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 |
|---|---|---|---|---|---|---|
2c5eaf31-4266-44ee-966e-957bc162f7e9
|
delete
|
Please remove a amide from the molecule CC[NH+](CCC[NH+](C)C)CC(=O)NC(C(C)=O)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CCC[NH+](C)C)CC(=O)NC(C(C)=O)C(C)C.
|
CC[NH+](CCC[NH+](C)C)C(C(C)=O)C(C)C
| null |
amide
|
032999a7-61e0-4378-96ee-73ebfd71527f
|
delete
|
Please remove a amide from the molecule COc1ccc2sc(N3CC[NH+](CCNC(C)=O)CC3)nc2c1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc2sc(N3CC[NH+](CCNC(C)=O)CC3)nc2c1OC.
|
CC[NH+]1CCN(c2nc3c(OC)c(OC)ccc3s2)CC1
| null |
amide
|
484564f9-2479-42b1-8616-205bf6994bcb
|
delete
|
Please remove a amide from the molecule COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.
|
COc1ccc(C(=O)COc2cc(Cl)ccc(Cl)c2)cc1
| null |
amide
|
cb8de474-1f95-412b-84be-e25e64f60d73
|
delete
|
Please remove a benzene ring from the molecule C[NH+]=C(NCc1ccc(OC)cc1OC)NCC1CCN(c2ccccc2OC)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCc1ccc(OC)cc1OC)NCC1CCN(c2ccccc2OC)C1.
|
C[NH+]=C(NCC1CCN(c2ccccc2OC)C1)NC(OC)OC
| null |
benzene
|
d37155e2-40ac-4cd1-8654-bc0e3f2e9415
|
delete
|
Modify the molecule Cc1[nH]nc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)c1Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1[nH]nc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)c1Cl
|
Cc1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(SOOO)cc(O)c3c2N)n[nH]1
| null |
halo
|
3e16dbf9-a7ac-4645-889c-83db1c064c47
|
delete
|
Modify the molecule Cc1sc2ncn(CCC(=O)N(C)C3CC[NH2+]C3)c(=O)c2c1C by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1sc2ncn(CCC(=O)N(C)C3CC[NH2+]C3)c(=O)c2c1C
|
Cc1sc2ncn(CC3(C)CC[NH2+]C3)c(=O)c2c1C
| null |
amide
|
47ad2942-a2af-4d7e-bb65-c338ec118adf
|
delete
|
Please remove a halo from the molecule O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1F.
|
O=C1OC(c2ccc(I)c(Br)c2)=NC1=Cc1ccccc1
| null |
halo
|
be00909b-2514-4323-82a4-dce32ff44269
|
delete
|
Please remove a amide from the molecule CN(C)C(=O)NCCNC(=O)COC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)NCCNC(=O)COC(C)(C)C.
|
CN(C)C(=O)NCCOC(C)(C)C
| null |
amide
|
9d75f5c9-10e0-40dd-b187-3866b478907b
|
delete
|
Modify the molecule Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCC1C1CCCC1O by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCC1C1CCCC1O
|
Cc1cc(=O)[nH]c(C)c1CCC(=O)N1CCOCC1C1CCCC1O
| null |
nitrile
|
c500f641-3c8e-41fb-84fd-e0d7559a6cb1
|
delete
|
Please remove a benzene ring from the molecule COc1ccc2cc(-c3ccnc(NC4CC[NH+](Cc5ccccc5)CC4)n3)cc(NC(=O)[O-])c2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc2cc(-c3ccnc(NC4CC[NH+](Cc5ccccc5)CC4)n3)cc(NC(=O)[O-])c2c1.
|
COc1ccc2cc(-c3ccnc(NC4CC[NH+](C)CC4)n3)cc(NC(=O)[O-])c2c1
| null |
benzene
|
7600e431-10ed-4b89-a48c-523fb712344f
|
delete
|
Please remove a benzene ring from the molecule CCOC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O.
|
CCOC(=C[P+](c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O
| null |
benzene
|
12abd738-f1ba-4be9-a5ad-7c7d2e7321b4
|
delete
|
Modify the molecule Cc1cc(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)no1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)no1
|
Cc1cc(CCCC(=O)c2ccc3c(c2)OCCO3)no1
| null |
amide
|
a581f1da-b1d6-4eaa-9613-d96734fbb5ed
|
delete
|
Modify the molecule CCC1CS(=O)CC(c2ccc(F)cc2)N1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CS(=O)CC(c2ccc(F)cc2)N1
|
CCC1CS(=O)CC(F)N1
| null |
benzene
|
b8fcc857-786e-4b51-85a5-8241fa631a7c
|
delete
|
Please remove a amine from the molecule Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCOC2CCCCC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCOC2CCCCC2)c1.
