id
stringlengths 36
36
| task
stringclasses 3
values | question
stringlengths 104
613
| src_smiles
stringlengths 8
519
| ref_smiles
stringlengths 8
515
| add_group
stringclasses 9
values | remove_group
stringclasses 10
values |
|---|---|---|---|---|---|---|
6b4967c0-e7df-4949-b586-27e8b3b8c542
|
delete
|
Please remove a amide from the molecule C=CC(C)(C)C1(CC(=O)[O-])C(=O)N(CC=C(C)C)c2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC(C)(C)C1(CC(=O)[O-])C(=O)N(CC=C(C)C)c2ccccc21.
|
C=CC(C)(C)C(C(=O)[O-])C(C=C(C)C)c1ccccc1
| null |
amide
|
29bfed9f-c81f-49f8-b2f9-6de07df92595
|
delete
|
Please remove a halo from the molecule CCC[NH2+]C(Cc1ccc(C)cc1)c1ncc(Cl)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(Cc1ccc(C)cc1)c1ncc(Cl)cc1Cl.
|
CCC[NH2+]C(Cc1ccc(C)cc1)c1ccc(Cl)cn1
| null |
halo
|
efe08b26-40f8-4f8e-9572-edc3eaa57ba7
|
delete
|
Modify the molecule CC(C)(C)C1=CC(C2=CCC(c3ccc(O)cc3)CC2)=CC(C)(C(C)(C)C)C1O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C1=CC(C2=CCC(c3ccc(O)cc3)CC2)=CC(C)(C(C)(C)C)C1O
|
CC(C)(C)C1=CC(C2=CCC(O)CC2)=CC(C)(C(C)(C)C)C1O
| null |
benzene
|
19a09269-2dd4-40f9-9833-d0818915ad0e
|
delete
|
Please remove a amide from the molecule CCC1SC(=S)N(CC(=O)NC(C)C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1SC(=S)N(CC(=O)NC(C)C)C1=O.
|
CCSC(=S)CC(=O)NC(C)C
| null |
amide
|
22dfe170-7fd3-4daa-8a23-3d2698acbf40
|
delete
|
Modify the molecule Cc1ccsc1CNC(=O)CCCNC(=O)C(C)(C)C by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccsc1CNC(=O)CCCNC(=O)C(C)(C)C
|
Cc1ccsc1CCCNC(=O)C(C)(C)C
| null |
amide
|
d08dc5d1-b36c-498a-a283-2acf4548c9b0
|
delete
|
Modify the molecule N#CCc1cc2ccc(Br)c([N+](=O)[O-])c2s1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCc1cc2ccc(Br)c([N+](=O)[O-])c2s1
|
N#CCc1cc2cccc([N+](=O)[O-])c2s1
| null |
halo
|
925d3539-9484-41e9-9c80-4f2953e3fde3
|
delete
|
Modify the molecule C=CC(=CC)CC(=O)NC(=C)SC(=C)CCSCCc1nnc(NC(=O)CC(C)=CC)s1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC(=CC)CC(=O)NC(=C)SC(=C)CCSCCc1nnc(NC(=O)CC(C)=CC)s1
|
C=CC(=CC)CC(=O)NC(=C)SC(=C)CCSCCc1nnc(C(C)=CC)s1
| null |
amide
|
30e0a407-59a9-4774-bdcc-f36b893a3d5f
|
delete
|
Modify the molecule CCN(C)C(=O)C[NH2+]Cc1ccc(NC(C)=O)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(C)C(=O)C[NH2+]Cc1ccc(NC(C)=O)cc1
|
CCN(C)C(=O)C[NH2+]CNC(C)=O
| null |
benzene
|
42bc347b-40be-43f4-ba3d-06c7611851b0
|
delete
|
Please remove a hydroxyl from the molecule CC(O)(CO)c1ccc(Cl)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(O)(CO)c1ccc(Cl)c(Cl)c1.
|
CC(CO)c1ccc(Cl)c(Cl)c1
| null |
hydroxyl
|
62ddbb03-48fb-4558-9641-7774e9689e44
|
delete
|
Please remove a benzene ring from the molecule Cc1nnnn1C(N=O)c1ccc(S(C)(=O)=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nnnn1C(N=O)c1ccc(S(C)(=O)=O)cc1.
|
Cc1nnnn1C(N=O)S(C)(=O)=O
| null |
benzene
|
8c6c8c4e-a573-4fac-bbab-7c594e4ea0e1
|
delete
|
Please remove a amine from the molecule COC(=O)c1sc(NC(C)CCCC(C)C)nc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1sc(NC(C)CCCC(C)C)nc1C.
