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 |
|---|---|---|---|---|---|---|
6ac05e84-8966-47fe-8091-cb04cc7e8578
|
delete
|
Modify the molecule O=C1CCc2c(Cl)cc(O)c(F)c21 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CCc2c(Cl)cc(O)c(F)c21
|
O=C1CCc2c(Cl)ccc(F)c21
| null |
hydroxyl
|
0f5bf8a4-a79c-4486-a06d-307ed20d1052
|
delete
|
Modify the molecule C[NH+]1C2CCC1CC(C[NH+]=C(N)[NH+]=C(N)N)C2 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1C2CCC1CC(C[NH+]=C(N)[NH+]=C(N)N)C2
|
C[NH+]1C2CCC1CC(C[NH+]=C[NH+]=C(N)N)C2
| null |
amine
|
a25579a8-a0fc-43de-94ea-218d92c2a987
|
delete
|
Modify the molecule Cc1nn2cc(CNC(=O)CC(C)(C)C)[nH+]c2s1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn2cc(CNC(=O)CC(C)(C)C)[nH+]c2s1
|
Cc1nn2cc(CC(C)(C)C)[nH+]c2s1
| null |
amide
|
b0e52771-c327-451f-94a3-d854ac2f43e0
|
delete
|
Modify the molecule CC(C)(C)C#CC=CCC(Cc1cccc(C=Cc2cccc(-c3ccsc3)c2)c1)C(=O)[O-] by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C#CC=CCC(Cc1cccc(C=Cc2cccc(-c3ccsc3)c2)c1)C(=O)[O-]
|
CC(C)(C)C#CC=CCC(Cc1cccc(C=Cc2ccsc2)c1)C(=O)[O-]
| null |
benzene
|
d2f297d1-bf5b-495b-a6a8-2174274a449f
|
delete
|
Please remove a benzene ring from the molecule Cc1cc(C)cc(NC(=S)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)cc(NC(=S)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1.
|
CCNC(=S)N(Cc1cccs1)C1CCS(=O)(=O)C1
| null |
benzene
|
6e8e50ad-2128-44c1-893b-106c06c894e5
|
delete
|
Please remove a halo from the molecule CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnn(-c2ccccc2F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnn(-c2ccccc2F)c1.
|
CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnn(-c2ccccc2)c1
| null |
halo
|
128d037d-cc78-41ef-af5d-31f96d4fa299
|
delete
|
Please remove a benzene ring from the molecule Cc1cccc(NCC(NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)C(=O)N2CCC(C)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(NCC(NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)C(=O)N2CCC(C)CC2)c1.
|
CNCC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N1CCC(C)CC1
| null |
benzene
|
495be2a0-52bb-4cc1-b9c7-db0ac8f00065
|
delete
|
Modify the molecule COC(=O)c1cn(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc12 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1cn(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc12
|
COC(=O)c1cn(C2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc12
| null |
amide
|
219bcfe8-c044-46ac-ace2-322e47bf5a1f
|
delete
|
Modify the molecule CC(C)CCCCCCCOP(O)OCCCCCCCC(C)C by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CCCCCCCOP(O)OCCCCCCCC(C)C
|
CC(C)CCCCCCCOPOCCCCCCCC(C)C
| null |
hydroxyl
|
f83f60a6-44b1-4df9-a8b5-6ebca9565815
|
delete
|
Modify the molecule CCCCCCN(CCCCCC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCN(CCCCCC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
|
CCCCCCN(CCCCCC)Nc1c2ccccc2nc2ccccc12
| null |
benzene
|
7a498fea-e725-4034-acb3-30687712f95e
|
delete
|
Modify the molecule CC(=O)c1ccc(Oc2ccc(Br)cc2F)cc1Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1ccc(Oc2ccc(Br)cc2F)cc1Cl
|
CC(=O)c1ccc(Oc2ccc(Br)cc2)cc1Cl
| null |
halo
|
e75a16fb-4ad0-463b-9c2a-bd1534499a44
|
delete
|
Modify the molecule CC(=NS(C)(=O)=O)[NH+]=C(Nc1ccccc1)N1CCOCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=NS(C)(=O)=O)[NH+]=C(Nc1ccccc1)N1CCOCC1
|
CC(=NS(C)(=O)=O)[NH+]=C(N)N1CCOCC1
| null |
benzene
|
fe0bcb9f-2192-439d-bc57-900b0971f0ce
|
delete
|
Please remove a amine from the molecule Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCN(C(=O)[O-])C6)cc5c4)n3c2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCN(C(=O)[O-])C6)cc5c4)n3c2)cn1.
|
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(C6CCN(C(=O)[O-])C6)cc5c4)n3c2)cn1
| null |
amine
|
4483cbfc-6b90-43b1-954a-8245a62faa2a
|
delete
|
Please remove a benzene ring from the molecule CC[NH+](CC)CC=C(Cl)c1ccc(N)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CC)CC=C(Cl)c1ccc(N)cc1Cl.
