1207 SMILES Strings for Activin receptor type-1
Compound Name
SMILES String
C(C#Cc1cnc2c(cnn2c1)-c1ccnc2ccccc12)N1CCNCC1
C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
C(CN1CCCCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C(CN1CCNCC1)Oc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C(CN1CCNCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C(CN1CCOCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
C(Cn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)c1ccccc1
C(N1CCCC1)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
C1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
C1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccc2)c1
C1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccn2)c1
C1CC(CCN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C1CC(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CC(N(C1)c1nc(Nc2cn(cn2)-c2cc[nH]n2)c2cccn2n1)c1ccccn1
C1CC(N(C1)c1nc(Nc2cn(cn2)-c2ccccc2)c2cccn2n1)c1ccccn1
C1CC(N(C1)c1nc(Nc2cn(cn2)-c2ccccc2)c2occc2n1)c1ccccc1
C1CC(N(C1)c1nc(Nc2cn(cn2)-c2ccccc2)c2occc2n1)c1ccccn1
C1CC(N(C1)c1nc(Nc2cn(cn2)C2CCCCC2)c2cccn2n1)c1ccccn1
C1CC1n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccc2)c1
C1CC1n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
C1CCC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
C1CN(CCN1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
C1CN(CCN1)c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CN(CCN1)c1ccc(nc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CN(CCN1)c1cnc(s1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CN(CCN1)c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CN(CCN1)c1ncc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
C1CN(CCO1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
C1CN(CCO1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
C1C[C@@H](CN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
C1C[C@H](CN1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
C1C[C@H](N(C1)c1nc(Nc2cn(cn2)C2CCCCC2)c2cccn2n1)c1ccccc1
C1N[C@H]2C[C@@H]1N(C2)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
C1OCC1N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(nc2-c2cccnc2)C2COC2)cc1
C1OCC1n1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
CC(=C)c1cnc(cc1Nc1ccncc1C(=O)N1CCCC1)-c1cc(Cl)ccc1F
CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC(C)(C)CO)-c1cc(Cl)ccc1F
CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NC1CC1)-c1cc(Cl)ccc1F
CC(=C)c1cnc(cc1Nc1ccncc1C(=O)NCCO)-c1cc(Cl)ccc1F
CC(=O)N1CCC(CC1)N1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CC(=O)N1CCC(CC1)N1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccccc12
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
CC(=O)c1cc(ccc1O)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
CC(=O)c1ccc(cc1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
CC(=O)c1cccc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
CC(C)(C)CC(=O)N1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2ccsc2n1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)OC(=O)N1CCC(=CC1)c1ccc2c(Nc3cn(cn3)-c3ccccc3)nc(nn12)N1CCC[C@H]1CO |c:10|
CC(C)(C)OC(=O)N1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2sccc2n1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
CC(C)(C)n1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
CC(C)(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
CC(C)(CN1CCCCC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
CC(C)(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
CC(C)C(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
CC(C)N1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12
CC(C)N1CCN(CC1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccccc12
CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)NC[C@@](C)(O)C(F)(F)F)CC1 |r|
CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:24.25,wD:27.29,(8.66,.77,;7.33,1.54,;7.33,3.08,;6,.77,;6,-.77,;4.66,-1.54,;3.33,-.77,;2,-1.54,;.66,-.77,;-.66,-1.53,;-2,-.77,;-2,.77,;-.67,1.54,;.66,.77,;-3.33,1.54,;-3.33,3.08,;-4.66,3.85,;-6,3.08,;-7.33,3.85,;-6,1.54,;-4.66,.78,;-7.33,.77,;-8.66,1.54,;-7.33,-.77,;-6,-1.54,;-4.66,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-4.66,-3.85,;-6,-3.08,;3.33,.77,;4.66,1.54,)|
CC(C)N1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1
CC(C)NC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
CC(C)Oc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CC(C)[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
CC(C)[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
CC(C)c1cnc(cc1Nc1ccnc2[nH]ccc12)-c1ncccc1F
CC(C)c1cnc(cc1Nc1ccncc1C(=O)NC(CO)CO)-c1cc(Cl)ccc1F
CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(N)=O)-c1cc(Cl)ccc1F
CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCN)-c1cc(Cl)ccc1F
CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(=O)OC(C)(C)C)-c1cc(Cl)ccc1F
CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNC(C)=O)-c1cc(Cl)ccc1F
CC(C)c1cnc(cc1Nc1ccncc1C(=O)NCCNS(C)(=O)=O)-c1cc(Cl)ccc1F
CC(C)c1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |r|
CC(C)c1cnc(cc1Nc1ncnc2[nH]ccc12)-c1cc(Cl)ccc1F
CC(C)c1cnc(cc1Nc1ncnc2[nH]ccc12)-c1ncccc1F
CC(C)c1cnc(cc1Nc1ncnc2[nH]ncc12)-c1cc(Cl)ccc1F
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
CC(C)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F
CC(N)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
CC(N1CCCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
CC(O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F
CC(O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1ccccc1
CC(O)CNC(=O)c1cnccc1Nc1nc(ccc1C(C)C)-c1cc(Cl)ccc1F
CC(O)CNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
CC1(O)CCC(CC1)N1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1 |(-6.56,3.49,;-5.79,2.16,;-7.33,2.16,;-5.79,.62,;-4.45,-.15,;-3.12,.62,;-3.12,2.16,;-4.45,2.93,;-1.79,-.15,;-.45,.62,;.88,-.15,;.88,-1.69,;2.21,-2.46,;2.21,-4,;.88,-4.77,;-.45,-4.01,;-1.79,-4.78,;-.45,-2.46,;-1.79,-1.69,;-3.12,-2.46,;3.54,-1.69,;5,-2.15,;5.92,-.9,;5.04,.32,;3.54,-.15,;5.44,1.8,;6.93,2.2,;7.33,3.69,;6.24,4.78,;4.75,4.38,;4.35,2.89,)|
CC=Cc1cnc(cc1Nc1ccncc1C(=O)N[C@@H](C)CO)-c1cc(Cl)ccc1F |w:1.0|
CCCC=Cc1ccc2c(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc(nn12)N1CCC[C@H]1CO
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
CCCS(=O)(=O)NCc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(C)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(Cl)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(OC)c1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1cc(ccc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCN(CC)C1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)N[C@H]2CC[C@H](O)CC2)CC1 |r,wU:26.27,wD:29.31,(8,3.85,;6.66,3.08,;6.66,1.54,;8,.77,;9.33,1.54,;5.33,.77,;5.33,-.77,;4,-1.54,;2.66,-.77,;1.33,-1.54,;-0,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-0,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-8,3.85,;-6.66,1.54,;-5.33,.77,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;2.66,.77,;4,1.54,)|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-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,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC(C)C)c3n2)cc1 |(1.53,-6.82,;2.86,-6.05,;4.2,-6.82,;4.2,-8.36,;2.86,-9.13,;5.53,-6.05,;6.87,-6.82,;8.2,-6.05,;9.53,-6.82,;9.53,-8.37,;10.86,-9.14,;12.2,-8.36,;13.54,-9.13,;14.87,-8.36,;14.86,-6.82,;16.18,-6.05,;17.53,-6.82,;18.86,-6.04,;20.2,-6.83,;21.53,-6.06,;21.54,-4.53,;20.2,-3.76,;22.87,-3.76,;24.21,-4.54,;24.2,-6.08,;22.86,-6.84,;22.85,-8.38,;20.19,-8.37,;21.52,-9.15,;18.85,-9.13,;18.84,-10.67,;17.5,-11.44,;16.17,-10.66,;17.5,-12.98,;17.52,-8.36,;16.2,-9.13,;12.2,-6.81,;10.86,-6.05,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CCOC)c3n2)cc1 |(30.47,-43.28,;31.8,-42.51,;33.14,-43.28,;33.14,-44.82,;31.81,-45.59,;34.47,-42.51,;35.81,-43.28,;37.14,-42.51,;38.47,-43.28,;38.47,-44.83,;39.81,-45.6,;41.14,-44.83,;42.48,-45.59,;43.81,-44.82,;43.8,-43.29,;45.12,-42.51,;46.47,-43.28,;47.8,-42.51,;49.14,-43.29,;50.47,-42.52,;51.8,-43.3,;51.79,-44.84,;53.14,-42.54,;53.15,-41,;51.81,-40.22,;50.48,-40.99,;49.14,-40.22,;49.13,-44.83,;50.46,-45.61,;47.79,-45.6,;47.78,-47.14,;46.44,-47.9,;46.44,-49.44,;45.1,-50.2,;46.46,-44.82,;45.14,-45.59,;41.14,-43.28,;39.8,-42.51,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4cccc(c4)S(C)(=O)=O)c3n2)cc1 |(26.34,-6.01,;27.68,-5.24,;29.01,-6.01,;29.01,-7.55,;27.68,-8.32,;30.34,-5.24,;31.68,-6,;33.01,-5.23,;34.34,-6,;34.34,-7.55,;35.68,-8.32,;37.01,-7.55,;38.35,-8.32,;39.68,-7.54,;39.67,-6.01,;40.99,-5.23,;42.34,-6,;43.67,-5.23,;45.01,-6.01,;46.35,-5.25,;46.35,-3.71,;45.01,-2.94,;47.68,-2.94,;49.02,-3.72,;49.01,-5.26,;47.67,-6.02,;47.66,-7.56,;45,-7.55,;46.33,-8.33,;43.66,-8.32,;43.65,-9.86,;42.32,-10.62,;40.99,-9.84,;39.66,-10.6,;39.65,-12.14,;40.99,-12.92,;42.32,-12.15,;40.98,-14.45,;39.65,-15.22,;42.47,-14.05,;42.07,-15.54,;42.33,-7.54,;41.01,-8.31,;37.01,-6,;35.67,-5.23,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1 |(58.86,-44.1,;60.19,-43.33,;61.53,-44.1,;61.53,-45.64,;60.19,-46.41,;62.86,-43.33,;64.19,-44.1,;65.53,-43.33,;66.86,-44.1,;66.86,-45.64,;68.19,-46.41,;69.53,-45.64,;70.87,-46.41,;72.2,-45.64,;72.19,-44.1,;73.51,-43.33,;74.86,-44.1,;76.19,-43.32,;77.53,-44.1,;78.86,-43.34,;78.86,-41.81,;77.53,-41.04,;80.2,-41.04,;81.54,-41.82,;81.53,-43.36,;80.19,-44.12,;80.18,-45.66,;77.52,-45.65,;78.85,-46.43,;76.18,-46.41,;76.17,-47.95,;74.83,-48.72,;73.51,-47.93,;72.17,-48.69,;72.17,-50.24,;73.51,-51.01,;74.84,-50.25,;74.85,-45.64,;73.53,-46.41,;69.53,-44.09,;68.19,-43.33,)|