|
Cc1ccc(C)c(S(=O)(=O)CCC(=O)NCCCOC2CCCCC2)c1
| null |
amine
|
6d05ea45-fdb3-4bff-9a8a-d8a05b046d3c
|
delete
|
Please remove a benzene ring from the molecule CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(-c6ccc(CCCC)cc6)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(-c6ccc(CCCC)cc6)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.
|
CCCCCC1CCC(c2ccc(-c3ccc(Sc4cccc5c4C(=O)c4cc(CCCC)cc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1
| null |
benzene
|
87c573a1-b85f-45b6-b567-18fa18a1838b
|
delete
|
Modify the molecule O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)c(F)cc1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)c(F)cc1F
|
O=[N+]([O-])c1cc(NC2Cc3ccccc3C2)ccc1F
| null |
halo
|
e677f569-e8d4-4d6d-a5e0-9f4a3e7ad6dd
|
delete
|
Please remove a halo from the molecule Nc1nc(=O)n(C2OC(CO)(CF)C(O)C2F)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1nc(=O)n(C2OC(CO)(CF)C(O)C2F)cc1F.
|
Nc1ccn(C2OC(CO)(CF)C(O)C2F)c(=O)n1
| null |
halo
|
fd781c5b-cf9a-42b2-9427-7034068db05b
|
delete
|
Modify the molecule CCCC[Si](C)(C)CNC(=O)CCS by removing a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC[Si](C)(C)CNC(=O)CCS
|
CCCC[Si](C)(C)CNC(=O)CC
| null |
thiol
|
45192fbe-5a55-4509-9687-b0a2f1d84632
|
delete
|
Please remove a halo from the molecule Cc1nc(-c2ccc(F)c(C)c2)c(Br)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(-c2ccc(F)c(C)c2)c(Br)s1.
|
Cc1nc(-c2cccc(C)c2)cs1
| null |
halo
|
8b5beeed-662b-4803-a3e4-47b3b6baa557
|
delete
|
Modify the molecule COCCc1onc(N)c1-c1cccc(C(F)(F)F)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCc1onc(N)c1-c1cccc(C(F)(F)F)c1
|
COCCc1onc(N)c1-c1cccc(C(F)F)c1
| null |
halo
|
0542f7e3-7de4-45ea-af49-8914af00e809
|
delete
|
Please remove a halo from the molecule CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CC(C)C.
|
CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2CC(C)C
| null |
halo
|
bb3cdc33-9983-444b-8920-bc78d1adb902
|
delete
|
Please remove a halo from the molecule Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)(F)F)cc1S2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)(F)F)cc1S2.
|
Cc1ccc2c(c1)C([NH+]1CCN(CCN3CCCC3=O)CC1)Cc1ccc(C(F)F)cc1S2.
| null |
halo
|
b0b40daa-d447-45e5-85f0-beb559622652
|
delete
|
Please remove a halo from the molecule O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2.
|
O=C(Cc1cc(F)c(F)c(F)c1F)Nc1nc2c(nc1CCC1CCCCC1)-c1ccccc1CC2
| null |
halo
|
3ffe94b0-dc82-4c36-899d-d14bb1d03b8b
|
delete
|
Modify the molecule CS(=O)(=O)N1C=C(c2ccccc2)C2C(=O)C(=O)C(C(=O)[O-])=CC21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)N1C=C(c2ccccc2)C2C(=O)C(=O)C(C(=O)[O-])=CC21
|
CS(=O)(=O)N1C=CC2C(=O)C(=O)C(C(=O)[O-])=CC21
| null |
benzene
|
ba59417b-9d7f-4df8-96c2-9a9445ba9c91
|
delete
|
Modify the molecule COc1ccc(NC(CO)CO)cc1OC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(NC(CO)CO)cc1OC
|
COc1ccc(C(CO)CO)cc1OC
| null |
amine
|
fc1e0297-b82a-4de1-97e5-396f304a314e
|
delete
|
Please remove a amide from the molecule CC(=O)N1CCc2cc(NC(=O)c3cc(-c4cccnc4)nc4c3cnn4Cc3ccco3)ccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1CCc2cc(NC(=O)c3cc(-c4cccnc4)nc4c3cnn4Cc3ccco3)ccc21.