|
CC[NH+](CC)CC=C(Cl)
| null |
benzene
|
72d56a0f-f406-4609-972a-e14b839d4155
|
delete
|
Modify the molecule CCCS(=O)Cc1nc2ccccc2n1-c1ccc(-c2ccccc2C(=O)[O-])c(C)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCS(=O)Cc1nc2ccccc2n1-c1ccc(-c2ccccc2C(=O)[O-])c(C)c1
|
CCCS(=O)Cc1nc2ccccc2n1Cc1ccccc1C(=O)[O-]
| null |
benzene
|
51d8598e-20f9-4568-ba55-a14f5c91f210
|
delete
|
Please remove a amide from the molecule CC(=O)N(Cc1nnc(C2CC2)n1C)C1CC[NH+](CC(N)=O)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(Cc1nnc(C2CC2)n1C)C1CC[NH+](CC(N)=O)C1.
|
CC(=O)N(Cc1nnc(C2CC2)n1C)C1CC[NH+]C1
| null |
amide
|
ceccb98c-368f-4196-8b49-068c2e5a36e5
|
delete
|
Please remove a benzene ring from the molecule O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1ccc(=O)[nH]n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)c1ccc(=O)[nH]n1.
|
O=C(NC1CCN(C(=O)CCCl)CC1)c1ccc(=O)[nH]n1
| null |
benzene
|
8fb34561-ea8e-4f55-8086-3a1901a55a45
|
delete
|
Modify the molecule CCCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)cc1
|
CCCCCCCOc1ccc(C2CCC(CC)CC2)cc1
| null |
benzene
|
abda0137-0539-4333-8e74-71f495a8d998
|
delete
|
Modify the molecule CCC(C)COc1cc2c(cc1OCC(C)CC)-c1cc3c(cc1-c1cc(C=Cc4ccc(C)cc4)ccc1-c1ccc(C=Cc4ccc(C)cc4)cc1-2)OCC(CC)C(C(C)CC)O3 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)COc1cc2c(cc1OCC(C)CC)-c1cc3c(cc1-c1cc(C=Cc4ccc(C)cc4)ccc1-c1ccc(C=Cc4ccc(C)cc4)cc1-2)OCC(CC)C(C(C)CC)O3
|
CC=Cc1ccc2c(c1)-c1cc(OCC(C)CC)c(OCC(C)CC)cc1-c1cc3c(cc1-c1cc(C=Cc4ccc(C)cc4)ccc1-2)OCC(CC)C(C(C)CC)O3
| null |
benzene
|
fd86401f-3f77-4fca-b664-4961cba3ad28
|
delete
|
Modify the molecule CCOC(=O)CC(Br)C(=O)c1ccc(Br)s1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CC(Br)C(=O)c1ccc(Br)s1
|
CCOC(=O)CCC(=O)c1ccc(Br)s1
| null |
halo
|
1ac958c9-163e-4719-908d-a5e9259a57cc
|
delete
|
Please remove a hydroxyl from the molecule CC1(O)CCC2C3C(CCCCCCl)Cc4cc(O)ccc4C3CCC21C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(O)CCC2C3C(CCCCCCl)Cc4cc(O)ccc4C3CCC21C.
|
CC1(O)CCC2C3C(CCCCCCl)Cc4ccccc4C3CCC21C
| null |
hydroxyl
|
226aa929-bfc4-4171-8898-95ea57d03fb4
|
delete
|
Please remove a halo from the molecule C[NH+](C)CC1CCCN1c1ncccc1CBr.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CC1CCCN1c1ncccc1CBr.
|
Cc1cccnc1N1CCCC1C[NH+](C)C
| null |
halo
|
fd0bd898-83bc-4bea-b9ac-83a219ae4ef7
|
delete
|
Modify the molecule IC1CCCC1c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
IC1CCCC1c1ccccc1
|
IC1CCCC1
| null |
benzene
|
f9c9609a-a906-4ed6-abcd-6394d200a47b
|
delete
|
Please remove a halo from the molecule O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(C[NH2+]C2CC2)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(C[NH2+]C2CC2)s1.
|
O=S(=O)(NC1(C(F)F)CC1)c1ccc(C[NH2+]C2CC2)s1
| null |
halo
|
542f5488-4bed-4d42-b3db-52a4798dc8e1
|
delete
|
Modify the molecule CC(C)(NC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(NC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1
|
CC(C)(NC(=O)Nc1ccccc1O)c1ccccc1
| null |
benzene
|
9d212cbc-3b85-4820-943d-9f7a9959f9b9
|
delete
|
Modify the molecule CCOC(=O)CC(O)C[NH+](CC)C(C)C by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CC(O)C[NH+](CC)C(C)C
|
CCOC(=O)CCC[NH+](CC)C(C)C
| null |
hydroxyl
|
e55a223a-1339-4610-b5fa-8fce020b0f2e
|
delete
|
Please remove a halo from the molecule O=S(=O)(c1ccnc(Cl)c1)N1CCc2ccc(F)cc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(c1ccnc(Cl)c1)N1CCc2ccc(F)cc21.
