data_idx int64 0 99 | step_idx int64 0 20 | smiles stringlengths 2 4.97k |
|---|---|---|
95 | 5 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 6 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 7 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 8 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 9 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 10 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 11 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 12 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 13 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 14 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 15 | CC.CCCNC(=O)C(C)C1=CCOC=C1.CF.NC(=O)NC(O)NPO |
95 | 16 | CCCNC(=O)C(C)C1=CCOC=C1.CF.CN.NC(=O)NC(O)NPO |
95 | 17 | CCCNC(=O)C(C)C1=CCOC=C1.CF.CN.NC(=O)NC(O)NPO |
95 | 18 | CCCNC(=O)C(C)C1=CCOC=C1.CF.CN.NC(=O)NC(O)NPO |
95 | 19 | CCCNC(=O)C(C)C1=CCOC=C1.CF.CN.NC(=O)SC(O)NPO |
95 | 20 | CCCNC(=O)C(C)C1=CCOC=C1.CF.CN.NC(=O)SC(O)NPO |
96 | 0 | C.CC=CS(C)(=O)=O.CCC1=CC(C)PN=C1C[O+](C)CC |
96 | 1 | C.CC=CS(C)(=O)=O.CCC1=CC(C)PN=C1C[O+](C)CC |
96 | 2 | C.CC=CS(C)(=O)=O.CCC1=CC(C)PN=C1C[O+](C)CC |
96 | 3 | C.CC=CS(C)(=O)=O.CCC1=CC(C)PN=C1C[O+](C)CC |
96 | 4 | C.CC=CS(C)(=O)=O.CCC1=CC(C)CN=C1C[O+](C)CC |
96 | 5 | C.CC=CS(C)(=O)=O.CC[O+](O)CC1=CCC(C)C=C1CO |
96 | 6 | C.CC=CS(C)(=O)=O.CC[O+](O)CC1=CCC(C)C=C1CO |
96 | 7 | C.CC=CS(C)(=O)=O.CC[O+](O)CC1=CCC(C)C=C1NO |
96 | 8 | CC[O+](O)CC1=CCC(C)C=C1NOC(C)CC=CS(C)(=O)=O |
96 | 9 | CC[O+](O)CC1=CCC(C)C=C1NOC(C)CC=CS(C)(=O)=O |
96 | 10 | CC[O+](O)CC1=CCC(C)C=C1NOC(C)CC=CS(C)(=O)=O |
96 | 11 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 12 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 13 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 14 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 15 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 16 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 17 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 18 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 19 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
96 | 20 | CC[O+](O)CC1=CCC(C)C=C1COC(C)CC=CS(C)(=O)=O |
97 | 0 | CC=CN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 1 | CC=CN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 2 | CC=CN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 3 | CC=CN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 4 | CC=CN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 5 | CC=CN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 6 | CC=CN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 7 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 8 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 9 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 10 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 11 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 12 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 13 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 14 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 15 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 16 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 17 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 18 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 19 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
97 | 20 | CC=NN1=C(C(S)=CC=O)CC=C23CC(C)CC2NCC(C)N(C)COC13=O |
98 | 0 | COC1(C=CCN=[SH]CC2=CC(CC=CC(C)C)NCC2=O)=CON[IH2]1C |
98 | 1 | COC1(C=CCN=[SH]CC2=CC(CC=CC(C)C)NCC2=O)=CON[IH2]1C |
98 | 2 | COC1(C=CCN=NCC2=CC(CC=CC(C)C)NCC2=O)=CON[IH2]1C |
98 | 3 | COC1(C=CCN=NCC2=[SH]C(CC=CC(C)C)NCC2=O)=CON[IH2]1C |
98 | 4 | COC1(C=CCN=NCC2=[SH]C(CC=CC(C)C)NCC2=O)=CON[IH2]1C |
98 | 5 | COC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=CON[IH2]1C |
98 | 6 | COC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=CON[IH2]1C |
98 | 7 | COC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 8 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 9 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 10 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 11 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 12 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 13 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 14 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 15 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 16 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 17 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 18 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 19 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
98 | 20 | CCC1(C=CCN=NCC2=NC(CC=CC(C)C)NCC2=O)=COC[IH2]1C |
99 | 0 | CC.CC1=C(F)NNCCCC(=CC(C)C)C(CCl)OC1C |
99 | 1 | CC.CC1=C(F)NNCCCC(=CC(C)C)C(NCl)CN1C |
99 | 2 | CC.CC1=C(F)NNCCCC(=CC(C)C)C(NF)CC1C |
99 | 3 | CC.CC1=C(F)NNCCCC(=CC(C)C)C(NF)CC1C |
99 | 4 | CC.CNN1CC(C)C(C)=C(F)NNCCNC1=CC(C)C |
99 | 5 | CBrN1CC(C)C(C)=C(F)NNCCNC1=CC(C)C.CC |
99 | 6 | CBrN1CC(C)C(C)=C(F)NNCSNC1=CC(C)C.CC |
99 | 7 | CBrN1CC(C)C(C)=C(F)NNCSNC1=CC(C)C.CC |
99 | 8 | CBrN1CC(C)C(C)=C(F)NNCSNC1=CC(C)C.CC |
99 | 9 | CC.CNN1CC(C)C(C)=C(F)NNCSNC1=CC(C)C |
99 | 10 | CC.CNN1CC(C)C(C)=C(F)NNCSNC1=CC(C)C |
99 | 11 | CC.CNC1CC(C)C(C)=C(F)NNCCNC1=CC(C)C |
99 | 12 | CC.CNC1CC(C)C(C)=C(F)NNCCNC1=CC(C)C |
99 | 13 | CC.CNC1CC(C)C(C)=C(F)NNCCNC1=CC(C)C |
99 | 14 | CC.CNC1CC(C)C(C)=C(F)NNCCNC1=CC(C)C |
99 | 15 | CC.CNC1CC(C)C(C)=C(F)NNCCCC1=CC(C)C |
99 | 16 | CC.CNC1CN(C)C(C)=C(F)NNCCCC1=CC(C)C |
99 | 17 | CC.CNC1CN(C)C(C)=C(F)NNCCCC1=CC(C)C |
99 | 18 | CC.CNC1CN(C)C(C)=C(F)NNCCCC1=CC(C)C |
99 | 19 | CC.CNC1CN(C)C(C)=C(F)NNCCCC1=CC(C)C |
99 | 20 | CC.CNC1CN(C)C(C)=C(F)NNCCCC1=CC(C)C |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.