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 |
|---|---|---|---|---|---|---|
131391f0-48e1-4e5e-8689-10a08b5c9015
|
delete
|
Modify the molecule CC(NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1
|
CC(c1ccccc1)n1cc(C(=O)[O-])ccc1
| null |
amide
|
f5e5db6d-492c-49f7-b61e-9d27f3102fdb
|
delete
|
Modify the molecule C#CCSCC[NH2+]C(C)C(=O)NC(CC)CC by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCSCC[NH2+]C(C)C(=O)NC(CC)CC
|
C#CCSCC[NH2+]C(C)(CC)CC
| null |
amide
|
a4791509-ae7e-42c1-9895-6404f00f6fc2
|
delete
|
Please remove a hydroxyl from the molecule O=C(NC1c2ccccc2CC1O)C(Cc1ccccc1)CC(O)CC1=Cc2ccccc2S1(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1c2ccccc2CC1O)C(Cc1ccccc1)CC(O)CC1=Cc2ccccc2S1(=O)=O.
|
O=C(NC1c2ccccc2CC1O)C(CCCC1=Cc2ccccc2S1(=O)=O)Cc1ccccc1
| null |
hydroxyl
|
c25f38b2-f282-472e-b79c-f1eb0403e937
|
delete
|
Please remove a benzene ring from the molecule CCCCCCNC(=O)c1ccc(C[NH+]2CC(O)C(O)C(O)C2CO)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCNC(=O)c1ccc(C[NH+]2CC(O)C(O)C(O)C2CO)cc1.
|
CCCCCCNC(=O)C[NH+]1CC(O)C(O)C(O)C1CO
| null |
benzene
|
4e9d9a7d-06d1-4ca6-8b6d-fd2ac5093e09
|
delete
|
Modify the molecule COCCNc1ccc2[nH+]cc(-c3cncc(OC)c3)n2n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCNc1ccc2[nH+]cc(-c3cncc(OC)c3)n2n1
|
COCCc1ccc2[nH+]cc(-c3cncc(OC)c3)n2n1
| null |
amine
|
93dafd0f-e696-4d37-b53d-fd78f1893c0d
|
delete
|
Modify the molecule COC(=O)C(Nc1ccccc1)(c1ccccc1)C1(O)C(=O)N(C)c2ccc([N+](=O)[O-])cc21 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(Nc1ccccc1)(c1ccccc1)C1(O)C(=O)N(C)c2ccc([N+](=O)[O-])cc21
|
COC(=O)C(Nc1ccccc1)(c1ccccc1)C1C(=O)N(C)c2ccc([N+](=O)[O-])cc21
| null |
hydroxyl
|
3ffe439f-99b0-4cc7-9668-d5b4d74bf817
|
delete
|
Modify the molecule COc1ccccc1CC(=O)OCC(=O)Nc1cccc(C(C)C)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1CC(=O)OCC(=O)Nc1cccc(C(C)C)c1
|
COc1ccccc1CC(=O)OCC(=O)NC(C)C
| null |
benzene
|
3896faca-4159-42f2-a0d2-75a07f724e7e
|
delete
|
Modify the molecule CC(=O)c1ccc2noc(-c3ccc(N4CCCCC4)cc3)c2c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1ccc2noc(-c3ccc(N4CCCCC4)cc3)c2c1
|
CC(=O)c1ccc2noc(N3CCCCC3)c2c1
| null |
benzene
|
bec67936-7406-4d91-9497-ac8b7ee91658
|
delete
|
Modify the molecule Nc1ccccc1CC(=O)NCc1cc[nH]c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccccc1CC(=O)NCc1cc[nH]c1
|
O=C(Cc1ccccc1)NCc1cc[nH]c1
| null |
amine
|
0bc7f276-dcbf-411c-8687-0f2470180c99
|
delete
|
Modify the molecule C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C
|
C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cccc(C)c1C
| null |
halo
|
f64c9eb5-052b-45ce-81b3-328a5ac36994
|
delete
|
Modify the molecule O=C(Oc1ccc(-c2cc(=S)ss2)cc1)c1ccc(OCCCCO[N+](=O)[O-])cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Oc1ccc(-c2cc(=S)ss2)cc1)c1ccc(OCCCCO[N+](=O)[O-])cc1
|
O=C(OCCCCO[N+](=O)[O-])Oc1ccc(-c2cc(=S)ss2)cc1
| null |
benzene
|
b326d563-f010-444a-88c1-54e3ddd8b837
|
delete
|
Modify the molecule CCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(Br)cc2)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(Br)cc2)cc1
|
CCOc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccccc2)cc1
| null |
halo
|
a19ed508-25f4-4e93-89ce-5bdb5eee42c6
|
delete
|
Modify the molecule C=CCN(CCOC)C(=O)CC1COCC[NH2+]1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCN(CCOC)C(=O)CC1COCC[NH2+]1