|
O=S(=O)(c1ccncc1)N1CCc2ccc(F)cc21
| null |
halo
|
52537aff-afb3-48b5-8d21-852172b279f6
|
delete
|
Please remove a amide from the molecule Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C.
|
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1(C)nc(-c2ccccc2)s-1
| null |
amide
|
3b61cb0f-160b-4d46-8fb1-4ecd92aad896
|
delete
|
Please remove a amide from the molecule Cc1ccc(CCNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CCNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)c1.
|
Cc1ccc(CCNC(=O)Nc2ccc(F)c(F)c2)c(C)c1
| null |
amide
|
67f9b389-036f-4c1d-bece-463eeb86c391
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(CC([NH3+])c2ccccc2OC)c(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC([NH3+])c2ccccc2OC)c(OC)c1.
|
COc1ccc(CC([NH3+])OC)c(OC)c1
| null |
benzene
|
6b4b3a82-e3d8-434a-9bc9-3ea71fcf9b03
|
delete
|
Please remove a benzene ring from the molecule CCc1ccc(C)cc1OCC(O)COC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(C)cc1OCC(O)COC(C)C.
|
CCCOCC(O)COC(C)C
| null |
benzene
|
17bff0f9-4e6e-4a50-8f82-07f3b25351d5
|
delete
|
Please remove a benzene ring from the molecule Cc1cc(CNc2cc(-c3ccccc3C)nn2C)no1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(CNc2cc(-c3ccccc3C)nn2C)no1.
|
Cc1cc(NCc2cc(C)on2)n(C)n1
| null |
benzene
|
06878e6e-1ea2-4b78-9306-986da8d3c23f
|
delete
|
Please remove a benzene ring from the molecule CCC(=O)N(Cc1cccc(C)c1)C(CC)C(=O)NC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)N(Cc1cccc(C)c1)C(CC)C(=O)NC(C)(C)C.
|
CCC(=O)N(CC)C(CC)C(=O)NC(C)(C)C
| null |
benzene
|
7bbcff4f-0150-458e-a709-9e56caaaf6d6
|
delete
|
Please remove a halo from the molecule CCC(C)(C)C([NH2+]C)c1c(Cl)cnn1C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)(C)C([NH2+]C)c1c(Cl)cnn1C(C)C.
|
CCC(C)(C)C([NH2+]C)c1ccnn1C(C)C
| null |
halo
|
74b48850-a074-45e7-a731-f532f873f2b4
|
delete
|
Modify the molecule CC=C(NC(=O)C1OC(C)(C)OC1C(N)=O)c1ccc(-c2ccc(-c3c[nH+]c(C4OC(C)(C)OC4C(N)=O)[nH]3)cc2)cc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC=C(NC(=O)C1OC(C)(C)OC1C(N)=O)c1ccc(-c2ccc(-c3c[nH+]c(C4OC(C)(C)OC4C(N)=O)[nH]3)cc2)cc1
|
CC=C(NC(=O)C1OC(C)(C)OC1C(N)=O)c1ccc(-c2ccc(-c3c[nH+]c(C4OC(C)(C)O4)[nH]3)cc2)cc1
| null |
amide
|
148bc633-1136-40a3-89ff-3dbc21ea50f7
|
delete
|
Modify the molecule O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1
|
O=C1NC(=O)N(c2cccc(C(F)F)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1
| null |
halo
|
31aa113f-bcd3-4989-9956-79cfc1483a4f
|
delete
|
Modify the molecule COC(=O)c1cc(C)[nH]c2nc(SCC(=O)Nc3cc4c(cc3Cl)OCCCO4)nc(=O)c1-2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1cc(C)[nH]c2nc(SCC(=O)Nc3cc4c(cc3Cl)OCCCO4)nc(=O)c1-2
|
COC(=O)c1cc(C)[nH]c2nc(Sc3cc4c(cc3Cl)OCCCO4)nc(=O)c1-2
| null |
amide
|
dd4faa3e-7598-4dbe-af5b-f309d985f551
|
delete
|
Please remove a amide from the molecule O=C1C[NH+](C2CCC(NC(=O)Cc3ccc4c(c3)CCC4)C2O)CCN1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C[NH+](C2CCC(NC(=O)Cc3ccc4c(c3)CCC4)C2O)CCN1.
