218 SMILES Strings for Protein-serine O-palmitoleoyltransferase porcupine

Compound Name
SMILES String
CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1
CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(F)c2)nc1
CC(=O)N1CCN(CC1)c1ccc(OCC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
CC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(cn3)-c3cnccn3)cc2C1
CC(=O)c1ccc(NC(=O)CSc2nc3CCSc3c(=O)n2-c2ccccc2)cc1
CC(C(=O)Nc1ccc(cn1)-c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccncc1
CC(Oc1ccc(cc1)-c1ccnc(C)c1)C(=O)Nc1ccc(cn1)-c1cnccn1
CC1Cc2nc(SCC(=O)Nc3nc4ccc(C)cc4s3)n(C)c(=O)c2S1
CCC(C(=O)Nc1ccc(cn1)-c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccncc1
CCCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccncc1
CCOC(=O)c1ccc(NC(=O)CSc2nc3CCSc3c(=O)n2-c2ccccc2)cc1
CCOC(=O)c1ccc(cc1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1
CCOC(=O)c1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
CCOc1ccc(NC(=O)CSc2nc3CCSc3c(=O)n2-c2ccccc2)cc1
CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2CC(C)Sc2c1=O
CN(C)c1ccc(NC(=O)CSc2nc3CCSc3c(=O)n2-c2ccccc2)cc1
CN(CC(=O)Nc1ccc(cn1)-c1cnccn1)c1ccc(cc1)-c1ccnc(C)c1
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3ccccc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3ccccn3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3cccnc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3ccncc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3nccs3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cn3)-c3ccccc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nc3)-c3ccccc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nc3)-c3cccnc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3ccc(C)nc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3ccccc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cccnc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cncc(F)c3)CCC2)C1=O |t:4|
CN1C(=O)c2cccc(CC(=O)Nc3ccc(cc3)-c3nccs3)c2C1=O
COC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1
COc1cc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cnc1-c1ccnc(C)c1
COc1cc(F)ccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2CCSc2c1=O |(5.3,-3.94,;6.54,-3.93,;7.31,-5.26,;6.55,-6.6,;7.32,-7.93,;6.71,-9,;8.86,-7.92,;9.63,-6.59,;8.85,-5.25,;9.62,-3.92,;8.84,-2.59,;7.3,-2.61,;6.52,-1.28,;4.98,-1.29,;4.37,-2.37,;4.2,.03,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-3.45,-1.38,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;9.61,-1.23,;11.15,-1.24,;12.18,-.1,;13.57,-.7,;13.43,-2.23,;11.93,-2.57,;11.18,-3.92,;11.81,-4.98,)|
COc1ccc(Cn2c(SCC(=O)Nc3nc4ccc(cc4s3)C(F)(F)F)nc3CCSc3c2=O)cc1
COc1ccc(cc1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1
COc1ccc(cc1)-c1nnn(CC(=O)Nc2ccc(cn2)-c2ccccc2)c1-c1ccccc1
COc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(Cl)cc3s2)nc2CCSc2c1=O
COc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2CCSc2c1=O
COc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)nc2CCSc2c1=O
COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(C)cc3s2)c2ccccc2c1=O
COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2c1=O
COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2c1=O
COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O
COc1ccc(cc1)-n1nc(CNCC(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2c1=O
COc1ccc2cc(OCC(=O)Nc3ccc(cn3)-c3cnccn3)ccc2c1
COc1ccc2nc(NC(=O)CNC(=O)c3ccc(=O)n(c3)-c3ccccc3)sc2c1
COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccc(F)cc4)c(=O)c4ccccc34)sc2c1
COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4OC)c(=O)c4ccccc34)sc2c1
COc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccc(F)cc3)sc2c1
COc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3)ccc2c1
COc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3)sc2c1
COc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3OC)sc2c1 |(11.8,-25.52,;12.58,-26.85,;11.82,-28.19,;12.6,-29.53,;11.84,-30.86,;10.3,-30.86,;9.28,-32.01,;7.87,-31.39,;6.54,-32.17,;5.21,-31.4,;5.2,-29.86,;3.87,-32.18,;3.88,-33.72,;2.55,-34.49,;1.21,-33.73,;-.14,-34.51,;-1.6,-34.04,;-2.5,-35.28,;-1.59,-36.53,;-.13,-36.05,;1.21,-36.82,;1.21,-38.36,;2.55,-36.04,;3.88,-36.81,;3.88,-38.35,;5.22,-39.12,;6.55,-38.35,;6.54,-36.8,;5.21,-36.04,;5.2,-34.5,;6.53,-33.72,;8.02,-29.86,;9.53,-29.53,;10.29,-28.2,)|
COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3cccnc3)sc2c1
COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccnc(C)c3)sc2c1
COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccncc3)sc2c1
COc1ccc2nc(sc2c1)C(=O)NCc1ccc(cc1)-c1ccncc1
COc1ccc2nc(sc2c1)N(C)C(=O)Cc1ccc(cc1)-c1ccncc1
COc1ccccc1-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 |(9.1,-6.3,;9.1,-7.84,;7.77,-8.62,;7.77,-10.15,;6.43,-10.93,;5.1,-10.15,;5.1,-8.61,;6.44,-7.85,;6.45,-6.32,;5.21,-5.41,;5.68,-3.95,;7.22,-3.95,;7.7,-5.41,;9.16,-5.89,;10.49,-5.1,;10.46,-3.56,;11.83,-5.86,;13.15,-5.07,;14.5,-5.82,;15.82,-5.04,;15.8,-3.49,;14.46,-2.74,;13.13,-3.53,;17.13,-2.7,;18.47,-3.46,;19.79,-2.67,;19.77,-1.13,;18.43,-.38,;17.1,-1.16,;3.74,-5.89,;3.42,-7.39,;1.95,-7.87,;.81,-6.83,;1.14,-5.33,;2.6,-4.85,)|
COc1ccccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2CCSc2c1=O |(3.46,-37.28,;2.64,-35.97,;3.36,-34.61,;4.9,-34.56,;5.62,-33.19,;4.79,-31.89,;3.26,-31.95,;2.54,-33.31,;1.01,-33.36,;.18,-32.06,;.9,-30.7,;2.44,-30.65,;3.16,-29.28,;4.7,-29.23,;2.34,-27.98,;.8,-28.04,;-.15,-26.82,;-1.59,-27.36,;-2.95,-26.64,;-4.25,-27.46,;-4.19,-29,;-5.49,-29.82,;-2.83,-29.71,;-1.54,-28.9,;-.06,-29.32,;-1.36,-32.12,;-2.08,-33.46,;-3.58,-33.83,;-3.7,-35.38,;-2.26,-35.96,;-1.26,-34.78,;.28,-34.72,;1.09,-36.03,)|
COc1ccccc1-n1c(SCC(=O)Nc2nc3ccc(Cl)cc3s2)nc2CCSc2c1=O |(29.25,-7.08,;27.92,-7.85,;27.92,-9.39,;29.26,-10.16,;29.27,-11.7,;27.93,-12.48,;26.6,-11.71,;26.6,-10.17,;25.27,-9.4,;25.26,-7.85,;26.59,-7.07,;26.59,-5.53,;27.92,-4.75,;27.91,-3.21,;29.26,-5.52,;30.59,-4.74,;31.99,-5.37,;33.01,-4.22,;34.55,-4.21,;35.32,-2.88,;34.53,-1.55,;35.3,-.21,;33,-1.56,;32.24,-2.89,;30.74,-3.21,;23.92,-7.08,;22.59,-7.86,;21.12,-7.39,;20.22,-8.64,;21.13,-9.88,;22.59,-9.4,;23.93,-10.17,;23.93,-11.71,)|
COc1ccccc1-n1c(SCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)nc2CCSc2c1=O |(46.71,-19.26,;45.38,-20.03,;45.39,-21.58,;46.72,-22.34,;46.73,-23.89,;45.4,-24.66,;44.06,-23.89,;44.06,-22.35,;42.73,-21.58,;42.73,-20.03,;44.06,-19.25,;44.05,-17.71,;45.39,-16.94,;45.38,-15.4,;46.72,-17.7,;48.05,-16.93,;49.46,-17.55,;50.48,-16.4,;52.02,-16.4,;52.78,-15.06,;52,-13.73,;50.47,-13.74,;49.71,-15.07,;48.2,-15.39,;52.76,-12.39,;54.3,-12.38,;51.98,-11.06,;53.52,-11.05,;41.39,-19.26,;40.05,-20.04,;38.59,-19.57,;37.69,-20.82,;38.6,-22.06,;40.06,-21.58,;41.39,-22.35,;41.39,-23.89,)|
COc1ccccc1-n1nc(C(=O)NCC(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O
C[C@@H](C(=O)Nc1ccc(cc1)-c1ccsc1)n1cnc2n(C)c(=O)n(C)c(=O)c12 |r|
C[C@@H](Nc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
C[C@@H](Oc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r|
C[C@H](C(=O)Nc1ccc(cc1)-c1ccsc1)n1cnc2n(C)c(=O)n(C)c(=O)c12 |r|
C[C@H](Nc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r|
C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r|
C[C@H](Oc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r|
Cc1cc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cnc1-c1ccnc(CO)c1
Cc1cc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cnc1-c1ccnc(F)c1
Cc1cc(CC(=O)Nc2ccc(cn2)N2CCNCC2)cnc1-c1ccnc(F)c1
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccc2)cc1
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccc2)cn1
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccn2)cn1
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cn1
Cc1cc(ccn1)-c1ccc(CCC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)cc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3-c4ccccc4C(F)(F)c3c2)cc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cn1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)nc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3c(c2)n(C)c2ccccc32)cc1
Cc1cc(ccn1)-c1ccc(CNC(=O)c2ccc3c(c2)oc2ccccc32)cc1
Cc1cc(ccn1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Cc1cc(ccn1)-c1ccc(NCC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
Cc1cc(ccn1)-c1ccc(OC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Cc1cc(ccn1)-c1ccc(OC(=O)Nc2ccc(cc2)-c2cccnc2)cc1