|
COC(=O)c1sc(C(C)CCCC(C)C)nc1C
| null |
amine
|
58500637-e947-4eb8-b4d1-c3a376093235
|
delete
|
Please remove a amide from the molecule Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C(C)C)CC2)cccc1C(=O)NC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C(C)C)CC2)cccc1C(=O)NC(C)C.
|
Cc1c(NC(=O)C(C)[NH+]2CCC(C(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C(C)C)C2)cccc1C(=O)NC(C)C
| null |
amide
|
778cf4f1-8833-4525-a353-133b03c7c05e
|
delete
|
Please remove a benzene ring from the molecule O=C(NCC1CCCC1CCl)c1ccccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC1CCCC1CCl)c1ccccc1Cl.
|
O=C(NCC1CCCC1CCl)
| null |
benzene
|
586fa602-acfe-4366-b093-f260b4ce9f59
|
delete
|
Modify the molecule CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
|
CC(C)(C)OC(=O)NC(CSC(c1ccccc1)c1ccccc1)C(=O)OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
| null |
benzene
|
e2a398bc-4eee-4f72-a6b2-778d2a2acfc7
|
delete
|
Please remove a benzene ring from the molecule O=S(Oc1ccccc1)SCCC(Br)(c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(Oc1ccccc1)SCCC(Br)(c1ccccc1)c1ccccc1.
|
O=S(Oc1ccccc1)SCCC(Br)c1ccccc1
| null |
benzene
|
8750f7ae-3da0-48cc-a846-ebf3257a295c
|
delete
|
Modify the molecule CCC1CCCC1[NH2+]CC1CCCC1CO by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCCC1[NH2+]CC1CCCC1CO
|
CCC1CCCC1[NH2+]CC1CCCC1C
| null |
hydroxyl
|
091a8f6f-3450-4958-9e0e-6b792b0b8618
|
delete
|
Modify the molecule CCC1(C)CN(c2cc(OC)ccc2Cl)C(C(C)C)C[NH2+]1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(C)CN(c2cc(OC)ccc2Cl)C(C(C)C)C[NH2+]1
|
CCC1(C)CN(c2cccc(OC)c2)C(C(C)C)C[NH2+]1
| null |
halo
|
5ee09eca-378e-4ee4-9201-f252824377b4
|
delete
|
Please remove a benzene ring from the molecule Cc1cccc(N2CCN(C(=O)c3ccn[nH]3)CC2)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(N2CCN(C(=O)c3ccn[nH]3)CC2)c1C.
|
CCN1CCN(C(=O)c2ccn[nH]2)CC1
| null |
benzene
|
524ec31e-5af2-4cd3-ab44-69cf3b654d35
|
delete
|
Please remove a benzene ring from the molecule CCOc1ccc(C(=O)Cn2nc(C)ccc2=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C(=O)Cn2nc(C)ccc2=O)cc1.
|
CCOC(=O)Cn1nc(C)ccc1=O
| null |
benzene
|
b2f4cc40-c0db-4c1c-a3d6-44f3d02d4044
|
delete
|
Modify the molecule CC(C)(C)C=NOCc1ccc(-c2ccccc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C=NOCc1ccc(-c2ccccc2)cc1
|
CC(C)(C)C=NOCc1ccccc1
| null |
benzene
|
2ae336de-495e-4dc4-b9ae-5484511a0a1b
|
delete
|
Please remove a benzene ring from the molecule Cc1cc(C)n(CCC(=O)OCc2ccc(C(N)=O)cc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)n(CCC(=O)OCc2ccc(C(N)=O)cc2)n1.
|
Cc1cc(C)n(CCC(=O)OCC(N)=O)n1
| null |
benzene
|
bac22dd6-86ba-4222-a589-f4302eca8258
|
delete
|
Please remove a hydroxyl from the molecule O=C(CC=CCO)c1ncc[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CC=CCO)c1ncc[nH]1.
|
CC=CCC(=O)c1ncc[nH]1
| null |
hydroxyl
|
83bae36f-95a6-4ff2-b545-e67a8ad30ee5
|
delete
|
Please remove a benzene ring from the molecule CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OC(C)C(=O)NCCc4ccccc4)cc3C2=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OC(C)C(=O)NCCc4ccccc4)cc3C2=O)cc1.
|
CCNC(=O)C(C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(NC(C)=O)cc1)C2=O
| null |
benzene
|
7b4bfa02-bbbb-4924-ad85-97fbf271d5ea
|
delete
|
Please remove a amine from the molecule Cc1ccc2c(c1)C(=O)c1cccc(N)c1C2=S.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2c(c1)C(=O)c1cccc(N)c1C2=S.