|
O=C(Cc1ccc2c(c1)CCC2)NC1CCC([NH+]2CC2)C1O
| null |
amide
|
480ac5ee-8585-4049-b14a-5e3786544a99
|
delete
|
Modify the molecule FC(F)(F)C(CBr)c1ccc(Br)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
FC(F)(F)C(CBr)c1ccc(Br)cc1
|
FC(F)(F)C(Br)CBr
| null |
benzene
|
83b03536-1570-4a10-817c-dd2dfc9c9ec0
|
delete
|
Modify the molecule COCC(C)n1cc(C)[nH+]c1Nc1ccc(OC)cc1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(C)n1cc(C)[nH+]c1Nc1ccc(OC)cc1C
|
COCC(C)n1cc(C)[nH+]c1N(C)OC
| null |
benzene
|
1001219b-b814-4fa9-942f-a74acdb1651d
|
delete
|
Please remove a nitrile from the molecule CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1C#N.
|
CN(Cc1cccc(Br)c1)S(=O)(=O)c1cccnc1
| null |
nitrile
|
8138fcb6-9ba6-4f4f-a263-1bf49cc453f8
|
delete
|
Modify the molecule Cc1cnc(NN)nc1NC(C)(C)CCc1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cnc(NN)nc1NC(C)(C)CCc1ccccc1
|
CCC(C)(C)Nc1nc(NN)ncc1C
| null |
benzene
|
d9c0e758-781b-4caa-822b-820e0cef62df
|
delete
|
Modify the molecule Cc1c(CCO)sc[n+]1Cc1cccc([N+](=O)[O-])c1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(CCO)sc[n+]1Cc1cccc([N+](=O)[O-])c1
|
CCc1sc[n+](Cc2cccc([N+](=O)[O-])c2)c1C
| null |
hydroxyl
|
0e940184-4b23-4441-9fc3-99a33f39ffb6
|
delete
|
Modify the molecule Cc1cc(C)c(C(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(C(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C)c1
|
CCCC(=O)COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
| null |
benzene
|
3ed54e0f-dff4-45bc-a136-d96d362f4e3b
|
delete
|
Please remove a benzene ring from the molecule [C-]#[N+]c1c(C)c(N=Nc2ccccc2O)c(=O)n(Cc2ccc(-c3ccccc3)cc2)c1[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
[C-]#[N+]c1c(C)c(N=Nc2ccccc2O)c(=O)n(Cc2ccc(-c3ccccc3)cc2)c1[O-].
|
[C-]#[N+]c1c(C)c(N=Nc2ccccc2O)c(=O)n(Cc2ccccc2)c1[O-]
| null |
benzene
|
ad5541dd-ccd2-4ed5-95f0-ec8fb55f11ef
|
delete
|
Modify the molecule Oc1c(C2CCc3ccccc3C2O)ccc2ccccc12 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Oc1c(C2CCc3ccccc3C2O)ccc2ccccc12
|
Oc1c(C2CCc3ccccc3C2)ccc2ccccc12
| null |
hydroxyl
|
2d7c81f1-15d6-4230-8552-b4af393cb91c
|
delete
|
Please remove a benzene ring from the molecule C[NH2+]CC1(C[NH+](CCO)Cc2ccccc2)CCOCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CC1(C[NH+](CCO)Cc2ccccc2)CCOCC1.
|
C[NH2+]CC1(C[NH+](C)CCO)CCOCC1
| null |
benzene
|
ac23f844-2f78-4d6b-a6f7-0f241bbe3df9
|
delete
|
Modify the molecule Cc1cc(C(=O)NN=Cc2ccc(O)c(Cl)c2)nc(=O)[nH]1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)NN=Cc2ccc(O)c(Cl)c2)nc(=O)[nH]1
|
Cc1cc(C(=O)NN=COCl)nc(=O)[nH]1
| null |
benzene
|
64231734-3fa0-4bef-84a3-d15e3a51efcc
|
delete
|
Please remove a amide from the molecule CC(C)CONC(=O)CC1CCC[NH2+]C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CONC(=O)CC1CCC[NH2+]C1.
|
CC(C)COC1CCC[NH2+]C1
| null |
amide
|
b1f84bc4-2fa2-4069-bd85-e1a2afe9afb9
|
delete
|
Modify the molecule CCOC(=O)Cn1c(=NC(=O)CSCC(=O)N2CCCCC2C)sc2cc(OCC)ccc21 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)Cn1c(=NC(=O)CSCC(=O)N2CCCCC2C)sc2cc(OCC)ccc21
|
CCOC(=O)Cn1c(=NC(=O)C[SH]2CCCCC2C)sc2cc(OCC)ccc21
| null |
amide
|
f4ecc4d6-4faf-4bb0-81e4-f4801bc81144
|
delete
|
Modify the molecule Nc1onc(Cc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1-c1cccc(C(F)(F)F)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1onc(Cc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1-c1cccc(C(F)(F)F)c1
|
Nc1onc(Cc2ccccc2NC(=O)Nc2ccc(-c3ccccc3)nn2)c1-c1cccc(C)c1
| null |
halo
|
7ef4f9bd-3b7c-4e63-baa4-37fe995259e1
|
delete
|
Please remove a nitrile from the molecule Cc1cc(N(C)C(C)CC#N)ncn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(N(C)C(C)CC#N)ncn1.