|
C=CCC1(CCOC)COCC[NH2+]1
| null |
amide
|
7fe6e0e6-70c4-484f-9d9d-5005caaceb03
|
delete
|
Modify the molecule Cc1ccc(NC(=O)NCC(=O)Nc2ccccc2)cc1Br by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)NCC(=O)Nc2ccccc2)cc1Br
|
Cc1ccc(NC(=O)Nc2ccccc2)cc1Br
| null |
amide
|
447a3111-2ac8-413e-94d2-cc03a1ccec16
|
delete
|
Modify the molecule O=C(OCc1cc(Cl)ccc1F)N1C=Cc2ncsc2C1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(OCc1cc(Cl)ccc1F)N1C=Cc2ncsc2C1
|
O=C(OC(F)Cl)N1C=Cc2ncsc2C1
| null |
benzene
|
221edfcf-da5f-4245-8c80-95cd27a31cc6
|
delete
|
Modify the molecule Cc1ccc2c(C(=O)NCC[NH+]3CCN(C)CC3)nsc2c1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2c(C(=O)NCC[NH+]3CCN(C)CC3)nsc2c1
|
Cc1ccc2c(c1)sn-2CC[NH+]1CCN(C)CC1
| null |
amide
|
cb50fa5c-0953-4598-8bed-c7c48d7c8cfc
|
delete
|
Modify the molecule CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C(C(=O)C(C)C(O)CC)C(=O)CO1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C(C(=O)C(C)C(O)CC)C(=O)CO1
|
CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C(C(=O)C(C)CCC)C(=O)CO1
| null |
hydroxyl
|
dc7f693c-cc3f-4e29-8cc4-ccb93d141253
|
delete
|
Please remove a hydroxyl from the molecule O=C(CCCCCC(NC(=O)NCCCc1ccccc1)C(=O)Nc1ccccc1)NO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCCCCC(NC(=O)NCCCc1ccccc1)C(=O)Nc1ccccc1)NO.
|
NC(=O)CCCCCC(NC(=O)NCCCc1ccccc1)C(=O)Nc1ccccc1
| null |
hydroxyl
|
e84ff32e-b005-4cfe-a152-2618e124e572
|
delete
|
Please remove a halo from the molecule COC(=O)c1nc(Br)c2c(cc(-c3ccccc3)c(=O)n2C(C)c2ccccc2)c1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1nc(Br)c2c(cc(-c3ccccc3)c(=O)n2C(C)c2ccccc2)c1O.
|
COC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2C(C)c2ccccc2)c1O
| null |
halo
|
1394a187-8b3b-4f19-b1de-544c8a5c2289
|
delete
|
Please remove a halo from the molecule O=C([O-])C(CF)NC(=O)C1CC1c1ccc2ccccc2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C(CF)NC(=O)C1CC1c1ccc2ccccc2c1.
|
CC(NC(=O)C1CC1c1ccc2ccccc2c1)C(=O)[O-]
| null |
halo
|
b8e35ddc-c9bb-47f0-bad7-ce37d93e6f5f
|
delete
|
Please remove a benzene ring from the molecule CC(C)c1ccc(C[NH2+]C(C)C2(C)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)c1ccc(C[NH2+]C(C)C2(C)CC2)cc1.
|
CC(C)C[NH2+]C(C)C1(C)CC1
| null |
benzene
|
0cabda2c-ad7b-43ca-bf2b-7c60cbf8a7b4
|
delete
|
Please remove a amide from the molecule COc1ccc(Oc2ccc(NC(=O)CNC(=O)C([NH3+])C(C)C)cn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Oc2ccc(NC(=O)CNC(=O)C([NH3+])C(C)C)cn2)cc1.
|
COc1ccc(Oc2ccc(NC(=O)CC(C)(C)[NH3+])cn2)cc1
| null |
amide
|
41d01b81-441c-4373-a647-2cf8927ae756
|
delete
|
Please remove a amide from the molecule Cc1ccccc1NC(=O)CCSCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1NC(=O)CCSCc1ccccc1.
|
Cc1ccccc1CSCc1ccccc1
| null |
amide
|
b32af9ae-71bb-4227-806a-819ffd4fb250
|
delete
|
Modify the molecule COc1ccc(Cn2cc(CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cn2cc(CSC(=S)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1
|
COCn1cc(CSC(=S)N2CCN(C(=O)OC(C)(C)C)CC2)nn1
| null |
benzene
|
031ad4a0-e0f5-446a-ba6f-91cf1a28b44b
|
delete
|
Please remove a halo from the molecule CC1=CCC2=C(O1)SCC1c3cc(Cl)cc(Cl)c3OCC21Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=CCC2=C(O1)SCC1c3cc(Cl)cc(Cl)c3OCC21Br.