|
Cc1ccc2c(c1)C(=O)c1ccccc1C2=S
| null |
amine
|
26962596-c882-453e-9cd5-fd6f433b7a48
|
delete
|
Please remove a amine from the molecule CCCCONC1CCC(CO)[NH2+]C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCONC1CCC(CO)[NH2+]C1.
|
CCCCOC1CCC(CO)[NH2+]C1
| null |
amine
|
f83fcfc2-ca20-4921-8fdb-21985188a78a
|
delete
|
Modify the molecule Nc1ccc2ncnc(N(CCCO)C3CCC3)c2c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc2ncnc(N(CCCO)C3CCC3)c2c1
|
OCCCN(c1ncnc2ccccc12)C1CCC1
| null |
amine
|
c6840d25-7912-41f4-ad68-8d678c3a5e26
|
delete
|
Please remove a hydroxyl from the molecule CCC[NH2+]C1COc2cc(OCCCCCCO)ccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C1COc2cc(OCCCCCCO)ccc21.
|
CCCCCCOc1ccc2c(c1)OCC2[NH2+]CCC
| null |
hydroxyl
|
a598aa4b-9891-4923-8ed2-9f73b08783a5
|
delete
|
Please remove a hydroxyl from the molecule Cc1cccc(C(=O)NCC2(O)CCOC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C(=O)NCC2(O)CCOC2)c1.
|
Cc1cccc(C(=O)NCC2CCOC2)c1
| null |
hydroxyl
|
12da2d01-4255-4186-87aa-515e7dd4daca
|
delete
|
Please remove a benzene ring from the molecule NC(COc1cccc(NS(=O)(=O)c2cccs2)c1)=[NH+]O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(COc1cccc(NS(=O)(=O)c2cccs2)c1)=[NH+]O.
|
NC(CONS(=O)(=O)c1cccs1)=[NH+]O
| null |
benzene
|
62611ba0-ba0e-4c88-a4ef-3d10cc7e9bbd
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc2oc3ccc(N(C)c4cccc(Cl)c4)cc3c2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2oc3ccc(N(C)c4cccc(Cl)c4)cc3c2c1.
|
Cc1ccc2oc3ccc(N(C)Cl)cc3c2c1
| null |
benzene
|
d8d1a1f4-3ee3-4a46-abc8-93c1dac7b838
|
delete
|
Please remove a amide from the molecule O=C(CNN1CCCCC1)N1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CNN1CCCCC1)N1CCCCC1.
|
C1CCN(NC2CCCC2)CC1
| null |
amide
|
353d868e-ecb2-4979-905d-11cafe4ed46a
|
delete
|
Please remove a amine from the molecule CCn1ccnc(N(CCC(N)=S)CC(C)C)c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1ccnc(N(CCC(N)=S)CC(C)C)c1=O.
|
CCn1ccnc(N(CCC=S)CC(C)C)c1=O
| null |
amine
|
8e20b6e3-88c6-4491-94bb-51b19152ee11
|
delete
|
Please remove a amine from the molecule CC1c2ccsc2CCN1c1ncc(C(=O)[O-])cc1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1c2ccsc2CCN1c1ncc(C(=O)[O-])cc1N.
|
CC1c2ccsc2CCN1c1ccc(C(=O)[O-])cn1
| null |
amine
|
b229a6a6-4cc9-43b6-a791-530d8b9ff740
|
delete
|
Please remove a benzene ring from the molecule CNC(=O)c1ccc(C(C)N2C(=O)C3CC2C[NH+]3CC(C)C(=O)N2C(C#N)CC3CC32)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)c1ccc(C(C)N2C(=O)C3CC2C[NH+]3CC(C)C(=O)N2C(C#N)CC3CC32)cc1.
|
CNC(=O)C(C)N1C(=O)C2CC1C[NH+]2CC(C)C(=O)N1C(C#N)CC2CC21
| null |
benzene
|
789a4171-bda3-4afb-9cad-86c3f07c6d61
|
delete
|
Please remove a benzene ring from the molecule CCNC(NC1CCCC(C)C1)=[NH+]CC(O)Cc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(NC1CCCC(C)C1)=[NH+]CC(O)Cc1ccccc1.
|
CCNC(NC1CCCC(C)C1)=[NH+]CC(C)O
| null |
benzene
|
de1352d4-dd29-4257-a4fc-ca94de39e44c
|
delete
|
Modify the molecule C=CCn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C
|
C=CCn1c(NN=Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
| null |
halo
|
8a50c828-f62e-42ec-9095-06a67f4c7d23
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc2c(n1)oc1c(-c3ncccc3-c3cccc(C(C)C)c3)c(C)ccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2c(n1)oc1c(-c3ncccc3-c3cccc(C(C)C)c3)c(C)ccc12.
