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 |
|---|---|---|---|---|---|---|
eb22fb94-dfc0-4032-af53-0646810d2aa1
|
add
|
Please add a carboxyl to the molecule CCCCNC(=O)CCCC(C)(C)c1ccc2cc3ccccc3cc2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCNC(=O)CCCC(C)(C)c1ccc2cc3ccccc3cc2c1.
|
CCCCNC(=O)CCC(C(=O)O)C(C)(C)c1ccc2cc3ccccc3cc2c1
|
carboxyl
| null |
75f6b01a-d469-44a3-8b1d-f59138ece235
|
add
|
Modify the molecule CC(=O)c1ccc(Cc2ccc3ccccc3n2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1ccc(Cc2ccc3ccccc3n2)cc1
|
CC(=O)c1ccc(Cc2ccc3c(-c4ccccc4)cccc3n2)cc1
|
benzene
| null |
0b004d00-3ca1-4949-8f02-6316b43a1355
|
add
|
Modify the molecule O=C([O-])c1cn(CC(=O)N2CCCC2CO)nn1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1cn(CC(=O)N2CCCC2CO)nn1
|
O=C([O-])c1cn(CC(=O)N2C(CO)CCC2C(=O)O)nn1
|
carboxyl
| null |
00f675e5-fea7-445a-8670-ebc6b78c5700
|
add
|
Please add a benzene ring to the molecule CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2)c1.
|
CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)C(C)c2ccccc2-c2ccccc2)c1
|
benzene
| null |
3e0b709e-fccf-403f-b01a-cd9f7f9a0ab8
|
add
|
Modify the molecule CCCC1CC(C[NH3+])(N(CC)Cc2ccncc2)CCO1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1CC(C[NH3+])(N(CC)Cc2ccncc2)CCO1
|
CCCC1CC(C[NH3+])(N(CC)Cc2ccnc(O)c2)CCO1
|
hydroxyl
| null |
569506eb-7069-4dbb-8738-c064507d494b
|
add
|
Modify the molecule C#CC(Br)CBr by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CC(Br)CBr
|
C#CC(Br)C(O)Br
|
hydroxyl
| null |
04a49acc-5a19-4591-9932-090ea8b1315d
|
add
|
Please add a benzene ring to the molecule Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)ccc1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)ccc1=O.
|
Cn1nc(C[NH+]2CCN(c3ccc4ncnc(N5CCCC5)c4c3)CC2)c(-c2ccccc2)cc1=O
|
benzene
| null |
daeadb99-b953-47a6-b4bb-6f70d2dd6821
|
add
|
Please add a hydroxyl to the molecule CCCC([NH3+])C#Cc1cccc(OCC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC([NH3+])C#Cc1cccc(OCC)c1.
|
CCCC([NH3+])C#Cc1ccc(O)c(OCC)c1
|
hydroxyl
| null |
67c0ac42-cc72-4585-a9b7-3ee2a8291d0a
|
add
|
Please add a hydroxyl to the molecule CCCOc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1.
|
CC(O)COc1ccc(-c2cc(C(C(=O)OCCCOP(=O)([O-])[O-])n3cnc4c3C=CN(c3cccc(F)c3F)N4)on2)c(C(F)(F)F)c1
|
hydroxyl
| null |
e789b289-79c7-4f20-bb8d-0c97c73b5f78
|
add
|
Modify the molecule CC1CCCC(CNC(=O)NC(C(=O)[O-])C(C)O)C1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC(CNC(=O)NC(C(=O)[O-])C(C)O)C1
|
CC1CCCC(CNC(=O)NC(C(=O)[O-])C(O)CCC=O)C1
|
aldehyde
| null |
61c51098-1ebf-4ecc-9469-c1fdb594c1cf
|
add
|
Please add a benzene ring to the molecule CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CCC(=O)N1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CCC(=O)N1.
|
CN(Cc1ccccc1C#CC[NH3+])C(=O)C1(c2ccccc2)CCC(=O)N1
|
benzene
| null |
877cf500-bf0e-4576-868b-95ee0b9cd553
|
add
|
Please add a hydroxyl to the molecule COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCOC3=O)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCOC3=O)cc2)cc1.
|
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CC(O)OC3=O)cc2)cc1
|
hydroxyl
| null |
a2495e0b-8b74-4ca7-b798-9c0f85cf7be7
|
add
|
Please add a amine to the molecule O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C12CC3CC(CC(C3)C1)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C12CC3CC(CC(C3)C1)C2.
|
NC1C2CC3CC1CC(C(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1)(C3)C2
|
amine
| null |
af435425-ee2a-47a1-9dff-b0e25c7e9636
|
add
|
Please add a benzene ring to the molecule CC1CSCC1NC(=O)CC[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CSCC1NC(=O)CC[NH3+].