|
Cc1cc(N(C)C(C)C)ncn1
| null |
nitrile
|
31c6be31-13e7-4daf-a88b-bfda979de9cf
|
delete
|
Modify the molecule Cc1nc(C)c(Cc2ccccc2)c(N2CCCN(C(=O)CC(C)(C)C)CC2)n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C)c(Cc2ccccc2)c(N2CCCN(C(=O)CC(C)(C)C)CC2)n1
|
Cc1nc(C)c(C)c(N2CCCN(C(=O)CC(C)(C)C)CC2)n1
| null |
benzene
|
268baf80-d860-4796-acf0-ddb55ee4f631
|
delete
|
Please remove a benzene ring from the molecule O=S1(=O)CCC(CNC(NC2CCOCC2)=[NH+]Cc2cccc(Cl)c2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S1(=O)CCC(CNC(NC2CCOCC2)=[NH+]Cc2cccc(Cl)c2)C1.
|
O=S1(=O)CCC(CNC(NC2CCOCC2)=[NH+]CCl)C1
| null |
benzene
|
af5108bd-6726-42ed-93d0-daa566bde1d8
|
delete
|
Modify the molecule O=C1C(SCC(O)c2ccc(F)cc2Cl)C(c2ccc(O)cc2)N1c1ccc(-c2cccnc2)cc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C(SCC(O)c2ccc(F)cc2Cl)C(c2ccc(O)cc2)N1c1ccc(-c2cccnc2)cc1
|
O=C1C(SCC(O)c2ccc(F)cc2Cl)C(c2ccccc2)N1c1ccc(-c2cccnc2)cc1
| null |
hydroxyl
|
533ebdbe-97d3-4bcd-ac15-d0f1bd6bb382
|
delete
|
Please remove a benzene ring from the molecule CN(C)C(=O)n1nnc(-c2ccc(Oc3ccccc3)cc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)n1nnc(-c2ccc(Oc3ccccc3)cc2)n1.
|
CN(C)C(=O)n1nnc(Oc2ccccc2)n1
| null |
benzene
|
7c1d34b9-b10b-4d29-81b1-dda3a368a1fd
|
delete
|
Please remove a hydroxyl from the molecule C=CCC(C=C)OC(=O)NC1CCCC2C1=C(C(=O)[O-])N1C(=O)C(C(C)O)C21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCC(C=C)OC(=O)NC1CCCC2C1=C(C(=O)[O-])N1C(=O)C(C(C)O)C21.
|
C=CCC(C=C)OC(=O)NC1CCCC2C1=C(C(=O)[O-])N1C(=O)C(CC)C21
| null |
hydroxyl
|
ff4fa243-f4f6-4ab9-997b-c991a6b541f8
|
delete
|
Please remove a halo from the molecule CCCC[Te](I)(CC#N)CCCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC[Te](I)(CC#N)CCCC.
|
CCCC[Te](CC#N)CCCC
| null |
halo
|
e69d9cc3-c7da-49cb-a52f-d34b0bed15aa
|
delete
|
Modify the molecule C#CC#CC#CCC(CCOCC(CC)NS(=O)(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CC#CC#CCC(CCOCC(CC)NS(=O)(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC
|
C#CC#CC#CCC(CCOCC(CC)S(=O)(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC
| null |
amine
|
a8f4d85c-ba3c-4f69-947d-cb8f67cbf5a5
|
delete
|
Modify the molecule CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc([N+](=O)[O-])cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc([N+](=O)[O-])cc1
|
CC(=NNC(=O)c1cc2ccc(C)cc2s1)c1ccc([N+](=O)[O-])cc1
| null |
halo
|
b4cc3f84-15df-458a-b4b8-982f87d04ca2
|
delete
|
Modify the molecule COc1cc(C(=O)N(CC2CCCO2)c2nc3c(OC)ccc(Cl)c3s2)nc(OC)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(C(=O)N(CC2CCCO2)c2nc3c(OC)ccc(Cl)c3s2)nc(OC)n1
|
COc1cc(C(=O)N(CC2CCCO2)c2nc3c(OC)cccc3s2)nc(OC)n1
| null |
halo
|
4d1dc251-8f67-4c50-8482-b05f79cfcf61
|
delete
|
Please remove a amine from the molecule CNC(=O)C(C)(C)NS(=O)(=O)c1ccc(C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)C(C)(C)NS(=O)(=O)c1ccc(C)cc1.
|
CNC(=O)C(C)(C)S(=O)(=O)c1ccc(C)cc1
| null |
amine
|
b4750ea0-0d75-4007-95a0-d747c767de18
|
delete
|
Please remove a halo from the molecule COc1cc(OC)c2c(c1)c(I)cn2C(=O)OC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(OC)c2c(c1)c(I)cn2C(=O)OC(C)(C)C.