|
Cc1ccc2c(n1)oc1c(-c3ncccc3C(C)C)c(C)ccc12
| null |
benzene
|
957d6977-6be4-4834-8fdf-523f3897157e
|
delete
|
Please remove a halo from the molecule CCOC(=O)C1=CC2=CC=CC=C(C=C1Br)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C1=CC2=CC=CC=C(C=C1Br)C2.
|
CCOC(=O)C1=CC2=CC=CC=C(C=C1)C2
| null |
halo
|
7bd4a07e-d7f2-4e05-b2f1-4024cac8f160
|
delete
|
Please remove a halo from the molecule Clc1ccnc(=CI)c1=CC=[V].
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1ccnc(=CI)c1=CC=[V].
|
c1ccnc(=CH)c1=CC=[V]
| null |
halo
|
eefc4211-8c05-47d8-a2d6-13efea944fcb
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(-c2cc(-c3ccccc3)[te][o+]2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2cc(-c3ccccc3)[te][o+]2)cc1.
|
COc1ccc(-c2cc[te][o+]2)cc1
| null |
benzene
|
72309943-375a-4a58-9353-07b6da5d1de2
|
delete
|
Please remove a benzene ring from the molecule [NH3+]CCc1ccc(Br)cc1SCC1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CCc1ccc(Br)cc1SCC1CCCC1.
|
[NH3+]CC[SH](Br)CC1CCCC1
| null |
benzene
|
d2fd254f-e208-4832-9474-c72789ace218
|
delete
|
Please remove a benzene ring from the molecule Cc1nn(C(=O)CNc2cccc(Cl)c2C)c(C)c1Cc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C(=O)CNc2cccc(Cl)c2C)c(C)c1Cc1ccccc1.
|
Cc1nn(C(=O)CNc2cccc(Cl)c2C)c(C)c1C
| null |
benzene
|
a536dda0-0e36-43f0-99d0-355daa46b14b
|
delete
|
Modify the molecule CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12
|
CC(=O)Nc1c(C(=O)N2CCCCC2)sc2nc(Cl)cc(-c3ccc(Cl)cc3)c12
| null |
benzene
|
87a777de-70e7-4c34-95f3-217a57dd49ca
|
delete
|
Modify the molecule COc1ccc(Cn2c(CCc3cc4ccccc4[nH]3)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cn2c(CCc3cc4ccccc4[nH]3)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2([NH3+])CC[NH2+]CC2)cc1
|
COCn1c(CCc2cc3ccccc3[nH]2)nnc1C(Cc1c[nH]c2ccccc12)NC(=O)C1([NH3+])CC[NH2+]CC1
| null |
benzene
|
a7786757-fbac-49d6-bd75-7e7d3fa6e943
|
delete
|
Please remove a amide from the molecule CNC(=O)CC1CCCCN1c1ccnc(-n2ccnc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)CC1CCCCN1c1ccnc(-n2ccnc2)n1.
|
CC1CCCCN1c1ccnc(-n2ccnc2)n1
| null |
amide
|
fe39590f-8f81-47dc-887f-a7fd94a8eb8a
|
delete
|
Please remove a hydroxyl from the molecule O=C(C=Cc1cc(Cl)cc(Cl)c1)NCCSCCCO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C=Cc1cc(Cl)cc(Cl)c1)NCCSCCCO.
|
CCCSCCNC(=O)C=Cc1cc(Cl)cc(Cl)c1
| null |
hydroxyl
|
46b164a0-09d9-42e8-97ed-7d4cc96c0435
|
delete
|
Please remove a amide from the molecule CCc1cccc(C)c1NC(=O)CCSc1ccccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cccc(C)c1NC(=O)CCSc1ccccc1Cl.
|
CCc1cccc(C)c1CSc1ccccc1Cl
| null |
amide
|
34ba8f79-d885-449c-b67b-ae84141a1c4c
|
delete
|
Modify the molecule CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(CC)CC)cc3)C2c2ccncc2)cc1OC by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N(CC)CC)cc3)C2c2ccncc2)cc1OC
|
CCCOc1ccc(CC(Oc2ccc(N(CC)CC)cc2)c2ccncc2)cc1OC
| null |
amide
|
f5de95bd-e288-4955-851b-23cd63b3c177
|
delete
|
Please remove a benzene ring from the molecule Cc1nc(-c2ccc(O)cc2)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(-c2ccc(O)cc2)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2.
