data_idx int64 0 99 | step_idx int64 0 20 | smiles stringlengths 2 4.97k |
|---|---|---|
90 | 10 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 11 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 12 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 13 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 14 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 15 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 16 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 17 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 18 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 19 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
90 | 20 | CCC(C)O1C2C(=O)NC=CC(C)(C(N)=CC=C2CCCCNP)C1(C)=O |
91 | 0 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 1 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 2 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 3 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 4 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 5 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 6 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 7 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 8 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 9 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 10 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 11 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 12 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 13 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 14 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 15 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 16 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 17 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 18 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 19 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
91 | 20 | CC(=O)N1C=C2C(=CC(C)CCC3(C=O)=CNN(F)C=CN=C3C#N)C21 |
92 | 0 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 1 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 2 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 3 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 4 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 5 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 6 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 7 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 8 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 9 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 10 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 11 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 12 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 13 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 14 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 15 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 16 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 17 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 18 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 19 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
92 | 20 | CCC1CC2CC=CCC(=CCC(C)N2)C=NC(=O)OCC1O.CF.CO |
93 | 0 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 1 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 2 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 3 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 4 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 5 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 6 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 7 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 8 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 9 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 10 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 11 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 12 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 13 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 14 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 15 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 16 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 17 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 18 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 19 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
93 | 20 | CCN(C)C1C2=NC3C=CC(N)PCC34=CC3(O)C=N4SC3N2C=CN1C |
94 | 0 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 1 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 2 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 3 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 4 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 5 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 6 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 7 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 8 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 9 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 10 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 11 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 12 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 13 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 14 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 15 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 16 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 17 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 18 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 19 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
94 | 20 | CCCC(C)C=C[SH]1(=O)CCOCC=C2CC(=CCN2Cl)CC1=O |
95 | 0 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 1 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 2 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 3 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 4 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.