,;.02,-3.85,;-1.32,-3.08,;-2.66,-3.85,;-3.99,-3.08,;-5.32,-3.85,;-6.66,-3.08,;-6.66,-1.54,;-5.32,-.77,;-5.32,.77,;-3.99,1.54,;-2.65,.77,;-1.32,1.54,;-1.32,3.08,;.01,3.85,;-2.65,3.85,;-3.99,3.08,;-3.99,-1.54,;-7.99,-.77,;-7.99,.77,;-9.33,-0,;-9.33,-1.54,;-1.32,-1.54,;.01,-.77,;1.34,-1.54,;2.66,-.77,)|

O=C(N1CCc2c1cccc2-c1ccc2OCCOc2c1)c1ncc(CNC2CCOCC2)s1

OCCNCc1ccc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

CC(=O)NCCNCc1ccc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

C(NC1CCOCC1)c1ccc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

OCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

CC(=O)NCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

C(NC1CCOCC1)c1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

OCCNCc1cnc2c(nccc2c1)N1CCc2c1cccc2-c1ccccc1

CC(=O)NCCNCc1cnc2c(nccc2c1)N1CCc2c1cccc2-c1ccccc1

C(NC1CCOCC1)c1cnc2c(nccc2c1)N1CCc2c1cccc2-c1ccccc1

COCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

CC(C)(CO)NCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

NS(=O)(=O)NCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1

O[C@@H]1CCN(Cc2cnc3c(ncnc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

O[C@H]1CCN(Cc2cnc3c(ncnc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

OC[C@@H]1CCN(Cc2cnc3c(ncnc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

OC[C@H]1CCN(Cc2cnc3c(ncnc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

OC(=O)[C@@H]1CCCN1Cc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1 |r|

OC(=O)[C@H]1CCCN1Cc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1 |r|

OC(=O)[C@@H]1CCN(Cc2cnc3c(ncnc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

OC(=O)[C@H]1CCN(Cc2cnc3c(ncnc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

OC(=O)[C@@H]1CCCCN1Cc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1 |r|

OC(=O)[C@H]1CCCCN1Cc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccccc1 |r|

CC(C)(CO)NCc1cnc2c(nccc2c1)N1CCc2c1cccc2-c1ccccc1

OC(=O)[C@@H]1CCN(Cc2cnc3c(nccc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

OC(=O)[C@H]1CCN(Cc2cnc3c(nccc3c2)N2CCc3c2cccc3-c2ccccc2)C1 |r|

OCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccc2OCCOc2c1

CC(=O)NCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccc2OCCOc2c1

COCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccc2OCCOc2c1

CC(C)(CO)NCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccc2OCCOc2c1

NS(=O)(=O)NCCNCc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccc2OCCOc2c1

OC(=O)[C@@H]1CCCN1Cc1cnc2c(ncnc2c1)N1CCc2c1cccc2-c1ccc2OCCOc2c1 |r|

Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N

Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccc(F)cc1N

CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC

[H][C@]12C[C@H](CCOC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OC)cc14)[C@@]3(C2)C(=O)OC |r,TLB:4:3:26.25:10.11,THB:3:8:14.15.13.12:26.1.11,15:25:3.2:10.11,12:10:26.25:3.2|

[H][C@@]12CC[C@@]([H])(C1)C(C)(NC)C2(C)C |r|

C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(O)=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|

CN1C2CCCC1CC(C2)Nc1ccccc1Br |TLB:0:1:7.9.8:3.5.4,10:8:1:3.5.4|

[H][C@@]12C[C@@]([H])(CNC1)c1cc(ccc21)C(F)(F)F |r|

CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r|

CN(C)CCNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1

Clc1c2C(=O)CC(=O)c2c(Cl)c(Cl)c1Cl

CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O

CCCNc1ccc(NCCN)c2C(=O)c3cnccc3C(=O)c12

O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r|

[H][C@]1(c2cccc(O[C@@H]3O[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O |r|

[H][C@]1(CCCCO1)O[C@H]1[C@@H](N)C[C@]([H])(O[C@@]2([H])C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@H]1C

C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O

Oc1cc(O)c(\C=N\NC(=O)c2cc3ccccc3cc2O)cc1O

Oc1ccc(\C=N\NC(=O)c2cc3ccccc3cc2O)cc1O

CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)c5c(cccn5)F

CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC |r|

CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC |r|

CNc1cc(Nc2cccn(-c3ccc(C)nc3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC |r|

CNc1cc(Nc2cccn(-c3ocnc3C)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC |r|

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O

CC(=O)OC[C@H]1O[C@@H](NC(=S)Nc2nc(cs2)-c2ccc(Cl)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|

COc1ccc(cc1)-c1csc(NC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)n1 |r|

COc1ccc(cc1[N+]([O-])=O)-c1csc(NC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)n1 |r|