|
Cc1nc(O)c2c(n1)C1(c3ccccc3)CC(C#N)C(=O)C(C)C1CC2
| null |
benzene
|
d8d111af-95e9-43dd-9a0a-9d99f2e19015
|
delete
|
Modify the molecule Cc1cccc(C(CNC(=O)NCC(C)C)c2c[nH]c3ccccc23)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C(CNC(=O)NCC(C)C)c2c[nH]c3ccccc23)c1
|
CC(C)CNC(=O)NCC(C)c1c[nH]c2ccccc12
| null |
benzene
|
12939832-d336-453a-8655-49fcb3b887e0
|
delete
|
Please remove a benzene ring from the molecule C[NH2+]CC1CCCN1CC(C#N)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CC1CCCN1CC(C#N)c1ccccc1.
|
C[NH2+]CC1CCCN1CCC#N
| null |
benzene
|
6c881a11-cb4e-496e-90cd-e227233af3b8
|
delete
|
Modify the molecule CC1(O)CCC[NH+](Cc2cnccn2)C1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(O)CCC[NH+](Cc2cnccn2)C1
|
CC1CCC[NH+](Cc2cnccn2)C1
| null |
hydroxyl
|
3b6271d9-a4ec-435a-96b9-21a4a935c19a
|
delete
|
Modify the molecule COc1cccc(OC)c1C([NH3+])CCc1ccnn1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(OC)c1C([NH3+])CCc1ccnn1C
|
COC([NH3+])(CCc1ccnn1C)OC
| null |
benzene
|
2bab0653-2c4c-43df-a43f-4a704fb67d51
|
delete
|
Modify the molecule CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1Cl by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccccc1Cl
|
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCl
| null |
benzene
|
fa6df769-2f17-48a4-aa36-3c1e730a019b
|
delete
|
Please remove a amide from the molecule CCOC(=O)CCNC(=O)C(c1ccc(C)cc1C)N(CC)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CCNC(=O)C(c1ccc(C)cc1C)N(CC)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C.
|
CCOC(=O)CCNC(=O)C(CC(C)C)(c1ccc(C)cc1C)C(C)NC(=O)OC(C)(C)C
| null |
amide
|
b7e8bce6-642e-4111-9d1a-2a9b9c2d4755
|
delete
|
Please remove a amide from the molecule CCc1ccccc1NC(=O)C1Nc2cc(F)ccc2S(=O)(=O)N1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccccc1NC(=O)C1Nc2cc(F)ccc2S(=O)(=O)N1.
|
CCc1ccccc1N1Nc2cc(F)ccc2S1(=O)=O
| null |
amide
|
a1f75648-2e4d-44d4-9be9-bcb42bb09bfe
|
delete
|
Please remove a amine from the molecule COc1ccc(OC)c(Sc2nc3c([nH]2)c(N)nc[n+]3CCc2ccc3c(c2)OCO3)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(OC)c(Sc2nc3c([nH]2)c(N)nc[n+]3CCc2ccc3c(c2)OCO3)c1.
|
COc1ccc(OC)c(Sc2nc3c(cnc[n+]3CCc3ccc4c(c3)OCO4)[nH]2)c1
| null |
amine
|
936f7e51-7c72-4c82-8f91-ad190b869cd0
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc(N=c2ccc3cccc4c([O-])c(-c5ccccc5)c(=O)n2c34)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(N=c2ccc3cccc4c([O-])c(-c5ccccc5)c(=O)n2c34)cc1.
|
CN=c1ccc2cccc3c([O-])c(-c4ccccc4)c(=O)n1c23
| null |
benzene
|
b5d26098-0588-46ed-b8d9-a1c2ed26722e
|
delete
|
Please remove a benzene ring from the molecule CCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)c1.
|
CCOc1cccc(NCC(=O)NC(=O)NC)c1
| null |
benzene
|
f1d6ef3f-fa69-41fd-a11c-fd7e25d10275
|
delete
|
Please remove a benzene ring from the molecule C=CCn1c(C)nnc1SCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(C)nnc1SCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)OCC.
