image_id stringlengths 1 32 | image imagewidth (px) 61 3.28k | SMILES stringlengths 4 251 |
|---|---|---|
ol300353w-Scheme-c6-21 | [R][C@]([H])([C@@]([H])(C1([H])[H])C)OC(O1)(C)C | |
op0340816-Figure-c1-10 | FC1=CC=C(C(F)=C1Cl)S(=O)(F)=O | |
acs.joc.5b00632-Scheme-c6-10 | O=C(O)C=C1CN([C@H](C(=O)O)c2ccccc2Cl)CCC1S | |
acs.joc.5b02382-Scheme-c3-27 | C=C1CN=C(c2ccccc2)O1 | |
jo9519672-Scheme-c1-5 | O=C1CCCC(CSC2=CC=CC=C2)=C1 | |
ja206047h-Table-c1-4 | C[C@@H](C(=O)N1CCOC1=O)c1ccccc1 | |
op7002826-Scheme-c2-3 | CCOC(=O)c1c[nH]cc1-c1cccc2ccccc12 | |
acs.orglett.5b01328-Scheme-c1-8 | C[C@@H]1N([C@@]2(C)[C@H](O)C1)C(NC(/C=C(C)\C)=O)=CC2=O | |
ol051488h-Table-c1-15 | [2*]C([3*])N1CCC[C@H]1[C@@H]1CCCN1 | |
acs.orglett.5b01754-Scheme-c1-18 | [R]Oc1c([M])cc2ccccc2c1-c1c(O[R])c([M])cc2ccccc12 | |
acs.orglett.5b02743-Scheme-c2-15 | CC(C)(C)S(=O)Nc1ccccc1 | |
jo000585f-Scheme-c15-0 | [2H][C@@](P(=O)(OCC)OCC)(NC(=O)OC(C)(C)C)c1ccccc1 | |
ol801498u-Figure-c1-1 | CC(O[R])=O | |
jo982024i-Scheme-c3-6 | [R]OCC1=C[C@H](N[R])[C@H](O[R])[C@@H](O[R])[C@@H]1O[R] | |
jo000585f-Scheme-c16-7 | [2H][C@@](P(=O)(OCC)OCC)(N)c1ccccc1 | |
op3000042-Scheme-c2-10 | C=C(C)C | |
op0602371-Scheme-c5-12 | c1ccc([C@@H](CN2CCCCC2)NCCCN[C@@H](CN2CCCCC2)c2ccccc2)cc1 | |
ol802297h-Scheme-c3-14 | CC1=CC(=O)OC(C)(C)O1 | |
ol020229e-Scheme-c3-10 | CC1(C)O[C@@H]2CO[C@@]3(CN([Ar])C(=O)O3)C(=O)[C@@H]2O1 | |
ol049640n-Scheme-c1-14 | *[C@@H](C=CC(=O)OCC)N(Cc1ccccc1)C(=O)/C=C/C(C)=N/O | |
jo402399n-Scheme-c1-7 | C=CCOC1OC(COCc2ccccc2)[C@H](O)[C@H](OCc2ccccc2)[C@H]1O | |
op300235t-Scheme-c3-5 | CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C(=O)OC(C)(C)C)C3)n(C)c2n1 | |
acs.oprd.5b00371-Scheme-c5-0 | O=C1OCc2ccccc2/C1=C\O | |
op300235t-Scheme-c3-6 | CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2ncn(C)c2n1 | |
op200174k-Figure-c1-4 | [2*]CN | |
acs.orglett.5b01754-Scheme-c1-8 | [X]C(C=C1C=CC=CC1=C2C3=C(C([X])=CC4=C3C=CC=C4)O[R])=C2O[R] | |
op300128c-Scheme-c9-5 | Cc1nc(C(=O)c2cnn(C)c2)no1 | |
ol401443a-Table-c1-5 | CC(OOC(N=[N+]=[N-])C1=CC=CC=C1)(C)C | |
op000070q-Scheme-c1-2 | CC(C(C(C1=CC=CC=C1)C[N+]([O-])=O)C(O[R])=O)=O | |
op990044w-Scheme-c4-1 | O=C(/C=C/C1=C(C=CC=C2)N2N=C1C3=CC=CC=C3)N4CCCC[C@@H]4CCO[R] | |
jo961049j-Scheme-c1-16 | C=COCC#CC(C=CC=C1)=C1C#CCC/C=C/C(OC)=O | |
jo9919409-Scheme-c2-0 | C[Si](O[C@H]([C@H](C(OCC)=O)O[Si](C)(C)C)C(OCC)=O)(C)C | |