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(O)cc4)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CCO)c3n2)cc1
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1
CCN(CC)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN(CCO)c1nc(Nc2cn(cn2)-c2ccccc2)c2ccsc2n1
CCN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(OC)cc12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCNC(=O)c1nc(cnc1N)-c1ccc(CN(C)C)cc1
CCOC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
CCOc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCOc1ccc(cc1OCC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
CCOc1ccc(cc1OCC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
CCOc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1
CCS(=O)(=O)Nc1cc(OC)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
CC[C@@H](C)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
CC[C@@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](O)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CCc1c(cncc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1
CCc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
CCc1n[nH]cc1-c1ccc2nc[nH]c(=O)c2c1
CCc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(N3CCNCC3)c(F)c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)-c2cnn(c2)C2CCNCC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CC3CCC(C2)N3C)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(CC2)c2ccc(F)cc2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C2CC3CCC(C2)N3)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)C2CCNCC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CC3CCC(C2)N3)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCC(C)(N)CC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCC(N)(CC)CC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCCCC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC(C)(C)O)CC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC3CC3)CC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCOC)CC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)S(=O)(=O)N(C)C2CCN(CC2)C(C)C)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(nc2)N2CC3CCC(C2)N3)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CCN(CCO)Cc3c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CCNCCc3c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CCNCc3c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(C)CCc3c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(CCOC)CCc3c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(CCc3c2)C(=O)CO)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CN(CCc3c2)C(C)=O)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc3CNCCc3c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
CCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2cccc(OC3CCNCC3)c2)n1
CCn1cc(c(n1)-c1cncc(F)c1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
CCn1cc(cn1)-c1ccc(Nc2nccc(n2)-c2cn(CC)nc2-c2cccnc2)cc1
CCn1nc(C)c2c(nc(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc12)N1CCC[C@H]1CO
CN(C)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
CN(C)CCOC1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN(C)CCOc1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCC(O)CC1 |(5.33,.77,;5.33,-.77,;6.66,-1.54,;4,-1.54,;2.66,-.77,;1.34,-1.53,;-0,-.77,;-0,.77,;1.33,1.54,;2.66,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-4,3.08,;-5.33,3.85,;-4,1.54,;-2.66,.78,;-5.33,.77,;-6.66,1.54,;-5.33,-.77,;-4,-1.54,;-2.66,-.77,;-1.33,-1.54,;-1.33,-3.08,;0,-3.85,;-2.66,-3.85,;-4,-3.08,)|
CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCC1O
CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC1CCCCC1
CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NCC(O)C(F)(F)F
CN(C)Cc1ccc(cc1)-c1cnc(N)c(n1)C(=O)NC[C@@](C)(O)C(F)(F)F |r|
CN(C)Cc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
CN(C)c1ccc(cc1)-n1cnc2ccc(cc2c1=O)-c1ccnc2ccccc12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CC2(C1)CCN(CC2)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CC2(C1)CN(C2)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CCC(CC1)Oc1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12
CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12
CN1CCC(CC1)Oc1ccc(nc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN1CCCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CCN(CC(F)(F)C1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CCN(CC1)C1CCN(CC1)c1cc(OC2CCOCC2)c2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CCN(CC1)C1CCN(CC1)c1cc(OC2CCOCC2)c2c(cnn2c1)-c1cn[nH]c1
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1c[nH]c(=O)c2ccccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cc(F)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(cccc12)C(F)(F)F
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2cc(F)ccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2cc(ccc12)C(F)(F)F
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccc(F)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(N)nc2ccccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C#N
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C(F)(F)F
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(nc2ccccc12)C(F)F
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccc(C(N)=O)c2ccccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc(c1)P(C)(C)=O
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc(c1)S(C)(=O)=O
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc2[nH]ncc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cccc2c(cccc12)C(N)=O
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc(N)c1
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc(c1)N1CCOCC1
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2[nH]ccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2c(C)cccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2c(F)cccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(C)[nH]c12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(C)c(C)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(C)sc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(Cl)ccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(C)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(Cl)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(N)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(O)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)ccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(OC(F)(F)F)ccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(ccc12)C#N
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc(ccc12)C(F)(F)F
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc3OCOc3cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cc[nH]c12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)c(F)c12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(Cl)c(F)c12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(Cl)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(F)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(OC(F)(F)F)cc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(cc12)C#N
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccc(cc12)C(F)(F)F
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cccnc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2ccsc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2cn[nH]c12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2n(C)ccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccnc2sccc12
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1ccncc1
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cn[nH]c1
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cnn(C)c1
CN1CCN(CC1)C1CCN(CC1)c1cnc2c(cnn2c1)-c1cnn2ccccc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)cc2ccc(F)cc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)c(F)ccc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cc(F)cc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2c(F)cccc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2cc(F)ccc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1cccc2c(cccc12)C(N)=O
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccnc2cc(F)c(C)cc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccnc2ccc(C)cc12
CN1CCN(CC1)C1CN(C1)c1cnc2c(cnn2c1)-c1ccncc1
CN1CCN(CC1)c1cc(F)ccc1Nc1nccc(Nc2cnnc3c(C)cccc23)n1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)cn2ncnc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2c(F)cc(F)cc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2cc(F)ccc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(cc12)C(F)(F)F
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1cccc2ncsc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccc(F)cc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccccc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccnc2ccsc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2cncnc12