|
C=CCn1c(C)nnc1SCC(=O)Nc1ccsc1C(=O)OCC
| null |
benzene
|
81d57920-1156-4593-a778-88a4abf8e46f
|
delete
|
Modify the molecule CCOCCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(C)ccc21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(C)ccc21
|
CCOCCn1c(=NC(=O)c2ccc(S(=O)(=O)NC)cc2)sc2cc(C)ccc21
| null |
benzene
|
031949c3-9409-4557-9d41-097edb09fc21
|
delete
|
Modify the molecule CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1C(C(=O)NC(Cc2ccccc2)C(O)C(=O)[O-])CSC1c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1C(C(=O)NC(Cc2ccccc2)C(O)C(=O)[O-])CSC1c1ccccc1
|
COC(=O)NC(C(=O)N1C(C(=O)NC(Cc2ccccc2)C(O)C(=O)[O-])CSC1c1ccccc1)C(C)C
| null |
benzene
|
758f1699-0d13-4e87-9c24-29b485acc84c
|
delete
|
Modify the molecule CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N
|
CCc1nc(-c2cc(Cl)c3[nH]ncc3c2)cnc1N
| null |
benzene
|
8c92ec1c-a448-44d2-a44e-173a621a89a8
|
delete
|
Please remove a amide from the molecule COc1ccc(OCCOc2cccc(CCN3CC(C(=O)[O-])CC3=O)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(OCCOc2cccc(CCN3CC(C(=O)[O-])CC3=O)c2)cc1.
|
COc1ccc(OCCOc2cccc(CCCCC(=O)[O-])c2)cc1
| null |
amide
|
37df84a7-ca2c-4ad4-aaee-a4af81569cc6
|
delete
|
Please remove a hydroxyl from the molecule CC(=O)Nc1ccc(C(=O)COC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)Nc1ccc(C(=O)COC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.
|
CC(=O)Nc1ccc(C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
| null |
hydroxyl
|
e00dd4bd-658e-4457-9632-0b2c1eb08fa1
|
delete
|
Modify the molecule NNC(=O)C1CCCN(C(=O)C2CC2)C1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NNC(=O)C1CCCN(C(=O)C2CC2)C1
|
NC(=O)C1CCCN(C(=O)C2CC2)C1
| null |
amine
|
0348390a-ef52-492a-a6fc-bb1afd004e0e
|
delete
|
Please remove a amide from the molecule COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1.
|
COc1ccc(-c2(-c3ccccc3)c(C#N)c(SCC(=O)c3ccc(Br)cc3)nc-2C)cc1
| null |
amide
|
a0013381-7621-4a30-ad23-fb28a1b3ab2a
|
delete
|
Modify the molecule CCc1cccc(CC)c1N(CCC(=O)NCCc1ccccc1F)C(C)=O by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cccc(CC)c1N(CCC(=O)NCCc1ccccc1F)C(C)=O
|
CCc1cccc(CC)c1N(CCC(=O)NCCc1ccccc1)C(C)=O
| null |
halo
|
7aac2c23-f268-4593-a070-a972682cc3e6
|
delete
|
Modify the molecule Cc1cc(C2CCCN2S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)on1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C2CCCN2S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)on1
|
Cc1cc(C2CCCN2S(=O)(=O)c2nc(C)cs2)on1
| null |
benzene
|
e2789c20-586c-4da1-a85c-84cf513db007
|
delete
|
Modify the molecule Cc1csc2c([N+](=O)[O-])cc(N)cc12 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1csc2c([N+](=O)[O-])cc(N)cc12
|
Cc1csc2c([N+](=O)[O-])cccc12
| null |
amine
|
18edf2a9-35d8-496b-9bc3-544fc1273174
|
delete
|
Modify the molecule CCCCCCC1CN=C(c2ccccc2)O1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCC1CN=C(c2ccccc2)O1
|
CCCCCCC1CN=CO1
| null |
benzene
|
892b841c-f5c3-4acd-aa8b-9e33b7c72b89
|
delete
|
Modify the molecule C#Cc1cccc(NC(=O)c2ccc(Br)cc2O)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#Cc1cccc(NC(=O)c2ccc(Br)cc2O)c1
|
C#Cc1cccc(NC(=O)c2ccccc2O)c1
| null |
halo
|
4ac92ee5-f41a-4b13-b9b8-9d56d4dcfc00
|
delete
|
Modify the molecule CCCC(C(=O)NC(C)c1cc(OC)ccc1OC)c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(C(=O)NC(C)c1cc(OC)ccc1OC)c1ccccc1
|
CCCCC(=O)NC(C)c1cc(OC)ccc1OC
| null |
benzene
|
cd662749-36da-4ad2-a49e-476e279f51cb
|
delete
|
Modify the molecule C=CCSc1ccccc1NC(=O)c1ccc(C)nc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCSc1ccccc1NC(=O)c1ccc(C)nc1
|
C=CCSNC(=O)c1ccc(C)nc1
| null |
benzene
|
a8ba47af-ee1f-4fbb-aa59-da2e9904de1f
|
delete
|
Please remove a halo from the molecule CC1(C)CCC[NH+](Cc2cc(Oc3c(Cl)cc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc2O)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCC[NH+](Cc2cc(Oc3c(Cl)cc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc2O)C1.
