59
Candidates
{"N": 4, "O": 1, "P": 2}
Ground Truth
{"O": 1, "S": 1, "N": 2, "P": 2}
Top-1 Prediction
0.730
Match Score
#1
TOP-1
0.70 ± 0.40
CN(C)C1N=C([O][Ru+]<-[S]=1)c1ccco1
#1
TOP-1
0.63 ± 0.30
CN(C)C1N=C([O][Ru+]2(<-[S]=1)<-[n]1ccccc1-c1cccc[n]->21)c1ccco1
#1
TOP-1
0.73 ± 0.41
CN(C)C1N=C([O][Ru+]23(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)<-[P](CCCC[P]->3(c1ccccc1)c1ccccc1)(c1cccc...
#2
0.04 ± 0.07
CN(C)C(=S)[N]1->[Ru+][O]C=1c1ccco1
#2
0.01 ± 0.02
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1ccnc(-c4cccc[n]->24)[cH]->31)c1ccco1
#2
0.02 ± 0.03
CN(C)C1N=C([O][Ru+]2(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1c...
#3
0.00 ± 0.00
CN(C)C(=S)N=C([O][Ru+])c1ccco1
#3
0.01 ± 0.02
CN(C)C1N=C([O][Ru+]2(<-[S]=1)[CH]1C=NC(c3ccccn3)=C[CH]12)c1ccco1
#3
0.01 ± 0.01
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC=C([CH]13)P(CCCCP(c1ccccc1)c1cc...
#4
0.00 ± 0.00
CN(C)C(N=C([O-])c1ccco1)=[S]->[Ru+2]
#4
0.01 ± 0.01
CN(C)C1N=C([O][Ru+]2(<-[S]=1)<-[cH]1ccnc(-c3ccccn3)[cH]->21)c1ccco1
#4
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=C(P(CCCCP(c2ccccc2)c2ccccc2)c2ccc...
#5
0.00 ± 0.00
CN(C)C(=S)[N](->[Ru+2])=C([O-])c1ccco1
#5
0.00 ± 0.00
CN(C)C1N=C([O][Ru+](<-[S]=1)<-[n]1ccccc1-c1ccccn1)c1ccco1
#5
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC=C(P(CCCCP(c2ccccc2)c2ccccc2)c2cc...
#6
0.00 ± 0.00
CN(C)C(=S)N=C([O-]->[Ru+2])c1ccco1
#6
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1cnc(-c4cccc[n]->24)c[cH]->31)c1ccco1
#6
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC=C([CH]13)P(c1ccccc1)CCCCP(c1cc...
#7
0.00 ± 0.00
C[N](C)(->[Ru+2])C(=S)N=C([O-])c1ccco1
#7
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2(<-[S]=1)<-[cH]1cnc(-c3ccccn3)c[cH]->21)c1ccco1
#7
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC(=C[CH]13)P(CCCCP(c1ccccc1)c1cc...
#8
0.00 ± 0.00
CN(C)C(=S)N=C([O-])c1ccc[o]1->[Ru+2]
#8
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1cccnc1-c1ncc[cH]->2[cH]->31)c1ccco1
#8
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC(P(CCCCP(c2ccccc2)c2ccccc2)c2cccc...
#9
0.00 ± 0.00
CN(C)C(=S)N=C([O-])c1oc[cH]2->[Ru+2]<-[cH]12
#9
0.00 ± 0.00
CN(C)C1N=C([O][Ru+](<-[S]=1)<-[cH]1cccnc1-c1ccccn1)c1ccco1
#9
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC(=C[CH]13)P(c1ccccc1)CCCCP(c1cc...
#10
0.00 ± 0.00
CN(C)C(=S)N=C([O-])c1c[cH](->[Ru+2])co1
#10
0.00 ± 0.00
CN(C)C1N=C([O][Ru+](<-[S]=1)<-[cH]1ccc(-c2ccccn2)nc1)c1ccco1
#10
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC(=C[CH]13)P(CCCCP(c1ccccc1)c1cc...
#11
0.00 ± 0.00
CN(C)C(=S)N=C([O-])c1occ[cH]1->[Ru+2]
#11
0.00 ± 0.00
CN(C)C1N=C([O][Ru+](<-[S]=1)<-[cH]1ccnc(-c2ccccn2)c1)c1ccco1
#11
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)(<-[cH]1cccc(P(CCCCP(c4ccccc4)c4ccccc4)c4ccccc4)[cH]->21)<-[n]1ccccc1-...
