74 SMILES Strings for Hemagglutinin

Compound Name
SMILES String
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
CC(=O)Nc1c(cc(cc1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N |r|
CC(=O)c1cc(C)c(O)c(Cc2[nH]c3ccccc3c2Cc2c(O)c(C)cc(C(C)=O)c2O)c1O
CC(C)(C=C)c1[nH]c2ccccc2c1\C=c1/[nH]c(=O)c(=C)[nH]c1=O
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(C)C)C(=O)N[C@@H](CO)C(O)=O |r,wU:43.52,65.68,26.35,8.20,75.82,116.120,wD:90.93,83.85,37.41,69.74,97.109,54.64,4.4,(-5.83,-18.3,;-5.83,-19.84,;-7.17,-20.61,;-4.5,-20.61,;-4.5,-22.15,;-3.16,-22.91,;-1.83,-22.14,;-1.83,-20.6,;-.5,-22.91,;-.5,-24.46,;-1.83,-25.23,;-3.23,-24.6,;-4.27,-25.75,;-3.49,-27.07,;-3.96,-28.54,;-2.93,-29.68,;-1.43,-29.36,;-.96,-27.89,;-1.99,-26.75,;.83,-22.14,;2.17,-22.91,;2.17,-24.45,;3.51,-22.14,;4.84,-22.91,;6.17,-22.14,;6.17,-20.6,;7.51,-22.9,;7.51,-24.45,;6.17,-25.22,;6.17,-26.76,;4.84,-27.53,;4.84,-29.07,;6.18,-29.86,;3.51,-29.85,;8.85,-22.14,;10.18,-22.91,;10.18,-24.45,;11.52,-22.14,;11.52,-20.6,;10.17,-19.83,;12.84,-22.92,;14.17,-22.14,;14.17,-20.61,;15.5,-22.91,;15.5,-24.45,;14.17,-25.23,;14.17,-26.77,;12.84,-27.54,;12.84,-29.08,;14.17,-29.85,;11.5,-29.86,;16.84,-22.14,;18.17,-22.91,;18.17,-24.45,;19.51,-22.14,;19.51,-20.6,;18.17,-19.84,;16.84,-20.61,;15.51,-19.84,;15.51,-18.31,;16.84,-17.54,;18.16,-18.3,;20.84,-22.91,;22.18,-22.15,;22.18,-20.61,;23.51,-22.92,;24.84,-22.14,;26.17,-22.92,;26.17,-24.46,;27.51,-22.15,;27.51,-20.61,;26.16,-19.83,;28.84,-22.92,;30.18,-22.15,;30.18,-20.62,;31.51,-22.92,;31.51,-24.47,;30.18,-25.24,;28.85,-24.45,;30.18,-26.78,;32.84,-22.16,;34.18,-22.93,;34.18,-24.47,;35.52,-22.16,;35.43,-20.61,;37.07,-20.27,;37.9,-21.72,;36.78,-22.97,;36.97,-24.5,;35.81,-25.51,;38.43,-25,;39.55,-23.93,;40.87,-24.95,;40.32,-26.52,;38.63,-26.49,;37.62,-27.64,;36.1,-27.33,;38.1,-29.1,;39.61,-29.41,;40.63,-28.26,;42.14,-28.57,;43.15,-27.41,;44.66,-27.73,;45.15,-29.19,;45.67,-26.57,;37.07,-30.25,;37.56,-31.71,;39.07,-32.02,;36.53,-32.86,;37.01,-34.33,;23.51,-24.46,;22.18,-25.23,;24.85,-25.23,;-5.83,-22.91,;-5.83,-24.46,;-7.17,-22.15,;-8.5,-22.92,;-8.5,-24.46,;-9.83,-25.23,;-9.83,-22.15,;-11.17,-22.92,;-9.83,-20.62,)|
CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
CC.Oc1cc2c(cccc2[nH]c1=O)-c1ccc(F)cc1
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1SC2(CCC(C)CC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O |TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,12:14:17:21.20.19,(20.87,-7.87,;19.96,-9.18,;20.46,-10.62,;19.24,-11.54,;20.56,-12.29,;20.58,-13.82,;19.28,-14.61,;19.31,-16.21,;17.94,-13.87,;17.92,-12.34,;17.98,-10.68,;16.48,-11.2,;15.13,-10.35,;15.19,-8.83,;13.74,-11.1,;13.03,-12.62,;11.49,-12.39,;10.08,-13.16,;10.98,-11.6,;10.62,-10.11,;11.86,-9.32,;11.11,-10.8,;13.4,-9.57,;12.42,-11.78,;18.43,-9.21,;17.51,-7.99,)|