|
CC1CSC(c2ccccc2)C1NC(=O)CC[NH3+]
|
benzene
| null |
d6ed646f-2c5d-4338-884e-ad1301b27695
|
add
|
Modify the molecule Cc1ncc(-c2cccc(-c3ncc(C(C=NCC(=O)N4CCCC4)=C[NH3+])cn3)c2)s1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ncc(-c2cccc(-c3ncc(C(C=NCC(=O)N4CCCC4)=C[NH3+])cn3)c2)s1
|
Cc1ncc(-c2cccc(-c3ncc(C(=C[NH3+])C(CC=O)=NCC(=O)N4CCCC4)cn3)c2)s1
|
aldehyde
| null |
b18dab7f-66e6-43cc-95c7-94fc04644efa
|
add
|
Please add a carboxyl to the molecule Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4ccco4)CC3c3cccs3)nnc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4ccco4)CC3c3cccs3)nnc12.
|
Cn1c(=O)c2ccccc2n2c(SCC(=O)N3N=C(c4cc(C(=O)O)co4)CC3c3cccs3)nnc12
|
carboxyl
| null |
12152113-62e9-486c-81e7-822561463278
|
add
|
Please add a hydroxyl to the molecule Cn1ncc(CNc2ccc(F)cc2C#N)c1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1ncc(CNc2ccc(F)cc2C#N)c1N.
|
Cn1ncc(CNc2c(O)cc(F)cc2C#N)c1N
|
hydroxyl
| null |
144b2096-4c8c-4b9e-b305-8d4815b97329
|
add
|
Modify the molecule CC(C)C(CC[NH3+])c1ccc2c(c1)COCC2 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(CC[NH3+])c1ccc2c(c1)COCC2
|
CC(C)C(CC[NH3+])c1cc2c(cc1C#N)CCOC2
|
nitrile
| null |
6187e7d9-d977-4467-9e55-bd22fd5b474b
|
add
|
Modify the molecule COCC(C)(O)C1CC1(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(C)(O)C1CC1(C)C
|
COCC(C)(O)C1CC1(C)Cc1ccccc1
|
benzene
| null |
2d599e30-7fac-4ad5-a5ad-505c9b793ef0
|
add
|
Modify the molecule O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCc2cccnc21 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C1CCc2cccnc21
|
O=C(Nc1ccc(N2C(=O)CCC2C(=O)O)c(F)c1)C1CCc2cccnc21
|
carboxyl
| null |
80d5469a-cf6c-44d7-8979-c50090a58fad
|
add
|
Modify the molecule CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)CC)C(C)SC)C(C)SC)C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)CC)C(C)SC)C(C)SC)C(C)C
|
CCSCC([NH3+])C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(C)=O)C(C)C(C)c1ccccc1)C(C)SC)C(C)SC)C(C)C
|
benzene
| null |
a2cbb1b1-5c92-4862-bc94-36735df3de41
|
add
|
Please add a benzene ring to the molecule [NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1)c1ccccc1.
|
[NH3+]C(c1ccccc1)C(NS(=O)(=O)c1c(-c2ccccc2)cccc1-c1ccccc1-c1ccccc1)c1ccccc1
|
benzene
| null |
4f527830-51d1-4faf-936a-5f21c576ed84
|
add
|
Please add a hydroxyl to the molecule [O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12.
|
[O-][P+]([O-])([O-])c1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3O)cc([P+]([O-])([O-])[O-])c3ccccc23)c2ccccc12
|
hydroxyl
| null |
d7850cbe-68a1-433b-aa4c-adbe7855395e
|
add
|
Please add a hydroxyl to the molecule COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1.
|
COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4c(O)[nH+]c5cc(CCC(C)(C)O)ccn45)c3)no2)C1
|
hydroxyl
| null |
85c28c2b-75db-4c7c-b620-82cf7d5a417e
|
add
|
Modify the molecule COc1ccccc1C[NH+](C)CC1(C[NH3+])CCCC(C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C[NH+](C)CC1(C[NH3+])CCCC(C)C1
|
COc1ccccc1C(c1ccccc1)[NH+](C)CC1(C[NH3+])CCCC(C)C1
|
benzene
| null |
1822de63-ee30-435c-9a3f-c19463733f96
|
add
|
Modify the molecule C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1
|
C=C(CC)CC(=O)C(C)(C)[NH+]1CCOCC1c1ccccc1
|
benzene
| null |
b5352d34-7926-4bfb-a991-9e6a254c186f
|
add
|
Please add a hydroxyl to the molecule O=C1C=C(c2ccccc2)OC1C(=O)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C=C(c2ccccc2)OC1C(=O)c1ccccc1.