#12
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1cccnc1-c1c[cH]->2[cH]->3cn1)c1ccco1
#12
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[cH]1cc(P(CCCCP(c6ccccc6)c6ccccc6)c6ccccc6)[cH]->2[cH]->3[cH]->41...
#13
0.00 ± 0.00
CN(C)C1N=C([O][Ru]23(<-[S]=1)<-[cH]1cnc(-c4ccccn4)[cH]->2[cH]->31)c1ccco1
#13
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2345(<-[S]=1)(<-[n]1ccccc1-c1cccc[n]->21)[CH]1C=CC(=C[CH]13)P(c1ccccc1)CCCCP(c1cc...
#14
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1ccc(-c4ncc[cH]->2[cH]->34)nc1)c1ccco1
#14
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccccc1P(CCCCP(c1ccccc1)c1ccc[cH]->2[cH]->31)c1ccccc1)<-[n]1cc...
#15
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1ccc(-c4c[cH]->2[cH]->3cn4)nc1)c1ccco1
#15
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccccc1P(CCCCP(c1ccccc1)c1ccccc1)c1ccc[cH]->2[cH]->31)<-[n]1cc...
#16
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1ccnc(-c4ncc[cH]->2[cH]->34)c1)c1ccco1
#16
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccccc1P(CCCCP(c1ccccc1)c1cc[cH]->2[cH]->3c1)c1ccccc1)<-[n]1cc...
#17
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)<-[cH]1ccnc(-c4c[cH]->2[cH]->3cn4)c1)c1ccco1
#17
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]23(<-[S]=1)(<-[cH]1ccc(P(CCCCP(c4ccccc4)c4ccccc4)c4ccccc4)c[cH]->21)<-[n]1ccccc1-...
#18
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccccc1P(CCCCP(c1ccccc1)c1ccccc1)c1cc[cH]->2[cH]->3c1)<-[n]1cc...
#19
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccc(P(CCCCP(c5ccccc5)c5ccc[cH]->2[cH]->35)c2ccccc2)cc1)<-[n]1...
#20
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccc(P(CCCCP(c5ccccc5)c5ccccc5)c5ccc[cH]->2[cH]->35)cc1)<-[n]1...
#21
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1cccc(P(CCCCP(c5ccccc5)c5ccc[cH]->2[cH]->35)c2ccccc2)c1)<-[n]1...
#22
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1cccc(P(CCCCP(c5ccccc5)c5ccccc5)c5ccc[cH]->2[cH]->35)c1)<-[n]1...
#23
0.00 ± 0.00
CN(C)C1N=C([O][Ru]234(<-[S]=1)(<-[cH]1ccc(P(CCCCP(c5ccccc5)c5ccccc5)c5ccccc5)[cH]->2[cH]->31)<-[n]1c...
#24
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccc(P(CCCCP(c5ccccc5)c5cc[cH]->2[cH]->3c5)c2ccccc2)cc1)<-[n]1...
#25
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1ccc(P(CCCCP(c5ccccc5)c5ccccc5)c5cc[cH]->2[cH]->3c5)cc1)<-[n]1...
#26
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2(<-[S]=1)(<-[cH]1ccccc1P(CCCCP(c1ccccc1)c1ccccc1)c1ccccc1)<-[n]1ccccc1-c1cccc[n]...
#27
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1cccc(P(CCCCP(c5ccccc5)c5cc[cH]->2[cH]->3c5)c2ccccc2)c1)<-[n]1...
#28
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]234(<-[S]=1)(<-[cH]1cccc(P(CCCCP(c5ccccc5)c5ccccc5)c5cc[cH]->2[cH]->3c5)c1)<-[n]1...
#29
0.00 ± 0.00
CN(C)C1N=C([O][Ru]234(<-[S]=1)(<-[cH]1cc(P(CCCCP(c5ccccc5)c5ccccc5)c5ccccc5)c[cH]->2[cH]->31)<-[n]1c...
#30
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2(<-[S]=1)(<-[cH]1ccc(P(CCCCP(c3ccccc3)c3ccccc3)c3ccccc3)cc1)<-[n]1ccccc1-c1cccc[...
#31
0.00 ± 0.00
CN(C)C1N=C([O][Ru+]2(<-[S]=1)(<-[cH]1cccc(P(CCCCP(c3ccccc3)c3ccccc3)c3ccccc3)c1)<-[n]1ccccc1-c1cccc[...