3
Candidates
{"N": 6}
Ground Truth
{"N": 9}
Top-1 Prediction
0.667
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.20 ± 0.00
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#1
TOP-1
0.99 ± 0.01
O=C(Nc1cc2ccc[n]3->[Ru+2]<-[n]4cccc1c4c23)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#1
TOP-1
0.23 ± 0.35
O=C(Nc1cc2ccc[n]3->[Ru+2]456(<-[n]7cccc1c7c23)[CH]1C=C(c2ccnc3c2ccc2c(-c7ccccc7)ccnc23)[CH]4[CH]5[CH...
#1
TOP-1
0.15 ± 0.23
O=C(Nc1cc2ccc[n]3->[Ru+2]4567(<-[n]8cccc1c8c23)(<-[n]1ccc(-c2ccccc2)c2ccc3c(-c8ccccc8)cc[n]->4c3c21)...
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.04 ± 0.00
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.05 ± 0.04
O=C(Nc1cc2cccnc2c2c1ccc[n]2->[Ru+2])c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1
#2
0.22 ± 0.44
O=C(Nc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)<-[n]1ccc(-c2ccccc2)c2ccc3c(-c5ccccc5)cc[n]->4c3c21)c1cc...
#2
0.04 ± 0.03
O=C(Nc1cc2ccc[n]3->[Ru+2]456(<-[n]7ccc(-c8ccccc8)c8ccc9c(-c%10ccccc%10)ccnc9c87)(<-[n]7cccc1c7c23)[C...
#3
0.01 ± 0.00
O=C1Nc2cc3ccc[n](->[Ru+2]4(<-[n]5c1cc1c([nH]c6ccccc61)c5-c1ccccc1)<-[n]1ccc(-c5ccccc5)c5ccc6c(-c7ccc...
#3
0.01 ± 0.00
O=C1Nc2cc3ccc[n](->[Ru+2]4(<-[n]5c1cc1c([nH]c6ccccc61)c5-c1ccccc1)<-[n]1ccc(-c5ccccc5)c5ccc6c(-c7ccc...
#3
0.01 ± 0.00
O=C1Nc2cc3ccc[n](->[Ru+2]4(<-[n]5c1cc1c([nH]c6ccccc61)c5-c1ccccc1)<-[n]1ccc(-c5ccccc5)c5ccc6c(-c7ccc...
#3
0.01 ± 0.00
O=C1Nc2cc3ccc[n](->[Ru+2]4(<-[n]5c1cc1c([nH]c6ccccc61)c5-c1ccccc1)<-[n]1ccc(-c5ccccc5)c5ccc6c(-c7ccc...
#3
0.01 ± 0.00
O=C1Nc2cc3ccc[n](->[Ru+2]4(<-[n]5c1cc1c([nH]c6ccccc61)c5-c1ccccc1)<-[n]1ccc(-c5ccccc5)c5ccc6c(-c7ccc...
#3
0.01 ± 0.00
O=C1Nc2cc3ccc[n](->[Ru+2]4(<-[n]5c1cc1c([nH]c6ccccc61)c5-c1ccccc1)<-[n]1ccc(-c5ccccc5)c5ccc6c(-c7ccc...