|
O=C1C=C(c2ccccc2)OC1C(=O)c1cccc(O)c1
|
hydroxyl
| null |
7c055d25-db98-49d3-9e79-d204e27f9960
|
add
|
Modify the molecule CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C
|
CC(C)C(C)C(O)C(O)C(C)C1CC(O)C2C3CC(=O)C4CCC(O)CC4(C)C3CCC12C
|
hydroxyl
| null |
f4867874-3ae3-4820-8f1a-32f59ce4fc04
|
add
|
Modify the molecule CCCc1ncc(C(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1ncc(C(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])n1
|
CCCc1ncc(C(=O)c2ccc(C)c(C)c2O)c(C(=O)[O-])n1
|
hydroxyl
| null |
6c15f6a9-98e0-4f85-9457-f569c812b155
|
add
|
Please add a hydroxyl to the molecule O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1nccs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1nccs1.
|
O=S(=O)(c1c[nH+]c2n1CCC2)N1CCSCC1c1ncc(O)s1
|
hydroxyl
| null |
dc53a7ad-1c44-4200-90b4-ee465518470c
|
add
|
Modify the molecule CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1ccccc1
|
CS(=O)(=O)C(Cl)(Cl)S(=O)(=O)Oc1cccc(-c2ccccc2)c1
|
benzene
| null |
06d8952b-092d-4f4e-a8c5-16feb04f2b91
|
add
|
Modify the molecule Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cs1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cs1
|
Cc1nc(C[NH+]2CCN(S(=O)(=O)c3ccc(CC(C)C)c(-c4ccccc4)c3)CC2)cs1
|
benzene
| null |
a6826bc9-0784-4244-b8bb-7ed06f736b46
|
add
|
Please add a benzene ring to the molecule CC1=NCC2(C[NH+]3CCC2C3)O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=NCC2(C[NH+]3CCC2C3)O1.
|
CC1=NCC2(C[NH+]3CC(c4ccccc4)C2C3)O1
|
benzene
| null |
6cd042b5-3ee7-4e05-81d5-d57a0dbd85c9
|
add
|
Please add a benzene ring to the molecule CCCc1noc(N)c1-c1cccc(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1noc(N)c1-c1cccc(C(F)(F)F)c1.
|
CCCc1noc(N)c1-c1cc(C(F)(F)F)ccc1-c1ccccc1
|
benzene
| null |
80c0c992-066c-4506-bd78-c7bf63a8a8a1
|
add
|
Please add a carboxyl to the molecule [NH3+]C(c1cc(F)cc(F)c1)c1nnc(CC(=O)[O-])o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(c1cc(F)cc(F)c1)c1nnc(CC(=O)[O-])o1.
|
[NH3+]C(c1nnc(CC(=O)[O-])o1)c1cc(F)cc(F)c1C(=O)O
|
carboxyl
| null |
edeb6325-765e-454e-88ce-79c61e0c5ec9
|
add
|
Modify the molecule CCOC(=O)C1(C(=O)OCC)C=C(C(=O)OC)C[NH2+]1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C1(C(=O)OCC)C=C(C(=O)OC)C[NH2+]1
|
CCOC(=O)C1(C(=O)OCC)[NH2+]CC(C(=O)OC)=C1C(=O)O
|
carboxyl
| null |
ed9b754b-3b8e-4260-865a-cbd06b17fc3e
|
add
|
Please add a benzene ring to the molecule CC(O)C1CC[NH+](Cc2c[nH+]c3ccc(Br)cn23)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(O)C1CC[NH+](Cc2c[nH+]c3ccc(Br)cn23)C1.
|
CC(O)C1C[NH+](Cc2c[nH+]c3ccc(Br)cn23)CC1c1ccccc1
|
benzene
| null |
bfe8ed37-27d8-4dad-b77b-291f16bdf63c
|
add
|
Modify the molecule O=C(NC1CCCCCC1)N1CCC(c2ccncn2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCCCCC1)N1CCC(c2ccncn2)CC1
|
O=C(NC1CCCCCC1O)N1CCC(c2ccncn2)CC1
|
hydroxyl
| null |
d42d733c-c389-41b1-bc6f-1e0e90996f6d
|
add
|
Modify the molecule CCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCCc2ccccc2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCCc2ccccc2)cc1
|
CCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCCc2ccccc2O)cc1
|
hydroxyl
| null |
dcd57c87-c8ac-4ba4-bbb1-5aee7fc81eb3
|
add
|
Modify the molecule CC(CO)(CO)Nc1c(N)c[nH+]c2ccc(Br)cc12 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CO)(CO)Nc1c(N)c[nH+]c2ccc(Br)cc12
|
CC(CO)(CO)Nc1c(N)c[nH+]c2cc(-c3ccccc3)c(Br)cc12
|
benzene
| null |
0d7a209d-c4d3-4153-af7c-c7c6703a660e
|
add
|
Modify the molecule CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1
|
CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1cccc(N)c1
|
amine
| null |
1686eb7e-286f-41f8-9fe9-76fc64c89d8c
|
add
|
Please add a aldehyde to the molecule C1CCC(C2NC(C34CC5CC(CC(C5)C3)C4)=[NH+]C2C2CCCCC2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C1CCC(C2NC(C34CC5CC(CC(C5)C3)C4)=[NH+]C2C2CCCCC2)CC1.