|
O=C(Nc1ccc2c(c1)CC2)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1
| null |
amide
|
808c073d-87ec-4444-ae48-724c9b87c665
|
delete
|
Modify the molecule CC=C(C)C1OC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC=C(C)C1OC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C
|
CC=C(C)C1OC(=O)C(C)N(C(C)CC)C(=O)CN(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C)=CCC(OC(=O)NCCCNC(=O)CCCCCN2C(=O)C=CC2=O)C1C
| null |
amide
|
2eaae0dd-e008-4c78-822f-f846521b4e9f
|
delete
|
Modify the molecule COc1ccc2c(c1)c1c(n2CO)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc2c(c1)c1c(n2CO)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1
|
COc1ccc2c(c1)c1c(n2C)C[NH+]2CCc3cc(OC)c(OCc4ccc(-n5cccn5)cc4)cc3C2C1
| null |
hydroxyl
|
93431b1d-cc2d-4ef0-9e66-d7d7fba12603
|
delete
|
Please remove a benzene ring from the molecule CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1.
|
CCNC(=O)C1(Cc2ccccc2)CCN(C(=O)C2NNC(CC)C2C)C1
| null |
benzene
|
6ac495c0-1c2d-45ba-a762-288871c125cd
|
delete
|
Modify the molecule Cn1ccnc1S(=O)(=O)Nc1scnc1C(=O)[O-] by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1ccnc1S(=O)(=O)Nc1scnc1C(=O)[O-]
|
Cn1ccnc1S(=O)(=O)c1scnc1C(=O)[O-]
| null |
amine
|
e05f0ed9-7ed1-42de-a4d8-db2076ff1c1c
|
delete
|
Please remove a hydroxyl from the molecule CCn1nccc1C(O)Cc1ccnc(N)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1nccc1C(O)Cc1ccnc(N)c1.
|
CCn1nccc1CCc1ccnc(N)c1
| null |
hydroxyl
|
b118a6f4-2df5-4ea0-af01-42ec0a6bf344
|
delete
|
Please remove a amide from the molecule Cn1cc(-c2[nH]ncc2C(=O)NC2CCC3(CCCCC3)CC2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cc(-c2[nH]ncc2C(=O)NC2CCC3(CCCCC3)CC2)cn1.
|
Cn1cc(-c2(C3CCC4(CCCCC4)CC3)[nH]nc-2)cn1
| null |
amide
|
10503a6e-bee7-49b5-8401-4747df8334e4
|
delete
|
Please remove a halo from the molecule CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.
|
CCCCN1CN(Cc2ccc3ccccc3c2)C=C1Cl
| null |
halo
|
69079412-2bb3-4781-a7d5-11472d71bc4f
|
delete
|
Please remove a halo from the molecule COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1c(Cl)cc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl.
|
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3C)C2c2ccc(N(C)C)cc2)c(OC)c1Cl
| null |
halo
|
c2f3dbad-68b5-44d5-ae10-6b52eb4b670c
|
delete
|
Please remove a benzene ring from the molecule COC(=O)C=Cc1ccc(-c2nc(-c3ccc4oc5c(C(=O)OC)cccc5c4c3)cs2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C=Cc1ccc(-c2nc(-c3ccc4oc5c(C(=O)OC)cccc5c4c3)cs2)cc1.
|
COC(=O)C=Cc1nc(-c2ccc3oc4c(C(=O)OC)cccc4c3c2)cs1
| null |
benzene
|
ba711711-ac82-4a72-a04e-5b8c53a268d2
|
delete
|
Please remove a amine from the molecule CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)NCCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)NCCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S.
|
CCN1CC(=O)N(C(C)(C)CCNC(=S)NCCCNC(=S)CCC(C)(C)N2C(=O)CN(CC)C2=S)C1=S
| null |
amine
|
8f2d1647-7b53-4059-8788-641e1ee12d43
|
delete
|
Modify the molecule CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2C2CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC2=O)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2C2CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC2=O)cc1
|
CCCCCCCCCCCCCCCCCOc1ccccc1C1CC(C(=O)[O-])C(CCCCCCCCCC)(CCCCCCCCCC)OC1=O
| null |
benzene
|
9a392557-11a8-480c-ba5c-2604cb688b53
|
delete
|
Please remove a benzene ring from the molecule COC(=O)C(Cc1ccccc1)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(Cc1ccccc1)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21.