|
CC1=CCC2=C(O1)SCC1c3ccccc3OCC21
| null |
halo
|
4baeee8b-1ed0-45a6-86bb-e4c1ed0bfd54
|
delete
|
Please remove a halo from the molecule N#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F.
|
N#Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1F
| null |
halo
|
dd4e6703-b6ac-4da9-b82c-4dff839aaf27
|
delete
|
Modify the molecule Cc1ccc(S(=O)(=O)CC(=O)N=Cn2c(=O)[nH]c3ccccc32)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)CC(=O)N=Cn2c(=O)[nH]c3ccccc32)cc1
|
CS(=O)(=O)CC(=O)N=Cn1c(=O)[nH]c2ccccc21
| null |
benzene
|
e6383770-ba74-4df4-95b7-c8e1c203f95a
|
delete
|
Please remove a benzene ring from the molecule CCC[NH2+]C(c1cccc(OC)c1F)C1CCCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(c1cccc(OC)c1F)C1CCCCCC1.
|
CCC[NH2+]C(F)(OC)C1CCCCCC1
| null |
benzene
|
dd0e81f2-ca6c-4233-8291-c0fe864bb46f
|
delete
|
Modify the molecule Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCNc1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCNc1ccccc1
|
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCN
| null |
benzene
|
c6b9c7ab-13e8-4dd7-a6fa-802b5a84ec2a
|
delete
|
Modify the molecule Cc1cc(N2CC(C)Cc3ccccc32)ccc1CBr by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(N2CC(C)Cc3ccccc32)ccc1CBr
|
Cc1ccc(N2CC(C)Cc3ccccc32)cc1C
| null |
halo
|
28e6f22f-1672-4663-92ab-8383fd4bf2ea
|
delete
|
Modify the molecule CC(CO)C(C)Nc1ccc(S(C)(=O)=O)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CO)C(C)Nc1ccc(S(C)(=O)=O)cc1
|
CC(CO)C(C)NS(C)(=O)=O
| null |
benzene
|
07b38ebb-6325-4e86-aa4e-c2487817be68
|
delete
|
Modify the molecule CCSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1
|
CCSC(=O)NCCOc1ccc(C(C)(C)C)cc1
| null |
benzene
|
e17f6201-40f1-4702-9062-d928e2c439ad
|
delete
|
Please remove a hydroxyl from the molecule COCC(C)OCC(O)C[NH+]1CCSCC1C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(C)OCC(O)C[NH+]1CCSCC1C(=O)[O-].
|
COCC(C)OCCC[NH+]1CCSCC1C(=O)[O-]
| null |
hydroxyl
|
1d3425eb-0ab7-4d91-8ff7-d4abc69f0183
|
delete
|
Modify the molecule CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCC(C)C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCCC(C)C
|
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCC(C)C
| null |
halo
|
c6ac774d-4d38-4a70-8077-009f7a7fa327
|
delete
|
Please remove a hydroxyl from the molecule Cn1cncc1CSCCCO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cncc1CSCCCO.
|
CCCSCc1cncn1C
| null |
hydroxyl
|
1cd12908-0b04-48b4-acb0-bfca4df91442
|
delete
|
Please remove a halo from the molecule CC(NC(=O)C1C[NH2+]CC1c1ccccc1Cl)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)C1C[NH2+]CC1c1ccccc1Cl)c1ccccc1.
|
CC(NC(=O)C1C[NH2+]CC1c1ccccc1)c1ccccc1
| null |
halo
|
21f40456-ab16-49a9-b053-ec211118f868
|
delete
|
Please remove a halo from the molecule CC(C)C(C)Nc1ccc(Br)nc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(C)Nc1ccc(Br)nc1.