Cc1cc(ccn1)-c1ccc(OC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
Cc1cc(ccn1)-c1ccc(SCC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
Cc1cc(ccn1)-c1cccc(NCC(=O)Nc2ccc(cn2)-c2cnccn2)c1
Cc1cc(ccn1)-c1cccc(OCC(=O)Nc2ccc(cn2)-c2cnccn2)c1
Cc1cc(ccn1)-c1cccc(SCC(=O)Nc2ccc(cn2)-c2cnccn2)c1
Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2ccccn2)cc1C
Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)cc1F
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1F
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3-c4ccccc4C(F)(F)c3c2)cc1F
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1C
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1C#N
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1F
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)n(C)c2ccccc32)cc1F
Cc1cc(ccn1)-c1ncc(CNC(=O)c2ccc3c(c2)oc2ccccc32)cc1F
Cc1ccc(cn1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1 |c:20|
Cc1ccc(cn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Cc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccc(F)cc4)c(=O)c4ccccc34)sc2c1
Cc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
Cc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccc(F)cc3)sc2c1
Cc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3)sc2c1
Cc1cccc(c1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1
Cc1ccccc1-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 |(60.11,-49.86,;58.78,-50.63,;58.78,-52.16,;57.44,-52.94,;56.1,-52.16,;56.11,-50.62,;57.45,-49.86,;57.46,-48.33,;56.22,-47.42,;56.69,-45.96,;58.23,-45.96,;58.71,-47.42,;60.17,-47.9,;61.49,-47.11,;61.47,-45.57,;62.84,-47.87,;64.16,-47.08,;65.51,-47.83,;66.82,-47.05,;66.8,-45.5,;65.47,-44.75,;64.14,-45.54,;68.13,-44.71,;69.48,-45.47,;70.8,-44.68,;70.78,-43.14,;69.43,-42.39,;68.11,-43.17,;54.75,-47.9,;54.43,-49.4,;52.96,-49.88,;51.82,-48.84,;52.14,-47.34,;53.61,-46.86,)|
Cc1cn(cn1)-c1ccc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1
Cc1cnccc1-c1nnn(CC(=O)Nc2ccc(cn2)-c2ccccc2)c1-c1ccccc1
Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Clc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
Clc1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3)sc2c1
Cn1c2nc3CCC(C(=O)Nc4ccc(cc4)-c4nccs4)n3c2c(=O)n(C)c1=O
Cn1c2nc3CC[C@@H](CC(=O)Nc4ccc(nn4)-c4ccccc4)n3c2c(=O)n(C)c1=O |r|
Cn1c2ncn(CC(=O)Nc3ccc(cc3)-c3ccsc3)c2c(=O)n(C)c1=O
Cn1c2ncn(CC(=O)Nc3ccc(cc3)-c3nccs3)c2c(=O)n(C)c1=O
Cn1c2ncn(CC(=O)Nc3ccc(nn3)-c3ccccc3)c2c(=O)n(C)c1=O
Cn1ncc2cc(NCC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
Cn1ncc2cc(OCC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
Cn1nccc1-c1ccc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1
Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
FC(F)(F)c1cc(ccn1)-c1nnn(CC(=O)Nc2ccc(cn2)-c2ccccc2)c1-c1ccccc1
FC(F)(F)c1ccc(cc1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1
FC(F)(F)c1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
FC(F)(F)c1ccc2nc(NC(=O)CSc3nc4CCSc4c(=O)n3-c3ccccc3)sc2c1
FC(F)(F)c1ccccc1-c1nnn(CC(=O)Nc2ccc(cn2)-c2ccccc2)c1-c1ccccc1
Fc1ccc(cc1)-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1
Fc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(Cl)cc3s2)nc2CCSc2c1=O
Fc1ccc(cc1)-n1c(SCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)nc2CCSc2c1=O
Fc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2c1=O
Fc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c2ccccc2c1=O
Fc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O
Fc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
Fc1cncc(c1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1 |c:20|
Fc1cnccc1-c1nnn(CC(=O)Nc2ccc(cn2)-c2ccccc2)c1-c1ccccc1
Nc1noc2ccc(OCC(=O)Nc3ccc(cn3)-c3cnccn3)cc12
O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7|
O=C(CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1nc2ccccc2s1
O=C(CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1nccs1
O=C(CNc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
O=C(CNc1ccc2[nH]ncc2c1)Nc1ccc(cn1)-c1cnccn1
O=C(COc1ccc(cc1)-c1ccn[nH]1)Nc1ccc(cc1)-c1ccccc1
O=C(COc1ccc(cc1)-c1cnco1)Nc1ccc(cc1)-c1ccccc1
O=C(COc1ccc(cc1)-n1cccc1)Nc1ccc(cc1)-c1ccccc1