|
COC(=O)C(C)N1CCN2c3ccccc3C3=[C+]C=CC=C3C21
| null |
benzene
|
61104df8-0333-4a3b-81e5-6b453390c01d
|
delete
|
Modify the molecule Cc1ccc2[nH+]c(C(F)(F)F)cc(N3CCCC[NH2+]CCC3)c2c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2[nH+]c(C(F)(F)F)cc(N3CCCC[NH2+]CCC3)c2c1
|
Cc1ccc2[nH+]c(C(F)F)cc(N3CCCC[NH2+]CCC3)c2c1
| null |
halo
|
51a24552-7365-4acf-ac0b-d3c422a04984
|
delete
|
Modify the molecule O=C(c1csc(I)c1)N(CCO)C1CCCC1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1csc(I)c1)N(CCO)C1CCCC1
|
CCN(C(=O)c1csc(I)c1)C1CCCC1
| null |
hydroxyl
|
6c17d792-60e3-49b8-a57e-53505a417b9f
|
delete
|
Please remove a amine from the molecule c1cc(C[NH2+]C2NNNN2)c[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1cc(C[NH2+]C2NNNN2)c[nH]1.
|
c1cc(C[NH2+]C2NNN2)c[nH]1
| null |
amine
|
72c871da-af22-4446-bff1-92631cf224c4
|
delete
|
Please remove a benzene ring from the molecule Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)NC2CCCCC2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
|
CC(NC(=O)C1CC[NH+](CC(=O)N(C)C(=O)NC2CCCCC2C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1
| null |
benzene
|
1cf6d71a-1b38-4fd7-8597-01034275b34b
|
delete
|
Please remove a amide from the molecule COc1ccc(NC(=O)C(C)(C)CO)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(NC(=O)C(C)(C)CO)cc1.
|
CCC(O)c1ccc(OC)cc1
| null |
amide
|
be8764d0-6da6-40cd-a9ee-ee358a00792f
|
delete
|
Please remove a amide from the molecule Cc1csc(CCCCNC(=O)C2(O)CCCC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1csc(CCCCNC(=O)C2(O)CCCC2)n1.
|
Cc1csc(CCCCC2CCCO2)n1
| null |
amide
|
d52fe71f-33a0-45ce-a52b-34b1bc295003
|
delete
|
Modify the molecule O=CNc1cc(Cl)cc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=CNc1cc(Cl)cc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O
|
O=CNc1cccc(-c2nc(C(=O)NC3CCCCCCCCCCCCCC3)co2)c1O
| null |
halo
|
ca058ff0-7a8e-495d-8dbf-4e6c87cfc47c
|
delete
|
Modify the molecule Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O
|
Cc1ccccc1NC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccccc3)o2)C1=O
| null |
halo
|
492cf29f-623d-45ed-9739-c9ad7cd31bb6
|
delete
|
Please remove a halo from the molecule O=C1CC(=O)N(c2cc(Br)ccc2Br)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CC(=O)N(c2cc(Br)ccc2Br)C1.
|
O=C1CC(=O)N(c2ccccc2)C1
| null |
halo
|
6ef36ddc-fc72-462b-989c-bff7a7542052
|
delete
|
Please remove a benzene ring from the molecule CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1OCCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)Nc2ccc(C(F)(F)F)cc2)C1OCCC.
|
CCCCOC1C(OCC(C)C)OC(COC(=O)NCCC)C(OC(=O)NC(F)(F)F)C1OCCC
| null |
benzene
|
4df56105-3447-4582-9aad-a6a24d0eca0e
|
delete
|
Please remove a halo from the molecule Cc1c(C[NH+]2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C[NH+]2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C.