|
CC(C)C(C)Nc1cccnc1
| null |
halo
|
e51dc582-5db9-4a82-b42c-d2546ee0a24b
|
delete
|
Modify the molecule Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1
|
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2(Cc3ccc(F)cc3)cccc-2)CC1
| null |
amide
|
1bc98728-edd6-4096-b6a4-e497139d6545
|
delete
|
Modify the molecule Cc1cc(CN2CC[NH+](CC(=O)NCCCN(C)c3ccccc3)CC2)no1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(CN2CC[NH+](CC(=O)NCCCN(C)c3ccccc3)CC2)no1
|
Cc1cc(CN2CC[NH+](CCCN(C)c3ccccc3)CC2)no1
| null |
amide
|
641288d1-b2a3-4fc5-9cf1-99bc9e26ff7e
|
delete
|
Modify the molecule CCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1ccc(F)c(F)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1ccc(F)c(F)c1
|
CCc1ccccc1Nc1nc(=O)c(OC)cn1Cc1ccccc1
| null |
halo
|
c0450804-ed11-4ebb-a8fb-1e17b545de99
|
delete
|
Modify the molecule CSCCC(NC(=O)C([NH3+])CC(C)C)C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)[O-])C(C)C by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(NC(=O)C([NH3+])CC(C)C)C(=O)NC(C(=O)NC(CCCC[NH3+])C(=O)[O-])C(C)C
|
CSCC(NC(=O)C([NH3+])CC(C)C)C(C(=O)NC(CCCC[NH3+])C(=O)[O-])C(C)C
| null |
amide
|
0fa188e4-883b-4ebd-80a4-3f62fb3f8af4
|
delete
|
Modify the molecule COc1cc(Cl)cc(C(C#N)CN)c1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(Cl)cc(C(C#N)CN)c1
|
COc1cc(Cl)cc(CCN)c1
| null |
nitrile
|
71b38056-6682-44f7-a914-7236a6dd809f
|
delete
|
Please remove a benzene ring from the molecule OCc1nnn(-c2ccc(Cl)cc2)c1C1CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OCc1nnn(-c2ccc(Cl)cc2)c1C1CCC1.
|
OCc1nnn(Cl)c1C1CCC1
| null |
benzene
|
e3ff887c-741a-48f5-a3dc-fdb4ad552219
|
delete
|
Modify the molecule C=CCc1cc(C=C2SC(Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC(=O)OCC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCc1cc(C=C2SC(Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC(=O)OCC
|
C=CCc1cc(C=C2SC(c3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC(=O)OCC
| null |
amine
|
38e6e53f-2e60-4811-9026-df2be6d14791
|
delete
|
Please remove a nitrile from the molecule COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Nc3ccc(C#N)nc3F)cc3c2ncn3C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Nc3ccc(C#N)nc3F)cc3c2ncn3C)cc1.
|
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Nc3cccnc3F)cc3c2ncn3C)cc1
| null |
nitrile
|
ef01f3d8-d742-4df1-8915-2901732c1e53
|
delete
|
Please remove a benzene ring from the molecule O=c1onc(-c2ccccc2)n1Cc1nc2ccccc2o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1onc(-c2ccccc2)n1Cc1nc2ccccc2o1.
|
O=c1oncn1Cc1nc2ccccc2o1
| null |
benzene
|
dda66cea-fcbb-4c6e-bf8f-ea95d0148948
|
delete
|
Please remove a benzene ring from the molecule CC(=O)c1cccc(C(=O)Oc2nc(OC(=O)c3ccccc3)ccc2Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1cccc(C(=O)Oc2nc(OC(=O)c3ccccc3)ccc2Cl)c1.
|
CC(=O)c1cccc(C(=O)Oc2nc(OC=O)ccc2Cl)c1
| null |
benzene
|
4f8c4b1a-1325-4c7c-bf94-e61991a7140d
|
delete
|
Please remove a amine from the molecule O=C([O-])CC(c1ccc(-c2ccccc2)cc1)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CC(c1ccc(-c2ccccc2)cc1)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21.
|
O=C([O-])CC(c1ccc(-c2ccccc2)cc1)n1cnc2cc(S(=O)(=O)c3ccccc3)ccc21
| null |
amine
|
4e08f052-550f-44fc-86e7-facaef313d81
|
delete
|
Please remove a benzene ring from the molecule CCc1nc(-c2cccc(CCS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Cc3ccc(N4CCOCC4)c(F)c3)n2)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(-c2cccc(CCS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Cc3ccc(N4CCOCC4)c(F)c3)n2)s1.
|
CCc1nc(-c2cccc(CC[SH](=O)=O)c2)c(-c2ccnc(Cc3ccc(N4CCOCC4)c(F)c3)n2)s1
| null |
benzene
|
661bf646-0431-4333-8858-147879697f05
|
delete
|
Please remove a amide from the molecule CCC(CC)C(=O)N1CCCN(C(=O)Cc2ccc3nc(C)[nH]c3c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC)C(=O)N1CCCN(C(=O)Cc2ccc3nc(C)[nH]c3c2)CC1.