CCOC(=O)c1c(N)csc1-c1cn(nc1-c1ccc(C)cc1)-c1ccccc1

COc1ccc(Nc2n[nH]c(\N=C\c3ccc(cc3)N3CCCCC3)c2C(N)=O)cc1

Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1

ClCC(=O)N1N=C(CC1c1cccs1)c1cccs1 |c:5|

Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCl |t:8|

ClCC(=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:5|

ClCC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:5|

Fc1ccc(cc1)C1CC(=NN1C(=O)CCl)c1ccc(Br)cc1 |c:10|

Cc1ccc(cc1)C1CC(=NN1C(=O)CCl)c1cccs1 |c:10|

COc1ccc(cc1)C1=NN(C(C1)c1cccc(OC)c1OC)C(=O)CCl |t:9|

COc1cccc(C2CC(Cc3cccs3)=NN2C(=O)CCl)c1OC |c:16|

COc1ccc(cc1)C1=NN(C(C1)c1nc2ccccc2[nH]1)C(=O)CCl |t:9|

ClCC(=O)N1N=C2C(CCC\C2=C/c2ccco2)C1c1ccco1 |c:5|

ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1cccc(Cl)c1

CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)CCl)cc1

CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCl

ClCC(=O)N1CCC(CC1)C(=O)Nc1ccccc1

NC(=O)c1oc2ccccc2c1NC(=O)CCl

ClCC(=O)NCCSc1ccc(Cl)cc1

ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1

COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl

COc1ccc(cc1)C(N(Cc1ccccc1)C(=O)CCl)C(=O)NC1CCCCCC1

COc1ccc(cc1)C(N(Cc1ccc(C)cc1)C(=O)CCl)C(=O)NC1CCCCCC1

COc1ccc(CN(C(C(=O)NC2CCCCCC2)c2ccc(OC)cc2)C(=O)CCl)cc1

COc1ccc(CN(C(C(=O)NC2CCCCC2)c2cccs2)C(=O)CCl)cc1

COc1ccccc1CN(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)CCl

COc1ccc(cc1)C(N(Cc1cccs1)C(=O)CCl)C(=O)NC1CCCCCC1

COc1ccc(cc1)C(N(Cc1cccs1)C(=O)CCl)C(=O)NCCc1ccccc1

ClCC(=O)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1

Cc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)C(=O)CCl

Cc1ccc2n3CCN(C4CCCc(c34)c2c1)C(=O)CCl

Cc1ccc(cc1)S(=O)(=O)N1CCN(C1c1ccccc1)C(=O)CCl

Cc1ccc(cc1)S(=O)(=O)N1CCN(C1)C(=O)CCl

COc1cc(ccc1CN1CCCC1C(O)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC1C(=O)NO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC1C(=O)NN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC1C(=O)NN(C)C)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC1C(=O)NCCN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC1C(=O)NCCO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC1C(=O)NC(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC1C(=O)NC(CO)(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(O)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(=O)NO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(=O)NN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(=O)NN(C)C)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(=O)NCCN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(=O)NCCO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(=O)NC(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(C1)C(=O)NC(CO)(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCCC1C(O)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCCC1C(=O)NN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCCC1C(=O)NN(C)C)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCCC1C(=O)NCCO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCCC1C(=O)NC(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCCC1C(=O)NC(CO)(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC(C1)C(O)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC(C1)C(=O)NO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC(C1)C(=O)NN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC(C1)C(=O)NN(C)C)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC(C1)C(=O)NCCO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC(C1)C(=O)NC(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCCC(C1)C(=O)NC(CO)(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(O)=O)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(=O)NO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(=O)NN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(=O)NN(C)C)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(=O)NCCN)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(=O)NCCO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(=O)NC(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

COc1cc(ccc1CN1CCC(CC1)C(=O)NC(CO)(CO)CO)-c1cccc(c1Cl)-c1ccc2OCCOc2c1

OC[C@H]1N[C@H](CCCCCCCC2=CCCCC2=O)[C@@H](O)[C@@H]1O |r,t:12|

OC[C@H]1N[C@H](CCCCCCCc2ccccc2)[C@@H](O)[C@@H]1O |r|

OC[C@@H]1N[C@@H](CCCCCCCc2ccccc2)[C@H](O)[C@H]1O

Cc1ccc(CCCCCCC[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)cc1

CC(C)(C)c1ccc(CCCCCCC[C@H]2N[C@H](CO)[C@@H](O)[C@@H]2O)cc1

OC[C@H]1N[C@H](CCCCCCCc2ccc(Cl)cc2)[C@@H](O)[C@@H]1O

OC[C@H]1N[C@H](CCCCCCCc2ccc(F)cc2)[C@@H](O)[C@@H]1O

OC[C@H]1N[C@H](CCCCCCCc2cccc(F)c2)[C@@H](O)[C@@H]1O

[H][C@@]1(N[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCc1ccc(cc1)C(C)(C)C

[H][C@@]1(N[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCc1ccc(F)cc1

[H][C@@]1(N[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCc1ccc(F)c(F)c1

[H][C@@]1(N[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](O)CCCCCCc1ccc(Cl)cc1

[H][C@]1(N[C@@H](CO)[C@H](O)[C@H]1O)[C@@H](O)CCCCCCc1ccc(F)c(F)c1

Cc1nnc2[C@H](CC(=O)Nc3ccc(cc3)C(=O)NO)N=C(c3ccccc3)c3ccccc3-n12 |r,t:21|

Cc1nnc2[C@H](CC(=O)NCc3ccc(cc3)C(=O)NO)N=C(c3ccccc3)c3ccccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(CC(=O)NO)cc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(\C=C\C(=O)NO)cc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:23|

Cc1nnc2[C@H](CC(=O)Nc3ccc(cc3)C(=O)NO)N=C(c3ccc(C)cc3)c3ccccc3-n12 |r,t:21|

Cc1nnc2[C@H](CC(=O)NCc3ccc(cc3)C(=O)NO)N=C(c3ccc(C)cc3)c3ccccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(CC(=O)NO)cc3)N=C(c3ccc(C)cc3)c3ccccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(\C=C\C(=O)NO)cc3)N=C(c3ccc(C)cc3)c3ccccc3-n12 |r,t:23|

Cc1nnc2[C@H](CC(=O)Nc3ccc(cc3)C(=O)NO)N=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:21|

Cc1nnc2[C@H](CC(=O)NCc3ccc(cc3)C(=O)NO)N=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(CC(=O)NO)cc3)N=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(\C=C\C(=O)NO)cc3)N=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:23|

Cc1nnc2[C@H](CC(=O)NCc3ccc(cc3)C(=O)NO)N=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(CC(=O)NO)cc3)N=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |r,t:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(\C=C\C(=O)NO)cc3)N=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |r,t:23|

Cc1nnc2[C@H](CC(=O)Nc3ccc(cc3)C(=O)NO)N=C(c3c4CCCCc4sc3-n12)c1ccc(Cl)cc1 |r,c:21|

Cc1nnc2[C@H](CC(=O)NCc3ccc(cc3)C(=O)NO)N=C(c3c4CCCCc4sc3-n12)c1ccc(Cl)cc1 |r,c:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(CC(=O)NO)cc3)N=C(c3c4CCCCc4sc3-n12)c1ccc(Cl)cc1 |r,c:22|

Cc1nnc2[C@H](CC(=O)Nc3ccc(\C=C\C(=O)NO)cc3)N=C(c3c4CCCCc4sc3-n12)c1ccc(Cl)cc1 |r,c:23|

OC[C@H]1NC[C@@H](O)[C@@H]1O |r|

C1[C@@H]([C@H]([C@@H](N1)CO)O)O

CCCCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO |r|

CCCCCCCN1C[C@H](O)[C@@H](O)[C@@H]1CO |r|

CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|

NCc1ccc(COc2scc(c2C#N)-c2ccc(F)cc2)cc1

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3C[C@@H](F)C[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

CCc1cnn2c(Nc3cccc(NC(=O)C=C)c3)cc(nc12)N1CCCC[C@H]1CCO |r|

Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |r,wU:14.15,wD:17.19,(30.75,-4.85,;29.97,-6.19,;28.43,-6.19,;27.96,-7.65,;29.21,-8.55,;30.45,-7.65,;31.94,-8.05,;33.03,-6.96,;34.51,-6.56,;33.42,-5.47,;29.21,-10.1,;30.54,-10.86,;30.54,-12.4,;31.87,-13.17,;33.2,-12.4,;33.2,-10.86,;34.53,-10.1,;35.87,-10.86,;37.2,-10.1,;35.87,-12.4,;34.53,-13.17,;29.21,-13.17,;27.88,-12.41,;27.88,-10.86,;26.54,-10.1,)|

[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C

NCCCNc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1

CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

CCOc1cccc(c1)-c1cccc(COc2cc(OC)c(CNCCNC(C)=O)c(OC)c2)c1C

COc1cc(OCc2cccc(c2C)-c2ccc3OCOc3c2)cc(OC)c1CNCCNC(C)=O

COc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OC)c1CNCCNC(C)=O

Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2F)cccc1-c1ccccc1

Cc1cc(CN2CCCCC2C(O)=O)ccc1OCc1cccc(c1C)-c1ccccc1

COc1cc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCNC(C)=O

CC(=O)NCCNCc1ccc(OCc2cccc(c2C)-c2ccccc2)nc1

Cc1cc(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc(OCc2cccc(c2)C#N)c1CN[C@H](CO)C(O)=O |r|

OC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1ccnc(c1)C#N |r|

OC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1cncc(c1)C#N |r|

OC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(OCc2cccc(c2Br)-c2ccc3OCCOc3c2)cc1OCc1ccnc(c1)C#N |r|

