product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
c1cc(ccc1CCCOCc2ccccc2)CBr | 0 |
C[Si](C)(C)OC(CC#C)(CCC)CCCC | 1 |
c1(nc(-c2nc(CCC)ccc2)nc(c1)C)OCC#C | 2 |
C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O | 3 |
c1cc(ccc1C(C)(C)C#C)F | 4 |
C12CC3(CC(CC(C1)(C#C)C3)C2)NC(c4cccc(Cl)c4)=O | 5 |
c1cc(ccc1C#Cc2cc(CCCC#N)c(F)cc2)OC(F)F | 6 |
c1cc(ccc1C#Cc2cccc(N)n2)C(OCC)=O | 7 |
c1cc(ccc1C#Cc2c([N+]([O-])=O)cccn2)CCC(=O)OC | 8 |
C[Si](C)(C)C#Cc1ccc(cc1)N(CCCC)CCCC | 9 |
C[Si](C)(C)C#Cc1cc(OC(C)c2c(ccc(F)c2Cl)Cl)c(nc1)N | 10 |
C1CC1C(c2ccc(cc2)Cl)=C(C=O)F | 11 |
FC(F)(F)C(F)(F)CCNC(C(C)(F)C(NC1C(N(c2c(-c3c1cccc3)cccc2)CC4CC4)=O)=O)=O | 12 |
c1ncncc1Cn2nc(-c3nc(c(nn3)C(C)(C)C(=O)OC)O)c4cc(cnc24)F | 13 |
O=C(OCC)C(C(=O)OCC)C(=O)c1cc(F)c(cc1Br)F | 14 |
CC(C)(C)OC(N1CC2(C1)CC(C2)OS(=O)(=O)C)=O | 15 |
C1N(CC1C(Nc2ccccc2N)=O)c3cc(nc(C)n3)-n4nc(nc4C)C | 16 |
O=S(=O)(c1ccc2c(CCCC2Cl)c1)c3ccccc3 | 17 |
CC(C)(C)OC(N1CC(CC1)NC(=O)COCCBr)=O | 18 |
c1cc(ccc1C#N)CCCBr | 19 |
c1cc(ccc1C(Nc2c(cc(cc2)Cl)C(Nc3ncc(cc3)Cl)=O)=O)S(=O)(=NCCBr)C | 19 |
N1(C(=O)C)c2cc(C)cc(C)c2C(C1)CCBr | 20 |
O=C1Nc2c(cccc2)C(C1)CCCl | 21 |
O=C1Nc2c(cccc2)C(C1)CCCl | 22 |
CC(C)(C)OC(=O)N1CC(c2ccccc2)CC1COC | 23 |
CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2 | 24 |
CC(C)(C)OC(=O)N1CC(CC1CO)c2ccccc2 | 25 |
CC(C)(CO)c1ccc(cc1)F | 25 |
O=C1Nc2c(cccc2)C(CCO)C1 | 25 |
C1CC(CCC1)=CCCCCCO | 26 |
c1(CCO)ccc([N+]([O-])=O)cc1Cl | 26 |
C(O)CC1n2c(cc(I)c2)C(NC1)=O | 27 |
c1cc(ccc1)C(c2ccccc2)CO | 28 |
O=S(=O)(OCCC1n2cc(I)cc2C(=O)NC1)C | 29 |
CC(C)(C)OC(N1CC(c2ccccc2)CC1COS(=O)(=O)C)=O | 30 |
C1CC(CCC1COS(=O)(=O)C)C(OCCCC)=O | 31 |
c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C | 32 |
c1cc(ccc1)C(c2ccccc2)COS(=O)(=O)C | 33 |
O=S(=O)(C)OCC(c1ccc(Cl)c(c1)Cl)CCOC2OCCCC2 | 34 |
c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(CCOS(=O)(=O)C)nc4 | 35 |
O=S(=O)(C)OCCCc1ccc(cc1)Br | 36 |
C(=O)Cc1ccc([N+]([O-])=O)cc1Cl | 37 |
c1cc(ccc1F)C(C)(C)C=O | 38 |
C(=O)Cc1ccc([N+]([O-])=O)cc1Cl | 39 |
CC(C)(C)OC(=O)NCC(C=O)C | 40 |
C1C2CC3(CC(CC1(NC(c4cccc(Cl)c4)=O)C3)C2)C=O | 41 |
c1cc(ccc1F)C(C)(C)C=O | 42 |
c1ccccc1[Si](c2ccccc2)(N3C(=O)CC3C=O)C(C)(C)C | 43 |