|
O=CCC1CCCCC1C1NC(C23CC4CC(CC(C4)C2)C3)=[NH+]C1C1CCCCC1
|
aldehyde
| null |
3fc302af-a6ac-4924-98e0-d661c39afb96
|
add
|
Please add a amine to the molecule CCCCC(OC1CC2CCC(C1)[NH+]2CCCC)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(OC1CC2CCC(C1)[NH+]2CCCC)c1ccccc1.
|
CCCCC(OC1CC2CCC(C1)[NH+]2CCC(C)N)c1ccccc1
|
amine
| null |
453faa41-02ce-46b4-bd19-628e30349d28
|
add
|
Please add a carboxyl to the molecule Cc1cccc(N2CC[NH+](CCCNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(N2CC[NH+](CCCNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)c1.
|
Cc1cccc(N2CC[NH+](CCCNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)CC2)c1C(=O)O
|
carboxyl
| null |
342eb66d-3423-4a92-ace3-39371736adb0
|
add
|
Please add a benzene ring to the molecule CCC(C)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccccc1C)c1c(C)cccc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C(=O)Nc1ccccc1C)c1c(C)cccc1C.
|
Cc1ccccc1NC(=O)C(c1c(C)cccc1C)N(C(=O)C(CO)NC(=O)OC(C)(C)C)C(C)C(C)c1ccccc1
|
benzene
| null |
af25c516-d308-43ee-8ffc-d56e3ee2c029
|
add
|
Please add a thiol to the molecule C=NC=CC(C(=O)[O-])=C(C)Nc1nn(CCC2CCCC2)c2ccc(F)cc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=NC=CC(C(=O)[O-])=C(C)Nc1nn(CCC2CCCC2)c2ccc(F)cc12.
|
CC(Nc1nn(CCC2CCCC2)c2ccc(F)cc12)=C(C=CN=CS)C(=O)[O-]
|
thiol
| null |
222dcf70-a8aa-432c-8da2-0eea96db9e90
|
add
|
Please add a thiol to the molecule C[NH+]=C(NCCCOc1ccccc1C)N1CCN(c2ccccn2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCCCOc1ccccc1C)N1CCN(c2ccccn2)CC1.
|
C[NH+]=C(NCCC(S)Oc1ccccc1C)N1CCN(c2ccccn2)CC1
|
thiol
| null |
2419aaaf-9c8b-4fd6-858e-33df3ca40d58
|
add
|
Modify the molecule C[Si](C)(C)C#CC#CI by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[Si](C)(C)C#CC#CI
|
C[Si](C)(C#CC#CI)Cc1ccccc1
|
benzene
| null |
65f6ab35-7985-47b5-97dd-7a18f353ebaa
|
add
|
Please add a carboxyl to the molecule NC(=[NH+]O)c1nccn1-c1nncs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=[NH+]O)c1nccn1-c1nncs1.
|
NC(=[NH+]O)c1nccn1-c1nnc(C(=O)O)s1
|
carboxyl
| null |
3bc84d43-5cb7-4aaf-9069-294103f2a8ec
|
add
|
Modify the molecule c1nc2c(cc1CN1CC[NH2+]CC1)CCOC2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1nc2c(cc1CN1CC[NH2+]CC1)CCOC2
|
c1ccc(-c2nc3c(cc2CN2CC[NH2+]CC2)CCOC3)cc1
|
benzene
| null |
430d3338-9cdd-42c5-bc8a-1991a1bb1842
|
add
|
Modify the molecule CN(CC1CCCCC1O)C(=O)c1cccc(Cl)c1Cl by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC1CCCCC1O)C(=O)c1cccc(Cl)c1Cl
|
CN(CC1CCC(C#N)CC1O)C(=O)c1cccc(Cl)c1Cl
|
nitrile
| null |
8af67d3c-c9f6-47aa-901a-b360d8041ca0
|
add
|
Modify the molecule C=C(C)C[NH+](C)CC(C)(CC)C[NH3+] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C[NH+](C)CC(C)(CC)C[NH3+]
|
CCC(C)(C[NH3+])C[NH+](C)CC(C)=CO
|
hydroxyl
| null |
6f8cce8a-44f8-45d0-b0c5-c0f7cd921141
|
add
|
Please add a aldehyde to the molecule C#CC(CC)NC(=O)C1(C[NH3+])CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CC(CC)NC(=O)C1(C[NH3+])CCCC1.