|
Cc1c(C[NH+]2CCN(c3ccccc3)CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C
| null |
halo
|
462644e9-d873-4c80-9d0e-ca98991682cc
|
delete
|
Modify the molecule CC(C(N)=O)c1cn(CCC(F)(F)F)c(=S)[nH]1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C(N)=O)c1cn(CCC(F)(F)F)c(=S)[nH]1
|
Cc1cn(CCC(F)(F)F)c(=S)[nH]1
| null |
amide
|
d037399b-2b6c-4ac9-a2ba-bb86c19b5db8
|
delete
|
Modify the molecule COC(=O)CCC[NH+](CCCNC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)CCC[NH+](CCCNC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21
|
COC(=O)CCC[NH+](CCCC(=S)Nc1cccc(Br)c1)C1CCCc2ccccc21
| null |
amine
|
11fe6b3b-aa66-437b-9575-c7c9c71118f6
|
delete
|
Modify the molecule COC(CC1CCCC1O)C(F)(F)F by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(CC1CCCC1O)C(F)(F)F
|
COC(CC1CCCC1)C(F)(F)F
| null |
hydroxyl
|
6e829f07-f716-45be-a167-a9ee06e5d1f0
|
delete
|
Please remove a benzene ring from the molecule C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)c1ccc(N2CCOCC2)cc1.
|
C(=NNc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)N1CCOCC1
| null |
benzene
|
b1505796-1ae8-433e-b79b-f12de309fad0
|
delete
|
Please remove a hydroxyl from the molecule CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1.
|
CCCCCN1C(=O)C=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc(CC)cc1
| null |
hydroxyl
|
87ab35a9-37b6-41ee-b98c-8c8bb57c7bae
|
delete
|
Modify the molecule CSCC(C)(O)CNC(=O)c1cn(CC[NH3+])cn1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCC(C)(O)CNC(=O)c1cn(CC[NH3+])cn1
|
CSCC(C)CNC(=O)c1cn(CC[NH3+])cn1
| null |
hydroxyl
|
9c84aea2-da34-4c3a-a54c-ad762528dda1
|
delete
|
Modify the molecule CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1
|
CCOC(=O)CC(=O)OCCOCCOCCOC(=O)c1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(C)cc4)c4nc(c(C)c5ccc2[nH]5)C=C4)C=C3)cc1
| null |
benzene
|
badef609-e117-4dff-9d63-f6410f0aa362
|
delete
|
Modify the molecule CC[NH+](CC)CCOc1ccc(C(N)=S)c(Cl)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CC)CCOc1ccc(C(N)=S)c(Cl)c1
|
CC[NH+](CC)CCOc1ccc(C(N)=S)cc1
| null |
halo
|
2571df45-d759-4154-b200-ac3ffe411bce
|
delete
|
Please remove a amide from the molecule CN1CC(NC(=O)NCC2CCC(C)(C)c3ccccc32)CCC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN1CC(NC(=O)NCC2CCC(C)(C)c3ccccc32)CCC1=O.
|
CC1CC1NC(=O)NCC1CCC(C)(C)c2ccccc21
| null |
amide
|
0607afe9-d63a-4872-827b-e38bca51564d
|
delete
|
Please remove a amide from the molecule CN(CC(=O)NC1(c2ccccc2)CC1)C(=O)OC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC(=O)NC1(c2ccccc2)CC1)C(=O)OC(C)(C)C.
|
CN(C(=O)OC(C)(C)C)C1(c2ccccc2)CC1
| null |
amide
|
411abaa3-3686-403f-96f3-0c1a0ccedfad
|
delete
|
Modify the molecule Cc1cc(NC(=O)c2cc(Br)ccc2O)ncc1N by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NC(=O)c2cc(Br)ccc2O)ncc1N
|
Cc1cc(NC(=O)c2cccc(Br)c2)ncc1N
| null |
hydroxyl
|
8bcca5d6-daa8-440e-b3ee-d975298296b7
|
delete
|
Please remove a nitrile from the molecule CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)C1.
|
CC1CCN(C(=O)NC2CCc3c(-c4cnc(-c5ccc(OC(C)C)cc5)s4)cccc32)C1
| null |
nitrile
|
c3ff0a17-3cf5-47cb-b997-cdd2e4ccafb0
|
delete
|
Please remove a amine from the molecule Cc1ccc(Nc2cc(C)nc(N)n2)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(Nc2cc(C)nc(N)n2)c(F)c1.