|
CCC(CC)C(=O)N1CCC(c2ccc3nc(C)[nH]c3c2)CC1
| null |
amide
|
e91c705d-9af6-47d4-a9a6-63e525a90d65
|
delete
|
Modify the molecule CC(c1ccc(C#CC(C)(C)C(=O)N(C)C)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(c1ccc(C#CC(C)(C)C(=O)N(C)C)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O
|
CC(c1ccc(C#CC(C)(C)C(=O)N(C)C)cc1)N1CCC(CC(C)(C))(c2ccccc2)OC1=O
| null |
hydroxyl
|
28f65edd-147a-4b9c-8f63-342412ad36bf
|
delete
|
Modify the molecule Cc1ccc(OCc2c(C)nn(C)c2NN)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(OCc2c(C)nn(C)c2NN)cc1
|
COCc1c(C)nn(C)c1NN
| null |
benzene
|
9453236b-85cf-45bb-91c4-5e2c9c767268
|
delete
|
Please remove a benzene ring from the molecule CCC(=O)c1cccc(S(=O)(=O)NC(C(N)=O)C(C)C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)c1cccc(S(=O)(=O)NC(C(N)=O)C(C)C)c1.
|
CCC(=O)S(=O)(=O)NC(C(N)=O)C(C)C
| null |
benzene
|
f98e0a1d-9359-41e4-89b5-90d4c820607a
|
delete
|
Modify the molecule CC1(C)CN(c2cncc(C(=O)[O-])n2)CC1(C)O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CN(c2cncc(C(=O)[O-])n2)CC1(C)O
|
CC1CN(c2cncc(C(=O)[O-])n2)CC1(C)C
| null |
hydroxyl
|
bf1151e0-2911-46b8-a5cc-898c5693ca1f
|
delete
|
Modify the molecule CCSc1nnc(NC(=O)CSC(c2ccccc2)c2ccccc2)s1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCSc1nnc(NC(=O)CSC(c2ccccc2)c2ccccc2)s1
|
CCSc1nnc(NC(=O)CSCc2ccccc2)s1
| null |
benzene
|
03d4f041-4b61-4672-9792-cf086ade9bcf
|
delete
|
Modify the molecule CC1(C)CC(NC(=O)c2cc(F)ccc2N)CCO1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CC(NC(=O)c2cc(F)ccc2N)CCO1
|
CC1(C)CC(NC(=O)c2cccc(F)c2)CCO1
| null |
amine
|
126b2a64-8a77-4ed3-83b9-1ef52644ee3e
|
delete
|
Modify the molecule Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)C(C)C)CC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)C(C)C)CC1
|
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)C(C)C)CC1
| null |
halo
|
03d7639e-1594-4baa-8c9c-b35eddfdc9b3
|
delete
|
Modify the molecule C=CCOC(=O)C(=[N+]=[N-])C(=O)C(C)C1NC(=O)C1C(C)O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCOC(=O)C(=[N+]=[N-])C(=O)C(C)C1NC(=O)C1C(C)O
|
C=CCOC(=O)C(=[N+]=[N-])C(=O)C(C)C1NC(=O)C1CC
| null |
hydroxyl
|
5c698eb7-24ad-4572-8dc6-9adc01b21b9f
|
delete
|
Please remove a amide from the molecule CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O.
|
CCCn1ncn2nc(-c3cccs3)cc2c1=O
| null |
amide
|
7c077930-7fe3-47ba-8d22-6ab944a9a548
|
delete
|
Modify the molecule Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)CCNC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)N3CCCC(C)C3)c2C)CC1
|
Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NCCC(=O)N(C)C(=O)N3CCCC(C)C3)CC2)cccc1C(=O)N1CCCC(C)C1
| null |
benzene
|
303fcc25-48f7-447f-b2da-7cae25d27efa
|
delete
|
Modify the molecule Clc1ccc(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1ccc(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1
|
c1ccc(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1
| null |
halo
|
84853711-3cc5-4622-b8bb-bb11f865c12d
|
delete
|
Please remove a nitrile from the molecule CCC(C#N)N(CCC(=O)OC)CC1CCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C#N)N(CCC(=O)OC)CC1CCCO1.
|
CCCN(CCC(=O)OC)CC1CCCO1
| null |
nitrile
|
84b51e9e-4026-414b-8c7b-dc7914af70c6
|
delete
|
Modify the molecule COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1cccc(C(=O)c3ccccc3)c1)c1nnc(C)n1-2 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NC(CC(=O)Nc1cccc(C(=O)c3ccccc3)c1)c1nnc(C)n1-2
|
COc1ccc2c(c1)C(c1ccccc1)=NC(CC(=O)Nc1cccc(C(=O)c3ccccc3)c1)c1nnc(C)n1-2
| null |
halo
|
50f8f478-75cf-407e-a980-184739ed34a2
|
delete
|
Please remove a amide from the molecule CC(C)N1CCn2c(C[NH+](Cc3ccccc3)Cc3ccccc3)cc(=O)c([O-])c2C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)N1CCn2c(C[NH+](Cc3ccccc3)Cc3ccccc3)cc(=O)c([O-])c2C1=O.