|
C#CC(NC(=O)C1(C[NH3+])CCCC1)C(C)CC=O
|
aldehyde
| null |
4e89ff7b-e641-49d2-a515-ac3fa7bc5736
|
add
|
Please add a benzene ring to the molecule CN1CC[NH+](CCC(=O)NN)C(C)(C)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN1CC[NH+](CCC(=O)NN)C(C)(C)C1=O.
|
CN1C(=O)C(C)(C)[NH+](CCC(=O)NN)CC1c1ccccc1
|
benzene
| null |
11ff89b4-b604-49af-a543-62c64001f2e0
|
add
|
Modify the molecule CN(CCC(=O)[O-])C(=O)NCC1CCCc2ccccc21 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CCC(=O)[O-])C(=O)NCC1CCCc2ccccc21
|
CN(CCC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCc2ccccc21
|
benzene
| null |
d041e3a2-e076-461a-b949-83f6fcba9f25
|
add
|
Please add a hydroxyl to the molecule Cc1nn(C)c2ncc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)c2ncc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc12.
|
Cc1nn(C)c2ncc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)c(O)c12
|
hydroxyl
| null |
de4edfcf-d816-46cc-a97f-51eb897b421d
|
add
|
Please add a hydroxyl to the molecule COc1ccccc1C=CCN(CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)CC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C=CCN(CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)CC(C)(C)C.
|
CC(C)(C)CC(=O)N(CC=Cc1ccccc1O)CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1
|
hydroxyl
| null |
513219a8-3f12-4bdf-b9f5-1fc840ac933b
|
add
|
Please add a carboxyl to the molecule Cc1ccnc(Nc2ccc(C(=O)[O-])c(C)c2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccnc(Nc2ccc(C(=O)[O-])c(C)c2)n1.
|
Cc1ccnc(Nc2cc(C)c(C(=O)[O-])cc2C(=O)O)n1
|
carboxyl
| null |
c761ecb4-3740-4ed5-9bba-72d7edbb53c4
|
add
|
Modify the molecule CC=C(C)C(=O)Nc1cccc(-n2cccc2)c1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC=C(C)C(=O)Nc1cccc(-n2cccc2)c1
|
CC=C(C)C(=O)Nc1cccc(-n2cccc2C(=O)O)c1
|
carboxyl
| null |
4414a1ea-979f-43a9-99f0-7387d39af6c8
|
add
|
Modify the molecule COc1ccc2ccccc2c1C1=C(C)C(C2C(=O)Nc3ccc(Br)c(C)c32)c2ccccc21 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc2ccccc2c1C1=C(C)C(C2C(=O)Nc3ccc(Br)c(C)c32)c2ccccc21
|
COc1ccc2c(-c3ccccc3)cccc2c1C1=C(C)C(C2C(=O)Nc3ccc(Br)c(C)c32)c2ccccc21
|
benzene
| null |
5d5a4535-84ef-454b-9bab-64a18f92bade
|
add
|
Modify the molecule COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1F
|
COCCN(CC(F)(F)F)S(=O)(=O)c1c(F)cc(F)cc1-c1ccccc1
|
benzene
| null |
f4b068f7-0c5c-4eb2-8fdb-e0e688f6e586
|
add
|
Please add a benzene ring to the molecule CC(CNC=S)c1ccc(C(C)CNC=S)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CNC=S)c1ccc(C(C)CNC=S)cc1.