CN1CCN(CC1)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1csc2nccnc12
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(CC1)c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12
CN1CCN(CC1)c1nc(Nc2cn(C)cn2)c2cccn2n1
CN1CCN(CC1)c1nc(Nc2cn(cn2)-c2ccccc2)c2cccn2n1
CN1CCN(CCOc2ccc(cn2)-c2cnc3c(cnn3c2)-c2cccc3ncccc23)CC1
CN1CCN(CCOc2ccc(cn2)-c2cnc3c(cnn3c2)-c2ccnc3ccccc23)CC1
CN1CCN(CCOc2ccc(nc2)-c2cnc3c(cnn3c2)-c2cccc3ncccc23)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CCc2c(cnc(N)c2C1=O)-c1cnn(c1)C1CCNCC1
CNC(=O)[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cc(OC)c(OC)c(OC)c2)c2occc2n1
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C1CC1
CNC(=O)c1cc(ccn1)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
CNC(=O)c1ccc(cc1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 |$;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CNS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2[C@@H](C)CNC[C@H]2C)c2ccccc12 |r|
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CNc1ncc(cc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)c(F)c3)c2n1 |r|
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN(C)CC3)c2n1 |r|
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
COC(=O)c1cc(Nc2cn(cn2)-c2cc(OC)c(OC)c(OC)c2)c2occc2c1
COC(=O)c1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COC(=O)c1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COC(=O)c1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
COC(=O)c1cnccc1Nc1cc(nc(NC(=O)OC(C)(C)C)c1C(C)=C)-c1cc(Cl)ccc1F
COC(C)(C)c1cnc(cc1Nc1ccncc1C(=O)NCC(C)O)-c1cc(Cl)ccc1F
COCC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(nc3)N3CCN[C@H](C)C3)c2n1 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCCn3nc2-c2cccnc2)cc1
COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3CCCn3nc2-c2cccnc2)cc1
COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccc2)cc1
COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccccn2)cc1
COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2ccncc2)cc1
COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(CCOC)nc2-c2cccnc2)cc1
COCCN1CCN(Cc2ccc3c(Nc4cn(cn4)-c4cc(OC)c(OC)c(OC)c4)nc(nn23)N2CCC[C@H]2CO)CC1
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)-n2cncn2)n1
COCCn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
COCc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1c(O)cc(cc1C(=O)NCC1CC1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1c(ccc(c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(C)=O
COc1c(csc1-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1)C(N)=O
COc1c(csc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(C)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(Cl)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(Cl)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1cc(F)c(CC(=O)N2CCN(CC2)c2nc(Nc3cn(C)cn3)c3cccn3n2)c(F)c1
COc1cc(F)c(CC(=O)N2CCN(CC2)c2nc(Nc3cn(cn3)-c3ccccc3)c3cccn3n2)c(F)c1
COc1cc(F)c(CC(=O)N2CCN(CC2)c2nc(Nc3cn(cn3)-c3ccccc3)c3ccsc3n2)c(F)c1
COc1cc(F)c2nccc(-c3cnn4cc(cnc34)N3CC(C3)N3CCN(C)CC3)c2c1
COc1cc(F)c2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1
COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(=O)(=O)C(C)C)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
COc1cc(NS(C)(=O)=O)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(O)c2c(CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
COc1cc(OC)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(OC)cc(c1)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
COc1cc(OC)cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(OC)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(OC)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12
COc1cc(cc(C#N)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(C(=O)NC2CCCC2)c1O)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(C(C)=O)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(C(N)=O)c1O)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(C(N)=O)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccn3n2)c1
COc1cc(cc(C(N)=O)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(Cl)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r|
COc1cc(cc(F)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(C)C)c1C
COc1cc(cc(OC)c1C(N)=O)-c1cncc(-c2ccc(cc2)N2C[C@H](C)N(C)[C@H](C)C2)c1C |r|
COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(cc(OC)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
COc1cc(cc(OC)c1F)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cc(cnc1Cl)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N(C)C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(O)cc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(c1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cc(cnc1OC)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1ccc(Nc2nc(N3CCC[C@H]3CO)c3ccccc3n2)nc1
COc1cc(cc(OC)c1OC)-c1ccc(Nc2nc(nc3ccccc23)N2CCC[C@H]2C(N)=O)nc1
COc1cc(cc(OC)c1OC)-c1ccc(Nc2nc(nc3ccccc23)N2CCC[C@H]2CO)nc1
COc1cc(cc(OC)c1OC)-c1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)s1
COc1cc(cc(OC)c1OC)-c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCN(CC2)C(=O)N(C)C)c1C
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C#N
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C(F)(F)F
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C1CC1
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1OC
COc1cc(cc(OC)c1OC)-c1cncc(c1)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(CN2CCN(C)CC2)cc1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCN(C)CC2)cc1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(OC2CCNCC2)cc1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCN(C)CC1 |t:28|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1=CCNCC1 |t:28|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCN(C)CC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)C1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)=O
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CCF)CC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCOCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCS(=O)(=O)CC1
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1 |r|
COc1cc(cc(OC)c1OC)-c1cncc(c1Cl)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1F)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cncc(c1N)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)-c1cnn2cc(cnc12)N1CC(C1)N1CCN(C)CC1
COc1cc(cc(OC)c1OC)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc(cc(OC)c1OC)-c1nnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)o1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(N3CCC[C@H]3CO)c3ccccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(=O)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(=O)N2CCC[C@@H](N)C2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(=O)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc(cc3ccoc23)C(O)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc3ccccc3c(n2)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc3ccccc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2cc3ccccc3cn2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2ccc3ccc(Nc4cn(cn4)-c4cc(OC)c(OC)c(OC)c4)cc3c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2ccc3ccccc3c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2ccc3ccccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(C(=O)N3CCCC3)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC(F)(F)C[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC4(CC4)C[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3cccnc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3n(ccc3n2)S(=O)(=O)c2ccc(C)cc2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3ncsc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCC3)c3sccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCCCC3)c3ccc(CN4CCCC4)cc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3C(N)=O)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3c(C)nn(C4CCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3cc[nH]c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ccc(OC(C)C)cc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ccccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ccsc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3ncsc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3occc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@@H]3CO)c3sccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(C)(C)O)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(F)(F)F)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3[nH]ccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cc[nH]c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccc(OC(C)C)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ccccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3cccnc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ccn(c3n2)S(=O)(=O)c2ccc(C)cc2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ccsc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3n(ccc3n2)S(=O)(=O)c2ccc(C)cc2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3ncsc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3occc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3C(N)=O)c3sccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)n[nH]c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C(C)C)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CC(F)(F)C4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCCCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCCCO4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCOC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(C4CCOCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(CC4CC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn(CC4CCCCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@@H]4CC[C@H](O)CC4)c3n2)c1 |wU:35.37,32.33,wD:24.26,(-8.74,-2.58,;-7.21,-2.75,;-6.3,-1.5,;-4.77,-1.66,;-3.86,-.41,;-4.49,.99,;-6.02,1.15,;-6.65,2.56,;-8.18,2.72,;-6.93,-.09,;-8.46,.07,;-9.36,-1.18,;-2.33,-.58,;-1.56,-1.91,;-.06,-1.59,;.11,-.06,;1.44,.71,;2.77,-.06,;2.77,-1.6,;4.11,-2.37,;4.11,-3.91,;2.86,-4.81,;3.34,-6.28,;4.88,-6.28,;5.35,-4.81,;6.82,-4.34,;7.91,-5.43,;5.44,-1.6,;6.9,-2.07,;7.38,-3.54,;7.81,-.83,;6.9,.42,;7.38,1.88,;8.89,2.2,;9.36,3.67,;8.33,4.81,;8.81,6.28,;6.83,4.49,;6.35,3.03,;5.44,-.06,;4.11,.71,;-1.3,.57,)|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@@H]4C[C@H](N)C4)c3n2)c1 |wU:34.36,32.33,wD:24.26,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;9.06,3.01,;8.36,4.38,;8.83,5.85,;6.99,3.68,;5.75,.37,;4.41,1.14,;-1,1,)|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@@H]4C[C@H](O)C4)c3n2)c1 |wU:34.36,32.33,wD:24.26,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;9.06,3.01,;8.36,4.38,;8.83,5.85,;6.99,3.68,;5.75,.37,;4.41,1.14,;-1,1,)|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@H]4CC[C@H](N)CC4)c3n2)c1 |wU:32.33,wD:35.37,24.26,(-8.74,-2.58,;-7.21,-2.75,;-6.3,-1.5,;-4.77,-1.66,;-3.86,-.41,;-4.49,.99,;-6.02,1.15,;-6.65,2.56,;-8.18,2.72,;-6.93,-.09,;-8.46,.07,;-9.36,-1.18,;-2.33,-.58,;-1.56,-1.91,;-.06,-1.59,;.11,-.06,;1.44,.71,;2.77,-.06,;2.77,-1.6,;4.11,-2.37,;4.11,-3.91,;2.86,-4.81,;3.34,-6.28,;4.88,-6.28,;5.35,-4.81,;6.82,-4.34,;7.91,-5.43,;5.44,-1.6,;6.9,-2.07,;7.38,-3.54,;7.81,-.83,;6.9,.42,;7.38,1.88,;6.35,3.03,;6.83,4.49,;8.33,4.81,;8.81,6.28,;9.36,3.67,;8.89,2.2,;5.44,-.06,;4.11,.71,;-1.3,.57,)|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@H]4C[C@H](N)C4)c3n2)c1 |wU:32.33,wD:34.36,24.26,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;6.99,3.68,;8.36,4.38,;8.83,5.85,;9.06,3.01,;5.75,.37,;4.41,1.14,;-1,1,)|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3c(C)nn([C@H]4C[C@H](O)C4)c3n2)c1 |wU:34.36,wD:24.26,32.33,(-8.43,-2.16,;-6.9,-2.32,;-5.99,-1.07,;-4.46,-1.23,;-3.56,.01,;-4.18,1.42,;-5.72,1.58,;-6.34,2.99,;-7.87,3.15,;-6.62,.34,;-8.15,.5,;-9.06,-.75,;-2.03,-.15,;-1.26,-1.48,;.25,-1.16,;.41,.37,;1.74,1.14,;3.08,.37,;3.08,-1.17,;4.41,-1.94,;4.41,-3.48,;3.17,-4.38,;3.64,-5.85,;5.18,-5.85,;5.66,-4.38,;7.12,-3.91,;8.21,-5,;5.75,-1.17,;7.21,-1.64,;7.69,-3.11,;8.12,-.4,;7.21,.85,;7.69,2.31,;9.06,3.01,;8.36,4.38,;8.83,5.85,;6.99,3.68,;5.75,.37,;4.41,1.14,;-1,1,)|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cc[nH]c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(C(=O)N4CCCCC4)n3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(C)cc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(F)cc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(OC(C)C)cc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(F)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(N)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(NC(C)=O)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)-c2cccc(NS(C)(=O)=O)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)C#N)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)C(F)(F)F)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccc(cc3n2)C2=CCNCC2)c1 |t:38|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccc(CN4CCCCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccc(OC(C)C)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)n1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccnc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccn(C(C)C)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccn(c3n2)S(=O)(=O)c2ccc(C)cc2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccncc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ccsc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cnn(C)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cnn(C4CCC4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cnn(C4CCCCO4)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3n(C)cnc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3n(C)ncc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3n(ccc3n2)S(=O)(=O)c2ccc(C)cc2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ncccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ncn(C)c3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3ncsc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3occc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3sccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@@H](CO)C3)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@@H](O)C3)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@H](CO)C3)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3CC[C@H](O)C3)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3C[C@@H]4C[C@@H]4[C@@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3C[C@@H]4C[C@@H]4[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3C[C@H](O)C[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(N3[C@@H]4C[C@@H]4C[C@H]3CO)c3cccn3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3C(=O)N(Cc23)C(C)C)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3C(=O)N(Cc23)C(C)C)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCCc23)N2[C@@H]3C[C@@H]3C[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCN(Cc4ccccc4)Cc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCN(Cc4ccccc4)Cc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CCOCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCC(N)=O)CCc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCC(N)=O)CCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCc23)C(=O)OC(C)(C)C)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCc23)C(=O)OC(C)(C)C)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(CCc23)C(=O)OC(C)(C)C)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(Cc23)C(=O)OC(C)(C)C)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(Cc4ccccc4)CCc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CN(Cc4ccccc4)CCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCCc23)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCCc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3CNCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3COCc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]cc(C#N)c23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]cc(C#N)c23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ccc23)N2CCC[C@H]2CO)c1 |r|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]nc(C)c23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]nc(C)c23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3[nH]ncc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3c(OC(C)C)cccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3c(OC(C)C)cccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(Br)ccc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(Br)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(C)ccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(C)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(CN4CCCC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(CN4CCCCC4)oc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(F)ccc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(F)ccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(F)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(OC(C)C)ccc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(OC(C)C)ccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(OC(C)C)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C#N)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C#N)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C#N)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C(F)(F)F)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)C2CCCN2CO)C2CCCN2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCCCC2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCN(C)CC2)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCN(C)CC2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc(ccc23)N2CCNCC2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc[nH]c23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cc[nH]c23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccc(F)c23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccc(F)c23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccnc23)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccnc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cccnc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccn(c23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccn(c23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N(C)C2CCN(C)CC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC(F)(F)C2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2C(=O)NC2CC