Cc1c(COc2cc(O)c(C=O)cc2Cl)cccc1-c1ccccc1

Cc1c(COc2cc(O)c(C=O)cc2Cl)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(C=O)cc2Cl)cccc1-c1ccccc1

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(C=O)cc2Cl)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(C=O)cc2Cl)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3cocn3)c(C=O)cc2Cl)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(C=O)cc2Cl)cccc1-n1cccc1

CC(=O)NCCNCc1cnc(OCc2cccc(c2C)-c2ccccc2)c(Cl)c1

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccccc1 |r|

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1ccnc(c1)C#N

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNCCO)cc2Cl)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNCCOCCOCCOCCOCCC(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN[C@@H](CCC#C)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN[C@@H](CCCCNC(=O)OCC#C)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N

CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cocn1

Cc1c(COc2cc(OCc3cocn3)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN[C@H](CO)C(O)=O)cc2Cl)cccc1-n1cccc1 |r|

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNCCO)cc2Cl)cccc1-n1cccc1

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-n1cccc1 |r|

CN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1ccnc(c1)C#N)[C@H](CO)C(O)=O |r|

COC(=O)[C@@H](CO)NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1ccnc(c1)C#N |r|

CN(CCO)Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1ccnc(c1)C#N

COCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1ccnc(c1)C#N

CC(=O)N1CCN(Cc2cc(Cl)c(OCc3cccc(c3C)-c3ccc4OCCOc4c3)cc2OCc2cccc(c2)C#N)C1=O

CN(CCO)Cc1cc(Cl)c(OCc2cccc(c2C)-n2cccc2)cc1OCc1ccnc(c1)C#N

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN3CCOC3CF)cc2Cl)cccc1-c1ccc2OCCOc2c1

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CN3CCCC[C@H]3C(=O)OCCF)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r|

Cc1c(COc2cc(OCc3ccnc(c3)C#N)c(CNCCF)cc2Cl)cccc1-c1ccc2OCCOc2c1

CC(=O)NCCN(Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N)C(=O)OCCF

CCOC(=O)C(=C\c1cccc(c1)C#N)\C#N

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN1CCCC[C@H]1C(O)=O |r|

COC1CCN(CC1)c1cc(nc2n(nc(C3CCC3)c12)-c1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C

Nc1nccc2cc(ccc12)-c1cccc(c1)B(O)O

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(C=O)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(C=O)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CO)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CO)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCO)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNCCO)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(CO)CO)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC(CO)CO)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC(C)(CO)CO)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC[C@@H](O)CO)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC[C@@H](O)CO)cc3Cl)ncnc12 |r|

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC[C@H](O)CO)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC[C@H](O)CO)cc3Cl)ncnc12 |r|

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(CO)(CO)CO)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC(CO)(CO)CO)cc3Cl)ncnc12

COCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2cccc3c(Oc4cc(OCc5cccc(c5)C#N)c(CNCCOC)cc4Cl)ncnc23)cc1OCc1cccc(c1)C#N

CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(c2C)-c2cccc3c(Oc4cc(OCc5cccc(c5)C#N)c(CNCCNC(C)=O)cc4Cl)ncnc23)cc1OCc1cccc(c1)C#N

CN(CCO)Cc1cc(Cl)c(OCc2cccc(c2C)-c2cccc3c(Oc4cc(OCc5cccc(c5)C#N)c(CN(C)CCO)cc4Cl)ncnc23)cc1OCc1cccc(c1)C#N

CCNCc1cc(Cl)c(OCc2cccc(c2C)-c2cccc3c(Oc4cc(OCc5cccc(c5)C#N)c(CNCC)cc4Cl)ncnc23)cc1OCc1cccc(c1)C#N

CC(C)NCc1cc(Cl)c(OCc2cccc(c2C)-c2cccc3c(Oc4cc(OCc5cccc(c5)C#N)c(CNC(C)C)cc4Cl)ncnc23)cc1OCc1cccc(c1)C#N

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC3CC3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC4CC4)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC3CCC3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC4CCC4)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC3CCCC3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC4CCCC4)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC3CCCCC3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC4CCCCC4)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@@H](O)C3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CN4CC[C@@H](O)C4)cc3Cl)ncnc12 |r|

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@H](O)C3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CN4CC[C@H](O)C4)cc3Cl)ncnc12 |r|

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCC(O)CC3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CN4CCC(O)CC4)cc3Cl)ncnc12

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC3CCOCC3)cc2Cl)cccc1-c1cccc2c(Oc3cc(OCc4cccc(c4)C#N)c(CNC4CCOCC4)cc3Cl)ncnc12

CC(CO)(CO)NCc1cc(Cl)c(Oc2ncnc3c(cccc23)-c2ccc3OCCOc3c2)cc1OCc1cccc(c1)C#N

Cc1c(Nc2nccc3cc(CN4CC[C@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CC[C@@H](C4)C(O)=O)cc(C#N)c3o2)c1C |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCN1CCCC1 |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCNC(=O)c1ccccn1 |r|

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N

CN1CCC(CC1)NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O

CNC1CCC(O)(Cn2cnc3c(N)ncnc23)C(O)C1

Nc1ncnc2n(C[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)cnc12 |r|

CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C

CC1(C)CCN(Cc2ccc3nc(Cn4cc(nn4)-c4cc(Br)cc5[nH]ncc45)cn3c2)CC1

COc1cc(-c2cn(Cc3cn4cc(CNCC5(CCC5)OC)ccc4n3)nn2)c2cn[nH]c2c1

Clc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1

COc1ccc2[nH]ncc2c1-c1cn(Cc2cn3cc(CNCC4CCC4)ccc3n2)nn1

COc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1

FC12CC(CNCc3ccc4nc(CNC(=O)c5cc(=O)n6ccccc6n5)cn4c3)(C1)C2

Nc1ncnc2n(cc(Cl)c12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)c1ccc2cc(CNCC34CC(F)(C3)C4)[nH]c2c1 |r|

Nc1ncnc2n(cc(Br)c12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)c1ccc2cc(CN3CCC4(CCC4)C3)[nH]c2c1 |r|

Nc1ncnc2n(cc(Br)c12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)c1ccc2cc(CNCC34CC(F)(C3)C4)[nH]c2c1 |r|

O=C(NCc1ccc2cc(CNCC3CCC3)[nH]c2c1)c1cc(=O)n2ccccc2n1

Fc1cc2cc(CNCC3CCC3)[nH]c2cc1CNC(=O)c1cc(=O)n2ccccc2n1

FC12CC(CNCc3cc4ccc(CNC(=O)c5cc(=O)n6ccccc6n5)cc4[nH]3)(C1)C2

CC(NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1)C12CC(F)(C1)C2

CCC1(CC)CN(Cc2cc3ccc(CNC(=O)c4cc(=O)n5ccccc5n4)cc3[nH]2)C1

FC12CC(CNCc3cc4ccc(CNC(=O)c5cc(=O)n6ccsc6n5)cc4[nH]3)(C1)C2

COc1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cncn2c1

COc1cc(-c2cn(Cc3cn4cc(CNCC56CC(C5)C6)ccc4n3)nn2)c2cncn2c1

COc1cc(-c2cn(Cc3cn4cc(CNCC56CC(F)(C5)C6)ccc4n3)nn2)c2cncn2c1

Nc1ncnc2n(ccc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)c1ccc2cc(CN3CCC4(CCC4)C3)[nH]c2c1 |r|

