1285 SMILES Strings for Insulin receptor
Compound Name
SMILES String
Brc1cc2OCOc2cc1\C=C1\SC(=O)NC1=O
Brc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Brc1ccc(cc1)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:11.11|
Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:8.20|
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Brc1ccc2[nH]c-3c(CCN(CC(c4ccccc4)c4ccccc4)c4nccc(I)c-34)c2c1
Brc1cccc(c1)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:11.11|
Brc1ccccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
C1CN(CCO1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1
CC(=O)C=Cc1c(Oc2c(C)cc(cc2C)C(C)=O)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2c(Cl)cccc2Cl)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2cc(ccc2Cl)C(F)(F)F)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccc(C(C)=O)c(F)c2)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccc(C)cc2)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccc(C)cc2C(C)=O)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccc(F)cc2)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccc(O)cc2)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccc(cc2)C#N)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2cccc(c2)C#N)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2cccc(c2)C(C)=O)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccccc2C(C)=O)nc[nH]c1=O |w:4.4|
CC(=O)C=Cc1c(Oc2ccccc2Cl)nc[nH]c1=O |w:4.4|
CC(=O)N(CCN(C(C)=O)c1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O)c1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|
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)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(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,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.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)NC[C@H]1CC[C@@H](CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(30.4,-52.78,;31.44,-51.63,;32.94,-51.96,;30.97,-50.17,;32,-49.03,;31.53,-47.56,;32.56,-46.41,;32.09,-44.94,;30.58,-44.63,;29.54,-45.77,;30.01,-47.24,;30.1,-43.16,;31.01,-41.9,;30.1,-40.65,;30.58,-39.19,;29.67,-37.94,;30.58,-36.7,;30.27,-35.2,;31.41,-34.17,;32.87,-34.65,;33.19,-36.15,;32.04,-37.18,;32.04,-38.72,;28.62,-41.13,;27.29,-40.37,;27.29,-38.83,;25.96,-41.14,;25.96,-42.68,;27.29,-43.45,;28.63,-42.68,)|
CC(=O)Nc1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1 |w:16.16|
CC(=O)Oc1ccc(CNc2ccc3OCOc3c2)cc1OC(C)=O
CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
CC(C)(C)C(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1
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)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
CC(C)(Nc1nc(NO)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1
CC(C)(Nc1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1)c1ccccc1
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCC(O)C3)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCCCC3)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCCCC3CO)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CN3CCOCC3)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CNC3CCCCC3)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CNCc3ccccc3)ccc12
CC(C)(O)Cn1c(NC(=O)c2ccc(s2)-c2cn[nH]c2)nc2cc(CNc3ccccc3)ccc12
CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)C(=O)C1=O |(5.39,-12.8,;3.74,-12.6,;3.36,-14.14,;2.66,-11.5,;2.67,-9.96,;3.99,-9.21,;3.29,-7.84,;4.11,-6.54,;5.65,-6.61,;6.37,-7.96,;7.86,-8.35,;7.97,-9.89,;6.54,-10.48,;5.53,-9.28,;9.05,-7.37,;10.38,-8.12,;10.37,-9.66,;11.71,-7.37,;13.04,-8.14,;11.71,-5.83,;14.18,-4.18,;14.07,-2.64,;15.49,-2.07,;16.47,-3.25,;18.01,-3.3,;18.74,-4.65,;17.93,-5.97,;16.39,-5.91,;15.65,-4.55,;12.76,-1.83,;11.85,-.63,;12.26,-2.96,;13.9,-.78,;13.94,.76,;10.38,-5.04,;10.37,-3.51,;9.05,-5.83,;7.72,-5.06,)|
CC(C)C(=O)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
CC(C)CNCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)NCC(O)=O |r|
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CC(C)N(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)|
CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)nc2[nH]ccc12
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]nnc2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(N)n[nH]c2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc(C)[nH]c2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccccc2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
CC(C)Oc1cc(C2CCN(CC(F)F)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CC(O)=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CC2)C(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CC2)C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CCC(=O)NCCOCCNC(=O)C=C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCNC(=O)C2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1NC1=NC2NCCCC2C(Nc2ccccc2S(=O)(=O)C(C)C)=N1 |c:43,t:20|
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc(C)[nH]c2n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cccnc2n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C2CCC2)n1
CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
CC(C)Oc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
CC(C)Oc1nc(ncc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C)c(cc2OC2CCC2)C2CCNCC2)ncc1Cl
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1
CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CC(Oc1cccc2n(C)cc(\C=C3/C(=O)NN=C3c3nccs3)c12)c1ccccc1 |c:17|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
CC1(C)CC[C@@H](COc2cccc(c2)-c2cn([C@@H]3C[C@H](CN4CCC4)C3)c3ncnc(N)c23)O1 |r,wU:5.5,wD:17.17,19.20,(-1.8,11.77,;-1.51,10.57,;-2.39,9.7,;-.3,11.52,;.98,10.66,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;-.98,9.12,)|
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1
CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1
CC1COCC(C)N1Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CCC(C)COc1ccccc1\C=C1\SC(=O)NC1=O
CCC(C)NCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
CCCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
CCCCCCC[n+]1c(\C=C\c2ccc(N(C)C)c3ccccc23)sc2ccccc12
CCCCCCC[n+]1c(\C=C\c2ccc(cc2)-n2cccc2)sc2ccccc12
CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2cc(OC)ccc12
CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2ccccc12
CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(CC)CC)sc2ccccc12
CCCCCCC[n+]1c(\C=C\c2ccc(cc2)N(CCCC)CCCC)sc2ccccc12
CCCCCCOC(=O)c1ccccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:23.24|
CCCCNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
CCCC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2ccccc12
CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
CCCNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1
CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CCN(CC)C(=O)c1[nH]c(C=O)c(C(=O)N(CC)CC)c1C
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
CCN(CC)CCCC(C)Nc1nc(\C=C\c2c(Cl)cc(Cl)cc2Cl)nc2ccc(N)cc12
CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CCN(CC)CCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
CCN(CC)CCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
CCN(Cc1ccccc1)c1nc(Nc2ccc3ncsc3c2)[nH]c(=O)n1
CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3CCN(CCOC)CCc3cc2OC)ncc1Cl)S(C)(=O)=O |r|
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1
CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
CCN1CCCOc2cc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)ccc12
CCN1CCCOc2ccc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)cc12
CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1
CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 |r|
CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)N(C)C)n3)cc2CC1 |r|
CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(C)=O)n3)cc2CC1 |r|
CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1 |r|
CCN1c2cc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)ccc2C(C)(C)CCC1=O
CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21|
CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O
CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O
CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O
CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19|
CCN1c2ccc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)cc2C(C)(C)CCC1=O
CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)c2CCCC1=O
CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O
CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O
CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O
CCNC(=O)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(11.21,-14.15,;9.87,-13.38,;8.54,-14.16,;7.19,-13.39,;5.86,-14.17,;7.19,-11.85,;5.86,-11.09,;4.53,-11.86,;3.18,-11.09,;1.85,-11.88,;.52,-11.11,;-.82,-11.88,;.52,-9.57,;1.85,-8.78,;3.18,-9.55,;4.51,-8.78,;5.84,-9.54,;7.17,-8.76,;7.16,-7.23,;5.82,-6.47,;8.48,-6.45,;9.83,-7.22,;9.83,-8.76,;8.5,-9.53,;8.52,-11.07,)|
CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
CCNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
CCOC(=O)C=Cc1c(Oc2c(Cl)cccc2Cl)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2c(OC)cccc2OC)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2ccc(C)cc2)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2ccc(Cl)cc2OC)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2ccc(F)cc2)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2ccc(OC)cc2C(=O)OC)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2cccc(OC)c2)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2cccc(c2)C#N)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2cccc(c2)C(=O)OC)nc[nH]c1=O |w:6.6|
CCOC(=O)C=Cc1c(Oc2ccccc2Cl)nc[nH]c1=O |w:6.6|
CCOC(=O)N1CCCOc2cc(Nc3ncc(Cl)c(Nc4c(F)cccc4C(=O)NC)n3)ccc12
CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C
CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC
CCOC(=O)c1[nH]c(CO)c(C(=O)OCC)c1C
CCOC(=O)c1c(CC)c(C(=O)OC(C)(C)C)n(C)c1C=O
CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)NC(C)(C)C
CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)OC(C)(C)C
CCOC(=O)c1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1 |w:17.17|
CCOC(=O)c1ccccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:19.20|
CCO\N=C(/C)c1ccc2n(C(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
CCOc1cc(Br)cc(\C=C2/SC(=O)NC2=O)c1O
CCOc1cc(\C=C2\SC(=O)NC2=O)cc(Br)c1O
CCOc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r|
CCOc1cc2OCOc2cc1\C=C1/SC(=O)NC1=O
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(Nc2ncc3CC(=O)Nc4cc(OC)ccc4-c3n2)cc1
CCOc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
CCOc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1
CCOc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1
CCOc1ccc(\C=C2\SC(=O)NC2=O)cc1OC
CCOc1cccc(\C=C2\SC(=O)NC2=O)c1O
CCOc1cccc2n(C)cc(C=c3c(=O)[nH][nH]\c3=c3/snnc3=C)c12 |w:12.11|
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl
CCS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4cnc[nH]4)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC |r|
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)CNC3=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)NC1=O |r|
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSCSC[C@H]2NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
CC[n+]1c(\C=C\c2ccc(cc2)N(C)C)sc2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
CCc1ccc(C=C2SC(O)=NC2=O)cc1 |w:6.5,c:10|
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,13.14,wD:31.35,(3.45,-11.77,;3.48,-13.31,;4.83,-14.05,;4.86,-15.59,;6.21,-16.33,;7.53,-15.52,;7.49,-13.98,;6.14,-13.26,;6.11,-11.72,;7.42,-10.91,;8.77,-11.65,;7.38,-9.37,;6.03,-8.64,;6,-7.1,;4.65,-6.36,;7.32,-6.29,;8.67,-7.04,;9.98,-6.23,;11.33,-6.98,;11.37,-8.52,;10.06,-9.31,;8.7,-8.58,;12.65,-6.17,;14,-6.92,;15.31,-6.11,;15.27,-4.57,;13.92,-3.84,;12.61,-4.63,;16.59,-3.78,;16.55,-2.23,;17.87,-1.43,;19.22,-2.18,;20.53,-1.37,;21.88,-2.1,;23.19,-1.3,;21.92,-3.64,;19.26,-3.72,;17.94,-4.51,)|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C)cc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C(C)=O)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(Br)c3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(C)c3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)C#N)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccnc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccco3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccncc3)nc2c1
CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
CN(C(=O)N(C)c1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O)c1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O
CN(C(=O)c1cc(c[nH]c1=O)-c1ccc2OCOc2c1)c1ccc(CN2CCN(C)CC2)cc1
CN(C(=O)c1ccccc1)c1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C#N)c(C)c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=C)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=CC#N)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(N)c4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(N)n4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(c4)[N+]([O-])=O)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccccc4N)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccccn4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccnc4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccncc4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cn[nH]c4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cnccn4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ncc(N)cn4)s3)nc2c1 |w:28.28|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=O)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(OCc4ccccc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Oc4ccccc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(N)cc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(O)cc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(cc4)C(F)(F)F)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4cccc(c4)C(F)(F)F)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccccc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccccc4C(F)(F)F)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\n4ccnc4)s3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)-c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(nc3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(F)nc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(nc3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccccn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cccnc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(F)c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(c3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccncc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cncc(c3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnccn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cocn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3csc(N)n3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ncco3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3nccs3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(=O)c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=C)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=CC#N)nc2c1 |w:31.33|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=Cc3cccnc3)nc2c1 |w:31.33|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=Cc3ccncc3)nc2c1 |w:31.33|
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=O)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(\C)=C\c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCCCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCNCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCOCC3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc4ccccc4c3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)-c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc4ccccc34)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccoc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccsc3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cnco3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cncs3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cocn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cscn3)nc2c1