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2C(=O)NCC2CC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CCN(C)CC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@@H](C2)N(C)C)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@@H](CO)C2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@@H](O)C2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@H](C2)N(C)C)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2CC[C@H](O)C2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccoc23)N2[C@H](CO)CCC2=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ccsc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnn(C)c23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3cnn(C)c23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)cnc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)cnc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)nc(C)c23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)nc(C)c23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)ncc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(C)ncc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(CC4CCCCC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(CC4CCCCC4)ncc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ccc23)S(=O)(=O)c2ccc(C)cc2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(nc(C)c23)C2CCCCO2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(nc(C)c23)C2CCCCO2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ncc23)C2CCCCO2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3n(ncc23)[C@@H]2CC[C@H](O)CC2)N2CCC[C@H]2CO)c1 |wU:29.32,37.42,26.28,(-7.4,-6.66,;-5.87,-6.82,;-4.97,-5.58,;-3.43,-5.74,;-2.53,-4.49,;-3.16,-3.08,;-4.69,-2.92,;-5.31,-1.52,;-6.85,-1.35,;-5.59,-4.17,;-7.12,-4.01,;-8.03,-5.25,;-1,-4.65,;-.23,-5.98,;1.28,-5.66,;1.44,-4.13,;2.77,-3.36,;2.77,-1.82,;1.44,-1.05,;1.44,.49,;2.77,1.26,;4.11,.49,;5.57,.96,;6.48,-.28,;5.57,-1.53,;4.11,-1.05,;6.05,2.43,;7.55,2.75,;8.03,4.21,;7,5.36,;7.47,6.82,;5.49,5.04,;5.02,3.57,;.11,1.26,;-1.3,.63,;-2.33,1.77,;-1.56,3.11,;-.06,2.79,;1.09,3.82,;2.55,3.34,;.03,-3.51,)|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncccc23)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3ncn(C)c23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCC(O)CC4)cc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCC(O)CC4)cc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCC4)cc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCC4)cc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCCC4)cc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCCCC4)cc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(C)CC4)cc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(C)CC4)cc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(CC4)c4ccccn4)cc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCN(CC4)c4ccccn4)cc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCOCC4)cc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CN4CCOCC4)cc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CO)cc23)-c2cccc(C=O)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(CO)cc23)-c2cccc(CO)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sc(cc23)C(=O)OCC(C)C)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)-c2cccc(c2)C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)-c2ccccc2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3sccc23)N2CCN(CCO)CC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nc3scnc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(Br)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCCCC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCC[C@H]4C(N)=O)ccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCN(C)CC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCN(CC4)C(=O)OC(C)(C)C)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCN(CC4)C4CC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCNCC4)ccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCNCC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CN4CCOCC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CNC(C)C)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CNCC4CC4)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(CO)ccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C(=O)N2CCCCC2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C(=O)N2CCCCC2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C(C)O)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C2=CCN(CC2)C(=O)OC(C)(C)C)N2CCC[C@H]2CO)c1 |t:29|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3c(ccc23)C2=CCNCC2)N2CCC[C@H]2CO)c1 |t:29|
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2cccc(C=O)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2cccc(CO)c2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2cccc(c2)C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2ccccc2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)-c2ccccc2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCN(C)CC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCCCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCCc3c(n2)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCc3c(n2)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCCc3c(n2)N2[C@@H]3C[C@@H]3C[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)C2CC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)OC(C)(C)C)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)[C@@H]2CCC(=O)N2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)c2ccc(cc2)C#N)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc4ccccc4)Cc3c(n2)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc4ccccc4)Cc3c(n2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCN(Cc4ccccc4)Cc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCNCc3c(n2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCNCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCOCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CCS(=O)(=O)Cc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(CC(N)=O)CCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(CCc3c(n2)N2CCC[C@H]2CO)C(=O)OC(C)(C)C)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc3c(n2)N2CCC[C@@H]2CO)C(=O)OC(C)(C)C)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc3c(n2)N2CCC[C@H]2CO)C(=O)OC(C)(C)C)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccc(cc4)C#N)CCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccc(cc4)C(F)(F)F)CCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4cccc(OC(F)(F)F)c4)CCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4cccc(c4)C#N)CCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccccc4)CCc3c(n2)N2CCCC2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccccc4)CCc3c(n2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4ccccc4)CCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CN(Cc4cccnc4)CCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCCc3c(n2)N2CCC[C@H]2C(N)=O)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCc3c(n2)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3CNCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3COCc3c(n2)N2CCC[C@@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2nc3COCc3c(n2)N2CCC[C@H]2CO)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncc3CCN(Cc4ccccc4)Cc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncc3CN(Cc4ccccc4)CCc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncc3ccccc3n2)c1
COc1cc(cc(OC)c1OC)-n1cnc(Nc2ncnn3cccc23)c1
COc1cc(cc(c1)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1)C(N)=O
COc1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(=O)N(C)C
COc1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(=O)N1CCC[C@H]1CO
COc1cc(cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1)C(N)=O
COc1cc(ccc1C#N)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(ccc1C(=O)N(C)C)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C
COc1cc(ccc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(ccc1C)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(ccc1Cl)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cc(ccc1Cl)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1O)-c1cnc(N)c(c1)-c1cc(OC)c(OC)c(OC)c1
COc1cc(ccn1)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc(sc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(cc(=O)[nH]c2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(cc[n+]([O-])c2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1C)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1Cl)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1c(N)nn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1 |(7.93,-3.29,;7.93,-4.83,;6.59,-5.6,;5.26,-4.83,;3.93,-5.6,;2.59,-4.83,;1.26,-5.6,;1.26,-7.14,;2.59,-7.91,;3.93,-7.14,;5.26,-7.91,;6.59,-7.14,;7.93,-7.91,;2.59,-3.29,;3.84,-2.39,;5.3,-2.86,;3.36,-.92,;1.82,-.92,;.79,.22,;-.71,-.1,;-1.19,-1.56,;-.16,-2.71,;1.35,-2.39,;-1.74,1.05,;-1.27,2.51,;-2.3,3.65,;-3.81,3.33,;-4.28,1.87,;-3.25,.73,;-4.84,4.48,;-4.36,5.94,;-5.39,7.09,;-6.9,6.77,;-7.93,7.91,;-7.37,5.3,;-6.34,4.16,)|
COc1cc2c(ccnc2cc1F)-c1cnc2cc(ccn12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnc2cc(cnn12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cc(OC3CCOCC3)c12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(ccc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCOCC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)OCCN(C)C