O=C(NCc1ccc(cc1)N1CCCC1=O)c1cc(=O)c2ccccc2o1

O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1

OC(=O)c1ccccc1OCCc1cn(-c2ccc(cc2)-c2c(Cl)cccc2Cl)c2ccc(cc12)-c1ccc(F)cc1

Cc1c(CCOc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1

OC(=O)c1ccccc1OCCc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12

OC(=O)c1ccccc1OCCc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)-c1ccccc1

OC(=O)c1ccccc1OCCc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)-c1ccc(F)cc1

OC(=O)c1ccccc1OCCc1cn(-c2ccc(cc2)-c2ccccc2)c2ccc(cc12)-c1ccc(F)cc1

OC(=O)c1ccccc1OCCc1cn(-c2ccc(cc2)-c2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(F)cc1

OC(=O)c1ccccc1OCCc1cn(-c2cccc(c2)-c2ccccc2)c2ccc(cc12)-c1ccc(F)cc1

CC1=NN(C(=O)\C1=N/Nc1cccc(c1)-c1cccc(c1)C(O)=O)c1ccc(C)c(C)c1 |t:1|

Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|

Cn1ccc(n1)-c1cn([C@H]2C[C@H](O)[C@@H](COc3ccc4ccc(nc4c3)N3CCC3)O2)c2ncnc(N)c12 |r|

Nc1ncnc2n(cc(-n3cccn3)c12)[C@@H]1O[C@H](COc2ccc3ccc(nc3c2)N2CCC2)[C@@H](O)[C@@H]1F |r|

Cc1coc(n1)-c1cn([C@@H]2O[C@H](COc3ccc4ccc(nc4c3)N3CCC3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 |r|

Cn1ccc(n1)-c1cn([C@@H]2O[C@H](COc3ccc4ccc(NC5CCC5)nc4c3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 |r|

CNc1ccc2ccc(OC[C@H]3O[C@H]([C@@H](F)[C@@H]3O)n3cc([C@@H]4CCCO4)c4c(N)ncnc34)cc2n1 |r|

Cn1ccc(n1)-c1cn([C@@H]2O[C@H](COc3ccc4ccc(nc4c3)N3CCC3)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 |r|

Nc1ncnc2n(cc(-n3cccn3)c12)[C@H]1C[C@H](O)[C@@H](COc2ccc3ccc(nc3c2)N2CCC2)O1 |r|

Cn1ccc(n1)-c1cn([C@@H]2O[C@@H]([C@@H](O)[C@@H]2F)C(=O)Nc2ccc3ccc(nc3c2)N2CCC2)c2ncnc(N)c12 |r|

CNc1ccc2ccc(OCc3cncc(c3)-n3cc([C@@H]4CCCO4)c4c(N)ncnc34)cc2n1 |r|

CNc1ccc2ccc(CCc3cncc(c3)-n3cc(-c4ccn(C)n4)c4c(N)ncnc34)cc2n1

CCc1cc(NCCOC)c2ccc(CCc3cncc(c3)-n3cc(-c4ccn(C)n4)c4c(N)ncnc34)cc2n1

CCc1cc(N(C)CCOC)c2ccc(CCc3cncc(c3)-n3cc(-c4ccn(C)n4)c4c(N)ncnc34)cc2n1

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|

C[C@@H](NC(=O)N1[C@@H]([C@@H](Cc2ccnc(N)c2)C1=O)C(O)=O)C1CCCCC1 |r|

[#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O

[O-]S(=O)(=O)Oc1cc(OS([O-])(=O)=O)cc(c1)C(=O)O[C@H]1[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H]1OC(=O)c1cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c1 |r|

CCCc1cc(Cl)cc2[nH]c(=O)c(c(O)c12)-c1cccc(O[11CH3])c1

N[C@H](C[C@H]1CC(=NN1c1ccc(CCCF)cc1)C(O)=O)C(O)=O |r,c:5|

[11CH3]Oc1cccc(c1)-c1c(O)c2c(I)cc(Cl)cc2[nH]c1=O

C(Oc1cccnc1)[C@@H]1CCN1 |r|

Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)|

CN1C2CC(C1CCC2)c1cncc(c1)-c1cccnc1[18F] |TLB:9:4:1:8.7.6|

CN1C2CC(C1CCC2)c1cncc(c1)-c1cccc([18F])n1 |TLB:9:4:1:8.7.6|

CN1CC=C[C@H]1COc1cccnc1[18F] |r,c:3|

[18F]CCCc1cncc(OC[C@H]2NCC=C2)c1 |r,c:14|

[18F]CCCc1cncc(OC[C@@H]2CCN2)c1 |r|

C[C@@H](C[11CH3])CCc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cnnn1[C@H]1OC[C@@H](O)[C@H](O)[C@@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|

CO[C@H]1[C@H](O)[C@@H](CO)O[C@H]([C@@H]1O)n1cc(CNCc2c(OC)cc(OCc3cccc(c3C)-c3ccccc3)cc2OC)nn1 |r|

[H][C@@]12CO[C@H](O[C@@]1([H])[C@H](O)[C@@H](O)[C@@H](O2)n1cc(CNCc2c(OC)cc(OCc3cccc(c3C)-c3ccccc3)cc2OC)nn1)c1ccccc1 |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCc1cn(nn1)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cn(nn1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cn(nn1)[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cnnn1[C@H]1OC[C@@H](O)[C@H](O)[C@@H]1O |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|

CO[C@H]1[C@H](O)[C@@H](CO)O[C@H]([C@@H]1O)n1cc(CNCc2ccc(OCc3cccc(c3C)-c3ccccc3)nc2OC)nn1 |r|

[H][C@@]12CO[C@H](O[C@@]1([H])[C@H](O)[C@@H](O)[C@@H](O2)n1cc(CNCc2ccc(OCc3cccc(c3C)-c3ccccc3)nc2OC)nn1)c1ccccc1 |r|

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CN[C@H](C)CO |r|

COc1ccc(CNCc2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

CO[C@H]1[C@H](O)[C@@H](CO)O[C@H]([C@@H]1O)n1cc(CNCc2ccc(OC)c(OCc3cccc(c3C)-c3ccccc3)c2)nn1 |r|

[H][C@@]12CO[C@H](O[C@@]1([H])[C@H](O)[C@@H](O)[C@@H](O2)n1cc(CNCc2ccc(OC)c(OCc3cccc(c3C)-c3ccccc3)c2)nn1)c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1ccc(CNCc2cn(nn2)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1OCc1cccc(c1C)-c1ccccc1 |r|

COc1nc(OCc2cccc(c2C)-c2ccccc2)ccc1CNCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|

Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)C(O)=O)cc2Cl)cccc1-c1cnc2ccccc2n1

CN(C)CCCN(CCS(O)(=O)=O)Cc1cc(Cl)c(OCc2cccc(c2C)-c2ccc3OCCOc3c2)cc1OCc1cncc(c1)C#N

COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|

Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCOCC2)cs1

Clc1cccc(Cl)c1Cc1nc(NC(=O)NOc2ccccc2)cs1

COc1ccc(CC(=O)Cc2ccn(c2)[C@@H]2C[C@@H](C2)C(N)=O)cc1 |r,wU:15.15,17.20,(8.93,2.12,;7.44,2.52,;6.36,1.43,;4.87,1.83,;3.78,.75,;4.18,-.74,;3.09,-1.83,;1.6,-1.43,;.51,-2.52,;1.2,.06,;-.28,.45,;-.75,1.96,;-2.29,1.96,;-2.75,.49,;-1.5,-.42,;-4.24,.1,;-5.57,.87,;-6.36,-.49,;-5.02,-1.26,;-7.84,-.89,;-8.24,-2.38,;-8.93,.2,;5.67,-1.14,;6.75,-.05,)|

CN1CCC(CC1)N(CC(O)=O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1 |r,t:8|

[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](N)CC[C@]12C |r|

Cc1cc(ccc1Nc1ncc(Br)c(Nc2cccc(F)c2C(N)=O)n1)S(=O)(=O)NCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

FC(F)(F)c1ccc(Nc2cc(ccn2)C(=O)Nc2cnccc2-c2ccccc2)nc1

Clc1ccc(Nc2cc(ccn2)C(=O)Nc2cnccc2-c2ccccc2)cc1

FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(Nc2ccccc2)n1

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccccc2)n1

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccccc2)n1

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccccc2)n1

FC(F)(F)COc1ncncc1NC(=O)c1ccnc(Nc2ccccc2)n1

Cc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

COc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

COc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1F

Clc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1

Fc1cc(Cl)cc(F)c1Nc1nccc(n1)C(=O)Nc1cnccc1-c1ccccc1

CS(=O)(=O)c1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(cc2)C#N)n1

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1

FC(F)(F)COc1ncncc1NC(=O)c1ccnc(Nc2ccc(cc2)C#N)n1

Cc1cc(ccc1Nc1nccc(n1)C(=O)Nc1cnccc1-c1ccccc1)C#N

Clc1cc(ccc1Nc1nccc(n1)C(=O)Nc1cnccc1-c1ccccc1)C#N

Clc1cc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)ccc1C#N

Fc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1

FC(F)(F)c1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1

FC(F)Oc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

FC(F)Oc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccc(F)cc2)cc1

FC(F)(F)Oc1ccc(Nc2nccc(n2)C(=O)Nc2cnccc2-c2ccccc2)cc1

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccncc2)n1

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2cccnc2)n1

FC(F)(F)COc1ccncc1NC(=O)c1ccnc(Nc2ccc(cc2)C(F)(F)F)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(N)=O)c(OC)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)OC)c(OC)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(CO)c(OC)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(O)=O)c(OC)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC)c(OC)c1

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC)c1

CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)N(C)C2CC2)c(OC)c1

CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(CC)c1

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(C)c1

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCO)c1

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC(N)=O)c1

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC#N)c1

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCOC)c1

CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(c1)C1CCOCC1

c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5

CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C

CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1 |r|

CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r|

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(NCc3cccc(Cl)c3)ncnc12 |r|

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(NCc3cccc(c3)C(F)(F)F)ncnc12 |r|

COc1ccc2[nH]cc(-c3nnc(N)nc3-c3cn(C)c4ncc(Br)cc34)c2c1

Cn1cc(-c2nnc(N)nc2-c2c[nH]c3ccc(Br)cc23)c2cc(Br)cnc12

ONC(=O)CCCCCCN1CCC(CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

NC(=O)c1cccc(c1)-c1cnc2[nH]ccc2c1

CCCCC\C=C/C\C=C/CCCCCCCC(=O)O

Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|

Cc1cccc(C)c1-c1cccc(COc2ccc(cc2)[S@@+]([O-])CC(O)=O)c1 |r|

COc1cccc(c1)-c1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1 |r|

ONC(=O)CCCCSc1nc2c3ccccc3[nH]c2c(=O)[nH]1

ONC(=O)CCCCCSc1nc2c3ccccc3[nH]c2c(=O)[nH]1

CCn1c(SCCCCC(=O)NO)nc2c3ccccc3[nH]c2c1=O

ONC(=O)\C=C\c1ccc(CSc2nc3c4ccccc4[nH]c3c(=O)[nH]2)cc1

c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl

Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F

c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br

[H][C@]1(Cc2ccccc2CN1)[C@H](O)CN1CC(C)(C)c2cc(ccc2C1=O)C(=O)N1CCC2(CC2)CC1 |r|

CC(=O)N1CCC(CC1)Nc1cc(C(=O)N2CC[C@@H]([C@@H](O)C2)N2CCc3ccccc3C2)c(F)cn1 |r|

Cc1cc2cc(ccc2nc1N)C(=O)N(Cc1ccc(cn1)C(F)(F)F)[C@@H]1CCCc2[nH]ncc12 |r|

ONC(=O)c1ccc(COc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 |r|

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CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2 |r|

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|

CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |r|

NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|

[H][C@]12CS[C@@H](CCCCC(=O)NCCNC(=O)C3CCCCN3Cc3cc(Cl)c(OCc4cccc(c4C)-c4ccccc4)cc3OCc3cccc(c3)C#N)[C@@]1([H])NC(=O)N2 |r|

[H][C@]12CS[C@@H](CCCCC(=O)N3CCN(CC3)C(=O)C3CCCCN3Cc3cc(Cl)c(OCc4cccc(c4C)-c4ccccc4)cc3OCc3cccc(c3)C#N)[C@@]1([H])NC(=O)N2 |r|

[H][C@]12CS[C@@H](CCCCC(=O)NC3CCN(CC3)C(=O)C3CCCCN3Cc3cc(Cl)c(OCc4cccc(c4C)-c4ccccc4)cc3OCc3cccc(c3)C#N)[C@@]1([H])NC(=O)N2 |r|

[H][C@]12CS[C@@H](CCCCC(=O)N3CCC(CC3)NC(=O)C3CCCCN3Cc3cc(Cl)c(OCc4cccc(c4C)-c4ccccc4)cc3OCc3cccc(c3)C#N)[C@@]1([H])NC(=O)N2 |r|

[H][C@]12CS[C@@H](CCCCC(=O)NCCN(C)C(=O)C3CCCCN3Cc3cc(Cl)c(OCc4cccc(c4C)-c4ccccc4)cc3OCc3cccc(c3)C#N)[C@@]1([H])NC(=O)N2 |r|

[H][C@]12CS[C@@H](CCCCC(=O)NCCCNC(=O)C3CCCCN3Cc3cc(Cl)c(OCc4cccc(c4C)-c4ccccc4)cc3OCc3cccc(c3)C#N)[C@@]1([H])NC(=O)N2 |r|

Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCCC3C(=O)NCCN)cc2Cl)cccc1-c1ccccc1

Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1cccc(NC(=O)c2ccc(CNCCO)cn2)c1C

COc1cc(ccc1CNCCO)C(=O)N1CCc2c1cccc2-c1ccccc1

Cn1nc(Nc2cccc(c2Cl)-c2ccc3OCCOc3c2)c2ncc(CN[C@H](CO)C(O)=O)cc12 |r|

COc1nc(ccc1CNCCO)-c1cccc(c1C)-c1ccccc1

OC[C@H](NCc1cc(Cl)c(OCc2cccc(c2Br)-c2ccccc2)cc1OCc1ccc2nonc2c1)C(O)=O |r|

CC(C)c1cc(C(=O)N2CCc3c(C2)sc2nc(nc(N4CCOC[C@@H]4C)c32)N2CCOC[C@@H]2C)c(O)cc1O |r|