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ncco3)nc2c1
CN(C)C(=O)N1CCC(CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
CN(C)CCN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(C)O)c2c1 |t:18|
CN(C)CCN(C)S(=O)(=O)c1ccc2NC(=O)C(C3=Nc4ccccc4C3(O)CC=C)c2c1 |t:18|
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
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)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
CN(C)c1ccc(\C=C\C2=Nc3c(ccc(Cc4ccccc4)c3Cc3ccccc3)[S+]2C)c2ccccc12 |t:9|
CN(C)c1ccc(\C=C\c2nc3cc(Cl)ccc3s2)cc1
CN(C)c1ccc(\C=C\c2nc3ccc(cc3s2)N(C)C)cc1
CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1
CN(C)c1ccc(\C=C\c2sc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3cc(C)ccc3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3cc(C)ccc3[n+]2Cc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3cc(Cc4ccccc4)c(Cc4ccccc4)cc3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3cc(ccc3[n+]2C)[N+]([O-])=O)cc1
CN(C)c1ccc(\C=C\c2sc3ccc(C)cc3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3ccc(Cc4ccccc4)c(Cc4ccccc4)c3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3ccc(Cl)cc3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3ccc(F)cc3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3ccc(F)cc3[n+]2Cc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C2CC2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCC(c2ccccc2)c2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCC2CCCCC2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCCCOc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCCCc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCCOc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCOCc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2CCCc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2C\C=C\c2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccc(F)cc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccc(cc2)-c2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccc3ccccc3c2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2cccc(OC(=O)c3ccccc3)c2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2cccc(Oc3ccccc3)c2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccccc2)cc1
CN(C)c1ccc(\C=C\c2sc3ccccc3[n+]2Cc2ccccc2-c2ccccc2)cc1
CN(C)c1ccc(\N=N\c2nc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3s2)c2ccccc12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)\N=N\c1nc2ccc(Cl)cc2s1
CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2s1
CN(C)c1ccc(cc1)\N=N\c1sc2ccccc2[n+]1C
CN(C)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C1CCCCC1
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)c1ccccc1
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1)C1CCCCC1
CN(Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1)c1ccccc1
CN(Cc1cccnc1)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN(c1cccc(c1)S([O-])(=O)=O)S(=O)(=O)c1ccc2ccc(NC(=O)Nc3ccc4ccc(cc4c3)S(=O)(=O)N(C)c3cccc(c3)S([O-])(=O)=O)cc2c1
CN(c1ccccc1-c1cc(Cl)c2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12)S(C)(=O)=O
CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CN1CC(CNc2cc(ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)N2CCN(C)CC2)C1
CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
CN1CCC(CC1)Nc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
CN1CCC(CC1)Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1
CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|
CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(25.86,-27.54,;25.39,-26.08,;23.89,-25.75,;23.42,-24.29,;24.45,-23.15,;25.96,-23.46,;26.43,-24.93,;23.97,-21.68,;22.6,-20.98,;23.3,-19.61,;24.67,-20.31,;22.82,-18.15,;23.73,-16.9,;22.82,-15.66,;23.58,-14.32,;22.79,-13,;23.55,-11.66,;25.09,-11.64,;25.85,-10.31,;27.39,-10.3,;28.17,-11.63,;27.41,-12.97,;25.87,-12.98,;25.12,-14.3,;29.71,-11.62,;30.48,-12.95,;32.02,-12.95,;32.79,-11.61,;32,-10.27,;30.47,-10.29,;21.36,-16.13,;20.02,-15.37,;20.02,-13.83,;18.69,-16.14,;18.69,-17.68,;20.03,-18.45,;21.36,-17.68,)|
CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:9.12,7.7,(40.85,-28.31,;40.38,-26.84,;38.87,-26.51,;38.4,-25.05,;39.44,-23.91,;40.94,-24.23,;41.41,-25.7,;38.96,-22.44,;37.58,-21.74,;38.28,-20.37,;39.66,-21.07,;37.81,-18.92,;38.72,-17.67,;37.81,-16.42,;38.56,-15.08,;37.78,-13.76,;38.54,-12.42,;40.08,-12.4,;40.84,-11.07,;42.38,-11.06,;43.16,-12.39,;42.39,-13.73,;40.85,-13.74,;40.11,-15.07,;40.89,-16.39,;44.69,-12.38,;45.47,-13.72,;47.01,-13.71,;47.77,-12.37,;46.99,-11.04,;45.45,-11.05,;36.34,-16.9,;35.01,-16.13,;35,-14.59,;33.68,-16.9,;33.68,-18.45,;35.01,-19.22,;36.34,-18.44,)|
CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1
CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1
CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCCCC2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCF)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCO)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCc2ccccc2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@@H]2CC[C@H](O)CC2)c1 |r,wU:37.41,34.37,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;9.31,2.83,;10.81,3.16,;11.29,4.62,;12.49,4.88,;10.25,5.76,;8.75,5.44,;6.21,6.26,)|
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:34.37,wD:37.41,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;8.75,5.44,;10.25,5.76,;11.29,4.62,;12.49,4.88,;10.81,3.16,;9.31,2.83,;6.21,6.26,)|
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(Nc2ccccc2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4C)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4F)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4ccccc4)cc23)c(NC2CCOCC2)c1
CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4C(N)=O)n3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4NS(C)(=O)=O)n3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4S(C)(=O)=O)n3n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN1CCN(CC1)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1
CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1
CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(C)c(C)cc(C)c2C)CC1 |(.21,-11.63,;1.55,-10.86,;1.55,-9.32,;2.88,-8.56,;4.21,-9.33,;5.54,-8.56,;5.55,-7.02,;6.88,-6.25,;6.88,-4.71,;8.22,-3.94,;8.22,-2.4,;9.55,-1.62,;10.88,-2.39,;12.21,-1.62,;13.54,-2.38,;13.56,-3.93,;14.89,-4.69,;14.89,-6.23,;13.56,-7.01,;16.24,-7,;17.57,-6.21,;18.91,-6.98,;17.55,-4.67,;17.97,-7.71,;12.23,-4.7,;10.88,-3.93,;9.55,-4.71,;14.87,-1.59,;14.86,-.05,;13.52,.69,;16.18,.72,;16.17,2.26,;17.53,-.05,;17.53,-1.59,;18.88,-2.36,;16.2,-2.36,;16.22,-3.9,;4.21,-10.87,;2.88,-11.64,)|
CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)|
CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1
CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(N)=O)c4=O)-c3ccc4CCCc4c3)cc2)CC1
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
CN1CCN(Cc2cc(nn2C(C)(C)C)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)c(C)c2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4nccnc4c3)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4sc(C)nc4c3)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccncc3)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(cn(C)c3=O)-c3ccc4OCOc4c3)cc2)CC1
CN1CCN(Cc2ccc(NC(=O)c3cc(cnc3Cl)-c3ccc4OCOc4c3)cc2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ccc5c4)c3c2)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|
CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O |r|
CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4C(N)=O)n3)cc2CCCC1=O |r|
CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18|
CN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NCC#C)n3)cc2CCCC1=O