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)c1ccncc1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(CC#N)(C1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC2(CC(N)C2)C1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C(C)C1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C(F)C1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C)(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(C1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)C(C)(C)N
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N(C)C
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N(C)CCN(C)C
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC2CCC(C1)N2
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC2CCC(C1)N2C
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCC(C)(N)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCC(C1)N(C)C
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)C(=O)C1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)C(C)C1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC(F)(F)C1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1=O
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1C
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCOCC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCS(=O)(=O)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC[N+](C)(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1CC[N+](C)([O-])CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1C[C@@H]2C[C@H]1CN2C |r|
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1C[C@H]2C[C@@H]1CN2 |r|
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)N1C[C@H]2C[C@@H]1CN2C |r|
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(CC1)OCCN(C)C
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC(N)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC2(CCN(C)CC2)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCC2(CN(C)C2)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(C)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC(C)(C)O)CC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)C1CN(C)C1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)C1CNC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)c1ccnc(C)n1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)c1ccncc1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCN(CC1)c1nnc(C)s1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCNCC1=O
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CCOCC1
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1C[C@@H]2CN(C)C[C@@H]2C1 |r|
COc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1C[C@@H]2CNC[C@@H]2C1 |r|
COc1cc2c(ccnc2cc1O)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2nc(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc(N3CCC[C@H]3CO)c2cc1OC
COc1cc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2cc1OC
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(Nc2nccc(n2)-c2c3COCCn3nc2-c2cccnc2)cc1
COc1ccc(Nc2nccc(n2)-c2c[nH]nc2-c2cccnc2)cc1
COc1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1ccc(cc1)-c1ccc2c(Nc3cn(cn3)-c3cc(OC)c(OC)c(OC)c3)nc(nn12)N1CCC[C@H]1CO
COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cn[nH]c1
COc1ccc(cc1)-c1csc2c(Nc3cn(cn3)-c3ccccc3)nc(nc12)N1CCC[C@H]1CO
COc1ccc(cc1)-c1nc(Nc2cn(cn2)-c2cc(OC)c(OC)c(OC)c2)c2cccn2n1
COc1ccc(cc1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1ccc(cc1C(F)(F)F)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1ccc(cc1C(F)(F)F)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1ccc(cc1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1ccc(cc1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1ccc(cc1OC)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1ccc(cc1OC)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1[C@@H](C)CNC[C@H]1C |r|
COc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCN(C)CC1
COc1ccc2ncc(F)c(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1 |(9.03,.14,;9.51,-1.32,;8.48,-2.47,;8.95,-3.93,;7.92,-5.08,;6.42,-4.76,;5.39,-5.9,;3.88,-5.58,;3.4,-4.12,;1.9,-3.79,;4.44,-2.97,;3.96,-1.51,;4.86,-.26,;3.96,.99,;2.49,.51,;1.16,1.28,;-.17,.51,;-.17,-1.03,;1.16,-1.8,;2.49,-1.03,;-1.51,1.28,;-2.84,.51,;-4.17,1.28,;-4.17,2.82,;-2.84,3.59,;-1.51,2.82,;-5.51,3.59,;-6.84,2.82,;-8.17,3.59,;-8.17,5.13,;-9.51,5.9,;-6.84,5.9,;-5.51,5.13,;5.94,-3.29,;6.97,-2.15,)|
COc1ccc2nccc(-c3cnn4cc(cnc34)N3CC(C3)N3CCN(C)CC3)c2c1
COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCCN(C)CC3)c2c1
COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1
COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2c1F
COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCN(C)CC3)c2n1
COc1ccc2nccc(-c3cnn4cc(cnc34)N3CCC(CC3)N3CCOCC3)c2c1
COc1cccc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
COc1cccc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
COc1cnc(cc1Nc1ccncc1C(=O)NC[C@H](C)O)-c1cc(Cl)ccc1F |r|
COc1cncc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
COc1cncc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)c1cccc(c1)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
CS(=O)(=O)c1cccc(c1)-c1cnn2cc(cnc12)N1CCNCC1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)(O)CC1 |r,wU:1.0,(8.79,2.71,;7.33,3.19,;6.85,4.65,;5.31,4.65,;4.84,3.19,;6.08,2.28,;6.08,.74,;4.75,-.03,;3.42,.74,;2.08,-.03,;2.08,-1.57,;3.42,-2.34,;4.75,-1.57,;.75,-2.34,;.75,-3.88,;-.58,-4.65,;-1.92,-3.88,;-3.25,-4.65,;-1.92,-2.34,;-3.25,-1.57,;-4.59,-2.34,;-3.25,-.03,;-1.92,.74,;-.58,-.03,;-.58,-1.57,;-4.59,.74,;-5.92,-.03,;-7.25,.74,;-7.25,2.28,;-8.02,3.62,;-8.79,2.28,;-5.92,3.05,;-4.59,2.28,)|
C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;3.31,.74,;1.98,-.03,;1.98,-1.57,;3.31,-2.34,;4.65,-1.57,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(O)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;3.31,.74,;1.98,-.03,;1.98,-1.57,;3.31,-2.34,;4.65,-1.57,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1 |r|
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,27.30,1.0,wD:27.31,(4.77,-2.71,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;4.81,-.74,;3.48,.03,;3.48,1.57,;4.81,2.34,;6.15,1.57,;7.48,2.34,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)(O)CC1 |r,wU:1.0,(8.78,2.71,;7.32,3.19,;6.84,4.65,;5.3,4.65,;4.83,3.19,;6.07,2.28,;6.07,.74,;4.74,-.03,;4.74,-1.57,;3.4,-2.34,;2.07,-1.57,;2.07,-.03,;3.4,.74,;3.4,2.28,;.74,-2.34,;.74,-3.88,;-.6,-4.65,;-1.93,-3.88,;-3.26,-4.65,;-1.93,-2.34,;-3.26,-1.57,;-4.6,-2.34,;-3.26,-.03,;-1.93,.74,;-.6,-.03,;-.6,-1.57,;-4.6,.74,;-5.93,-.03,;-7.27,.74,;-7.27,2.28,;-7.79,3.73,;-8.78,2.01,;-5.93,3.05,;-4.6,2.28,)|
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(C)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(O)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1 |r|
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(Cc12)C1CCCCC1 |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccc(F)cc12 |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2ccc(nc12)N1CCCCC1 |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(cc12)N1CCCCC1 |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1CCCCC1 |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1CCCCC1C |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CCC[C@H]1C |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CN(C[C@H]1C)C(=O)N(C)C |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CN(C[C@H]1C)C(=O)N1CCCC1 |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)CNC[C@H]1C |r|
C[C@@H]1CN(CCN1)c1ccc(cn1)-c1n[nH]c2cnc(nc12)N1[C@@H](C)COC[C@H]1C |r|
C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCCC2)cc1)C(F)(F)F |r|
C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCNCC2)cc1)C(F)(F)F |r|
C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCOCC2)cc1)C(F)(F)F |r|
C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCS(=O)(=O)CC2)cc1)C(F)(F)F |r|
C[C@H](CO)NC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccccc2n1)c1ccccc1
C[C@H](Nc1nc(Nc2cn(cn2)-c2ccccc2)c2ccccc2n1)c1ccccc1
C[C@H](Nc1nc(Nc2cn(cn2)-c2ccccc2)c2sccc2n1)c1ccccc1
C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1c[nH]nc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc(N)c1C(C)=C)-c1cc(Cl)ccc1F
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1Br)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C(C)C)-c1ccccc1
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1C1CC1)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(ncc1N(C)C)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)=C)-c1cc(Cl)ccc1F |r|
C[C@H](O)CNC(=O)c1cncnc1Nc1cc(ncc1C(C)C)-c1cc(Cl)ccc1F |r|
C[C@H]1CN(C[C@@H](C)O1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cc(C)nc2ccccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cc(C)nc2ccccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(NS(C)(=O)=O)c2ccccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(C)c1)S(N)(=O)=O |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c(N)c1)S(N)(=O)=O |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(=O)(=O)N(C)C |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(C)(=O)=O |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(cc1)S(N)(=O)=O |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc(c1)S(N)(=O)=O |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2[nH]c(=O)ccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2c(cccc12)S(N)(=O)=O |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2nc(C)ccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 |r|