|
CC(C)c1([O-])c(=O)cc(C[NH+](Cc2ccccc2)Cc2ccccc2)n2CC21
| null |
amide
|
34e4590e-c19b-4d9d-9895-79fb12aeec08
|
delete
|
Please remove a halo from the molecule COC(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)C(C)C2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)C(C)C2)cc1.
|
COC(=O)c1ccc(N2CC[NH+](CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)C(C)C2)cc1
| null |
halo
|
550a1038-90f2-448e-9fb3-13d1c1a9f6b7
|
delete
|
Modify the molecule c1ccc(N(c2ccccc2)c2ccc(C(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(N(c2ccccc2)c2ccc(C(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
|
c1ccc(N(c2ccccc2)c2ccc(C(c3ccc(-c4cccc(-c5ccccn5)n4)cc3)(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc(-c4ccccn4)n3)cc2)cc1
| null |
benzene
|
ddfe0693-3b12-455b-8f5d-13bf1a63d686
|
delete
|
Please remove a halo from the molecule CC1CN(C(N)=[NH2+])CCN1c1ccc2[nH+]c(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CN(C(N)=[NH2+])CCN1c1ccc2[nH+]c(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.
|
CC1CN(C(N)=[NH2+])CCN1c1ccc2[nH+]c(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)cn2n1
| null |
halo
|
309902a1-d31b-4251-9bd2-04cb9f0d2147
|
delete
|
Please remove a amide from the molecule Nc1c2c([nH+]c3cc(Cl)ccc13)CC1C=C(CCCCn3cc(CNC(=O)CCC(C(=O)NCCP(=O)([O-])[O-])[NH+]4CCC[NH+](CC(=O)NCCP(=O)([O-])[O-])CCN(C(=O)NCCP(=O)([O-])[O-])CCCN(CC(=O)NCCP(=O)([O-])[O-])CC4)nn3)CC2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1c2c([nH+]c3cc(Cl)ccc13)CC1C=C(CCCCn3cc(CNC(=O)CCC(C(=O)NCCP(=O)([O-])[O-])[NH+]4CCC[NH+](CC(=O)NCCP(=O)([O-])[O-])CCN(C(=O)NCCP(=O)([O-])[O-])CCCN(CC(=O)NCCP(=O)([O-])[O-])CC4)nn3)CC2C1.
|
Nc1c2c([nH+]c3cc(Cl)ccc13)CC1C=C(CCCCn3cc(CNC(=O)CC(CCP(=O)([O-])[O-])[NH+]4CCC[NH+](CC(=O)NCCP(=O)([O-])[O-])CCN(C(=O)NCCP(=O)([O-])[O-])CCCN(CC(=O)NCCP(=O)([O-])[O-])CC4)nn3)CC2C1
| null |
amide
|
8afa94b1-d125-497a-83dc-90992f35b108
|
delete
|
Modify the molecule COc1ccc(Cl)cc1NC(=O)C(C)Sc1nc2ccccc2s1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cl)cc1NC(=O)C(C)Sc1nc2ccccc2s1
|
COc1ccc(Cl)cc1CSc1nc2ccccc2s1
| null |
amide
|
ee888353-e1a8-4a67-bc22-1f049c230ce5
|
delete
|
Modify the molecule Cc1ccc(NC(=O)CCCCC[NH3+])cc1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)CCCCC[NH3+])cc1F
|
Cc1ccc(NC(=O)CCCCC[NH3+])cc1
| null |
halo
|
b09fd037-80e2-4683-b48b-4ee1900421e4
|
delete
|
Please remove a amide from the molecule CCC(=O)Nc1cccc(C2CC[NH+](CCCC(=O)c3ccc(C)cc3)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)Nc1cccc(C2CC[NH+](CCCC(=O)c3ccc(C)cc3)CC2)c1.
|
Cc1ccc(C(=O)CCC[NH+]2CCC(c3cccc(C)c3)CC2)cc1
| null |
amide
|
5104cb9a-82b7-4375-a17a-dd01598a9c91
|
delete
|
Please remove a amine from the molecule COc1ccc(C(N)=O)cc1NC1CCOC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(N)=O)cc1NC1CCOC1.
|
COc1ccc(C(N)=O)cc1C1CCOC1
| null |
amine
|
854e1d69-605a-453b-88dd-84bdde99de7a
|
delete
|
Modify the molecule O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1nc2c(s1)CCC2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1nc2c(s1)CCC2
|
C1Cc2nc([NH+]3CCC4(CC3)OCCO4)sc2C1
| null |
amide
|
57fb2492-d039-4c78-b615-e04b03330c3f
|
delete
|
Please remove a amine from the molecule CN=CC1=C([NH3+])CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN=CC1=C([NH3+])CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)C1.