CN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(N)=O)n3)cc2CCCC1=O
CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
CNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:11|
CNC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)c(OC)c1
CNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)c1
CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CNC(=O)c1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
CNC(=O)c1cccc(C)c1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
CNC(=O)c1cccc(Cl)c1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
CNC(=O)c1cccc(Cl)c1Nc1nc(Nc2ccc3NC(=O)CCC(C)(C)c3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3CCCC(=O)N(CCOC)c3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3CCCC(=O)Nc3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)CN2CCCC2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)COC)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)OC(C)C)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)OC)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)OCCCN(C)C)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)OCCOC)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(C)=O)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCN4CCCC4)CCCOc3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3NC(=O)CCC(C)(C)c3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3NCCCOc3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3OCCCN(C(C)=O)c3c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(CC3(C)C)NC(=O)C(F)(F)F)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(CC3(C)C)NC(=O)CN(C)C)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(CC3(C)C)NC(=O)COC)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(CC3(C)C)NC(=O)N3CCCC3)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(CC3(C)C)NC(=O)OC)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(CC3(C)C)NC(C)=O)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)C(N)CC3(C)C)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)CCC3(C)C)c2)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@@H](CC3(C)C)NC(=O)C(F)(F)F)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@@H](CC3(C)C)NC(=O)COC)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@@H](CC3(C)C)NC(=O)N3CCCC3)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@@H](CC3(C)C)NC(=O)OC)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@H](CC3(C)C)NC(=O)C(F)(F)F)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@H](CC3(C)C)NC(=O)COC)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@H](CC3(C)C)NC(=O)N3CCCC3)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@H](CC3(C)C)NC(=O)OC)c2)ncc1Cl |r|
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(C(C)C)C(=O)CCC3(C)C)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(CC(C)C)C(=O)CCC3(C)C)ncc1Cl
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(CCOC)C(=O)CCC3(C)C)ncc1Cl
CNC(=O)c1cccc(Nc2nc(Nc3ccc4N(C)C(=O)CCCc4c3)ncc2Cl)c1
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3NC(=O)CCC(C)(C)c3c2)ncc1Cl
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1C
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
CNC(Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O)=Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O |w:28.31|
CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CNCC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
CNCCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
CNCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
CNCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
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
CNc1cc(Nc2ccc(cc2)-c2nc3ccccc3s2)ccn1
CNc1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CNc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc(OC)c(OC)cc2n1
CNc1nccc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
COC(=O)C=C(C)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:4.3|
COC(=O)C=Cc1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:5.5|
COC(=O)CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
COC(=O)CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)c1cc(Cl)ccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:19.20|
COC(=O)c1cc(OC)ccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:20.21|
COC(=O)c1ccc(OC)cc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:20.21|
COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C(=O)N(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2cccc(C)c2)c1
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2cccc(N)c2)c1
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2cccc(OC)c2)c1
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2ccccc2)c1
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2ccncc2)c1
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C2CC(C)=NN2C(C)=O)c1 |c:21|
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C2CC(C)=NN2C)c1 |c:21|
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C2CC(C)N=N2)c1 |c:22|
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)c1 |w:17.17|
COC(=O)c1cccc(Oc2nc[nH]c(=O)c2CCC(C)=O)c1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
COCC(COC)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
COCCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
COCCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1
COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
COCCN1CCN(CCn2ccc(Nc3ncc4-c5c(CC(C)c4n3)nn(C)c5-c3ccccc3)n2)CC1
COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1 |r|
COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1 |r|
COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
COCCN1CCc2ccc(Nc3ncc(Cl)c(NC4CCCCC4)n3)cc2CC1
COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 |r|
COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)CC(F)(F)F)n3)cc2CC1 |r|
COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1 |r|
COCCN1CCc2ccc(Nc3ncc4ccc(-c5ccccc5)n4n3)cc2CC1
COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
COCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
COC[C@@H](C)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 |r|
CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(CC(O)=O)CC3)ncc2c1=O
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|
CO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
COc1c(Br)cc(\C=C2/SC(=O)NC2=O)cc1Br
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1
COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
COc1cc(Br)cc(\C=C2/SC(=O)NC2=O)c1O
COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O
COc1cc(C)nc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c12
COc1cc(C=C2SC(O)=NC2=O)cc(OC)c1O |w:5.4,c:9|
COc1cc(CC#N)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(CCN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(CCN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(CCNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)[nH]n2)cc(OC)c1
COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(CN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(CN2CCN(C)CC2)ccc1NC(=O)c1cc(c[nH]c1=O)-c1ccc2OCOc2c1
COc1cc(CNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(C[N+](C)(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(Cl)ccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:17.18|
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
COc1cc(N2CC[C@H](C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 |r|
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
COc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1-c1nc2ccccc2s1
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
COc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC
COc1cc(Nc2nccc(Nc3cc(C)n[nH]3)n2)ccc1-c1nc2ccccc2s1
COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1
COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
COc1cc(Nc2ncnc3nc[nH]c23)ccc1-c1nc2ccccc2s1
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