|
Cc1ccc(c2cc(C)nc(N)n2)c(F)c1
| null |
amine
|
b3a5c41b-1f04-4ad9-95e5-78e12fb915a6
|
delete
|
Modify the molecule CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1F
|
CC(CNC(=O)C1CC(=O)N(C)C1)Oc1ccccc1
| null |
halo
|
2a8a61ad-d622-4814-b334-090998fd3798
|
delete
|
Modify the molecule CC(C)(C)c1c[nH+]c(COCc2ccccc2)[nH]1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)c1c[nH+]c(COCc2ccccc2)[nH]1
|
COCc1[nH]c(C(C)(C)C)c[nH+]1
| null |
benzene
|
1dbd2466-8a56-49e7-9b40-0a3a43c5e43d
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)on2)cc1.
|
COc1ccc(-c2cc(C[NH+]3CCN([N+](=O)[O-])CC3)on2)cc1
| null |
benzene
|
1292a5b7-f43e-4f3d-a2cf-3d4e19a05d02
|
delete
|
Modify the molecule CC([NH2+]CCNC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH2+]CCNC(=O)N(C)C)c1ccc(S(N)(=O)=O)cc1
|
CC([NH2+]CCNC(=O)N(C)C)c1ccc([SH](=O)=O)cc1
| null |
amine
|
ed5b3c52-df2c-4156-af72-69c82a46f4e6
|
delete
|
Please remove a amine from the molecule Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cn3)C(CC3CCOCC3)C2)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cn3)C(CC3CCOCC3)C2)s1.
|
O=S(=O)(c1cccs1)N1CCN(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)C(CC2CCOCC2)C1
| null |
amine
|
97120a6d-96b3-4604-af92-903d7a96aa4c
|
delete
|
Modify the molecule CCOC(=O)c1nc(-c2cccc(C)c2Cl)oc1N by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1nc(-c2cccc(C)c2Cl)oc1N
|
CCOC(=O)c1coc(-c2cccc(C)c2Cl)n1
| null |
amine
|
0838b192-2d8d-4f55-87df-a7ddde10ab14
|
delete
|
Please remove a amide from the molecule CCc1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1.
|
CCc1ccc(S(=O)(=O)NCc2ccco2)cc1
| null |
amide
|
cb9daa24-73f6-468c-9f07-2e429d410e51
|
delete
|
Modify the molecule O=C(Cc1ccc(F)cc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1ccc(F)cc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
|
O=C(Cc1ccccc1)NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
| null |
halo
|
611efe9b-383b-4877-8a31-0c4abe05bbaa
|
delete
|
Please remove a hydroxyl from the molecule Cc1cccc(=O)n1Cc1ccccc1B(O)O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(=O)n1Cc1ccccc1B(O)O.
|
Cc1cccc(=O)n1Cc1ccccc1BO
| null |
hydroxyl
|
c9d3e4e9-1399-42df-8309-82566242df0a
|
delete
|
Please remove a amide from the molecule COC(=O)NC(CC[NH+]1CCC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)C2=O)CC1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)NC(CC[NH+]1CCC2(CCN(Cc3ccc(S(C)(=O)=O)cc3)C2=O)CC1)c1ccccc1.
|
COC(=O)NC(CC[NH+]1CCCCC(c2ccc(S(C)(=O)=O)cc2)CC1)c1ccccc1
| null |
amide
|
1fafee10-89b1-4642-94e0-8249d50abdd2
|
delete
|
Modify the molecule COc1cccc(CNC(=O)Cn2cnc(-c3ccccc3OC)cc2=O)c1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(CNC(=O)Cn2cnc(-c3ccccc3OC)cc2=O)c1
|
COc1cccc(Cn2cnc(-c3ccccc3OC)cc2=O)c1
| null |
amide
|
dc8de655-a350-485c-91d5-f94ec399e956
|
delete
|
Modify the molecule COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O)cc12 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O)cc12
|
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=COCl)cc12
| null |
benzene
|
758da41d-d7ae-4c5d-a223-04ef3a5a3265
|
delete
|
Modify the molecule O=C(NCC1CCCCC1c1ccccc1)NC1CCC2C[NH2+]CC2C1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC1CCCCC1c1ccccc1)NC1CCC2C[NH2+]CC2C1
|
O=C(NCC1CCCCC1)NC1CCC2C[NH2+]CC2C1
| null |
benzene
|
fbb9109e-f5b4-4fee-9a77-6b23538f87e8
|
delete
|
Please remove a hydroxyl from the molecule CCOc1ccc2scc(O)c2c1[S-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc2scc(O)c2c1[S-].