|
CC1(C)CCC[NH+](Cc2cc(Oc3ccc(-n4ncc(=O)[nH]c4=O)cc3Cl)ccc2O)C1
| null |
halo
|
804809e7-70aa-4613-8db4-b8021977ac47
|
delete
|
Please remove a amide from the molecule O=C1CCCN(C(=O)CCCc2ccc[nH]2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CCCN(C(=O)CCCc2ccc[nH]2)C1.
|
O=C1CCCC(Cc2ccc[nH]2)C1
| null |
amide
|
db84315f-f982-4430-982f-1437e4974e86
|
delete
|
Please remove a halo from the molecule N#CCC(C(=O)c1ccccc1F)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCC(C(=O)c1ccccc1F)c1ccccc1.
|
N#CCC(C(=O)c1ccccc1)c1ccccc1
| null |
halo
|
1811bc70-e66b-460a-9344-e1c047bafdc8
|
delete
|
Modify the molecule COc1ccc(N(C)c2c(N)c[nH+]cc2Br)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(N(C)c2c(N)c[nH+]cc2Br)cc1
|
COc1ccc(N(C)c2cc[nH+]cc2N)cc1
| null |
halo
|
ea2ad84b-38df-4413-b928-b1b23e87e732
|
delete
|
Modify the molecule COC(C[NH3+])CC(=O)Nc1cc(CC(C)(C)C)[nH]n1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(C[NH3+])CC(=O)Nc1cc(CC(C)(C)C)[nH]n1
|
COC(C[NH3+])c1cc(CC(C)(C)C)[nH]n1
| null |
amide
|
853fbd18-f4fa-4c6a-acb4-0e29ccf166b9
|
delete
|
Please remove a halo from the molecule COc1ccc(C)c([B-](F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C)c([B-](F)(F)F)c1.
|
COc1ccc(C)c([B-](F)F)c1
| null |
halo
|
763e348b-54ad-4ebe-a044-dc5ff6786499
|
delete
|
Please remove a hydroxyl from the molecule CC1CCC(COCCO)O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCC(COCCO)O1.
|
CCOCC1CCC(C)O1
| null |
hydroxyl
|
e3a147fb-da53-47e1-aff3-3a1d44c6661a
|
delete
|
Please remove a halo from the molecule CCC[NH2+]Cc1sc(-c2ccn(C)n2)nc1C(F)(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]Cc1sc(-c2ccn(C)n2)nc1C(F)(F)F.
|
CCC[NH2+]Cc1sc(-c2ccn(C)n2)nc1C
| null |
halo
|
30f78d8b-f7ae-4d85-96ed-1dc310592033
|
delete
|
Please remove a benzene ring from the molecule CC(=O)Oc1ccccc1C1=NN(C(C)=O)C(c2ccncc2)O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)Oc1ccccc1C1=NN(C(C)=O)C(c2ccncc2)O1.
|
CC(=O)OC1=NN(C(C)=O)C(c2ccncc2)O1
| null |
benzene
|
2528854d-b730-4b50-9a30-1ea3f3db9691
|
delete
|
Please remove a benzene ring from the molecule O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
|
O=C(NCCl)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
| null |
benzene
|
112aaf98-0247-4e31-8443-ad8132b1e295
|
delete
|
Please remove a benzene ring from the molecule CCC(CC)(NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC)(NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-].
|
CCC(CC)(NC(=O)NC(C)C)C(=O)[O-]
| null |
benzene
|
4acdea9d-cf6c-46cd-aa15-a55db0738014
|
delete
|
Please remove a benzene ring from the molecule Cc1ncccc1Oc1ccc(CC(C)[NH3+])cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ncccc1Oc1ccc(CC(C)[NH3+])cc1.
|
Cc1ncccc1OCC(C)[NH3+]
| null |
benzene
|
0f66ca9a-0ea1-46f1-9dff-661b67502640
|
delete
|
Modify the molecule CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3
|
CCOCc1nc2cnc3c(c2n1CC(C)(C)O)CCCC3
| null |
amine
|
05845825-df7e-42b7-a71d-aa38b653ca90
|
delete
|
Modify the molecule O=C(NON(O)C(=O)c1ccccc1)c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NON(O)C(=O)c1ccccc1)c1ccccc1
|
O=CNON(O)C(=O)c1ccccc1
| null |
benzene
|
1823f5e7-dd5e-4103-8e60-1b4e6fb78401
|
delete
|
Please remove a benzene ring from the molecule CCCc1nc(N(CC)c2ccccc2)sc1C[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1nc(N(CC)c2ccccc2)sc1C[NH3+].