COc1cc(OC2CCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
COc1cc(OCCCN2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1cc(Oc2nc[nH]c(=O)c2C=CC(C)=O)c(cc1OC)C(C)=O |w:13.13|
COc1cc(\C=C2/SC(=N)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
COc1cc(\C=C2\SC(=O)NC2=O)cc(I)c1O
COc1cc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc(OC)c1OC
COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)C#N
COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN(C)C
COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CNC=O
COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N
COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N(C)C
COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)NC=O
COc1cc(cc(OC)c1OC)-c1c[nH]c(=O)c(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(F)F)CCc3cc2OC)ncc1Cl)N1CCOCC1
COc1cc(ccc1Nc1ncc(C)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(C2CC2)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1 |r|
COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1)N1CCOCC1 |r|
COc1cc(ccc1Nc1ncc(Cl)c(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1 |r|
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C#N)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)N(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1)P(C)(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)P(C)(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2I)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(c1)C1CCNCC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)C1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(C1)N1CCCCC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CN2CCC2)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(O)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CCO)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CC[C@H](C1)N(C)C |r|
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)P(C)(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)P(C)(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)P(C)(C)=O
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc(OC)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@@H](C)O)CC1 |r|
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C(C)(C)N
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C1CCN1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r|
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r|
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
COc1cc(ccc1Nc1ncc2ccc(-c3ccncc3OC)n2n1)C1CCN(CC(N)=O)CC1
COc1cc(ccc1Nc1ncc2ccc(-c3ncccc3OC)n2n1)C1CCN(CC(N)=O)CC1
COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1 |r|
COc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
COc1cc2-c3c(C)[nH]nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2-c3c(C)n(nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
COc1cc2C3CN=C(N)N3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |t:7|
COc1cc2C3CNCC(=O)N3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2C3CNCCN3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2CC(=O)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2CCCNC(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2CCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccoc2C(N)=O)c2cc[nH]c2n1
COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1
COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2)N2CCOCC2)n1
COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
COc1cc2CCN(CCS(C)(=O)=O)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1
COc1cc2CCN3C(CNCC3=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2CCN3CCNCC3c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
COc1cc2N3CCN(C)N=C3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:10|
COc1cc2N3CCNN=C3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:9|
COc1cc2OCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
COc1cc2c(CCCNC2=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cc(ccc4F)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(cc4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(cc4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccco4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cccs4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccoc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccoc4)cc3F)ccnc2cc1OCCCN1CCOCC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCOCC1
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
COc1cc2c(cnc3ccccc23)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
COc1cc2c3ccccc3[nH]c(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2c3ccccc3n(OC)c(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
COc1cc2ncc(N[C@H]3CC[C@H](O)CC3)nc2cc1OC |wU:12.12,wD:9.8,(-.13,-6.56,;-.13,-5.02,;1.2,-4.25,;2.53,-5.02,;3.88,-4.23,;5.21,-5,;6.54,-4.23,;6.54,-2.69,;7.85,-1.9,;9.2,-2.67,;9.2,-4.21,;10.53,-4.98,;11.86,-4.21,;13.19,-4.98,;11.86,-2.67,;10.53,-1.9,;5.19,-1.92,;3.88,-2.69,;2.53,-1.92,;1.2,-2.71,;-.13,-1.94,;-.13,-.4,)|
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CC6CCC5C6)c(Cl)c4)nc3N)c2cc1OC |THB:20:23:26.27:29|
COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(CC5)C5CCCCC5)c(F)c4)nc3N)c2cc1OC
COc1cc2ncnc(-n3nc(Nc4ccc(OC5CCCN(C)C5)cc4)nc3N)c2cc1OC
COc1cc2ncnc(-n3nc(Nc4ccc(OCCN5CCCC5)c(Cl)c4)nc3N)c2cc1OC
COc1cc2ncnc(-n3nc(Nc4ccc(cc4)C4CCN(C)CC4)nc3N)c2cc1OC
COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CCN(C)CC4)nc3N)c2cc1OC
COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CC[C@@H](C4)N(C)C)nc3N)c2cc1OC
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OC
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC
COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
COc1ccc(-c2ccc3cnc(Nc4ccc(cc4OC)C4CCN(CC(N)=O)CC4)nn23)c(OC)c1
COc1ccc(CC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CC2(N)CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCN(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1
COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCN2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCN2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNC(=O)Cc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNC(=O)NC2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNC(=O)Nc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNC(=S)NCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNC(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNCC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNS(C)(=O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC
COc1ccc(CCNc2ncccn2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
COc1ccc(Cc2cn(Cc3ccc(O)cc3)c(NC3=NC(=O)N(C)C3=O)n2)cc1 |t:21|
COc1ccc(Cc2cn(Cc3ccc(OC)cc3)c(NC3=NC(=O)N(C)C3=O)n2)cc1 |t:22|
COc1ccc(Cc2nc(NC3=NC(=O)N(C)C3=O)n(C)c2Cc2ccc(O)cc2)cc1 |t:11|
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
COc1ccc(NC(=O)[C@H]2SCCNC2=O)cc1 |r|
COc1ccc(NC(C)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
COc1ccc(Nc2ncc3CC(=O)Nc4cc(OC)ccc4-c3n2)cc1
COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
COc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1O
COc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1
COc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1
COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
COc1ccc(\C=C\c2ccc(s2)C(=O)Nc2nc3cc(ccc3n2CCC(N)=O)N(C)C(=O)c2ccccc2)cc1
COc1ccc(\C=N\NC(=O)COc2cc(C)nc3n(nc(C)c23)-c2ccccc2)cc1
COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1
COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCC1
COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCCC1
COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCCCC2)CCCC1
COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCOCC2)CCCC1
COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
COc1ccc(cn1)-c1c[nH]c(=O)c(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
COc1ccc-2c(NC(=O)Cc3cc4c(nc-23)[nH]c(=O)[nH]c4=O)c1
