121 SMILES Strings for Rho-associated protein kinase 1/2

Compound Name
SMILES String
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CNC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SCC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(OC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(SC3CCOC3=O)cc2)c1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(NC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
CN(C1CCOC1=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(SC2CCOC2=O)c1)C(=O)Nc1ccncc1F
CC1CC(Sc2ccc(NC(=O)c3cccc(c3)-c3cc(ccc3CN)C(=O)Nc3ccncc3F)cc2)C(=O)O1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2COC(=O)C2)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2CCOC2=O)cc1F)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(NC3CCOC3=O)cc2)c1)C(=O)Nc1ccncc1F
[H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|
Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|
CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
[H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|
Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|
CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|
NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
Fc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Clc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
Nc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
CC(C)CCN1CCCC(C1)Nc1cccc2cnccc12
Clc1ccccc1CN1CCCC(C1)Nc1cccc2cnccc12
CC(C)CN1CCC(CC1)Nc1cccc2cnccc12
Fc1cccc(F)c1CN1CCC(C1)Nc1cccc2cnccc12
Clc1cccc(CN2CCCC(C2)Nc2cccc3cnccc23)c1
Nc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
Clc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
Nc1cccc(CN2CC[C@@H](C2)Nc2cccc3cnccc23)c1
Clc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
CCCN[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:7.10,4.3,(20.98,-9.84,;19.65,-10.62,;18.32,-9.85,;16.98,-10.62,;15.65,-9.85,;14.31,-10.62,;12.98,-9.86,;12.98,-8.32,;14.31,-7.54,;15.65,-8.31,;11.64,-7.55,;10.31,-8.33,;10.32,-9.88,;8.98,-10.65,;7.65,-9.88,;7.65,-8.34,;6.33,-7.58,;6.32,-6.05,;7.64,-5.28,;8.97,-6.04,;8.98,-7.57,)|
C(Cc1ccccc1)N[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:12.16,wD:9.9,(17.04,-20.38,;18.37,-21.15,;18.38,-22.69,;17.04,-23.45,;17.04,-24.99,;18.37,-25.76,;19.71,-24.98,;19.7,-23.45,;17.04,-18.84,;15.7,-18.07,;15.7,-16.53,;14.36,-15.76,;13.04,-16.54,;13.04,-18.08,;14.37,-18.84,;11.7,-15.78,;10.37,-16.55,;10.38,-18.1,;9.04,-18.88,;7.7,-18.1,;7.71,-16.56,;6.38,-15.8,;6.37,-14.28,;7.7,-13.5,;9.03,-14.26,;9.03,-15.79,)|
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
Nc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1
C(Cc1ccccc1)N[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:9.9,12.16,(34.15,-21.65,;35.48,-22.42,;35.48,-23.96,;34.14,-24.72,;34.14,-26.26,;35.48,-27.03,;36.82,-26.25,;36.81,-24.72,;34.14,-20.11,;32.81,-19.34,;31.47,-20.11,;30.14,-19.35,;30.14,-17.81,;31.47,-17.03,;32.81,-17.8,;28.8,-17.04,;27.47,-17.82,;27.48,-19.37,;26.14,-20.14,;24.81,-19.37,;24.81,-17.83,;23.49,-17.07,;23.48,-15.54,;24.8,-14.77,;26.13,-15.53,;26.14,-17.06,)|
CCCN[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:7.10,wD:4.3,(5.83,-10.31,;4.49,-11.09,;3.16,-10.32,;1.82,-11.09,;.49,-10.32,;.49,-8.78,;-.85,-8,;-2.18,-8.79,;-2.18,-10.33,;-.84,-11.09,;-3.51,-8.02,;-4.85,-8.8,;-4.84,-10.35,;-6.18,-11.12,;-7.51,-10.35,;-7.51,-8.81,;-8.83,-8.05,;-8.84,-6.52,;-7.52,-5.74,;-6.19,-6.51,;-6.18,-8.04,)|
C(N1CCC(CC1)Nc1cccc2cnccc12)c1ccccc1
CCCN1CCC(CC1)Nc1cccc2cnccc12
Nc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Clc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
C1CC1N[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:7.11,4.4,(.53,-21.84,;2.07,-21.84,;1.3,-20.51,;1.3,-18.97,;-.04,-18.2,;-1.37,-18.97,;-2.7,-18.21,;-2.71,-16.67,;-1.38,-15.88,;-.04,-16.66,;-4.05,-15.9,;-5.38,-16.68,;-5.37,-18.23,;-6.71,-19,;-8.04,-18.23,;-8.04,-16.69,;-9.37,-15.93,;-9.38,-14.4,;-8.05,-13.62,;-6.72,-14.39,;-6.71,-15.92,)|