|
CCOc1ccc2sccc2c1[S-]
| null |
hydroxyl
|
ba509a29-be04-4f4d-9bc7-36f809a212fb
|
delete
|
Modify the molecule Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)cc1
|
Cc1ccc(Cl)cc1NC(=O)COC(=O)Br
| null |
benzene
|
d83f2c96-5c23-4076-b7d5-74f9743b2847
|
delete
|
Please remove a amide from the molecule CCCN(CC(=O)N(C)C)S(=O)(=O)C1CCCC1C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN(CC(=O)N(C)C)S(=O)(=O)C1CCCC1C(=O)[O-].
|
CCCN(CC)S(=O)(=O)C1CCCC1C(=O)[O-]
| null |
amide
|
fc6776de-2db4-46ac-9b1f-498f87f5eb1b
|
delete
|
Modify the molecule O=CN(O)CCNC(=O)c1ccsc1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=CN(O)CCNC(=O)c1ccsc1
|
O=CNCCNC(=O)c1ccsc1
| null |
hydroxyl
|
06223ff0-98ea-4b86-98bc-eb21e28d24e4
|
delete
|
Please remove a amine from the molecule COc1cccnc1NC(=S)NCCC[NH+]1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccnc1NC(=S)NCCC[NH+]1CCCCC1.
|
COc1cccnc1NC(=S)CCC[NH+]1CCCCC1
| null |
amine
|
388d4ed0-39a6-4b53-9327-0d0b264ce398
|
delete
|
Please remove a benzene ring from the molecule CN(C(=O)C[NH+]1CCCCC1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3ccc(N(C)S(=O)(=O)c4ccccc4)cc23)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C(=O)C[NH+]1CCCCC1)c1ccc(N=C(c2ccccc2)c2c(O)[nH]c3ccc(N(C)S(=O)(=O)c4ccccc4)cc23)cc1.
|
CN(N=C(c1ccccc1)c1c(O)[nH]c2ccc(N(C)S(=O)(=O)c3ccccc3)cc12)C(=O)C[NH+]1CCCCC1
| null |
benzene
|
f3c6adfb-f1c3-4264-a093-e593504b63de
|
delete
|
Modify the molecule Cc1cc(N(C)CCc2ccccc2)[n+](OS(=O)(=O)O)c(N)n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(N(C)CCc2ccccc2)[n+](OS(=O)(=O)O)c(N)n1
|
CCN(C)c1cc(C)nc(N)[n+]1OS(=O)(=O)O
| null |
benzene
|
e7d070c0-75ad-4dcf-b0c2-18652eb571ca
|
delete
|
Please remove a amine from the molecule COCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC[NH2+]CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CC[NH2+]CC1.
|
COCC1(C(=O)N2CCN([SH](=O)=O)CC2)CC[NH2+]CC1
| null |
amine
|
0802044f-e027-4297-9c23-56f6e506838f
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc(NC(=O)CCc2ccccc2C)c(Br)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)CCc2ccccc2C)c(Br)c1.
|
CCCC(=O)Nc1ccc(C)cc1Br
| null |
benzene
|
d1cfe466-0c23-4c22-8979-ecb13b94279c
|
delete
|
Please remove a amide from the molecule Cc1nc(C2CCCOC2)sc1C(=O)N(C)Cc1nccs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C2CCCOC2)sc1C(=O)N(C)Cc1nccs1.
|
Cc1sc(C2CCCOC2)nc1(C)Cc1nccs1
| null |
amide
|
d606de40-6024-41f1-ad92-124b97d9fe09
|
delete
|
Modify the molecule [NH3+]C(CNc1ncc(-c2ccc3cnc(F)cc3c2)s1)Cn1ccc(C(F)(F)F)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(CNc1ncc(-c2ccc3cnc(F)cc3c2)s1)Cn1ccc(C(F)(F)F)n1
|
[NH3+]C(CNc1ncc(-c2ccc3cnccc3c2)s1)Cn1ccc(C(F)(F)F)n1
| null |
halo
|
d8de8d0d-9fa5-44ab-9b6b-5d0edbb65fd2
|
delete
|
Modify the molecule O=C(Cc1cccc2ccccc12)NCC1CCCC1O by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1cccc2ccccc12)NCC1CCCC1O
|
OC1CCCC1Cc1cccc2ccccc12
| null |
amide
|
dd34ad6a-75e3-4746-abd5-47fe877bdd17
|
delete
|
Modify the molecule O=c1cc(C2CC(Nc3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1cc(C2CC(Nc3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1
|
O=c1cc(C2CC(c3ncnc4nc[nH]c34)C2)[nH]c(N2CCCC2)n1
| null |
amine
|
44ac78a3-2275-4a5f-84d4-dc2a3bd62506
|
delete
|
Modify the molecule Nc1ccc(C(=O)Cn2c(-c3nonc3NCC[NH3+])nc3ccccc32)cn1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(C(=O)Cn2c(-c3nonc3NCC[NH3+])nc3ccccc32)cn1
|
Nc1ccc(C(=O)Cn2c(-c3nonc3CC[NH3+])nc3ccccc32)cn1
| null |
amine
|
fafce5a5-b707-4452-ae8b-1f606e30601b
|
delete
|
Please remove a amide from the molecule COc1ccccc1CC(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1CC(=O)N1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1.