COc1ccc-2c(NC(=O)Cc3cc4c(nc-23)n(C)c(=O)n(C)c4=O)c1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)c(Cl)c4)nc-23)c1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)cc4)nc-23)c1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(OC)c(O)c4)nc-23)c1
COc1ccc-2c(NC(=O)Cc3cnc(Nc4cccc(O)c4)nc-23)c1
COc1ccc-2c(NC(=O)Cc3cnc4cc(nn4c-23)-c2ccccc2)c1
COc1ccc-2c(NC(=O)Cc3cnc4ccnn4c-23)c1
COc1ccc-2c(NC(=O)Cc3cnc4ncnn4c-23)c1
COc1ccc2[n+](C)c(\C=C\c3ccc(N(C)C)c4ccccc34)sc2c1
COc1ccc2[n+](C)c(\C=C\c3ccc(cc3)N(C)C)sc2c1
COc1ccc2[n+](C)c(\N=N\c3ccc(cc3)N(C)C)sc2c1
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
COc1ccc2nc(Nc3cc(C)c(cc3OC(C)C)C3CCN(C)CC3)nc(Nc3ccccc3S(=O)(=O)C(C)C)c2c1
COc1ccc2nc(\N=N\c3ccc(N(C)C)c4ccccc34)sc2c1
COc1ccc2nc(\N=N\c3ccc(cc3)N(C)C)sc2c1
COc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1
COc1cccc(OC)c1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:18.19|
COc1cccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)c1 |w:15.15|
COc1cccc(\C=C\c2ccc(s2)C(=O)Nc2nc3cc(ccc3n2CCC(N)=O)N(C)C(=O)c2ccccc2)c1
COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1
COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1
COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nn12
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(CC3)N3CCN(C)CC3)nn12
COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
COc1ccccc1CNc1ncc(C(=O)NCCCN2CCCC2=O)c(NC2CCCC2)n1
COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl
COc1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl
COc1ccccc1Nc1nc(Nc2ccc(cc2OC)P(C)(C)=O)ncc1Cl
COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
COc1ccccc1\C=C\c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12
COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c12
COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1
COc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc[nH]c2n1
COc1ncc(cc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)-c1ccc2OCOc2c1
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)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
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,)|
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
C[C@@H](N(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
C[C@@H](NCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](Oc1cc(cnc1N)-c1ccn(n1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
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](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(26.46,-7.08,;25.39,-6.01,;24.98,-7.48,;26.09,-4.63,;24.71,-3.93,;24.01,-5.31,;24.24,-2.48,;25.15,-1.23,;24.24,.02,;24.99,1.36,;24.21,2.68,;24.97,4.02,;26.51,4.03,;27.27,5.37,;28.81,5.38,;29.59,4.04,;28.82,2.71,;27.29,2.7,;26.54,1.37,;31.12,4.05,;31.9,2.72,;33.44,2.73,;34.2,4.07,;33.42,5.4,;31.88,5.39,;22.77,-.46,;21.44,.31,;21.44,1.85,;20.11,-.46,;20.11,-2.01,;21.44,-2.78,;22.77,-2,)|
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)|
C[C@H](N(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
C[C@H](N1CCc2c([nH]c3ccc(Br)cc23)-c2c(Cl)nccc12)c1ccccc1 |r|
C[C@H](N1CCc2c([nH]c3ccc(Br)cc23)-c2c(I)ccnc12)c1ccccc1 |r|
C[C@H](NCc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1)C(C)(C)C |r|
C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r|
C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r|
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
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(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccnc2ccccc12
Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl
Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)|
Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1cc(CNc2ncc(Br)c(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Cc1cc(Cl)c2-c3[nH]c4ccccc4c3CCN(CCc3ccccc3)c2n1
Cc1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)ccn1
Cc1cc(Nc2cc(Nc3ccc(cc3)-c3nc4ccccc4s3)ccn2)[nH]n1
Cc1cc(Nc2ccnc(Nc3ccc(cc3)-c3nc4ccccc4s3)n2)[nH]n1
Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
Cc1cc(Nc2nc(NCC=C)ncc2Br)[nH]n1
Cc1cc(Nc2nc(NCCc3cccnc3)ncc2Br)[nH]n1
Cc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1
Cc1cc(Nc2nc(NCc3cc(no3)C(C)(C)C)ncc2Br)[nH]n1
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Cc1cc(O)ccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br |r|
Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2ccccc2Cl)cc[nH]c1=O)N1CCN(CCC#N)CC1 |r|
Cc1cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c2c(=O)[nH]1
Cc1cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c2c(Cl)n1
Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl
Cc1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)c(Br)c1 |w:9.8|
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Cc1ccc(NC(=O)c2cc(n[nH]2)C2CC2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Cc1ccc(NC(=O)c2cc(nn2C)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(Cl)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCC2CCCN2)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCC2COCCN2)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCCN)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCN)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCO)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCc2ccccn2)ncn1
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N[C@H]2CC[C@H](N)CC2)ncn1 |r,wU:34.37,wD:37.41,(1.36,6.17,;2.68,5.37,;4.02,6.11,;5.35,5.31,;5.31,3.77,;6.62,2.97,;7.98,3.7,;8.01,5.24,;9.29,2.9,;10.64,3.64,;11.95,2.84,;11.92,1.29,;10.56,.55,;9.25,1.36,;10.52,-.99,;9.17,-1.72,;11.83,-1.79,;10.51,-2.52,;3.96,3.03,;2.65,3.84,;1.3,3.1,;1.26,1.56,;2.49,.63,;1.98,-.83,;2.71,-2.16,;1.92,-3.47,;.38,-3.44,;-.36,-2.1,;.44,-.79,;-.01,.69,;-1.35,1.45,;-2.68,.67,;-4.02,1.44,;-5.35,.66,;-6.69,1.42,;-8.01,.65,;-9.35,1.42,;-9.36,2.96,;-10.69,3.73,;-8.02,3.73,;-6.69,2.97,;-4.03,2.99,;-2.7,3.77,;-1.35,3,)|
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(ncn1)N1CCOCC1
Cc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Br)c1
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Cl)c1
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(OC(F)F)c1
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(C)(C)C
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(N)=O
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc2cnccc12
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1ccccc1
Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(NCCC#N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(cc1Nc1nc2ccccc2n1-c1ncnc(N)c1C)C(=O)Nc1cccc(c1)C(F)(F)F |(22.57,6.55,;23.89,5.76,;25.23,6.5,;26.56,5.69,;26.52,4.15,;25.17,3.42,;23.86,4.22,;22.51,3.48,;22.47,1.95,;23.69,1.01,;23.19,-.44,;23.92,-1.78,;23.13,-3.09,;21.59,-3.06,;20.85,-1.71,;21.65,-.4,;21.2,1.07,;19.86,1.84,;19.86,3.38,;18.51,4.16,;17.18,3.37,;17.19,1.82,;15.86,1.05,;18.53,1.06,;18.53,-.48,;27.83,3.35,;27.8,1.81,;29.19,4.09,;30.5,3.29,;31.84,4.02,;33.16,3.23,;33.12,1.68,;31.77,.94,;30.46,1.74,;31.73,-.6,;30.38,-1.34,;33.05,-1.4,;31.72,-2.13,)|
Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)|
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ccc(CCN3CCOCC3)cn2)ncn1
Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1
Cc1cccc(c1)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1
Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)C(c2c[nH]c3ccccc23)C(=O)C1=O |(.75,-7.3,;1.22,-5.83,;.15,-4.69,;.61,-3.18,;2.15,-2.85,;3.2,-4,;4.72,-4,;5.21,-5.44,;3.97,-6.37,;2.74,-5.49,;6.05,-3.23,;6.05,-1.69,;4.72,-.92,;7.38,-.91,;7.38,.63,;8.71,-1.69,;10.04,-.92,;10.22,.65,;11.72,.96,;12.47,-.4,;13.96,-.72,;14.43,-2.18,;13.39,-3.32,;11.88,-2.99,;11.43,-1.52,;8.71,-3.23,;10.04,-4,;7.38,-3.99,;7.38,-5.53,)|
Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(OCCN3CCCC3)cc2)nc1N
Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1nc(-n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c2ccccc2n1
Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1ncc(o1)-c1ccc(s1)C(=O)Nc1nc2cc(CNC3CCCCC3)ccc2n1CC(C)(C)O