C1CC1N[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:7.11,wD:4.4,(33.09,-14.61,;34.63,-14.61,;33.86,-13.28,;33.85,-11.74,;32.52,-10.97,;32.52,-9.43,;31.18,-8.65,;29.85,-9.44,;29.85,-10.98,;31.18,-11.74,;28.51,-8.67,;27.18,-9.45,;27.19,-11,;25.85,-11.77,;24.51,-11,;24.52,-9.46,;23.19,-8.7,;23.18,-7.17,;24.51,-6.39,;25.84,-7.16,;25.84,-8.69,)|
C(N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Fc1cccc(F)c1CNC(=O)Nc1ccc2[nH]ncc2c1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cccnc1
O=C(Nc1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1
Clc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Clc1ccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)cc1
COc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc(OC)c1
Clc1cccc(Cl)c1CNC(=O)Nc1ccc2[nH]ncc2c1
Fc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc[nH]1
Nc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Cn1ncc2cc(NC3CCCN(Cc4ccccc4)C3)ccc12
Fc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1F
O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
Nc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccncc1
C(N1CCC(CC1)Oc1ccc2[nH]ncc2c1)c1ccccc1
Nc1ccccc1CN1CCCC(C1)Nc1ccc2[nH]ncc2c1
CCCN1CCCC(C1)Nc1ccc2[nH]ncc2c1
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccco1
Clc1ccccc1CN1CCCC(C1)Nc1ccc2[nH]ncc2c1
C(N1CCC(C1)Nc1ccc2[nH]ncc2c1)c1ccccc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cc[nH]c1
Clc1ccc(CNC(=O)Nc2ccc3[nH]ncc3c2)c(Cl)c1
[O-][N+](=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CN(CCNc1ccc2[nH]ncc2c1)Cc1ccccc1
Clc1ccccc1CN1CCC(C1)Nc1ccc2[nH]ncc2c1
O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1
CC(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
C(N[C@H]1CC[C@@H](CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1 |wU:5.8,wD:2.1,(3.91,-44.81,;2.58,-45.58,;1.24,-44.81,;1.24,-43.27,;-.1,-42.5,;-1.42,-43.28,;-1.42,-44.81,;-.09,-45.58,;-2.76,-42.52,;-4.09,-43.29,;-4.08,-44.84,;-5.42,-45.61,;-6.75,-44.84,;-8.22,-45.32,;-9.13,-44.08,;-8.23,-42.82,;-6.76,-43.3,;-5.42,-42.53,;5.24,-45.58,;5.23,-47.12,;6.57,-47.89,;7.9,-47.12,;7.9,-45.57,;6.56,-44.81,)|
COc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Fc1ccc(CN2CCC(CNc3ccc4[nH]ncc4c3)CC2)cc1
C(N[C@H]1CC[C@H](CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1 |wU:2.1,5.8,(39.19,-33.65,;37.85,-34.42,;36.52,-33.65,;35.19,-34.42,;33.86,-33.65,;33.86,-32.12,;35.18,-31.34,;36.52,-32.11,;32.52,-31.36,;31.19,-32.13,;31.2,-33.68,;29.86,-34.45,;28.53,-33.68,;27.06,-34.16,;26.15,-32.92,;27.05,-31.67,;28.52,-32.14,;29.86,-31.37,;40.52,-34.42,;40.51,-35.96,;41.84,-36.73,;43.18,-35.96,;43.17,-34.41,;41.84,-33.65,)|
CC(C)CCN1CCCC(C1)Nc1ccc2[nH]ncc2c1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccoc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccccn1
Clc1cccc(CN2CCC(CC2)Nc2ccc3[nH]ncc3c2)c1
[O-][N+](=O)c1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccccc1
Clc1ccccc1CN1CCC(CC1)Nc1ccc2[nH]ncc2c1
C(N1CCCC(C1)Oc1ccc2[nH]ncc2c1)c1ccccc1
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccc2[nH]ncc2c1
Cc1n[nH]c2ccc(NC3CCCN(Cc4ccccc4)C3)cc12
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccsc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cccs1
Clc1ccc(CN2CCC(CC2)Nc2ccc3[nH]ncc3c2)cc1
Clc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Clc1cccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCCCO)c1 |r|
O=C(NCc1cccc2OCCOc12)c1ccc(cc1)-c1ccncc1
CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
CN(C)CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
COc1cccc(c1)[C@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
CCCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@@H](CN)C1)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnnc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCC2CC2)c1 |r|
COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
C[C@@H]1CCN(CCN1S(=O)(=O)c1cccc2cncc(C)c12)C(=O)CN |r|
CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ncc12
CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ccc12
CC(C)(C#N)c1cccc(c1)-c1ccnc2[nH]ncc12