ja410533y-Table-c4-6 | O=C(C(C1=C2C=CC=C1)O)N2CC3=CC=CC=C3 | |
ol016693l-Scheme-c1-8 | ClC1=CC2=C(C=CN2C(OCC3=CC=CC=C3)=O)C=C1 | |
op800270e-Scheme-c4-0 | ClC(C=C1)=CC=C1C/C(C2=CC(C#N)=CC=C2)=C(C)/OS(C3=CC=C(C=C3)C)(=O)=O | |
ja963704a-Scheme-c2-0 | Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CC(C)C)c2cc1C | |
jo961049j-Scheme-c1-14 | [H]C#Cc1ccccc1C#CCOC=C | |
ol100073y-Scheme-c1-31 | C[C@@H](C(OC)=O)[C@H](NS(C1=CC=C(C)C=C1)(=O)=O)C2=CC=C([X])C=C2 | |
acs.joc.5b01703-Scheme-c2-0 | C#CC(C=C1)=CC=C1OC.O=CCC(C=C2)=CC=C2OCC3=CC=CC=C3.C=CCNC | |
op0255579-Scheme-c1-0 | *c1noc(=O)[nH]1 | |
ol503618m-Scheme-c3-5 | C1(C#CC2=CC=CC=C2)=CC=CC=C1 | |
ol501422k-Scheme-c2-4 | [H]Cc1ccnc2ccccc12 | |
acs.orglett.5b01837-Scheme-c4-3 | CC(=O)N1CCN(c2ccc(O)cc2)CC1 | |
jo401195c-Figure-c6-1 | OCC1CO1 | |
jo0157425-Scheme-c1-6 | Nc1cccc(CN2CCC(N)CC2)n1 | |
ja0171299-Scheme-c5-4 | CCOC(C1=CC(S[P])=CC=C1)=O | |
acs.oprd.6b00180-Table-c5-1 | OB(C1=CC=CC=C1)O | |
ol503618m-Scheme-c3-7 | O=C(NCC1=CC=CC=C1)N2C(C=CC=C3)=C3C(C)=C2 | |
ol1030487-Table-c2-9 | C=C(C(OCC)=O)C(C1=CC=CC=C1)C[N+]([O-])=O | |
ja0516864-Table-c1-0 | [H][Si](CCC[Si](Cl)(C)C)(C)C | |
jo981397g-Scheme-c3-0 | [N-]=[N+]=C(C1=CC=CC2=CC=CC=C12)C3=CC=CC4=CC=CC=C34 | |
ol401443a-Table-c1-8 | [H]C(=O)c1ccccc1 | |
op030202q-Scheme-c7-7 | O[C@@H](C(OC)=O)CC1=CC=CC=C1 | |
ja030261j-Scheme-c2-5 | [2H]C([2H])(O)c1c[nH+]c(C([2H])([2H])O)c(O)c1CO | |
ol502842f-Scheme-c3-12 | C=CCC1(N(C(C2=C1C=CC([X])=C2)=O)[PMP])[H] | |
ol300353w-Scheme-c6-11 | CC(C)C[C@H]1OC(C)(C)OC[C@H]1C | |
op050182n-Figure-c1-0 | O[S](O1)N(S(C2=CC=C(C)C=C2)(=O)=O)[C@H]3[C@@H]1CC4=C3C=CC=C4 | |
op200174k-Figure-c1-8 | [R1]/C([H])=N/C[R2] | |
ol501019y-Scheme-c1-3 | *c1ccsc1-c1sccc1* | |
acs.orglett.5b01710-Scheme-c4-2 | N[C@H](C(=O)N[PIP])[C@@H](F)c1ccccc1 | |
acs.oprd.5b00371-Scheme-c5-3 | O=C(OCC1=C/2C=CC=C1)C2=C\OC | |
ja016495p-Scheme-c1-2 | COc1ccc2c(c1OC)SSSSS2 | |
jo980755c-Scheme-c3-5 | [R2]C1(O[Ru]C1([Ar])[R3])[R1] | |
ol048273c-Figure-c2-35 | [H]C(CCCCO[Si](C)(C)C(C)(C)C)=O | |
ol400025a-Scheme-c2-1 | C/C([N+]([O-])=O)=C\C1=C(O/C=C/C(OCC)=O)C=CC=C1 | |
jo500696n-Scheme-c1-9 | [R1]C1=CC(C=CC2=CC=C3C=CC=CC3=[N+]24)=C4C=C1[R2].Cl(=O)(=O)(=O)[O-] | |