C[C@H]1CNC[C@@H](C)N1c1ccc(cn1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 |r|
C[C@]1(O)CC[C@@H](CC1)NC(=O)c1nc(cnc1N)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:5.8,wD:1.1,(-2.45,-2.72,;-4,-2.72,;-3.23,-4.06,;-4,-1.18,;-5.33,-.41,;-6.66,-1.18,;-6.66,-2.72,;-5.33,-3.49,;-8,-.41,;-8,1.13,;-9.33,1.9,;-6.66,1.9,;-5.33,1.13,;-4,1.9,;-4,3.44,;-5.33,4.21,;-6.66,3.44,;-8,4.21,;-2.67,1.13,;-2.67,-.41,;-1.33,-1.18,;-0,-.41,;1.33,-1.18,;2.66,-.41,;4,-1.18,;5.33,-.41,;5.33,1.13,;4,1.9,;2.66,1.13,;6.66,1.9,;8,1.13,;9.33,1.9,;9.33,3.44,;8,4.21,;6.66,3.44,;-0,1.13,;-1.33,1.9,;-1.33,3.44,)|
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cc1c(ccc2nc(Cc3ccccc3)[nH]c(=O)c12)-c1ccnc2ccccc12
Cc1c(ccc2nc[nH]c(=O)c12)-c1cccc2ncccc12
Cc1c(ccc2nc[nH]c(=O)c12)-c1ccnc2ccccc12
Cc1c(cncc1-c1ccc(C(N)=O)c(F)c1)-c1ccc(cc1)N1CCNCC1
Cc1c(cncc1-c1ccc(cc1)C(N)=O)-c1ccc(cc1)N1CCNCC1
Cc1c(cncc1-c1ccc2C(=O)NCc2c1)-c1ccc(cc1)N1CCNCC1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)cc(F)c2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2cc(F)ccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2CNCCN2)c2ccccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)cc(F)c2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2cc(F)ccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)C2COCCN2)c2ccccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)cc(F)c2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2cc(F)ccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(nc2)N2CC3(C2)CC(F)(F)C3)c2ccccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2ccc(nc2)N2CCN(CC2)C2CC2)c2ccccc2n1
Cc1cc(-c2cnc3cc(ccn23)-c2cnc(N3CCC4(CCCN4)C3)c(C)c2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CC(C2)N2CCOCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CC(C2)c2ccncc2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CC3(CC(N)C3)C2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCC(CC2)N2CCOCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCC(N)CC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC(C)(C)O)CC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)C2(C)CCNCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCNCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCOCC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCN(CC2)c2ccncc2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCN(CCN3CCOCC3)CC2)c2ccccc2n1
Cc1cc(-c2cnn3cc(cnc23)N2CCOCC2)c2ccccc2n1
Cc1cc(Cl)cc(c1)-c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)|
Cc1cc(OC(F)(F)F)cc(c1)-n1cnc(Nc2nc(N3CCC[C@H]3CO)c3cccn3n2)c1
Cc1cc(OC(F)(F)F)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
Cc1cc(ccn1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
Cc1cc2c(Nc3cn(cn3)-c3ccccc3)nc(nc2s1)N1CCC[C@H]1CO
Cc1cc2c(ccnc2cc1F)-c1cnn2cc(cnc12)N1CC(C1)N1CCOCC1
Cc1cc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12
Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Cc1cc2nc(nc(Nc3cn(cn3)-c3ccc(F)cc3)c2s1)N1CCC[C@H]1CO
Cc1cc2nc(nc(Nc3cn(cn3)-c3ccccc3)c2s1)N1CCC[C@H]1CO
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(cc1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OC(C)(C)CN2CCCCC2)cn1
Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OC2CCNCC2)cn1
Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cn1
Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCNCC2)cn1
Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cn1
Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(O[C@@H]2CCNC2)cn1 |r|
Cc1ccc2c(cccc2n1)-c1cnn2cc(cnc12)-c1ccc(O[C@H]2CCNC2)cn1 |r|
Cc1ccc2nccc(-c3cnn4cc(cnc34)N3CC(C3)c3ccncc3)c2c1
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Cc1cccc(n1)-n1nccc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ccnn2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2n1
Cc1cccc(n1)-n1nccc1-c1ccc2ncsc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2nnc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccn2ccnc2c1
Cc1cccc(n1)-n1nccc1-c1ccn2ncc(C(N)=O)c2c1
Cc1cccc(n1)-n1nccc1-c1ccn2ncnc2c1
Cc1cccc(n1)-n1nccc1-c1cnc2ccnn2c1
Cc1cccc(n1)-n1nccc1-c1cnn2ccnc2c1
Cc1cccc2c(Nc3ccnc(Nc4ccc(F)cc4N4CCNCC4)n3)cnnc12
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1csc2c(Nc3cn(cn3)-c3ccccc3)nc(nc12)N1CCC[C@H]1CO
Cc1n[nH]c(C)c1-c1ccc2nc[nH]c(=O)c2c1
Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1n[nH]cc1-c1ccc2nc[nH]c(=O)c2c1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc2ccc(c(C)c2c(=O)[nH]1)-c1ccnc2ccccc12
Cc1nc2ccc(cc2c(=O)[nH]1)-c1cccc2ncccc12
Cc1nc2ccc(cc2c(=O)[nH]1)-c1ccnc2ccccc12
Clc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Clc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Clc1cc(ccc1OCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Clc1cc(ccc1OCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2nc(Nc3ccc(cc3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(13.36,-27.74,;13.37,-26.2,;12.04,-25.43,;10.72,-26.2,;9.39,-25.43,;8.06,-26.2,;6.72,-25.43,;5.39,-26.2,;4.05,-25.43,;4.06,-23.89,;5.38,-23.12,;6.72,-23.88,;2.72,-23.12,;1.39,-23.89,;1.94,-21.78,;3.49,-21.78,;9.38,-23.89,;10.7,-23.12,;12.05,-23.89,;13.38,-23.11,;14.72,-23.9,;16.05,-23.13,;16.05,-21.6,;14.72,-20.83,;17.38,-20.83,;18.72,-21.61,;18.71,-23.15,;17.38,-23.91,;17.37,-25.45,;14.71,-25.44,;16.04,-26.22,)|
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(31.78,-28.56,;31.78,-27.03,;30.46,-26.25,;29.13,-27.02,;27.81,-26.25,;26.47,-27.02,;25.14,-26.26,;23.8,-27.03,;22.47,-26.26,;22.47,-24.71,;23.8,-23.94,;25.13,-24.71,;23.79,-22.4,;25.13,-21.63,;22.3,-21.99,;23.39,-20.9,;27.79,-24.72,;29.12,-23.94,;30.46,-24.71,;31.8,-23.94,;33.13,-24.72,;34.47,-23.96,;34.47,-22.42,;33.14,-21.65,;35.8,-21.65,;37.14,-22.43,;37.13,-23.97,;35.79,-24.73,;35.78,-26.27,;33.13,-26.26,;34.45,-27.04,)|
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccc(O)cc2)c1=O
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccccc2Cl)c1=O
Cn1cc(-c2cnn3cc(cnc23)N2CCC(CC2)N2CCOCC2)c2ccccc2c1=O
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(cn1)-c1ccc2nc[nH]c(=O)c2c1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1cc(cn1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
Cn1ccc(c1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
Cn1ccc(n1)-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
Cn1cnc(Nc2nc(Cl)nc3ccoc23)c1
Cn1cnc(Nc2nc(Cl)nn3cccc23)c1
Cn1cnc(Nc2nc(nc3ccoc23)N2CCCC2c2ccccc2)c1
Cn1cnc(Nc2nc(nc3ccoc23)N2CCCC2c2ccccn2)c1
Cn1cnc(Nc2nc(nc3ccoc23)N2CCCC2c2cccnc2)c1
Cn1cnc(Nc2nc(nc3ccoc23)N2CCC[C@@H]2CO)c1
Cn1cnc(Nc2nc(nc3ccoc23)N2CCC[C@H]2CO)c1
Cn1cnc(Nc2nc(nc3ccsc23)N2CCCC2c2ccccn2)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccc2)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2cccnc2)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccncc2)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@@H]2CO)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccc2)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2c2ccccn2)c1
Cn1cnc(Nc2nc(nn3cccc23)N2CCN(CC2)C(=O)Cc2ccccc2)c1
Cn1cnc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1 |r|
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1cnc2ccc(cc2c1=O)-c1cccc2ncccc12
Cn1cnc2ccc(cc2c1=O)-c1ccnc2ccccc12
Cn1nccc1-c1cnc(N)c2C(=O)N(CCc12)C1CCCCC1
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
FC(F)Cn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
FC(F)Cn1cc(c(n1)-c1cccnc1)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1
Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
Fc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3[nH]ccc23)c(cn1)C1CC1
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
N#CC1CC(C1)n1cnc(Nc2nc(nn3cccc23)N2CCCC2c2ccccn2)c1 |(7.12,4.13,;5.59,4.29,;4.05,4.45,;2.86,3.48,;1.89,4.68,;3.09,5.64,;.36,4.84,;-.41,6.17,;-1.92,5.85,;-2.08,4.32,;-3.41,3.55,;-3.41,2.01,;-2.08,1.24,;-2.08,-.3,;-3.41,-1.07,;-4.75,-.3,;-6.21,-.78,;-7.12,.47,;-6.21,1.71,;-4.75,1.24,;-.75,-1.07,;.66,-.45,;1.69,-1.59,;.92,-2.92,;-.59,-2.6,;-1.73,-3.63,;-1.41,-5.14,;-2.55,-6.17,;-4.02,-5.69,;-4.34,-4.19,;-3.19,-3.16,;-.67,3.69,)|
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12
N#Cc1cc(ccc1N1CCNCC1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
N#Cc1cccc(Cn2cc(c(n2)-c2cccnc2)-c2ccnc(Nc3ccc(cc3)N3CCNCC3)n2)c1
NC(=O)[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2ccsc2n1
NC(=O)[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCOc3c2)c2ccsc2n1
NC(=O)c1ccc(-c2cnn3cc(cnc23)N2CCC(CC2)N2CCOCC2)c2ccccc12
NC(=O)c1ccc(-c2cnn3cc(cnc23)N2CCN(CC2)C2CCNCC2)c2ccccc12
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NC(=O)c1ccc(cc1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
NC(=O)c1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
NC(=O)c1cccc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
NC(=O)c1cccc2c(cccc12)-c1cnn2cc(cnc12)N1CCC(CC1)N1CCOCC1
NC(=O)c1cccc2c(cccc12)-c1cnn2cc(cnc12)N1CCN(CC1)C1CCNCC1
NC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