|
COc1cc(OC)c2c(ccn2C(=O)OC(C)(C)C)c1
| null |
halo
|
a2606d0c-0abf-47c4-944a-583e310309a2
|
delete
|
Please remove a amide from the molecule Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1.
|
Cc1ccc(NC(=O)Cn2cc(C3C(=O)NC(=O)C3c3ccco3)c3ccccc32)cc1
| null |
amide
|
eabd0486-cbca-41e8-8b25-6a031db9a913
|
delete
|
Please remove a benzene ring from the molecule [N-]=[N+]=C1C2CC3C(=O)C(CC1C3c1ccccc1)C2c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[N-]=[N+]=C1C2CC3C(=O)C(CC1C3c1ccccc1)C2c1ccccc1.
|
[N-]=[N+]=C1C2CC3CC1C(c1ccccc1)C(C2)C3=O
| null |
benzene
|
ebfb995e-3723-449e-bae8-99bd42407882
|
delete
|
Modify the molecule C[NH+]=C(NCc1ccn[nH]1)NCC(c1ccccc1)c1ccccc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCc1ccn[nH]1)NCC(c1ccccc1)c1ccccc1
|
C[NH+]=C(CC(c1ccccc1)c1ccccc1)NCc1ccn[nH]1
| null |
amine
|
df9b11b3-d36d-4a32-b7dd-e592f6206598
|
delete
|
Please remove a halo from the molecule Fc1cccc(Cl)c1CN(CCCl)CC(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Fc1cccc(Cl)c1CN(CCCl)CC(F)F.
|
CCN(Cc1c(F)cccc1Cl)CC(F)F
| null |
halo
|
1cf1691b-b295-408f-8cd5-7316bfab4e56
|
delete
|
Please remove a benzene ring from the molecule CCOC12CCCC1N(c1ccccc1)NC(=O)N2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC12CCCC1N(c1ccccc1)NC(=O)N2.
|
CCOC12CCCC1NNC(=O)N2
| null |
benzene
|
7f872d3a-b9bd-453f-9436-735b95962415
|
delete
|
Please remove a benzene ring from the molecule O=C1OCC2C(CCc3ccccc3)N12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1OCC2C(CCc3ccccc3)N12.
|
CCC1C2COC(=O)N12
| null |
benzene
|
cfffd251-1c6c-466d-a899-92b399298ca8
|
delete
|
Please remove a halo from the molecule Cc1cc(C)c(C(=O)C(C)(C)C[NH3+])c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(C(=O)C(C)(C)C[NH3+])c(F)c1.
|
Cc1ccc(C(=O)C(C)(C)C[NH3+])c(C)c1
| null |
halo
|
16f8b120-a279-4d38-8ac2-acc519d90677
|
delete
|
Please remove a amide from the molecule C[NH2+]CC1CCCN(C(=O)C2NNC(c3ccccc3)C2Br)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CC1CCCN(C(=O)C2NNC(c3ccccc3)C2Br)C1.
|
C[NH2+]CC1CCC(C2(Br)NNC2c2ccccc2)C1
| null |
amide
|
5ea3f7b7-02f7-4f2c-ac23-4ec83fe25787
|
delete
|
Please remove a amine from the molecule CCC(C)c1nc(N)cc(-c2ccc(OC)cc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)c1nc(N)cc(-c2ccc(OC)cc2)n1.