|
CN=CC1=C([NH3+])CCN(c2nccc(-c3cc4c(cn3)nc(C)n4C(C)C)n2)C1
| null |
amine
|
b0873e75-5087-4296-b48e-a0b11214a895
|
delete
|
Modify the molecule Cc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1
|
Cc1ccccc1C(=O)Nc1cccc(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)NC(C)C)c3C)CC2)c1
| null |
halo
|
e12eb5c3-3983-4e27-a958-041b8b02efb1
|
delete
|
Modify the molecule CCOc1ccc(NC(=O)CCCN2C(=S)NC(C)(C)CC2C)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(NC(=O)CCCN2C(=S)NC(C)(C)CC2C)cc1
|
CCOc1ccc(NC(=O)CCCN2C(=S)C(C)(C)CC2C)cc1
| null |
amine
|
57e6da3c-ff62-4b3c-a79d-7f16cd58a0b7
|
delete
|
Modify the molecule CCc1cccc(OCC(=O)NC2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cccc(OCC(=O)NC2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1
|
CCc1cccc(OC2CCN(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1
| null |
amide
|
f0bc73bb-36ec-41fd-a0f4-9cb701f46ed8
|
delete
|
Please remove a benzene ring from the molecule Cc1cccc(CNC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(CNC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)c1.
|
CCNC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21
| null |
benzene
|
c8952fcc-db2e-46e3-b767-030a19fc460e
|
delete
|
Please remove a benzene ring from the molecule CCOC(=O)c1c(N(C)CC(=O)c2ccccc2Cc2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1c(N(C)CC(=O)c2ccccc2Cc2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C.
|
CCOC(=O)c1c(N(C)CC(=O)Cc2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C
| null |
benzene
|
26b95239-6b70-4e48-a714-653de9c4a0f9
|
delete
|
Please remove a amide from the molecule Cc1c(CN2C(=O)CC(C)C(C(=O)[O-])C2C)cnn1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(CN2C(=O)CC(C)C(C(=O)[O-])C2C)cnn1C.
|
Cc1c(C2C(C)C(C(=O)[O-])C2C)cnn1C
| null |
amide
|
307bb7a0-c5b1-4f30-abc1-1adf072f2f47
|
delete
|
Modify the molecule O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1
|
O=S(=O)(C12CC3CC(CC(C3)C1)C2)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1
| null |
amine
|
a4647665-a4ab-4db6-ad22-e9e081d157b2
|
delete
|
Please remove a benzene ring from the molecule CCC(C)(C)CC(=CC(CC(=O)[O-])C(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(CC(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)(C)CC(=CC(CC(=O)[O-])C(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(CC(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(=O)[O-].
|
CCC(C)(C)CC(=CC(CC(=O)[O-])C(=O)NC[Si](OC)(OC)OC)C(CC(=O)N(C[Si](OC)(OC)OC)c1ccccc1)C(=O)[O-]
| null |
benzene
|
098557b7-1899-4680-9304-1987ab25f677
|
delete
|
Please remove a halo from the molecule COc1ccccc1C1C[NH2+]CCN1Cc1cc(Br)c(OC)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C1C[NH2+]CCN1Cc1cc(Br)c(OC)s1.
|
COc1ccc(CN2CC[NH2+]CC2c2ccccc2OC)s1
| null |
halo
|
3d8f6f47-085d-4b59-a642-545d90a1fcf9
|
delete
|
Modify the molecule COC(=O)CC1([NH2+]Cc2ccccc2)CCC(C(C)(C)C)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)CC1([NH2+]Cc2ccccc2)CCC(C(C)(C)C)CC1
|
C[NH2+]C1(CC(=O)OC)CCC(C(C)(C)C)CC1
| null |
benzene
|
58212ebe-fd43-4cf2-8d06-3f84a6473b5a
|
delete
|
Please remove a amide from the molecule O=C1CC(=O)NC(C(=O)[O-])N1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CC(=O)NC(C(=O)[O-])N1.