CC(C)c1cc(C(=O)N2CCc3c(C2)sc2nc(nc(N4CCOCC4)c32)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c(O)cc1O

CC(C)c1cc(C(=O)N2CCc3c(C2)sc2nc(nc(N4CCOCC4)c32)-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c(O)cc1O

CC(C)c1cc(C(=O)N2CCc3c(C2)sc2nc(nc(N4CCOCC4)c32)-c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c(O)cc1O

CC(C)c1cc(C(=O)N2CCc3c(C2)sc2nc(nc(N4CCOCC4)c32)-c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)c(O)cc1O

CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O

CC1(C)Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2C=C1 |c:26|

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)c1

N[C@@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)c1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(c1)C(=O)NC1CC1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CCC2)c1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CCCC2)c1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CCCCC2)c1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccccc1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccncc1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1cccnc1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(F)c1

N[C@H]1CCN(C1)c1c2CCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)c1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1nccc(NC(=O)C2CC2)n1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)n1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1cc(NC(=O)C2CC2)ncn1

N[C@H]1CCN(C1)c1c2CCCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)c1

N[C@H]1CCN(C1)c1c2CCCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CCC2)c1

N[C@H]1CCN(C1)c1c2CCCCCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)n1

N[C@H]1CCN(C1)c1c2CCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)c1

N[C@H]1CCN(C1)c1c2CCCc2nc2ccc(cc12)-c1ccnc(NC(=O)C2CCC2)c1

N[C@H]1CCN(C1)c1c2CCCc3ccccc3-c2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)c1

N[C@H]1CCN(C1)c1c2CCCc3ccccc3-c2nc2ccc(cc12)-c1ccnc(NC(=O)C2CC2)n1

CN(C)S(=O)(=O)c1ccc(Nc2cc(ccn2)-c2ccc3nc4CCCCCc4c(N4CC[C@H](N)C4)c3c2)cc1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)c1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c1

N[C@H]1CCN(C1)c1c2CCCCCc2nc2ccc(cc12)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)N2CCNCC2)c1

c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F

O=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12

COc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1

Clc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1

FC(F)(F)c1cc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)ccc1Cl

COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccccc3)c3ccccc23)cc1

COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(OC)cc3)c3ccccc23)cc1

COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c3ccccc23)cc1

S=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12

COc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1

COc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1

Clc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1

Clc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1

COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccccc3)c3ccccc23)cc1

COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(OC)cc3)c3ccccc23)cc1

COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3cccc(Cl)c3)c3ccccc23)cc1

COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(Cl)cc3)c3ccccc23)cc1

O=C(N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12)c1ccccc1

COc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12

Clc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12

COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)c3ccccc3)c3ccccc23)cc1

COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccccn1

CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccc[nH]c1=O

CNC(=O)C(=O)CCCCCCC(=O)Nc1ccccc1

C[C@@H](O)C(=O)CCCCCCC(=O)Nc1ccccc1 |r|

C[C@H](O)C(=O)CCCCCCC(=O)Nc1ccccc1 |r|

C[C@@H](OC(C)=O)C(=O)CCCCCCC(=O)Nc1ccccc1 |r|

CCC(=O)CCCCCCC(=O)Nc1ccccc1

OCC(=O)CCCCCCC(=O)Nc1ccccc1

SCCCCCCC(=O)Nc1ccccc1

O=C(CCCCCSc1nc[nH]n1)Nc1ccccc1

OCC(=O)NCCCCCC(=O)Nc1ccccc1

NCC(=O)NCCCCCC(=O)Nc1ccccc1

SCCNCCCCCCC(=O)Nc1ccccc1

C[S+]([O-])CCCCCCC(=O)Nc1ccccc1

CCN(CC)C(=S)SSCCCCCC(=O)Nc1ccccc1

[O-]P([O-])(=O)OCCCCC(=O)Nc1ccccc1

[O-]P([O-])(=O)OCCCCCC(=O)Nc1ccccc1

[O-]P([O-])(=O)OCCCCCCC(=O)Nc1ccccc1

[O-]P([O-])(=O)NCCCCC(=O)Nc1ccccc1

[O-]P([O-])(=O)NCCCCCC(=O)Nc1ccccc1

[O-]P([O-])(=O)NCCCCCCC(=O)Nc1ccccc1

CP([O-])(=O)NCCCCCC(=O)Nc1ccccc1

CP([O-])(=O)OCCCCCC(=O)Nc1ccccc1

CP([O-])(=O)CCCCCCC(=O)Nc1ccccc1

[O-]P([O-])(=S)OCCCCCC(=O)Nc1ccccc1

O=C(CCCCCC(=O)Nc1ccccc1)Nc1ccccc1

Nc1cccc(NC(=O)CCCCCC(=O)Nc2ccccc2)c1

Nc1cccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)c1

Nc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2)cc1

Nc1ccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)cc1

COc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1

COc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1

COc1cccc(NC(=O)CCCCCC(=O)Nc2ccccc2)c1

COc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2)cc1

COc1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2)c(OC)c1

O=C(CCCCCC(=O)Nc1ccccn1)Nc1ccccc1

O=C(CCCCCCC(=O)Nc1ccccn1)Nc1ccccc1

O=C(CCCCCC(=O)Nc1cccc2cccnc12)Nc1ccccc1

O=C(CCCCCC(=O)Nc1cnc2ccccc2c1)Nc1ccccc1

NC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1

CNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1

CCNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1

CN(C)C(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1

CN(C)CCNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1

OC(=O)CNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1

COc1ccc(\C=C\C(=O)C2=C(Oc3[nH]c(=O)[nH]c(=O)c3C2c2c[nH]c3ccccc23)\C=C\c2ccc(OC)c(O)c2)cc1O |t:10|

O=C1C2=CC=CC3NN=C(C23)c2ccccc12 |c:4,8,t:2|

CN1CCN(CC1)\C=C\C(=O)\C=C\c1cccc(O[Si](C)(C)C(C)(C)C)c1

[H][C@]12Cc3c(OC)c4C(=O)OCc4c(C(OC)OC)c3O[C@]1(C)CC[C@@]1(O)C(C)(C)CCC[C@]21C |r|

[H][C@]12Cc3c(OC)c4C(=O)OCc4c(C=O)c3O[C@]1(C)CC[C@@]1(O)C(C)(C)CCC[C@]21C |r|

[H][C@]12Cc3c(OC)c4C(=O)OCc4c(C=O)c3O[C@]1(C)CC[C@@]1(O)[C@@](C)(COC(C)=O)CCC[C@]21C |r|

COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21

CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1

COCCOc1ccc(C(N)=O)c(c1F)-c1c2[C@H](C)[C@](CN)(Oc2cc(F)c1Cl)c1ccccc1 |r,wD:17.18,19.20,(6.67,4.24,;5.34,3.47,;4,4.24,;2.67,3.47,;1.33,4.24,;0,3.47,;-1.33,4.24,;-2.67,3.47,;-2.67,1.93,;-4.13,1.45,;-5.28,2.48,;-4.45,-.06,;-1.33,1.16,;0,1.93,;1.33,1.16,;-1.33,-.38,;-0,-1.15,;1.46,-.68,;1.86,.81,;2.36,-1.92,;3.7,-2.7,;3.7,-4.24,;1.46,-3.17,;-0,-2.69,;-1.34,-3.46,;-2.67,-2.7,;-4,-3.47,;-2.67,-1.16,;-4.01,-.39,;3.7,-1.16,;3.7,.38,;5.04,1.15,;6.37,.38,;6.37,-1.16,;5.03,-1.93,)|