CC1SC2(CCC(C)CC2)N(NC(=O)c2c(C)nc3sccn23)C1=O |(9.09,-15.26,;10.63,-15.1,;11.66,-16.25,;13.06,-15.62,;14.4,-14.85,;15.73,-15.62,;15.73,-17.16,;17.06,-17.93,;14.4,-17.93,;13.06,-17.16,;12.9,-14.09,;14.05,-13.06,;13.73,-11.55,;12.29,-11,;14.92,-10.58,;16.41,-10.98,;16.96,-12.42,;17.25,-9.69,;16.28,-8.49,;16.2,-6.95,;14.71,-6.56,;13.87,-7.85,;14.84,-9.04,;11.4,-13.77,;10.77,-12.36,)|
CCCCC(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r|
CCCCCCCCCCCC(=O)O[Si](OC(=O)CCCCCCCCCCC)(c1ccccc1)c1ccccc1
CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|
CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|
CCCCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O
CCCCCCCCCC[Si](C)(C)CCOC1OC(CO)C(O)C(O)C1O
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r,wU:2.2,52.55,85.89,42.45,8.16,23.33,95.98,68.71,wD:35.36,4.4,90.94,114.120,74.77,57.59,105.109,(20.37,-11.7,;20.37,-10.16,;21.71,-9.39,;23.05,-10.16,;21.71,-7.85,;20.37,-7.08,;19.04,-7.85,;19.04,-9.39,;17.71,-7.08,;17.71,-5.54,;19.04,-4.77,;20.37,-5.54,;21.71,-4.77,;21.71,-3.24,;20.38,-2.46,;19.04,-3.24,;16.37,-7.85,;15.04,-7.08,;15.04,-5.54,;13.71,-7.85,;12.37,-7.08,;11.03,-7.85,;11.03,-9.39,;9.7,-7.08,;9.7,-5.54,;11.03,-4.77,;11.03,-3.24,;12.37,-2.47,;13.7,-3.24,;15.03,-2.46,;13.7,-4.77,;12.37,-5.54,;8.37,-7.85,;7.04,-7.08,;7.04,-5.54,;5.74,-7.92,;5.66,-9.46,;4.18,-9.86,;3.33,-8.57,;4.31,-7.36,;3.91,-5.88,;5,-4.79,;2.42,-5.48,;1.33,-6.57,;2.02,-3.99,;.53,-3.59,;-.56,-4.68,;-2.05,-4.28,;-.16,-6.17,;23.05,-7.08,;23.05,-5.54,;24.38,-7.85,;25.71,-7.08,;25.71,-5.54,;27.05,-7.85,;27.05,-9.39,;28.38,-7.08,;29.71,-7.85,;29.71,-9.39,;31.05,-10.16,;32.38,-9.4,;33.71,-10.16,;33.71,-11.7,;32.38,-12.46,;31.05,-11.69,;31.05,-7.08,;31.05,-5.54,;32.39,-7.85,;33.72,-7.08,;33.72,-5.54,;35.05,-4.77,;35.05,-7.85,;35.05,-9.39,;36.38,-7.08,;37.72,-7.85,;37.72,-9.39,;39.05,-10.16,;39.05,-11.7,;40.39,-12.47,;40.39,-14.01,;39.05,-14.78,;41.72,-14.78,;39.05,-7.08,;39.05,-5.54,;40.39,-7.85,;41.72,-7.08,;41.72,-5.54,;43.05,-7.85,;43.05,-9.39,;44.38,-7.08,;45.72,-7.85,;45.72,-9.39,;47.06,-7.08,;47.06,-5.54,;48.39,-7.85,;49.72,-7.08,;49.72,-5.54,;51.06,-4.77,;52.47,-5.4,;53.5,-4.25,;52.72,-2.92,;51.22,-3.23,;51.06,-7.85,;51.06,-9.39,;52.39,-7.08,;53.72,-7.85,;53.72,-9.39,;55.06,-10.16,;55.06,-7.08,;55.06,-5.54,;56.4,-7.85,;56.56,-9.39,;58.07,-9.7,;58.83,-8.37,;57.8,-7.22,;58.12,-5.72,;59.61,-5.32,;57.03,-4.63,)|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)O[C@H]1CC(OCCCCCCC(=O)NCc2cccc3ccccc23)(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O |r|
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)C1(CCN(Cc2ccccc2)CC1)C(=O)NCc1ccccc1 |r|
CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)N)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:33.41,12.11,4.4,89.92,106.110,77.79,19.22,44.46,wD:25.30,8.8,53.53,73.76,60.60,94.96,47.49,(12.92,-9.86,;12.53,-8.37,;13.63,-7.29,;13.24,-5.8,;14.34,-4.72,;15.82,-5.13,;16.22,-6.62,;15.12,-7.71,;17.69,-7.03,;18.08,-8.52,;19.57,-8.93,;20.66,-7.86,;19.95,-10.43,;18.97,-11.61,;19.8,-12.91,;21.3,-12.52,;21.39,-10.98,;22.69,-10.16,;22.7,-8.62,;24.01,-10.94,;24,-12.48,;22.66,-13.24,;25.35,-10.18,;26.68,-10.96,;26.67,-12.5,;28.02,-10.2,;28.03,-8.66,;26.71,-7.88,;25.37,-8.64,;26.72,-6.34,;29.35,-10.98,;30.69,-10.22,;30.7,-8.68,;32.01,-11,;32,-12.54,;30.66,-13.3,;30.65,-14.84,;29.31,-15.61,;29.3,-17.15,;30.62,-17.93,;27.95,-17.9,;33.35,-10.24,;34.68,-11.02,;34.67,-12.57,;36.02,-10.26,;36.03,-8.72,;37.35,-11.05,;18.79,-5.95,;20.28,-6.36,;18.41,-4.46,;13.96,-3.23,;15.05,-2.16,;12.47,-2.82,;12.09,-1.33,;13.18,-.25,;12.8,1.24,;14.67,-.66,;10.6,-.92,;9.5,-2,;10.21,.57,;8.72,.98,;8.34,2.47,;9.44,3.56,;10.95,3.3,;11.67,4.67,;10.58,5.77,;9.2,5.08,;7.63,-.1,;8.02,-1.58,;6.14,.32,;5.6,1.76,;4.06,1.69,;3.65,.2,;4.94,-.64,;5,-2.18,;6.33,-2.96,;3.71,-3.01,;3.77,-4.55,;5.1,-5.33,;5.09,-6.88,;3.75,-7.64,;6.42,-7.65,;2.48,-5.38,;1.15,-4.6,;2.47,-6.92,;1.13,-7.68,;1.11,-9.21,;2.44,-10,;-.23,-9.98,;-.24,-11.52,;1.09,-12.29,;-1.58,-12.27,;-2.91,-11.49,;-1.59,-13.81,;-2.93,-14.57,;-4.26,-13.8,;-5.6,-14.56,;-6.93,-13.77,;-6.91,-12.24,;-8.26,-14.53,;-2.94,-16.12,;-4.28,-16.88,;-1.62,-16.9,;-.2,-16.28,;.82,-17.44,;.04,-18.77,;-1.46,-18.43,;-2.62,-19.45,;-4.1,-19.04,;-2.23,-20.94,)|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
C[C@@H]1NC(=O)\C(NC1=O)=C\c1c([nH]c2ccccc12)C(C)(C)C=C
C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Cc1c(O)c(=O)[nH]c2cc(ccc12)-c1ccc(F)cc1
Cc1c(O)c(=O)[nH]c2ccccc12
Cc1nc(nc(N[C@@H]2CCC[C@@H](C2)NC(=O)c2ccccn2)c1F)-c1c[nH]c2ncncc12 |r,$;;;;;;HN;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
Cc1nc(nc(N[C@H]2CCC[C@H](C2)NC(=O)c2cn(C)cn2)c1F)-c1c[nH]c2c(F)cc(F)cc12 |r|
Cc1nc(nc(N[C@H]2CCC[C@H](C2)NC(=O)c2cnn(C)c2)c1F)-c1c[nH]c2c(F)cc(F)cc12 |r|
Cc1nc(nc(N[C@H]2CCC[C@H](C2)NC(=O)c2cnnn2)c1F)-c1c[nH]c2c(F)cc(F)cc12 |r|
Cc1nc(nc(N[C@H]2CCC[C@H](C2)NC(=O)c2csc(n2)C(O)=O)c1F)-c1c[nH]c2c(F)cc(F)cc12 |r|
Fc1cc(F)c2[nH]cc(-c3cncc(N[C@@H]4CCC[C@@H](C4)NC(=O)N4CCCC4)n3)c2c1 |r|
Fc1cc(F)c2[nH]cc(-c3nncc(N[C@@H]4CCC[C@@H](C4)NC(=O)N4CCCC4)n3)c2c1 |r|
NC(=O)CC[C@H](NC(=O)CCCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
NCCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC(O)=O |r|
NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NCC(O)=O |r|
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1cnnc(n1)-c1c[nH]c2c(F)cc(F)cc12 |r,wU:3.2,wD:10.12,(-2.18,3.23,;-1.78,4.72,;-2.87,5.81,;-.3,5.12,;.1,6.6,;1.59,7,;2.68,5.91,;2.28,4.43,;2.02,5.36,;1.26,6.23,;.79,4.03,;.39,2.54,;1.43,1.4,;2.93,1.72,;3.96,.57,;3.49,-.89,;1.98,-1.21,;.95,-.07,;1.5,-2.68,;2.41,-3.92,;1.5,-5.17,;.04,-4.69,;-1.29,-5.46,;-1.29,-7,;-2.63,-4.69,;-2.63,-3.15,;-3.96,-2.38,;-1.29,-2.38,;.04,-3.15,)|