c1cc(ccc1C2C(C2)CCO)Br | 44 |
c1cc(ccc1C2C(C2)CCO)Br | 45 |
c1cc(ccc1CCC(OCC)=O)C#N | 46 |
c1cc(ccc1C#N)CCCO | 47 |
c1cc(ccc1N2C(=O)C(COS(=O)(=O)C)CC2)Cl | 48 |
c1cc(ccc1Cl)Oc2cc(CCC)c(C(=O)COc3ccc(cc3)OC)cc2 | 49 |
c1(C=CCO)c(cccc1)Br | 50 |
CC(C)(C)c1nnc(NC(N(C(C)C=O)C)=O)s1 | 51 |
C1CN(CCC1N2C(C(CC2)Oc3cc(F)c(S(=O)(=O)C)cc3F)=O)C#N | 52 |
C1(C(CCC(=O)N1)N2C(c3c(cccc3C2=O)OCc4cc5c(OCO5)cc4)=O)=O | 53 |
N(C(C)=O)C1C(=O)NC(C(NC(CC(C)CCCCCCC1)C(O)CC(C)C(NCCCC)=O)=O)C | 54 |
C1CC(CCN1OC)(C(OC)=O)NC(=O)Cc2c(C)cc(F)c(c2)Br | 55 |
C(C)C(CC)(C(NC)=O)NC(=O)c1ccc(OC)c(-c2cc(ccc2)Cl)n1 | 56 |
CC(C)(C)C(NC(c1ccc(cc1)-c2nn3c(C4(CC4)c5ccc6c(cccn6)c5)nnc3nc2)=O)C(=O)OC(C)(C)C | 57 |
CC(C)(C)OC(NC1CCC2CN(CC12)Cc3ccccc3)=O | 58 |
CC(C)(C)OC(NCC(c1cc2cc[nH]c2cc1)c3ccccc3)=O | 59 |
C1CC(CCN1CC(O)COc2nccnc2Cl)N3CCN(c4ccccc4)C3=O | 60 |
c1ccccc1Oc2cnc(cc2)CO | 61 |
C1C(C(c2ccc(cc2Cl)F)O)C1C#N | 62 |
C1C(C(c2ccc(cc2Cl)F)O)C1C#N | 63 |
N#CC1CC1C(c2ccc(cc2Cl)F)=O | 64 |
c1cc(ccc1)C(Cc2cc(ccc2)C)=O | 65 |
c1cc(ccc1)C(=O)c2c(N)ccc(c2)F | 66 |
c1cc(ccc1CO)CCCOCc2ccccc2 | 67 |
O=S(=O)(c1ccc(cc1)Br)n2c3ccccc3cc2C=O | 68 |
[nH]1c(C=O)cc2c1cccc2 | 68 |
C1(N2C(CCC2)c3n(-c4ccccc14)cnc3C=O)=O | 69 |
COc1c(cc(cc1)C(=O)c2ccc(c(c2)OCC)OC)[N+](=O)[O-] | 70 |
CC(C)(C)C(=O)Oc1cccc(CBr)c1 | 71 |
c1c(Cl)c(c(cc1OCc2ccccc2)Cl)CBr | 72 |
[N+](c1cc(CBr)cc(Br)c1)([O-])=O | 73 |
C(c1cc2c(cc1)cc(F)cc2)Br | 74 |
c1ccccc1C(F)(F)C(F)(F)c2ccccc2CBr | 75 |
CC(C)N1C(c2cc(ccc2C(=N1)Br)CBr)=O | 76 |
c1(OC)cc(CBr)cc(Br)c1 | 77 |
C1CC1c2cccc(c2CCl)F | 78 |
COc1cc2c(ccnc2cc1)CCl | 79 |
FC1(F)Oc2c(ccc(CCl)c2)O1 | 80 |
FC(F)(F)c1cc(ccc1CC2CCCCC2)CCl | 81 |
FC(F)c1nn(c(c1)C(F)F)CC(=O)N2CCC(CC2)c3nc(cs3)C=4CC(ON=4)c5c(CCl)cccc5 | 82 |
c12c(cc(CO)c(c1)OC)cc(cc2)Br | 83 |
c1c(ccc([N+]([O-])=O)c1CO)C(=O)OC | 84 |
c1c(cc(C)c2Cc3c(cccc3C)-c12)C | 85 |
Clc1ccc(c(C=O)c1)Sc2cccs2 | 86 |
c1c(C=O)cc2cc(c(OC)c(c2c1)OC)OC | 86 |
c12c(cc(c(c1)OC)C=O)cc(cc2)Br | 87 |
O=Cc1ccc([N+]([O-])=O)cc1F | 88 |
c1(C=O)cc2nn[nH]c2cc1 | 89 |
c1cc(ccc1C=O)-c2cnco2 | 89 |
c1ccccc1CCCCC#Cc2ccc(C=O)cc2F | 90 |
O=Cc1cc(ccc1[N+]([O-])=O)C(=O)OC | 91 |
c12c(cc(c(c1)OC)C=O)cc(cc2)Br | 92 |
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