Cc1ncc(o1)-c1ccc(s1)C(=O)Nc1nc2cc(CNc3ccccc3)ccc2n1CC(C)(C)O
Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1
Cc1nn(-c2ccccc2)c2nc(C)cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)c12
Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Clc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Clc1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)c(Cl)c1 |w:9.8|
Clc1ccc(COc2cccc(\C=C3/SC(=O)NC3=O)c2)c(Cl)c1
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1
Clc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Clc1ccc(\C=C2/SC(=O)NC2=O)c(Cl)c1
Clc1ccc(\C=C2\SC(=O)NC2=O)cc1Cl
Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCCCC1 |c:10|
Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCOCC1 |c:10|
Clc1ccc(cc1Cl)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:12.12|
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Clc1cccc(-c2ccc(C=C3SC(=O)NC3=O)o2)c1Cl |w:10.9|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1ccccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
Clc1nccc2N(CC(c3ccccc3)c3ccccc3)CCc3c([nH]c4ccc(Br)cc34)-c12
Clc1nccc2N(CCc3c[nH]c4ccccc34)CCc3c([nH]c4ccc(Br)cc34)-c12
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Cn1c2nc-3c(CC(=O)Nc4ccccc-34)cc2c(=O)n(C)c1=O
Cn1c2nc-3c(CC(=O)Nc4cccnc-34)cc2c(=O)n(C)c1=O
Cn1c2nc-3c(CC(=O)Nc4ccncc-34)cc2c(=O)n(C)c1=O
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2C(=O)C(=O)C(C(=O)C2=O)c2ccccc2)c2ccccc12 |(5.37,-8.94,;5.35,-7.4,;6.59,-6.49,;6.1,-5.04,;7.43,-4.27,;8.76,-5.02,;8.76,-6.56,;10.09,-4.27,;11.42,-5.04,;10.09,-2.73,;8.76,-1.94,;8.76,-.4,;7.43,-2.73,;6.1,-1.96,;11.42,-1.96,;12.75,-2.74,;14.08,-1.97,;14.09,-.43,;12.75,.34,;11.42,-.43,;4.58,-5.04,;3.52,-3.88,;1.99,-4.23,;1.52,-5.72,;2.6,-6.87,;4.11,-6.53,)|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)ccc(Cl)c3F)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)ccc(F)c3Cl)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)cccc3Cl)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)cccc3F)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccc(F)cc3)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccc(F)cc3F)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3cccc(F)c3)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccccc3)cccc12 |w:4.3|
Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccccc3F)cccc12 |w:4.3|
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3c(F)cccc3Cl)cccc12 |c:9|
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3c(F)cccc3F)cccc12 |c:9|
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cccc(F)c3)cccc12 |c:9|
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cccc(F)c3F)cccc12 |c:9|
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccccc3)cccc12 |c:9|
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccccc3F)cccc12 |c:9|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1
Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
FC(F)(F)c1cc(NC(=O)Nc2ccc3Oc4ncnc(Cl)c4N=Cc3c2)ccc1Cl |c:24|
FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)C(=O)Nc4c3)c2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(CN5CCCCC5)cc4NC4CCOCC4)c3c2)c1
Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1
Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
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,)|
Fc1ccc(cc1)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:11.11|
Fc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:15|
Fc1ccc(cc1Cl)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:12.12|
Fc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
Fc1ccccc1\C=C1/SC(=O)NC1=O
Ic1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2ccsc12
N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9|
NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
NC(Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O)=Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccc(Cl)c(c1)C(O)=O |w:27.30|
NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4cccc(c4)S(N)(=O)=O)cc3c2)c1
Nc1ccc(\N=N\c2nc3ccccc3s2)c2ccccc12
Nc1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1ccccc1NC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O
Nc1nc(Nc2ccc(OCCN3CCCC3)c(F)c2)nn1C(=O)c1ccc(cc1)N1CCOCC1
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(Cl)nc2ccccc12
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2CCCc12
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2c3ccccc3sc12
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(Cl)cc12
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(F)cc12
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3Cl)[nH]c2n1
Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
Nc1ncnc2n(cc(-c3ccc(OCc4ccccc4)cc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wU:24.27,26.30,(-1.42,-33.72,;-1.41,-35.26,;-2.74,-36.03,;-2.74,-37.58,;-1.41,-38.35,;-.07,-37.58,;1.41,-38.05,;2.32,-36.79,;1.4,-35.54,;1.86,-34.08,;3.37,-33.75,;3.83,-32.29,;2.8,-31.15,;3.26,-29.68,;4.77,-29.35,;5.23,-27.88,;6.73,-27.56,;7.2,-26.09,;6.16,-24.95,;4.65,-25.29,;4.19,-26.76,;1.29,-31.48,;.82,-32.95,;-.08,-36.03,;1.89,-39.51,;1.2,-40.88,;2.58,-41.58,;3.06,-43.04,;2.04,-44.19,;.5,-44.27,;.59,-45.81,;2.13,-45.72,;3.27,-40.2,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@@H](C1)N1CCC1 |r,wU:26.32,wD:24.27,(12.58,1.25,;12.59,-.29,;11.26,-1.07,;11.26,-2.61,;12.59,-3.38,;13.92,-2.61,;15.4,-3.09,;16.31,-1.83,;15.4,-.58,;15.87,.89,;14.85,2.02,;15.32,3.49,;16.83,3.81,;17.87,2.67,;19.37,2.99,;20.4,1.84,;21.91,2.16,;22.94,1.01,;24.44,1.33,;24.92,2.8,;23.88,3.95,;22.38,3.62,;17.39,1.2,;13.92,-1.06,;15.87,-4.56,;15.17,-5.92,;16.54,-6.63,;17.25,-5.26,;17.01,-8.1,;16.3,-9.45,;17.67,-10.16,;18.37,-8.79,)|
Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@@H](C1)N1CCCC1 |r,wU:26.32,wD:24.27,(-6.06,2.61,;-6.05,1.07,;-7.38,.3,;-7.39,-1.25,;-6.05,-2.02,;-4.72,-1.25,;-3.24,-1.73,;-2.33,-.47,;-3.24,.78,;-2.77,2.25,;-3.79,3.38,;-3.32,4.85,;-1.81,5.17,;-.78,4.03,;.73,4.35,;1.76,3.2,;3.27,3.52,;4.29,2.37,;5.8,2.69,;6.28,4.16,;5.24,5.31,;3.74,4.98,;-1.25,2.56,;-4.72,.3,;-2.78,-3.19,;-3.47,-4.56,;-2.1,-5.27,;-1.4,-3.9,;-1.64,-6.73,;-2.54,-7.98,;-1.64,-9.23,;-.18,-8.76,;-.17,-7.22,)|
Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:26.30,28.35,(-7.24,-13.78,;-7.23,-15.32,;-8.56,-16.09,;-8.56,-17.63,;-7.23,-18.41,;-5.9,-17.63,;-4.43,-18.1,;-3.52,-16.85,;-4.43,-15.61,;-3.68,-14.27,;-4.46,-12.95,;-3.7,-11.61,;-2.16,-11.59,;-1.4,-10.26,;.14,-10.24,;.92,-11.58,;.15,-12.92,;-1.39,-12.92,;-2.13,-14.25,;2.45,-11.57,;3.23,-12.9,;4.77,-12.9,;5.53,-11.56,;4.75,-10.22,;3.21,-10.24,;-5.9,-16.08,;-3.96,-19.56,;-4.66,-20.93,;-3.28,-21.63,;-2.58,-20.26,;-2.8,-23.1,;-3.84,-24.24,;-3.37,-25.7,;-1.86,-26.03,;-.83,-24.88,;-1.3,-23.41,;-1.39,-27.49,;-2.43,-28.63,)|
Nc1ncnn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCN(CC1)C=O |r,wU:27.31,29.36,(5.56,-13.24,;5.57,-14.78,;4.24,-15.55,;4.24,-17.09,;5.57,-17.86,;6.9,-17.08,;8.37,-17.56,;9.28,-16.31,;8.37,-15.06,;9.12,-13.72,;8.34,-12.4,;9.1,-11.06,;10.64,-11.05,;11.4,-9.71,;12.94,-9.7,;13.72,-11.04,;12.95,-12.37,;11.41,-12.38,;10.67,-13.71,;11.45,-15.04,;15.25,-11.03,;16.03,-12.36,;17.57,-12.35,;18.33,-11.01,;17.55,-9.68,;16.01,-9.69,;6.9,-15.54,;8.84,-19.01,;8.14,-20.39,;9.52,-21.09,;10.21,-19.71,;10,-22.55,;8.96,-23.7,;9.43,-25.15,;10.94,-25.48,;11.97,-24.34,;11.5,-22.87,;11.41,-26.95,;10.37,-28.09,)|
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|
O=C(Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1cccc(c1)-n1cnnn1)Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1cccc(c1)-n1cnnn1
O=C(Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1cccc(c1)C#N)Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1cccc(c1)C#N
O=C(Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccccc1)Nc1ccc2ccc(cc2c1)S(=O)(=O)Nc1ccccc1