OC(=O)c1nc(nc(N[C@@H]2CCC[C@@H](C2)NC(=O)c2cnn[nH]2)c1F)-c1c[nH]c2c(F)cc(F)cc12 |r,$;;;;;;;;HN;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r|
Oc1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
Oc1c(-c2ccccc2)c2ccc(cc2[nH]c1=O)-c1ccc(F)cc1
Oc1c(-c2ccccc2)c2ccccc2[nH]c1=O
Oc1c(Br)c2ccc(cc2[nH]c1=O)-c1ccc(F)cc1
Oc1c(Br)c2ccccc2[nH]c1=O
Oc1cc2c(Br)cccc2[nH]c1=O
Oc1cc2cc(Br)ccc2[nH]c1=O
Oc1cc2cc(ccc2[nH]c1=O)-c1ccc(F)cc1
Oc1cc2ccc(Br)cc2[nH]c1=O
Oc1cc2ccc(cc2[nH]c1=O)-c1ccc(F)cc1
Oc1cc2cccc(-c3ccc(F)cc3)c2[nH]c1=O
Oc1cc2cccc(Br)c2[nH]c1=O
Oc1cc2ccccc2[nH]c1=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O |r|
[#6]-[#6](=O)-[#7]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
[H][C@@](CCCC)(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r,w:12.19|
[H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@@H](C[C@H]1N=C(N)N)C(O)=O |r|
[H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)C(NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O |r|
[H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])[C@@H](C)[C@H](C)CC[C@@]6(CC[C@@]54C)C(=O)NCCN4CCOCC4)C3(C)C)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:38|
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])[C@@H](C)[C@H](C)CC[C@@]6(CC[C@@]54C)C(=O)Nc4ccccc4OC)C3(C)C)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:38|
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCCCc1cn(Cc2cc(Cn3cc(CCCCNC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O)C(C)(C)[C@]7([H])CC[C@@]6(C)[C@]4(C)CC5)nn3)cc(Cn3cc(CCCCNC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O)C(C)(C)[C@]7([H])CC[C@@]6(C)[C@]4(C)CC5)nn3)c2)nn1 |r,t:15,73,127|
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCNC(=O)c1ccccc1O |r,t:15|
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r,t:15|
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NCCNC(=O)c3ccccc3O)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
[H][C@@]12C[C@@]([H])([C@@H](C)[C@@H](C1)NCc1sccc1C1CC1)C2(C)C |r|
[H][C@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
[H][C@](NC(C)=O)(C(CC)CC)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
[H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
[H][C@]1(OC(C[C@H](O)[C@H]1NC(C)=O)(OCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCCCCCCNC(=O)c1cc(cc(c1)C(=O)NCCCCCCNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CCCCOC1(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(=O)NCCCCCCNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CCCCOC1(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|