|
COc1ccccc1C1CCC(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)C1
| null |
amide
|
d142cab3-dc05-496c-b564-f958fade06ca
|
delete
|
Please remove a halo from the molecule Clc1ccc(SSc2c(Cl)c(Br)c(Cl)c(Br)c2Cl)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1ccc(SSc2c(Cl)c(Br)c(Cl)c(Br)c2Cl)c(Cl)c1.
|
Clc1ccc(SSc2cc(Br)c(Cl)c(Br)c2Cl)c(Cl)c1
| null |
halo
|
7a1fb40a-91b3-45cf-9f80-47e22b6097ed
|
delete
|
Modify the molecule CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)(F)c1ccccc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)(F)c1ccccc1
|
CCOC(=O)CCCCCCN1C(=O)CCC1C=CC(OC(=O)Cc1ccc(C(=O)NCCCC(O)(OP(O)O)O[P+](=O)O)cc1)C(F)c1ccccc1
| null |
halo
|
d1984758-7e63-4da9-bba2-92753648c7e7
|
delete
|
Please remove a amine from the molecule CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3OC)ncc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3OC)ncc21.
|
CCN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(-c3ccc(C(N)=O)cc3OC)ncc21
| null |
amine
|
3d919e3b-d833-46f1-86b3-a97f1ce1a494
|
delete
|
Modify the molecule COc1ccc(COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(COC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
|
COCOC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21
| null |
benzene
|
8898d86e-487f-4d29-99a5-6c924a07a103
|
delete
|
Please remove a amine from the molecule Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N3)cc1.
|
Cc1ccc(N=Nc2c3n([nH]c2=O)C(c2ccc(Cl)cc2)C2=C3CCCC2=O)cc1
| null |
amine
|
463983c9-d8fe-41b1-ba7e-cae276b5d2db
|
delete
|
Please remove a amide from the molecule O=C(CCc1cccnc1)Nc1nc2ccc3ccccc3c2s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCc1cccnc1)Nc1nc2ccc3ccccc3c2s1.
|
c1cncc(Cc2nc3ccc4ccccc4c3s2)c1
| null |
amide
|
b6b4a25c-b46c-4820-baa6-d5965cd0c725
|
delete
|
Please remove a amide from the molecule Cc1cc(C(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
|
Cc1cc(C(C)C)c(-c1F)NS(=O)(=O)c1ccccc1
| null |
amide
|
d3b5ffba-5cdf-4eb9-8822-121772279dbb
|
delete
|
Modify the molecule Cc1cccc(C)c1-c1ccc(OC(C)C(=O)[O-])cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C)c1-c1ccc(OC(C)C(=O)[O-])cc1
|
Cc1cccc(C)c1OC(C)C(=O)[O-]
| null |
benzene
|
da496925-4350-4ba2-b5bb-b258e4b73352
|
delete
|
Modify the molecule COc1ccc(O)c2ccc(=O)[nH]c12 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(O)c2ccc(=O)[nH]c12
|
COc1cccc2ccc(=O)[nH]c12
| null |
hydroxyl
|
b9938c9b-5221-4ef8-934c-1354aaca538e
|
delete
|
Please remove a hydroxyl from the molecule CC1(C)CCC[NH+](C2CC(C)(C)Oc3cc(O)ccc32)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCC[NH+](C2CC(C)(C)Oc3cc(O)ccc32)C1.
|
CC1(C)CCC[NH+](C2CC(C)(C)Oc3ccccc32)C1
| null |
hydroxyl
|
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