CNC[C@@]1(Oc2cc(F)c(Cl)c(c2[C@@H]1C)-c1c(F)c(OC)ccc1C(N)=O)c1ccccc1 |r,wD:3.2,13.15,(5.18,-4.62,;3.85,-3.85,;3.85,-2.31,;2.51,-1.54,;1.61,-2.78,;.15,-2.31,;-1.18,-3.08,;-2.52,-2.31,;-3.85,-3.08,;-2.52,-.77,;-3.86,-0,;-1.18,0,;.15,-.77,;1.61,-.3,;2.01,1.19,;-1.18,1.54,;.15,2.31,;1.49,1.54,;.15,3.85,;1.49,4.62,;2.82,3.85,;-1.18,4.62,;-2.52,3.85,;-2.52,2.31,;-3.98,1.83,;-5.13,2.86,;-4.3,.33,;3.85,-.77,;5.18,-1.54,;6.52,-.78,;6.52,.76,;5.19,1.54,;3.85,.77,)|

COc1ccc(C(N)=O)c(c1F)-c1c2[C@H](CO)[C@](CN)(Oc2cc(F)c1Cl)c1ccccc1 |r,wD:17.18,14.15,(2.82,3.47,;1.49,4.24,;.15,3.47,;-1.18,4.24,;-2.52,3.47,;-2.52,1.93,;-3.98,1.45,;-5.12,2.48,;-4.3,-.06,;-1.18,1.16,;.15,1.93,;1.49,1.16,;-1.18,-.38,;.15,-1.15,;1.61,-.68,;2.01,.81,;3.5,1.2,;2.51,-1.92,;3.85,-2.7,;3.85,-4.24,;1.61,-3.17,;.15,-2.69,;-1.18,-3.46,;-2.52,-2.7,;-3.85,-3.47,;-2.52,-1.16,;-3.85,-.39,;3.85,-1.16,;5.18,-1.93,;6.52,-1.16,;6.52,.38,;5.19,1.15,;3.85,.38,)|

FC(F)(F)c1cccc(Nc2ccccc2C(=O)CCl)c1

Oc1c(Cl)cc(Cl)cc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O

Clc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1

O=c1oc2ccccc2cc1-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1

Clc1ccc(Nc2nnc(s2)-c2cc3cc(ccc3[nH]2)C#N)cc1Cl

COc1cc2oc(=O)ccc2cc1-c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O |(1.18,.39,;-.15,-.38,;-1.49,.39,;-1.49,1.93,;-2.82,2.69,;-2.82,4.24,;-4.16,5,;-4.16,6.54,;-5.49,4.23,;-5.49,2.69,;-4.16,1.92,;-4.16,.39,;-2.82,-.38,;-2.82,-1.92,;-1.5,-2.69,;-.03,-2.22,;.87,-3.46,;2.41,-3.46,;3.18,-2.13,;2.41,-.79,;3.18,.53,;4.72,.53,;5.49,-.79,;4.73,-2.13,;-.03,-4.71,;.37,-6.2,;-1.5,-4.23,;-2.82,-5,;-2.82,-6.54,;-4.16,-4.24,;-4.16,-2.69,;-5.49,-1.92,)|

O=C(CCCSc1nc2ccccc2s1)Nc1cccc2ccccc12

Oc1ccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)cc1O

FC(F)(F)c1ccc(c(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1)C(F)(F)F

Oc1ccc(cc1O)-c1nc2ncccc2[nH]1

Cc1ccc(cc1)C(c1c(N)c2ccccc2oc1=O)c1c(N)c2ccccc2oc1=O

[O-][N+](=O)c1cccc(NC(=S)SCC(=O)c2cc3ccccc3oc2=O)c1

[O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=N\NC(=O)c1cc2ccccc2o1)-c1ccccc1

Brc1cccc(NC(=O)COc2ccc(cc2)-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1

Clc1ccc(cc1)N1C(ON=C1c1ccc(Cl)cc1)c1ccccc1 |c:11|

Fc1ccc(cc1)N1C(ON=C1c1ccc(F)cc1)c1ccccc1 |c:11|

COc1ccc(cc1)N1C(ON=C1c1ccc(OC)cc1)c1ccccc1 |c:12|

OC1C(C(c2ccc(OCc3cn(Cc4ccccc4Cl)nn3)cc2)c2c(O)c3ccccc3oc2=O)C(=O)Cc2ccccc12

Cc1ccccc1Cn1cc(COc2ccc(cc2)C(C2C(O)c3ccccc3CC2=O)c2c(O)c3ccccc3oc2=O)nn1

Oc1c(C(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12

O=C(N\N=C/c1ccccc1OCCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2oc1=O

[O-][N+](=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(\C=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c1

Oc1ccc(Cn2cc(COc3ccc(\C=C/C(=O)NCCc4c[nH]c5ccccc45)cc3)nn2)cc1

Clc1ccc(\C=N\Nc2nnc(-c3ccccc3)c(n2)-c2ccccc2)cc1

Clc1ccc(Cl)c(Cn2cc(COc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)c1

Cc1cc2nc(NC(=O)CN3C(=O)S\C(=C/c4ccc(Cl)cc4)C3=O)sc2cc1C

Clc1ccc(Cn2cc(COc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1

Clc1ccc(cc1)-c1nc2ccccc2c(=O)n1CC(=O)N\N=C\c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1

Cc1ccc(cc1)-n1cc(\C=N\NC(=O)Nc2ccccc2)c(n1)-c1ccc(cc1)[N+]([O-])=O

Cc1ccc(cc1)-c1nc2c(C(=O)Nc3ccccc3)c(Nc3ccccc3)nn2c(-c2ccc(Br)cc2)c1N

C\C(=N/OC(=O)\C=C\c1ccc(Br)cc1)c1cc2ccc(Br)cc2oc1=O

Oc1ccc(cc1)C(=O)C1Cc2c(O1)ccc1ccccc21

Oc1cc(cc(O)c1O)-c1cc2cccc(Cl)c2o1

CCOC(=O)c1c(SCc2cn(Cc3cccc(c3)[N+]([O-])=O)nn2)nnc(-c2ccccc2)c1-c1ccccc1

Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O

CC(Sc1nnc(o1)-c1ccc(Cl)cc1)C(=O)Nc1ccc(C)c(C)c1

CN1CCN(CC1)c1ccc2[nH]c(nc2c1)-c1ccc(O)cc1

Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)N1CCOCC1

Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)c1ccccc1

Fc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1F

Fc1cccc(c1)S(=O)(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1

Fc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1

Fc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1ccc(cc1)C#N

Fc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1cccc(Cl)c1

Fc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2cc(Cl)ccc12

Fc1ccccc1Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(Cc2ccccc2F)c2ccccc12