O=C1C(C(=O)C(=O)C(C1=O)c1ccc2ccccc2c1)c1ccccc1 |(8.71,-2.51,;8.71,-4.05,;10.04,-4.82,;10.04,-6.37,;11.39,-7.14,;8.71,-7.14,;8.71,-8.68,;7.39,-6.37,;7.39,-4.82,;6.04,-4.05,;6.04,-7.14,;6.06,-8.68,;4.73,-9.45,;3.37,-8.68,;2.06,-9.45,;.72,-8.68,;.72,-7.14,;2.06,-6.38,;3.37,-7.15,;4.71,-6.38,;11.39,-4.05,;11.37,-2.53,;12.7,-1.75,;14.06,-2.53,;14.05,-4.08,;12.7,-4.84,)|
O=C1C(C(=O)C(=O)C(C1=O)c1cccc2ccccc12)c1ccccc1 |(8.71,-2.51,;8.71,-4.05,;10.04,-4.82,;10.04,-6.37,;11.39,-7.14,;8.71,-7.14,;8.71,-8.68,;7.39,-6.37,;7.39,-4.82,;6.04,-4.05,;6.04,-7.14,;6.06,-8.68,;4.73,-9.45,;3.37,-8.68,;3.37,-7.14,;2.06,-6.38,;2.04,-4.85,;3.39,-4.08,;4.71,-4.85,;4.71,-6.38,;11.39,-4.05,;11.37,-2.53,;12.7,-1.75,;14.06,-2.53,;14.05,-4.08,;12.7,-4.84,)|
O=C1C(c2c[nH]c3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1 |(7.38,-5.53,;7.38,-3.99,;6.05,-3.23,;4.72,-4,;5.21,-5.44,;3.97,-6.37,;2.74,-5.49,;1.22,-5.83,;.15,-4.69,;.61,-3.18,;2.15,-2.85,;3.2,-4,;6.05,-1.69,;4.72,-.92,;7.38,-.91,;7.38,.63,;8.71,-1.69,;8.71,-3.23,;10.04,-4,;10.04,-.92,;10.04,.62,;11.37,1.39,;12.72,.61,;12.7,-.93,;11.37,-1.69,)|
O=C1C(c2coc3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1 |(8.69,-8.66,;8.69,-7.12,;7.37,-6.35,;6.03,-7.12,;6.52,-8.59,;5.28,-9.5,;4.04,-8.62,;2.53,-8.97,;1.47,-7.82,;1.94,-6.32,;3.46,-5.98,;4.51,-7.12,;7.37,-4.81,;6.03,-4.04,;8.69,-4.04,;8.69,-2.5,;10.02,-4.81,;10.02,-6.35,;11.36,-7.12,;11.36,-4.04,;11.35,-2.52,;12.68,-1.75,;14.03,-2.53,;14.02,-4.07,;12.68,-4.83,)|
O=C1C(c2csc3ccccc23)C(=O)C(=O)C(C1=O)c1ccccc1 |(8.69,-8.66,;8.69,-7.12,;7.37,-6.35,;6.03,-7.12,;6.52,-8.59,;5.28,-9.5,;4.04,-8.62,;2.53,-8.97,;1.47,-7.82,;1.94,-6.32,;3.46,-5.98,;4.51,-7.12,;7.37,-4.81,;6.03,-4.04,;8.69,-4.04,;8.69,-2.5,;10.02,-4.81,;10.02,-6.35,;11.36,-7.12,;11.36,-4.04,;11.35,-2.52,;12.68,-1.75,;14.03,-2.53,;14.02,-4.07,;12.68,-4.83,)|
O=C1Cc2cc3c(nc2-c2ccccc2N1)[nH]c(=O)[nH]c3=O
O=C1Cc2cc3c(nc2-c2cnccc2N1)[nH]c(=O)[nH]c3=O
O=C1Cc2cc3c(nc2-c2ncccc2N1)[nH]c(=O)[nH]c3=O
O=C1Cc2cnc(Nc3ccccc3)nc2-c2ccccc2N1
O=C1Cc2cnc3cc(nn3c2-c2ccccc2N1)-c1ccccc1
O=C1Cc2cnc3cc(nn3c2-c2cnccc2N1)-c1ccccc1
O=C1Cc2cnc3cc(nn3c2-c2ncccc2N1)-c1ccccc1
O=C1Cc2cnc3ccnn3c2-c2ccccc2N1
O=C1Cc2cnc3ccnn3c2-c2ncccc2N1
O=C1Cc2cnc3ncnn3c2-c2ncccc2N1
O=C1NCCc2[nH]c(cc12)-c1ccncc1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
OC(=O)Cc1cccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4cccc(CC(O)=O)c4)cc3c2)c1
OC(=O)c1cc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4ccc(Cl)c(c4)C(O)=O)cc3c2)ccc1Cl
OC(=O)c1cc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4ccc(O)c(c4)C(O)=O)cc3c2)ccc1O
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(Cl)c(c4)C(O)=O)cc3c2)ccc1Cl
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(O)c(c4)C(O)=O)cc3c2)ccc1O
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(c(c4)C(O)=O)[N+]([O-])=O)cc3c2)ccc1[N+]([O-])=O
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S([O-])(=O)=O)cc3c2)ccc1O
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=S)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(Cl)c(c4)C(O)=O)cc3c2)ccc1Cl
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(NC#N)=Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(Cl)c(c4)C(O)=O)cc3c2)ccc1Cl |w:22.22|
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NCCNc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(Cl)c(c4)C(O)=O)cc3c2)ccc1Cl
OC(=O)c1cc(NS(=O)(=O)c2ccc3ccc(cc3c2)N2CCN(C2=O)c2ccc3ccc(cc3c2)S(=O)(=O)Nc2ccc(Cl)c(c2)C(O)=O)ccc1Cl
OC(=O)c1cc(ccc1O)-c1ccc(C=C2SC(=O)NC2=O)o1 |w:14.14|
OC(=O)c1ccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4ccc(cc4)C(O)=O)cc3c2)cc1
OC(=O)c1ccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(cc4)C(O)=O)cc3c2)cc1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
OC(=O)c1ccc(cc1)-c1ccc(C=C2SC(=S)NC2=O)o1 |w:13.13|
OC(=O)c1cccc(NC(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)C(=O)Nc4cccc(c4)C(O)=O)cc3c2)c1
OC(=O)c1cccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4cccc(C(O)=O)c4Cl)cc3c2)c1Cl
OC(=O)c1cccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4cccc(c4)C(O)=O)cc3c2)c1
OC(=O)c1cccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4cccc(C(O)=O)c4O)cc3c2)c1O
OC(=O)c1cccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4cccc(c4)C(O)=O)cc3c2)c1
OC(=O)c1ccccc1NS(=O)(=O)c1cc(O)c2ccc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)Nc3ccccc3C(O)=O)cc2c1
OC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccc(NC(=O)Nc3ccc4ccc(cc4c3)S(=O)(=O)Nc3ccccc3C(O)=O)cc2c1
OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O |r|
OCc1cccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(cc5c4)S(=O)(=O)Nc4cccc(CO)c4)cc3c2)c1
ONC(=O)\C=C\c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)\C=C\c1cccc(c1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)c1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
ONC(=O)c1ccc(s1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
OP(O)(O)C(=O)c1ccc2ccccc2c1
OS(=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:12.21|
O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Oc1cc(c(N=Nc2ccc(cc2S(O)(=O)=O)N=Nc2ccc(cc2)S(O)(=O)=O)c2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc(cc5S(O)(=O)=O)N=Nc5ccc(cc5)S(O)(=O)=O)c(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O |w:18.19,6.6,43.44,55.57|
Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)Nc3ccc(Cl)c(c3)S([O-])(=O)=O)ccc12)S(=O)(=O)Nc1ccc(Cl)c(c1)S([O-])(=O)=O
Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)Nc3cccc(c3)-n3cnnn3)ccc12)S(=O)(=O)Nc1cccc(c1)-n1cnnn1
Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)Nc3cccc(c3)C(F)(F)F)ccc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)Nc3cccc(c3)S([O-])(=O)=O)ccc12)S(=O)(=O)Nc1cccc(c1)S([O-])(=O)=O
Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Oc1ccc(CCN2CCc3c([nH]c4ccc(Br)cc34)-c3c(Cl)nccc23)cc1
Oc1ccc(CCN2CCc3c([nH]c4ccc(Br)cc34)-c3c(I)ccnc23)cc1
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3OCOc3c2)cc1O
Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3ccccc3c2)cc1O
Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3cn[nH]c3c2)cc1O
Oc1ccc(CNc2ccc3OCOc3c2)cc1O
Oc1ccc(CNc2ccc3ccccc3c2)cc1O
Oc1ccc(CNc2ccc3cn[nH]c3c2)cc1O
Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Oc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
Oc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1Cl
Oc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1
Oc1ccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)cc1Cl
Oc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1
Oc1ccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)cc1Cl
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Oc1cccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4cccc(O)c4)cc3c2)c1
Oc1cccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)c1
Oc1cccc(Nc2ncc3CC(=O)Nc4cccnc4-c3n2)c1
Oc1cccc(Nc2ncc3CC(=O)Nc4ccncc4-c3n2)c1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Oc1ccccc1Nc1ncc2CC(=O)Nc3ccccc3-c2n1
SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccccc1Cl |w:7.8,t:1|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CC(CCCc3c2OC)NCCOC)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CCCC(Cc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5|
[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,)|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
[O-]S(=O)(=O)c1cc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(Cl)c(c4)S([O-])(=O)=O)cc3c2)ccc1Cl
[O-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4ccc(cc4)S([O-])(=O)=O)cc3c2)cc1
[O-]S(=O)(=O)c1ccc2ccc(NC(=O)Nc3ccc4ccc(cc4c3)S(=O)(=O)Nc3ccc(Cl)c(c3)S([O-])(=O)=O)cc2c1
[O-]S(=O)(=O)c1cccc(NC(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)C(=O)Nc4cccc(c4)S([O-])(=O)=O)cc3c2)c1
[O-]S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4cccc(c4)S([O-])(=O)=O)cc3c2)c1
[O-][N+](=O)c1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1
[O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(cc5c4)S(=O)(=O)Nc4cccc(c4)[N+]([O-])=O)cc3c2)c1
[O-][N+](=O)c1cccc(\C=C2\SC(=O)NC2=O)c1
[O-][N+](=O)c1ccccc1-c1ccc(\C=C2/SC(=O)NC2=O)o1