|
CCC(C)c1nccc(-c2ccc(OC)cc2)n1
| null |
amine
|
6745d9c7-0771-4b70-8509-28b44a990ce5
|
delete
|
Modify the molecule CCCCCCCCCCCCc1ccc(O)c(C[NH+](CC)CC)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCc1ccc(O)c(C[NH+](CC)CC)c1
|
CCCCCCCCCCCCC(O)[NH+](CC)CC
| null |
benzene
|
0420dae2-c1a5-44fb-bf02-4834a4296cd2
|
delete
|
Modify the molecule CC(C)CC(NC(=O)CCC1CCCCN1C(=O)[O-])C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC(NC(=O)CCC1CCCCN1C(=O)[O-])C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl
|
CC(C)CC(CC1CCCCN1C(=O)[O-])C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl
| null |
amide
|
5c07b1db-643e-4049-89d7-f4d876dfabeb
|
delete
|
Modify the molecule Nc1ccccc1OCCS(=O)(=O)N1CCCSCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccccc1OCCS(=O)(=O)N1CCCSCC1
|
NOCCS(=O)(=O)N1CCCSCC1
| null |
benzene
|
579e58b5-4533-4512-8c36-b154a5ba0610
|
delete
|
Modify the molecule COC(=O)C(C)(O)n1cnc2c(N)ncnc21 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(C)(O)n1cnc2c(N)ncnc21
|
COC(=O)C(C)(O)n1cnc2cncnc21
| null |
amine
|
4ec4a6da-4e32-478d-a2c6-1fb7bc58b195
|
delete
|
Modify the molecule Cc1ccccc1CC(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1CC(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1
|
CCC(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1
| null |
benzene
|
1e3cfd3e-ba0d-4c6f-9a12-99013f4ea19f
|
delete
|
Modify the molecule COc1ccc([N+](=O)[O-])cc1CC1CC(c2ccc(OC)c(OC3CCCC3)c2)COC1=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc([N+](=O)[O-])cc1CC1CC(c2ccc(OC)c(OC3CCCC3)c2)COC1=O
|
COc1ccc([N+](=O)[O-])cc1CC1CC(OC)(OC2CCCC2)COC1=O
| null |
benzene
|
c63a2710-5322-4609-9d5d-f91eb878220d
|
delete
|
Modify the molecule CC(=O)N1CCN(C(=O)c2ccoc2Cl)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1CCN(C(=O)c2ccoc2Cl)CC1
|
CC(=O)N1CCN(C(=O)c2ccoc2)CC1
| null |
halo
|
f2c665cc-603e-4564-9610-a5fdcea401dc
|
delete
|
Modify the molecule Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(Br)c3)c(C)n2n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc2nc(C)c(CCC(=O)Nc3ccc(C)c(Br)c3)c(C)n2n1
|
Cc1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1
| null |
halo
|
fd4b7a71-6240-4c89-bcd2-578685cd688e
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc(NC(=O)c2ccc3c(N=Nc4c(C#N)cnn4-c4ncccn4)c(O)c(C(=O)Nc4ccc(C)cc4)cc3c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)c2ccc3c(N=Nc4c(C#N)cnn4-c4ncccn4)c(O)c(C(=O)Nc4ccc(C)cc4)cc3c2)cc1.
|
CNC(=O)c1cc2cc(C(=O)Nc3ccc(C)cc3)ccc2c(N=Nc2c(C#N)cnn2-c2ncccn2)c1O
| null |
benzene
|
7f1e5f43-906d-49f6-afa7-565d0f71970c
|
delete
|
Modify the molecule CCN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc2C(F)(F)F)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc(Cl)c(Oc4ncnc5c4OCCN5)c3)cc2C(F)(F)F)CC1
|
CCN1CC[NH+](CN(C(=O)Nc2ccc(Cl)c(Oc3ncnc4c3OCCN4)c2)C(F)(F)F)CC1
| null |
benzene
|
aa849b07-3c39-41c9-b033-341d33aa30e0
|
delete
|
Modify the molecule O=C(CN(C(=O)c1ccco1)C1CC1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN(C(=O)c1ccco1)C1CC1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
|
O=C(CN(C(=O)c1ccco1)C1CC1)N1CCCN(c2ccc(nn2)CC1
| null |
benzene
|
a2567e8e-2651-47ca-87df-53cb0f8380ef
|
delete
|
Modify the molecule C#CCNC(=O)C(C)[NH2+]C(C)(C)C(C)O by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCNC(=O)C(C)[NH2+]C(C)(C)C(C)O
|
C#CC(C)[NH2+]C(C)(C)C(C)O
| null |
amide
|
88a96acb-8498-4b4a-a88b-751b0be4c800
|
delete
|
Please remove a benzene ring from the molecule CCNC(=[NH+]CC1(c2cccc(Cl)c2)CCCC1)N1CCC(CC(=O)NC)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=[NH+]CC1(c2cccc(Cl)c2)CCCC1)N1CCC(CC(=O)NC)CC1.
|
CCNC(=[NH+]CC1(Cl)CCCC1)N1CCC(CC(=O)NC)CC1
| null |
benzene
|
6e7acb3f-db8d-4544-87ea-69c67d6ef7b4
|
delete
|
Please remove a amine from the molecule Cc1ccccc1C=CCC1C(=O)N(C)C(N)=[NH+]C1(C)c1cc(-c2cccc(N)c2)cs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1C=CCC1C(=O)N(C)C(N)=[NH+]C1(C)c1cc(-c2cccc(N)c2)cs1.
|
Cc1ccccc1C=CCC1C(=O)N(C)C(N)=[NH+]C1(C)c1cc(-c2ccccc2)cs1
| null |
amine
|
933b5adf-e051-4087-8291-930d2828517a
|
delete
|
Modify the molecule CCc1ccc(-c2c[n+]3c(n2-c2ccc(Cl)cc2)CCCCC3)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(-c2c[n+]3c(n2-c2ccc(Cl)cc2)CCCCC3)cc1
|
CCc1ccc(-c2c[n+]3c(n2-c2ccccc2)CCCCC3)cc1
| null |
halo
|
c61bbe10-5938-48d3-b84b-1ed48f3d441d
|
delete
|
Please remove a amide from the molecule CCc1nc(CCNC(=O)C2CCC2)cs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(CCNC(=O)C2CCC2)cs1.