Cc1ccc(cc1)-c1cc(nc(SCc2ccc(Cl)cc2)n1)-c1ccc(Br)cc1

CC(=O)CC(C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc(Br)cc1

COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1

CC(C)(C)c1ccc(Cn2cc(CCS3=Nc4cc(Cl)ccc4C3)nn2)cc1 |t:14|

Cn1cc(-c2nnc(o2)-c2ccc(cc2)C(c2cn(Cl)c3ccccc23)c2cn(Cl)c3ccccc23)c2ccccc12

CCn1cc(C(=O)CC(C2C(=O)N(C)C(=O)N(C)C2=O)c2ccc3ccccc3c2)c2ccccc12

Brc1ccc(Cn2cc(CSc3nc4ccccc4c(=O)n3CCc3ccccc3)nn2)cc1

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4c([nH]c5c(F)cc(F)cc45)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4c([nH]c5cc(ccc45)[N+]([O-])=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|

Oc1ccc2[nH]cc(c2c1)C1(C(=O)Nc2ccc(cc12)[N+]([O-])=O)c1c[nH]c2cccc(O)c12

COc1cc(cc(OC)c1OC)-c1[nH]c2ccccc2c1\C=N\NC(=S)Nc1ccccc1

Cc1cccc(NC(=O)CSc2nnc(Cc3c[nH]c4ccccc34)o2)c1

[#6]\[#6](-[#6])=[#6](/[#6])-[#6]-[#16]-c1nnc(o1)-c1cc(-[#8]-[#6]C(F)(F)F)ccc1-[#8]-[#6]C(F)(F)F

Brc1cccc(CSc2nnc(o2)-c2ccc3nc(-c4ccccc4)c(nc3c2)-c2ccccc2)c1

COc1cccc2cc(oc12)-c1nnc(SCc2cn(CC(=O)NCc3ccc(F)cc3)nn2)o1

CCOC(=O)c1c2C=C(\C(=N\C3CCCCC3)n2nc1-c1ccccc1)c1ccc(O)c(OC)c1 |c:7|

Nc1c(nc2nc3cc(Cl)c(Cl)cc3n2c1-c1ccccc1)-c1ccccc1

NC1=C(C#N)C(c2ccc(Cl)cc2)c2c(O1)c1ccc3ccccc3c1[nH]c2=O |c:1|

Brc1cccc(NC(=O)Cn2cc(CNC(=O)c3c4ccccc4nc4ccccc34)nn2)c1

O=C(Cn1cc(COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)nn1)Nc1ccccc1

COc1ccc(CCn2c(SCc3cn(Cc4ccc(Br)cc4)nn3)nc3ccccc3c2=O)cc1OC

NC1=C(C#N)C(c2ccc(Br)cc2)c2c(O1)c1ccc3ccccc3c1[nH]c2=O |c:1|

CC1=NN(C(=O)\C1=C\c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:1|

COc1ccc(cc1)\N=C1\NC(=O)\C(S1)=C\c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1

COc1ccc(cc1)\N=C1\NC(=O)\C(S1)=C\c1cn(nc1-c1ccc(OC)cc1)-c1ccccc1

COc1cccc(NC(=O)Cn2nc-3c(N(C)Sc4ccccc-34)c2C)c1

Cc1ccc(NC(=O)Oc2ccc(cc2)-c2nc3ccccn3c2NC(C)(C)C)cc1

Oc1ccc(cc1Br)C(=O)Cn1cc(Cn2c3ccccc3c3ccccc23)nn1

Oc1ccc(Br)cc1-c1nc2cc(Cl)ccc2s1

[O-][N+](=O)c1ccccc1S(=O)(=O)Oc1ccc(\C=N\N=C2\NC(=O)CS2)cc1

COc1ccc(cc1)C1NC(=O)c2ccccc2N1

Oc1ccc(cc1)C1NC(=O)c2ccccc2N1

CCCSc1nnc(C(C)c2ccc3cc(OC)ccc3c2)n1-c1ccc(Cl)c(Cl)c1

CCCSc1nnc(C(C)c2ccc3cc(OC)ccc3c2)n1-c1ccc(F)cc1

[H][C@@]12O[C@H](Cn3cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn3)[C@@H](O[C@@]3([H])O[C@H](Cn4cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn4)[C@@H](O[C@@]4([H])O[C@H](Cn5cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn5)[C@@H](O[C@@]5([H])O[C@H](Cn6cc(CO[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)nn6)[C@@H](O[C@@]6([H])O[C@H](Cn7cc(CO[C@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]8O)nn7)[C@@H](O[C@@]7([H])O[C@H](Cn8cc(CO[C@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]9O)nn8)[C@@H](O[C@@]8([H])O[C@H](Cn9cc(CO[C@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%10O)nn9)[C@@H](O[C@@]9([H])O[C@H](Cn%10cc(CO[C@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%11O)nn%10)[C@@H](O1)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|

CN(CCc1ccccc1)C(=O)C1=COc2ccc(OCc3ccccc3)cc2O1 |t:13|

CN(CCc1ccccc1)C(=O)C1=C(Oc2c(OCc3ccccc3)cccc2O1)C(O)=O |t:13|

CN(CCc1ccccc1)C(=O)C1=C(Oc2cc(OCc3ccccc3)ccc2O1)C(O)=O |t:13|

CN(CCc1ccccc1)C(=O)C1=C(Oc2ccc(OCc3ccccc3)cc2O1)C(O)=O |t:13|

OC(=O)C1=C(Oc2ccc(OCc3ccccc3)cc2O1)C(=O)N1CCC(Cc2ccccc2)CC1 |t:3|

OC(=O)C1=C(Oc2cccc(OCc3ccccc3)c2O1)C(=O)N1CCC(Cc2ccccc2)CC1 |t:3|

CN(CCc1ccccc1)C(=O)C1=C(Oc2cc(OCc3ccc4ccccc4c3)ccc2O1)C(O)=O |t:13|

CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC

COc1ccc(\C=C\CCCCOc2ccc(cc2CCC(O)=O)C(=O)c2ccc(O)c(c2)C(C)=O)cc1

CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1

CCCc1ccccc1OCCCCCCc1cccc(OCCCCC(O)=O)c1CCC(O)=O

CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CC[C@@H](CCC(O)=O)Oc12

COc1ccc(\C=C\CCCCOc2cccc(OCCCCC(O)=O)c2CCC(O)=O)cc1

CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)NCC(N)=O |r|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCOc2c1 |c:11|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncsc2c1 |c:11|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2nnsc2c1 |c:11|

Cc1nc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc2s1 |t:9|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2scnc2c1 |c:11|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2ncoc2c1 |c:11|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2OCCc2c1 |c:11|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]cnc2c1 |c:11|

Cn1cnc2ccc(\C=C3/N=C(NC4CCCCC4)NC3=O)cc12 |t:10|

Cn1cnc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|

O=C1NC(NC2CCCCC2)=N\C1=C/c1ccc2[nH]ncc2c1 |c:11|

Cn1ncc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc12 |t:9|

Cn1cc2cc(\C=C3/N=C(NC4CCCCC4)NC3=O)ccc2n1 |t:8|