|
CC(CNC=S)c1ccc(C(C)C(NC=S)c2ccccc2)cc1
|
benzene
| null |
4252d6b7-11c4-4acb-b0fc-933d7f13047e
|
add
|
Modify the molecule CCOC(=O)C([NH3+])CCSCCCC1CCCO1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C([NH3+])CCSCCCC1CCCO1
|
CCOC(=O)C([NH3+])C(CSCCCC1CCCO1)c1ccccc1
|
benzene
| null |
166dfdbe-3404-4955-9b70-6ca84f4bc706
|
add
|
Modify the molecule c1cc(-c2ccc3c(c2)C[NH2+]CC3)c2cc[nH]c2n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1cc(-c2ccc3c(c2)C[NH2+]CC3)c2cc[nH]c2n1
|
Oc1c(-c2ccnc3[nH]ccc23)ccc2c1C[NH2+]CC2
|
hydroxyl
| null |
d4a4688b-9413-4ea4-a224-bbc86a837985
|
add
|
Modify the molecule CCCCC([NH3+])(CCCC)C1(c2ccccc2)CC[NH+](CCC(c2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC([NH3+])(CCCC)C1(c2ccccc2)CC[NH+](CCC(c2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
|
CCCCC([NH3+])(CCCC)C1(c2ccccc2O)CC[NH+](CCC(c2ccccc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
|
hydroxyl
| null |
8b686130-ad70-450c-9acb-7be68ffff4a1
|
add
|
Modify the molecule Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccccc2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccccc2)cc1
|
Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(O)cc3Br)c2-c2ccccc2)cc1
|
hydroxyl
| null |
0a98e866-d5e6-4a0c-acbf-5470487163f0
|
add
|
Please add a hydroxyl to the molecule N=C1C=NC2=CN=C[N+]2([NH3+])C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N=C1C=NC2=CN=C[N+]2([NH3+])C1.
|
N=C1C=NC2=CN=C(O)[N+]2([NH3+])C1
|
hydroxyl
| null |
4476d4ea-1509-4ca8-8daa-a4f640af1bbb
|
add
|
Modify the molecule CCOC(=O)C(Cc1cn(C)c2ccc(OC)cc12)N=Cc1ccccc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(Cc1cn(C)c2ccc(OC)cc12)N=Cc1ccccc1
|
CCOC(=O)C(Cc1cn(C)c2ccc(OC)cc12)N=Cc1ccc(C(=O)O)cc1
|
carboxyl
| null |
853f922d-9b15-4bad-abf6-8201621acbc9
|
add
|
Please add a benzene ring to the molecule COC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
|
COC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2-c2ccccc2)CC1
|
benzene
| null |
22b673a2-1873-4f61-b07c-78706652408b
|
add
|
Please add a aldehyde to the molecule [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(C4Nc5ccccc5S4)cc3)CC2)CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(C4Nc5ccccc5S4)cc3)CC2)CCC1.
|
[NH3+]C1(C(=O)N2CCN(C(=O)c3ccc(C4Nc5ccccc5S4)cc3)CC2CC=O)CCC1
|
aldehyde
| null |
93f4dd90-23ee-4893-b7cd-e5e4daf80ef3
|
add
|
Please add a benzene ring to the molecule CCCCCCCCCCCCCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1.
|
CCCCCCCCCCC(CCCCCCCC1COC(COCCCCCCCC[n+]2ccsc2)C1)c1ccccc1
|
benzene
| null |
ec766670-d71e-423d-ad19-205ded758931
|
add
|
Modify the molecule COc1ccc2c(c1)c(C1C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N1c1cc(F)ccc1F)cn2C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc2c(c1)c(C1C(c3ccc(OC)c(OC)c3)=C(O)C(=O)N1c1cc(F)ccc1F)cn2C
|
COc1ccc2c(c1)c(C1C(c3ccc(OC)c(O)c(OC)c3)=C(O)C(=O)N1c1cc(F)ccc1F)cn2C
|
hydroxyl
| null |
dbb9ceba-26c3-41b4-b00a-9265e5c379b6
|
add
|
Please add a hydroxyl to the molecule C=C(c1ccccc1)c1ccc(CC)cc1Nc1ccc(C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(c1ccccc1)c1ccc(CC)cc1Nc1ccc(C)cc1.
|
C=C(c1ccccc1)c1ccc(CC)cc1Nc1ccc(C)c(O)c1
|
hydroxyl
| null |
a5c8faf6-61cf-4229-b1d1-76d15d3463de
|
add
|
Modify the molecule COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3)C2=O)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3)C2=O)cc1
|
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4cccc(Br)c4)c(OC)c3-c3ccccc3C2=O)cc1
|
benzene
| null |
d3c3aac1-ae11-4856-8c54-ae27bd5bd9f6
|
add
|
Please add a benzene ring to the molecule CC1CN(S(=O)(=O)CCOCC2CCCC2)CCS1(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CN(S(=O)(=O)CCOCC2CCCC2)CCS1(=O)=O.