|
CCc1nc(CCC2CC2)cs1
| null |
amide
|
d39bf0d4-90ae-4402-ab56-824e328f9183
|
delete
|
Please remove a amide from the molecule CN(C)C(=O)C1=CC(=CO)C(C=O)=C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)C1=CC(=CO)C(C=O)=C1.
|
C1=CC(=CO)C(C=O)=C1
| null |
amide
|
8baef4ab-8d96-4329-bf0c-71e29d5c9480
|
delete
|
Please remove a amine from the molecule Nc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCOCC1CO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCOCC1CO.
|
O=C([O-])c1ccc(S(=O)(=O)N2CCOCC2CO)cc1
| null |
amine
|
08f1cdc0-edeb-407a-a3da-91873860833c
|
delete
|
Please remove a benzene ring from the molecule Cc1sc2c3ccccc3p(-c3ccccc3)c2c1C1=C(P(c2ccccc2)c2ccccc2)C2CCC1(C)C2(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1sc2c3ccccc3p(-c3ccccc3)c2c1C1=C(P(c2ccccc2)c2ccccc2)C2CCC1(C)C2(C)C.
|
Cc1sc2c3ccccc3p(-c3ccccc3)c2c1C1=C(Pc2ccccc2)C2CCC1(C)C2(C)C
| null |
benzene
|
1baedf16-9675-4a1d-a95d-cbd0efa0abec
|
delete
|
Modify the molecule CN(C)c1cccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1cccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1
|
CN(C)c1cccc(C(=O)NCC(O)C(=O)Nc2ccc3c(N)nccc3c2)c1
| null |
benzene
|
74169ba7-8b40-49db-82bf-6bc0ff7b6203
|
delete
|
Modify the molecule CN(C)C(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1
|
CN(C)C(=O)N1CCC(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1
| null |
halo
|
2662e4d2-6488-4efb-b985-d1abff6ec013
|
delete
|
Modify the molecule Cc1cccc(Cl)c1N1CC(c2nc(-c3ccc(F)c(Cl)c3)no2)CC1=O by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(Cl)c1N1CC(c2nc(-c3ccc(F)c(Cl)c3)no2)CC1=O
|
Cc1cccc(Cl)c1C(C)c1nc(-c2ccc(F)c(Cl)c2)no1
| null |
amide
|
3c4969e3-e407-4ec7-9188-4e83c2f3eb74
|
delete
|
Please remove a hydroxyl from the molecule CCCCCCCCC=CCCCCCCCC(=O)PNC(CO)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCC=CCCCCCCCC(=O)PNC(CO)C(=O)[O-].
|
CCCCCCCCC=CCCCCCCCC(=O)PNC(C)C(=O)[O-]
| null |
hydroxyl
|
8a6befbd-e4c8-4d1e-8b78-d0fdde46419c
|
delete
|
Please remove a halo from the molecule Cc1cc(C(O)c2cccc3c2OCCC3)c(F)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(O)c2cccc3c2OCCC3)c(F)cc1F.
|
Cc1cc(C(O)c2cccc3c2OCCC3)ccc1F
| null |
halo
|
07db22d8-73a0-46d1-86c0-a0a1a986c307
|
delete
|
Modify the molecule Fc1c(Cl)cc(F)c2[nH]ccc12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Fc1c(Cl)cc(F)c2[nH]ccc12
|
Fc1ccc(F)c2[nH]ccc12
| null |
halo
|
992f41b1-a90a-4f68-bff6-ef2f6b8b3d76
|
delete
|
Please remove a amide from the molecule O=C1CN(C(=O)Nc2ccc(Cl)c(Br)c2)C(C(=O)[O-])CN1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CN(C(=O)Nc2ccc(Cl)c(Br)c2)C(C(=O)[O-])CN1.
|
O=C([O-])C1CN1C(=O)Nc1ccc(Cl)c(Br)c1
| null |
amide
|
81cc244e-2c78-47f4-a003-701cb88aa409
|
delete
|
Please remove a benzene ring from the molecule CCCCCC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC(C)(C)C[NH2+]Cc1ccc(C[NH3+])cc1.
|
CCCCCC(C)(C)C[NH2+]CC[NH3+]
| null |
benzene
|
19909b49-2880-444d-830c-c40f85635b8a
|
delete
|
Please remove a hydroxyl from the molecule Cc1cc(C)c(C[NH3+])c(N2CC[NH+](CC(C)(C)O)CC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(C[NH3+])c(N2CC[NH+](CC(C)(C)O)CC2)n1.
|
Cc1cc(C)c(C[NH3+])c(N2CC[NH+](CC(C)C)CC2)n1
| null |
hydroxyl
|
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