|
CCCc1nc(NCC)sc1C[NH3+]
| null |
benzene
|
981d1a57-22b3-4571-8bb6-9d4ebaa239a0
|
delete
|
Modify the molecule COc1ccc([N+](=O)[O-])cc1C(=O)NCCCOCCO by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc([N+](=O)[O-])cc1C(=O)NCCCOCCO
|
CCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC
| null |
hydroxyl
|
c03bc919-5537-44ee-a13c-39660415c776
|
delete
|
Please remove a amide from the molecule CC(C)CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O.
|
CC(C)CNC(=O)C(C)C(Cc1ccc(Cl)c(Cl)c1)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O
| null |
amide
|
f5ec0d2b-972c-4515-9fe8-560475016d2e
|
delete
|
Please remove a amine from the molecule CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C(N)=[NH2+])cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(C(N)=[NH2+])cc2)CC1.
|
CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(CN)cc2)CC1
| null |
amine
|
fc2a0a17-b999-4b1e-b085-fe864f83085b
|
delete
|
Please remove a benzene ring from the molecule Cn1c(N2CCCOCC2c2ccccc2)nc(-c2ccncn2)cc1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1c(N2CCCOCC2c2ccccc2)nc(-c2ccncn2)cc1=O.
|
Cn1c(N2CCCOCC2)nc(-c2ccncn2)cc1=O
| null |
benzene
|
f8fb93e0-0dd7-47b9-8f01-e9ec43e7f100
|
delete
|
Please remove a halo from the molecule CC(C)C(CCl)[NH2+]Cc1cncc(Br)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(CCl)[NH2+]Cc1cncc(Br)c1.
|
CC(C)C(CCl)[NH2+]Cc1cccnc1
| null |
halo
|
b0132ca1-e1d1-42c0-96ee-155c6dd59a79
|
delete
|
Modify the molecule C=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)c1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)c1ccc(-c2ccc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc2)cc1
|
C=C(C)C(=O)OCCC(CCOC(=O)C(=C)C)c1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1
| null |
benzene
|
3a2e753f-2011-4f44-8a79-d9a3cf14e056
|
delete
|
Please remove a halo from the molecule CC1C(=O)N(c2nc3cc(S(=O)(=O)C(F)F)ccc3s2)C2CCN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1C(=O)N(c2nc3cc(S(=O)(=O)C(F)F)ccc3s2)C2CCN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C12.
|
CC1C(=O)N(c2nc3cc(S(=O)(=O)CF)ccc3s2)C2CCN(C(=O)C3CCCN3C(=O)OC(C)(C)C)C12
| null |
halo
|
5745bfb8-edf0-4e08-849d-87bae75e45c9
|
delete
|
Modify the molecule CC(C)N(C(=O)COc1cccc(F)c1C(=O)[O-])C(C)C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)N(C(=O)COc1cccc(F)c1C(=O)[O-])C(C)C
|
CC(C)N(C(=O)COc1ccccc1C(=O)[O-])C(C)C
| null |
halo
|
4edcb6cc-7c7b-4d12-aa63-283bf77262c7
|
delete
|
Modify the molecule COC(=O)C1=C(C)NC(CSC)=C(C(=O)OC)C1c1cccc(Cl)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1=C(C)NC(CSC)=C(C(=O)OC)C1c1cccc(Cl)c1
|
COC(=O)C1=C(C)NC(CSC)=C(C(=O)OC)C1c1ccccc1
| null |
halo
|
59e586b2-e95c-4fcb-ab74-cdd639e9dfc0
|
delete
|
Modify the molecule CCC1(OC(C)=O)C(O)CC(F)C2(C)C(=O)C(OC(C)=O)C3=C(C)C(O)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(OC(C)=O)C(O)CC(F)C2(C)C(=O)C(OC(C)=O)C3=C(C)C(O)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C
|
CCC1(OC(C)=O)C(O)CC(F)C2(C)C(=O)C(OC(C)=O)C3=C(C)CCC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C
| null |
hydroxyl
|
20d019e4-755d-4e51-a77f-b78545751348
|
delete
|
Modify the molecule COc1c(CC(=O)[O-])cnn1Cc1ccc(F)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1c(CC(=O)[O-])cnn1Cc1ccc(F)cc1
|
COc1c(CC(=O)[O-])cnn1CF
| null |
benzene
|
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