ja801576v-Scheme-c3-10 | [H][C@@]1(O[C@@]2([H])CC[C@@]3(C)O[C@@]4([H])C[C@@]5([H])O[C@]([H])(C(CC[C@]5([H])O[C@]4([H])C[C@]3([H])O[C@]2([H])C[C@]1([H])O6)=O)C[C@@]7([H])O[C@]([H])([C@@]([H])(C[C@@H]7OCC8=CC=C(OC)C=C8)OCC9=CC=CC=C9)CCOCC%10=CC=CC=C%10)CO[Si]6(C(C)(C)C)C(C)(C)C | |
ol060473w-Scheme-c2-14 | *N(C(=O)c1ccccc1)c1ccc2ccccc2n1 | |
jo401608v-Scheme-c8-6 | [R1]P1(C(C=CC=C2)=C2[Ru]([L])O1)=O | |
op800136f-Figure-c2-0 | CN1CC[N+](CC2=C(C=C(C=C2)NC(OC3=CC=CC=C3)=O)C(F)(F)F)(CC1)[H].[Cl-] | |
ja070950l-Scheme-c1-2 | IC(F)(C(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)(F)F)F | |
ol034434l-Table-c1-2 | [H]N(Cc1ccccc1)Cc1ccccc1 | |
ol060868f-Scheme-c3-0 | C=C(O[Si](C)(C)C(C)(C)C)OCC | |
acs.oprd.6b00117-Table-c2-4 | [O-][N+]1=C2C=CC=CC2=CC=C1 | |
op2001047-Table-c3-1 | [Ar]/C=C/C(C)=O | |
acs.oprd.5b00370-Scheme-c2-1 | [H][C@@]12OC3=C(C=CC4=C3[C@]1(CCN5C)[C@@]([H])(C([H])C=C2OC)[C@H]5C4)OC | |
jo991681n-Scheme-c4-8 | [H][C@]1(O[C@@]([H])([C@H]([R])C=C1)C(O[C@@H](C)[C@]2([H])O[C@@]([H])([C@H]([R])C=C2)C(=O)OCC(Cl)(Cl)Cl)=O)[C@@H](O[R'])C | |
op7002826-Table-c1-2 | *C=O | |
acs.joc.5b02382-Scheme-c3-11 | C(=CC(Cc1cnc(-c2ccccc2)o1)c1ccccc1)c1ccccc1 | |
op500063g-Scheme-c3-0 | C#CC(=O)OCC | |
op200005e-Scheme-c3-10 | CCOC(=O)c1ccc(Cl)nc1 | |
op200019k-Scheme-c5-0 | CC(C)(C)OCC(=O)CF | |
jacs.5b07904-Scheme-c3-3 | [R]C(C[C@H](C)[R'])=O | |
ol060473w-Scheme-c2-5 | O=C(ON1C2C=CC3=CC=CC=C13)N2C(C4=CC=CC=C4)=O | |
op060118l-Scheme-c2-1 | CN(C)CC[C@H](O)c1cccs1 | |
op900269y-Scheme-c2-0 | [R1]C1=C(C=C(C=C1)NN)[R2] | |
jo001614p-Scheme-c2-2 | [H]C1=CC=C2C=CC=CC2=C1C3=C(P(=O)([Ar])[Ar])C=CC4=CC=CC=C34 | |
op500063g-Scheme-c3-2 | Cl.[H]ON([H])[H] | |
ol0487783-Scheme-c2-7 | C=C(CC1(CC1)[C@@H](NP(C2=CC=CC=C2)(C3=CC=CC=C3)=O)[C@@H]4C(C4)[R])[Ar] | |
ol401443a-Scheme-c5-11 | [H]C(C1=CC=CC(OC2CCCC2)=C1)(N=[N+]=[N-])OOC(C)(C)C | |
op300209p-Scheme-c2-4 | BrC1=CC=C(O)C([N+]#N)=C1.[Cl-] | |
ol048273c-Figure-c2-25 | [H]C(=O)CCC=C | |
jo001614p-Scheme-c7-0 | C=CCc1ccccc1C=C | |
acs.orglett.6b00326-Scheme-c4-19 | C=[N+](C)c1ccccc1 | |
op300209p-Scheme-c2-7 | Cc1ccnn1-c1cc(Br)ccc1O | |
acs.orglett.5b03590-Table-c2-1 | C=C1C(C)=NNC(=O)N1c1ccc(OC)cc1 | |
op030202q-Scheme-c4-7 | N#CC(O)Cc1ccccc1 | |
acs.joc.5b02057-Scheme-c8-6 | Cc1ccc(S(=O)(=O)N(C)C#CCc2ccccc2)cc1 | |
jo9816515-Scheme-c4-13 | CC1=NNC([R2])=C(C(OCC)=O)C1([R1])[H] | |
ol800523j-Scheme-c3-3 | C#CCOC(C1=CC=CC=C1)=O |
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