NC1(CCC1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccc(c2ccccc12)S(N)(=O)=O
NCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
NCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(CN3CCCC3)cc2)c2ccccc12
NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCC3)cc2)c2ccccc12
NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)cc2)c2ccccc12
NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(OCCN3CCCCC3)nc2)c2ccccc12
NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(cc2)C2CCNCC2)c2ccccc12
NS(=O)(=O)c1ccc(-c2cnn3cc(cnc23)-c2ccc(nc2)N2CCNCC2)c2ccccc12
Nc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Nc1n[nH]c2ccccc12
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Nc1ncc(-c2cnn(CC3CCCNC3)c2)c2CCN(C3CCCCC3)C(=O)c12
Nc1ncc(-c2cnn(CC3CCNCC3)c2)c2CCN(C3CCCCC3)C(=O)c12
Nc1ncc(-c2cnn(c2)C2CCCC2)c2CCN(C3CCCCC3)C(=O)c12
Nc1ncc(-c2cnn(c2)C2CCCNC2)c2CCN(C3CCCCC3)C(=O)c12
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3C4CC5CC(C4)CC3C5)C(=O)c12 |TLB:29:28:26:22.23.24,THB:24:23:20:27.25.26,24:25:20:22.29.23,19:20:26:22.23.24,29:23:20.28.27:26,(-1.87,-4.78,;-.53,-4.01,;.8,-4.77,;2.13,-4,;2.13,-2.46,;3.46,-1.69,;4.92,-2.15,;5.84,-.9,;4.96,.32,;3.46,-.15,;5.36,1.8,;6.85,2.2,;7.25,3.69,;6.16,4.78,;4.67,4.38,;4.27,2.89,;.8,-1.69,;.8,-.15,;-.53,.62,;-1.87,-.15,;-3.2,.62,;-4.87,1.23,;-4.93,2.67,;-5.81,3.84,;-7.25,3.25,;-7.24,1.71,;-6.26,.64,;-5.67,1.23,;-4.19,1.86,;-4.21,3.4,;-1.87,-1.69,;-3.2,-2.46,;-.53,-2.46,)|
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCC3)C(=O)c12
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12
Nc1ncc(-c2cnn(c2)C2COC2)c2CCN(C3CCCCC3)C(=O)c12
Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1
Nc1ncc(cc1-c1cccc2ncccc12)-c1ccc(cc1)N1CCNCC1
Nc1ncc(cc1-c1ccnc2ccccc12)-c1ccc(cc1)N1CCNCC1
Nc1ncc(cc1-c1ccnc2ccccc12)-c1cccc(c1)N1CCNCC1
Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,wD:13.14,(-7.88,3.85,;-6.55,3.08,;-5.21,3.85,;-3.89,3.08,;-3.89,1.54,;-5.21,.78,;-6.55,1.54,;-7.88,.77,;-9.22,1.54,;-7.88,-.77,;-6.55,-1.54,;-5.21,-.77,;-3.88,-1.54,;-3.88,-3.08,;-2.55,-3.85,;-5.21,-3.85,;-6.55,-3.08,;-2.55,.77,;-2.55,-.77,;-1.21,-1.53,;.11,-.77,;1.44,-1.54,;2.78,-.77,;4.11,-1.54,;5.45,-.77,;5.45,.77,;4.11,1.54,;2.78,.77,;6.78,1.54,;8.19,.92,;9.22,2.06,;8.45,3.39,;6.94,3.07,;.11,.77,;-1.22,1.54,)|
Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1 |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,)|
Nc1ncc(nc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl |r,wU:10.10,wD:13.14,(-8,3.85,;-6.66,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-5.33,.77,;-6.66,1.54,;-8,.77,;-9.33,1.54,;-8,-.77,;-6.66,-1.54,;-5.33,-.77,;-4,-1.54,;-4,-3.08,;-2.66,-3.85,;-5.33,-3.85,;-6.66,-3.08,;-2.67,.77,;-2.67,-.77,;-1.33,-1.53,;-0,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;5.33,-.77,;5.33,.77,;4,1.54,;2.66,.77,;6.66,1.54,;6.66,3.08,;8,3.85,;9.33,3.08,;9.33,1.54,;8,.77,;-0,.77,;-1.33,1.54,;-1.33,3.08,)|
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
O=c1[nH]cnc2ccc(cc12)-c1c[nH]nc1C1CC1
O=c1[nH]cnc2ccc(cc12)-c1cccc2ncccc12
O=c1[nH]cnc2ccc(cc12)-c1ccnc2ccccc12
O=c1[nH]cnc2ccc(cc12)-c1cn[nH]c1
O=c1[nH]cnc2ccc(cc12)-c1cnn2ccccc12
O=c1n(CCCN2CCOCC2)cnc2ccc(cc12)-c1ccnc2ccccc12
O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1
O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccccc1
O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)C1CCCCC1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OC(=O)c1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
OCC(CO)NC(=O)c1cnccc1Nc1cc(ncc1N1CCCC1)-c1cc(Cl)ccc1F
OCCNCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC[C@@H]1CCCN1C(=O)c1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)s1
OC[C@@H]1CCCN1c1cc(Cl)c2ccccc2n1
OC[C@@H]1CCCN1c1cc(F)cc(c1)-n1cnc(Nc2nc(nn3cccc23)N2CCC[C@H]2CO)c1
OC[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)-c2ccccc2)nc2ccoc12
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cc(O)cc(c2)C#N)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cc[nH]n2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(CO)cc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(Cl)cc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)c(F)c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)cc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)cc2)c2ccsc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(F)cc2)c2sccc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(O)cc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(OC(F)(F)F)c(Br)c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(OC(F)(F)F)c(Cl)c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(OC(F)(F)F)cc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc(cc2)C#N)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3COC(=O)c3c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2ccsc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OC(F)(F)Oc3c2)c2occc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCCOc3c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCOc3c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3OCOc3c2)c2ccsc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3[nH]ccc3c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccc3cc[nH]c3c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(CO)c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(F)c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(O)c2O)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(OC(F)(F)F)c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(OC(F)(F)F)c2)nn2cccc12
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc(c2)C#N)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc3OCOc23)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccc3ncccc23)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2cc(CO)sc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2ccccc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2ccsc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2occc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2sc(CO)cc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2scc(Br)c2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)c2sccc2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2)nn2cccc12
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccc2F)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccccn2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cccnc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccnc3c(F)cccc23)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccnc3ccccc23)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccnc3ccsc23)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2ccncc2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CCC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CCCC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cn(cn2)C2CCCCC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)-c2cnc3ccccc3c2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CC(C2)C#N)c2cccn2n1 |wU:2.1,(-3.19,-4.43,;-1.73,-4.9,;-.59,-3.87,;.92,-4.19,;1.69,-2.86,;.66,-1.71,;-.75,-2.34,;-2.08,-1.57,;-2.08,-.03,;-3.41,.74,;-3.41,2.28,;-2.08,3.05,;-.67,2.42,;.36,3.57,;-.41,4.9,;-1.92,4.58,;1.89,3.41,;2.86,2.21,;4.05,3.18,;3.09,4.38,;5.59,3.02,;7.12,2.86,;-4.75,-.03,;-6.21,.45,;-7.12,-.8,;-6.21,-2.05,;-4.75,-1.57,;-3.41,-2.34,)|
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CCC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CCCC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)C2CCCCC2)c2cccn2n1
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2CC[C@H](CO)CC2)c2cccn2n1 |wU:16.17,2.1,wD:19.21,(-3.33,-4.43,;-1.87,-4.9,;-.72,-3.87,;.79,-4.19,;1.56,-2.86,;.52,-1.71,;-.88,-2.34,;-2.22,-1.57,;-2.22,-.03,;-3.55,.74,;-3.55,2.28,;-2.22,3.05,;-.81,2.42,;.22,3.57,;-.55,4.9,;-2.05,4.58,;1.75,3.41,;2.66,4.65,;4.19,4.49,;4.82,3.09,;6.35,2.92,;7.25,4.17,;3.91,1.84,;2.38,2,;-4.88,-.03,;-6.35,.45,;-7.25,-.8,;-6.35,-2.05,;-4.88,-1.57,;-3.55,-2.34,)|
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2CC[C@H](O)CC2)c2cccn2n1 |wU:19.21,2.1,wD:16.17,(-2.88,-4.43,;-1.41,-4.9,;-.27,-3.87,;1.24,-4.19,;2.01,-2.86,;.98,-1.71,;-.43,-2.34,;-1.76,-1.57,;-1.76,-.03,;-3.1,.74,;-3.1,2.28,;-1.76,3.05,;-.36,2.42,;.67,3.57,;-.1,4.9,;-1.6,4.58,;2.21,3.41,;2.83,2,;4.36,1.84,;5.27,3.09,;6.8,2.92,;4.64,4.49,;3.11,4.65,;-4.43,-.03,;-5.9,.45,;-6.8,-.8,;-5.9,-2.05,;-4.43,-1.57,;-3.1,-2.34,)|
OC[C@@H]1CCCN1c1nc(Nc2cn(cn2)[C@H]2C[C@H](O)C2)c2cccn2n1 |wU:18.20,2.1,wD:16.17,(-2.43,-4.43,;-.96,-4.9,;.18,-3.87,;1.69,-4.19,;2.46,-2.86,;1.43,-1.71,;.02,-2.34,;-1.31,-1.57,;-1.31,-.03,;-2.65,.74,;-2.65,2.28,;-1.31,3.05,;.09,2.42,;1.12,3.57,;.35,4.9,;-1.15,4.58,;2.65,3.41,;3.62,2.21,;4.82,3.18,;6.35,3.02,;3.85,4.38,;-3.98,-.03,;-5.45,.45,;-6.35,-.8,;-5.45,-2.05,;-3.98,-1.57,;-2.65,-2.34,)|
OC[C@@H]1CCCN1c1nc(Nc2nc3ccccc3o2)c2sccc2n1
OC[C@@H]1CCCN1c1nc(Nc2nccs2)c2cccn2n1
OCc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
OCc1cccc2c(ccnc12)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Oc1cc(-c2cnn3cc(cnc23)-c2ccc(cc2)N2CCNCC2)c2ccccc2n1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1ccc2c(ccnc2c1)-c1cnn2cc(cnc12)-c1ccc(cc1)N1CCNCC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|