|
O=C([O-])C1NC1=O
| null |
amide
|
afd76af1-d5a7-4150-9f02-9b07f636433b
|
delete
|
Modify the molecule Cc1cccc2c(=O)nc(C(Cl)=Cc3cccc(Cl)c3)[nH]c12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc2c(=O)nc(C(Cl)=Cc3cccc(Cl)c3)[nH]c12
|
Cc1cccc2c(=O)nc(C(Cl)=Cc3ccccc3)[nH]c12
| null |
halo
|
0f0f03c5-06a3-4888-b1bb-e88fd88db8ec
|
delete
|
Modify the molecule CCc1cc(O)cc(C2(C[NH3+])CCCC2)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cc(O)cc(C2(C[NH3+])CCCC2)c1
|
CC(O)C1(C[NH3+])CCCC1
| null |
benzene
|
c2bf610d-2e31-412b-81f8-5287585c9556
|
delete
|
Modify the molecule COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cccc(SC)c4)nc3s2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cccc(SC)c4)nc3s2)cc1
|
COc1nn2c(=O)cc(CNC(=O)Nc3cccc(SC)c3)nc2s1
| null |
benzene
|
90dd9d04-0ec7-4cf6-919d-d9d44117095d
|
delete
|
Modify the molecule CCCCCCNc1ccc(OC2CCCC2)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCNc1ccc(OC2CCCC2)cc1
|
CCCCCCc1ccc(OC2CCCC2)cc1
| null |
amine
|
857082bb-8bc2-48ff-b108-3b8efa1f309e
|
delete
|
Modify the molecule COc1ccc(C)cc1NC(=O)C(C)OC(=O)COc1ccc(Cl)cc1Br by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C)cc1NC(=O)C(C)OC(=O)COc1ccc(Cl)cc1Br
|
COc1ccc(C)cc1COC(=O)COc1ccc(Cl)cc1Br
| null |
amide
|
7177bdfa-0fac-4426-a863-a43bf537d3a2
|
delete
|
Modify the molecule Cc1scc(C[NH2+]C2CCNC2)c1C by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1scc(C[NH2+]C2CCNC2)c1C
|
Cc1scc(C[NH2+]C2CCC2)c1C
| null |
amine
|
5b902452-862d-4cc5-854e-43aa9d2c591f
|
delete
|
Please remove a amide from the molecule CNC(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2.
|
COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2
| null |
amide
|
b8223680-8bde-4b06-a612-b7d757d22954
|
delete
|
Modify the molecule CCc1nc(N)nc(C2(c3ccccc3)CC2)n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(N)nc(C2(c3ccccc3)CC2)n1
|
CCc1nc(N)nc(C2CC2)n1
| null |
benzene
|
7eb6f092-0bf6-4fe1-b0a8-700c6c1edfc8
|
delete
|
Modify the molecule O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
|
O=C(COC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
| null |
benzene
|
3321b055-acfd-4f27-9997-854ce2242626
|
delete
|
Please remove a halo from the molecule CCc1cccc2c(I)c(SC)sc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cccc2c(I)c(SC)sc12.
|
CCc1cccc2cc(SC)sc12
| null |
halo
|
ec19ed75-c330-403e-8bf7-98ae763a8857
|
delete
|
Please remove a benzene ring from the molecule c1ccc(C[NH+]2CCC(Nc3ccccc3)C2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(C[NH+]2CCC(Nc3ccccc3)C2)cc1.
|
NC1CC[NH+](Cc2ccccc2)C1
| null |
benzene
|
8d9b4d84-0a99-4875-945a-7968c876982d
|
delete
|
Modify the molecule CCCCCCNC(=O)C1CCC[NH+](Cc2nc(-c3ccc(C)c(F)c3)no2)C1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCNC(=O)C1CCC[NH+](Cc2nc(-c3ccc(C)c(F)c3)no2)C1
|
CCCCCCNC(=O)C1CCC[NH+](Cc2nc(-c3ccc(C)cc3)no2)C1
| null |
halo
|
e7452066-5e8f-43ce-a98b-d52beb67f52c
|
delete
|
Please remove a hydroxyl from the molecule Cc1cc(Cl)c(C(O)c2cccc(C)c2C)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Cl)c(C(O)c2cccc(C)c2C)cc1C.
|
Cc1cc(Cl)c(Cc2cccc(C)c2C)cc1C
| null |
hydroxyl
|
01c501fe-2236-4098-a4f6-4cba6d146887
|
delete
|
Please remove a amine from the molecule CCN(Cc1ccccc1OC)c1ccc(N)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1ccccc1OC)c1ccc(N)cc1.
|
CCN(Cc1ccccc1OC)c1ccccc1
| null |
amine
|
143599a2-9f6c-44ce-9e52-641980684869
|
delete
|
Please remove a halo from the molecule C[NH+](C)CC1(CO)CCN(c2ncnc3cc(F)ccc23)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CC1(CO)CCN(c2ncnc3cc(F)ccc23)CC1.
|
C[NH+](C)CC1(CO)CCN(c2ncnc3ccccc23)CC1
| null |
halo
|
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