|
O=S1(=O)CCN(S(=O)(=O)CCOCC2CCCC2)CC1Cc1ccccc1
|
benzene
| null |
c4bd1ff2-5afb-48f4-9925-bbe34208ca18
|
add
|
Modify the molecule CCc1ccc(C2[NH2+]C(CC)C(=O)N2CC)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(C2[NH2+]C(CC)C(=O)N2CC)cc1
|
CCc1ccc(C2[NH2+]C(CC)C(=O)N2C(C)C(=O)O)cc1
|
carboxyl
| null |
84821d31-8e31-4a35-9240-14729c3d9746
|
add
|
Please add a benzene ring to the molecule COc1ccc(Cc2nc3scc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cc2nc3scc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)cc1OC.
|
COc1ccc(Cc2nc3scc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)cc1OCc1ccccc1
|
benzene
| null |
523fa3f4-03fa-40a3-9e7b-f87e58517e83
|
add
|
Please add a carboxyl to the molecule CCC[NH2+]C(C)c1csc(NC(=O)C2OCCC2C)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(C)c1csc(NC(=O)C2OCCC2C)n1.
|
CCC[NH2+]C(C)c1csc(NC(=O)C2OCCC2(C)C(=O)O)n1
|
carboxyl
| null |
4fe11192-e972-49c5-a596-b6b755ef937f
|
add
|
Modify the molecule COCCNC(=O)Cc1ccc(C(C)(C)C)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCNC(=O)Cc1ccc(C(C)(C)C)cc1
|
COCCNC(=O)Cc1ccc(C(C)(C)Cc2ccccc2)cc1
|
benzene
| null |
2d6ea402-6564-4cfe-abce-fd87557a5fda
|
add
|
Please add a hydroxyl to the molecule CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)c1ccc(Cl)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)c1ccc(Cl)c(Cl)c1.
|
CN(C(=O)c1ccc(Cl)c(Cl)c1)C(CCO)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
|
hydroxyl
| null |
22c221ca-4547-4414-be0b-abd0411ee878
|
add
|
Modify the molecule C#CC(OC1CCCCO1)C(C)(C)CCOCCOCCC(C)(C)CO[Si](C)(C)C(C)(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CC(OC1CCCCO1)C(C)(C)CCOCCOCCC(C)(C)CO[Si](C)(C)C(C)(C)C
|
C#CC(OC1CCCCO1)C(C)(C)CCOCCOCCC(C)(CO)CO[Si](C)(C)C(C)(C)C
|
hydroxyl
| null |
93a0c520-8ccb-45bb-91cd-9cf15bead5bc
|
add
|
Please add a amine to the molecule O=C1C(Cc2ccccc2)CCC2C=CN(c3ccccc3)N1C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C(Cc2ccccc2)CCC2C=CN(c3ccccc3)N1C2.
|
Nc1ccccc1CC1CCC2C=CN(c3ccccc3)N(C2)C1=O
|
amine
| null |
d476e3d3-894c-48b3-8c16-bac1cdb62198
|
add
|
Modify the molecule CC([NH3+])(C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])(C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)C1)c1ccccc1
|
CC([NH3+])(C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2O)C1)c1ccccc1
|
hydroxyl
| null |
581873e2-37c3-4456-b51d-e6a36f823bed
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCc6ccccc65)nc34)n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCc6ccccc65)nc34)n2)cc1.
|
Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5c6ccccc6CCC5O)nc34)n2)cc1
|
hydroxyl
| null |
92d92657-3963-47ca-a65e-a4084a39f519
|
add
|
Modify the molecule Cn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21
|
Cn1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc2cccc(-c3ccccc3)c21
|
benzene
| null |
d4ca4eb0-5130-42a0-b0e7-aec7e00432f7
|
add
|
Please add a hydroxyl to the molecule CN(C(=O)OC(C)(C)C)c1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2)ccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C(=O)OC(C)(C)C)c1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2)ccn1.
|
CC(C)(C)OC(=O)N(CO)c1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2)ccn1
|
hydroxyl
| null |
42b73907-b69e-4b66-a82f-5e3fa0c2ca7e
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC3(CCOC3)C2)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC3(CCOC3)C2)cc1C.
|
Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(C)OC3(COC(O)C3)C2)cc1C
|
hydroxyl
| null |
7ce5c437-1b54-4646-ac79-8795d02c7d39
|
add
|
Modify the molecule C1CC(SCC[NH2+]C(C2CC2)C2CC2)CC[NH2+]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C1CC(SCC[NH2+]C(C2CC2)C2CC2)CC[NH2+]1
|
c1ccc(C(CSC2CC[NH2+]CC2)[NH2+]C(C2CC2)C2CC2)cc1
|
benzene
| null |
306bb9c4-bf53-4b12-a122-7bb05b81ddfd
|
add
|
Modify the molecule Cn1cc(CNC(=O)COc2ccccc2)ccc1=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cc(CNC(=O)COc2ccccc2)ccc1=O
|
O=C(COc1ccccc1)NCc1ccc(=O)n(CO)c1
|
hydroxyl
| null |
b4f3d788-4357-4e87-969d-bb981b568705
|
add
|
Please add a nitrile to the molecule CCc1nn(CC)c(CC(NN)C2CCC(CC)C2)c1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nn(CC)c(CC(NN)C2CCC(CC)C2)c1Cl.