O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
O=C(COc1ccc(cc1)C#N)Nc1ccc(cn1)-c1cnccn1
O=C(COc1ccc2[nH]ncc2c1)Nc1ccc(cn1)-c1cnccn1
O=C(COc1ccc2cc(ccc2c1)C#N)Nc1ccc(cn1)-c1cnccn1
O=C(COc1ccc2ccccc2c1)Nc1ccc(cn1)-c1cnccn1
O=C(COc1ccc2ccncc2c1)Nc1ccc(cn1)-c1cnccn1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)-c1ccccc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)-c1ccccn1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)-c1cccnc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)-c1ccncc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)N1CCCCC1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccccc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1cccnc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccco1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1cccs1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccoc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccsc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1cncnc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(nc1)-c1ccccc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1cccc(c1)-c1ccccc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccccc1-c1ccccc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1nc(cs1)-c1ccccc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(cn1)-c1ccccc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(cn1)-c1ccco1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(cn1)-c1ccoc1
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(s1)-c1ccccc1
O=C(Cc1ccc(cc1)-c1ccncc1)Nc1nc(cs1)-c1ccccc1
O=C(Cn1cc(nn1)-c1ccccc1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1cc(nn1)-c1ccccn1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1cc(nn1)-c1cccnc1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1cc(nn1)-c1ccncc1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccc(cc1)C#N)-c1ccncc1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1nnc(c1-c1cccc2ccccc12)-c1ccncc1)Nc1ccc(cn1)-c1ccccc1 |(26.49,-4.07,;26.51,-5.61,;25.18,-6.4,;23.72,-5.93,;23.24,-4.46,;21.7,-4.46,;21.23,-5.92,;22.47,-6.83,;22.46,-8.36,;21.12,-9.13,;21.12,-10.67,;22.45,-11.44,;23.79,-10.67,;25.11,-11.43,;26.44,-10.67,;26.44,-9.13,;25.11,-8.37,;23.79,-9.13,;19.76,-6.4,;19.44,-7.9,;17.97,-8.38,;16.83,-7.35,;17.16,-5.84,;18.62,-5.37,;27.85,-6.37,;29.17,-5.58,;30.52,-6.33,;31.84,-5.55,;31.82,-4,;30.48,-3.26,;29.15,-4.04,;33.15,-3.22,;34.49,-3.97,;35.81,-3.18,;35.79,-1.65,;34.45,-.89,;33.13,-1.68,)|
O=C(Cn1nnc(c1-c1ccccc1)-c1ccccc1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccccn1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1cccnc1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cc1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cc1)-c1ccccn1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cc1)-c1cccnc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cc1)-c1ccncc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cc1)N1CCCCC1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1cccnc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1ccco1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1cccs1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1ccoc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1ccsc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)-c1cncnc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(cn1)N1CCCCC1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ccc(nc1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1cccc(c1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ncc(cn1)-c1ccccc1
O=C(Cn1nnc(c1-c1ccccc1)-c1ccncc1)Nc1ncc(s1)-c1ccccc1
O=C(NCc1ccc(cc1)-c1ccncc1)c1ccc2c(c1)[nH]c1ccccc21
O=C(NCc1ccc(cc1)-n1ccnc1)c1ccc2c(c1)[nH]c1ccccc21
O=C(NCc1ccc-2c(Cc3ccccc-23)c1)c1ccc(cc1)-c1ccccc1
O=C(NCc1ccc-2c(Cc3ccccc-23)c1)c1ccc(cc1)-c1cnccn1
O=C(NCc1ccc2c(c1)oc1ccccc21)c1ccc(cc1)-c1cnccn1
O=C(NCc1ccc2cc(ccc2c1)C#N)c1ccc2c(c1)[nH]c1ccccc21
O=C(NCc1ccc2cnccc2c1)c1ccc2c(c1)[nH]c1ccccc21
O=C(Nc1ccc(cc1)-c1ccccc1)[C@@H]1CCCN1c1ccc(cc1)-n1ccnc1 |r|
O=C(Nc1ccc(cc1)-c1ccccc1)[C@H]1CCCN1c1ccc(cc1)-n1ccnc1 |r|
[O-][N+](=O)c1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1