|
CCc1nn(CC)c(CC(C#N)(NN)C2CCC(CC)C2)c1Cl
|
nitrile
| null |
a4c991d8-1b02-49d3-8d27-3a5031d3cc18
|
add
|
Modify the molecule Cc1[nH]c(C(C)(C)[NH3+])nc(=O)c1C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1[nH]c(C(C)(C)[NH3+])nc(=O)c1C(C)C
|
Cc1[nH]c(C(C)(C)[NH3+])nc(=O)c1C(C)Cc1ccccc1
|
benzene
| null |
fc836b7c-76ce-42ce-ad68-fb63d699d951
|
add
|
Modify the molecule N#Cc1ccc(Nc2nccc3n[nH]c(=O)n23)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1ccc(Nc2nccc3n[nH]c(=O)n23)cc1
|
N#Cc1ccc(Nc2nccc3n[nH]c(=O)n23)cc1C(=O)O
|
carboxyl
| null |
a8887f20-078b-4429-8561-5512f6390c02
|
add
|
Modify the molecule COC(=O)N1CCCN(C(=O)c2ccccn2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)N1CCCN(C(=O)c2ccccn2)CC1
|
COC(=O)N1CCCN(C(=O)c2ccccn2)C(O)C1
|
hydroxyl
| null |
3d9646d4-bfc6-433e-8077-978124ad576a
|
add
|
Modify the molecule O=C=NC=C(N=C=O)C1CCCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C=NC=C(N=C=O)C1CCCCC1
|
O=C=NC(=C(N=C=O)C1CCCCC1)c1ccccc1
|
benzene
| null |
846c5051-4620-4895-9112-5aa04b80ef3f
|
add
|
Modify the molecule CCC(C#N)S(=O)(=O)NCC(O)C(F)(F)F by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C#N)S(=O)(=O)NCC(O)C(F)(F)F
|
CCC(C#N)S(=O)(=O)NC(C(=O)O)C(O)C(F)(F)F
|
carboxyl
| null |
f992f4f7-0666-4d36-8939-f6c205453540
|
add
|
Modify the molecule CC1(O)CCC[NH+](CC(=O)c2ccc(Br)s2)C1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(O)CCC[NH+](CC(=O)c2ccc(Br)s2)C1
|
CC1(O)CCC[NH+](CC(=O)c2ccc(Br)s2)C1C(=O)O
|
carboxyl
| null |
eb8588ee-a2dd-4b01-9227-ef5fa49e4fb2
|
add
|
Modify the molecule COCCCN(CC(=O)N(CCOC)Cc1cccn1C)S(=O)(=O)c1cccc2cccnc12 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCN(CC(=O)N(CCOC)Cc1cccn1C)S(=O)(=O)c1cccc2cccnc12
|
COCCCN(CC(=O)N(CCOC)C(c1ccccc1)c1cccn1C)S(=O)(=O)c1cccc2cccnc12
|
benzene
| null |
6c0d1b5c-4b3b-4924-bbea-ca774056c8c0
|
add
|
Modify the molecule C[Si](C)(C)CCOCn1ccc2c(NC3CCCCC3)c(S(C)(=O)=O)c[nH+]c21 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[Si](C)(C)CCOCn1ccc2c(NC3CCCCC3)c(S(C)(=O)=O)c[nH+]c21
|
C[Si](C)(CS)CCOCn1ccc2c(NC3CCCCC3)c(S(C)(=O)=O)c[nH+]c21
|
thiol
| null |
1b0b3f45-6bcf-432c-b7ad-84eb9f1b0a96
|
add
|
Please add a benzene ring to the molecule CN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2ccsc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2ccsc21.
|
CN1C(=O)N(Cc2cccc(-c3ccccc3)c2)S(=O)(=O)c2ccsc21
|
benzene
| null |
9b8dd984-8c57-40b0-b90b-8f5b55e5d160
|
add
|
Please add a hydroxyl to the molecule COCC1(c2cccc(C3(C[NH3+])CC3)c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC1(c2cccc(C3(C[NH3+])CC3)c2)CC1.
|
COCC1(c2cc(O)cc(C3(C[NH3+])CC3)c2)CC1
|
hydroxyl
| null |
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