SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
CNc1ncc2cc(-c3c(C)ccc4c(Nc5cc(C(C)(C)C)nn5C)nccc34)ccc2n1 | braf |
CN(C)Cc1ccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)cc1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)Nc1cccc(C(F)(F)F)c1 | braf |
CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 | braf |
C#Cc1cccc(Nc2nccc3c(Nc4ncccc4-c4cc(NC)ncn4)c(C)ccc23)c1 | braf |
CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)nccc34)ccc2n1 | braf |
CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1 | braf |
CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4ccc5sc(C)nc5c4)nccc23)ncn1 | braf |
CNc1nccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1 | braf |
CN(C)CCNc1ccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)cn1 | braf |
CN1CCN(c2ccc(-c3cnn4c(-c5cc(NC(=O)c6cccc(C(F)(F)F)c6)ccc5F)ccnc34)cn2)CC1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(C(F)(F)F)c1 | braf |
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1 | braf |
Oc1cc(-c2[nH]cnc2-c2ccncc2)ccc1Cl | braf |
CCOC(=O)N1C2CCC1CC(c1ccnc3c(-c4ccc5cc[nH]c5c4)c(-c4ccncc4)nn13)C2 | braf |
CN1CCN(Cc2ccc(-c3cnn4c(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)ccnc34)cc2)CC1 | braf |
O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | braf |
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1 | braf |
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)NC3CCCCC3)c2)n1 | braf |
O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1 | braf |
O=C(Nc1ccc(Oc2ccnc(C(=O)Nc3cccnc3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 | braf |
O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc(C(F)(F)F)[nH]c2-c2ccnc(NCCN3CCNC3=O)n2)c1 | braf |
CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | braf |
O=C(Nc1ccc2c(c1)CCC2)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCCc5ncc[nH]5)c4)nn23)c1)c1cccc(C(F)(F)F)c1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCN5CCCC5)c4)nn23)c1)c1cccc(C(F)(F)F)c1 | braf |
Cn1cc(-c2ccc3c(c2)C(=O)NC3)c(-c2ccncc2)n1 | braf |
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 | braf |
Cn1cc(-c2ccc3cn[nH]c3c2)c(-c2ccncc2)n1 | braf |
O=C(Nc1ccc(Oc2ccnc(C(=O)NCCN3CCOCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 | braf |
O=C(Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1)c1cccc(C(F)(F)F)c1 | braf |
CC(C)(C)NC(=O)NCCNc1nccc(-c2[nH]c(C3CC3)nc2-c2ccccc2Cl)n1 | braf |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 | braf |
Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnnc2)ccc1Cl | braf |
O=C(Nc1ccc(OCCN2CCOCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(N4CCOCC4)nn23)c1)c1cccc(C(F)(F)F)c1 | braf |
Cn1cncc1-c1cc2nccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2n1 | braf |
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(NCCCn2ccnc2)c1 | braf |
NC(=O)c1cccc(Nc2nccc(-c3[nH]c(C(F)(F)F)nc3-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)n2)c1 | braf |
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c2)n1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCCN5CCCC5)c4)nn23)c1)c1cccc(C(F)(F)F)c1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCCN5CCCC5=O)c4)nn23)c1)c1cccc(C(F)(F)F)c1 | braf |
CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1 | braf |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)on1 | braf |
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(NCCc2cnc[nH]2)c1 | braf |
CCOC(=O)N1C2CCC1CC(c1ccnc3c(-c4ccc(-c5nnco5)cc4)c(-c4ccncc4)nn13)C2 | braf |
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(C2=NCCN2)c1 | braf |
CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnn2C)cn1 | braf |
O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCN5CCOCC5)c4)nn23)c1)c1cccc(C(F)(F)F)c1 | braf |
O=C(Nc1cccc(-c2ccnc3c(C(=O)NCCN4CCOCC4)cnn23)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 | braf |
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)NCc3ccccc3)c2)n1 | braf |
CCN(CC)CCNC(=O)c1cnn2c(-c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12 | braf |
Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 | braf |
Cc1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2 | braf |
CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cnn2C)cn1 | braf |
CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)C(F)(F)O3)ccn1 | braf |
O=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | braf |
CNC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnn2C)ccn1 | braf |
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12 | braf |
CCN1CCN(Cc2cc(-c3cnn4c(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)ccnc34)co2)CC1 | braf |
CN(C)c1ccc(NC(=O)c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccn2)cc1 | braf |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1 | braf |
Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1 | braf |
O=C(NCc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | braf |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)cc2)ccn1 | braf |
CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc(Cl)cc5)nccc34)ccc2n1 | braf |
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 | braf |
Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 | braf |
O=C(Nc1cccc(-c2ccnc3c(-c4ccoc4)cnn23)c1)c1cccc(C(F)(F)F)c1 | braf |
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 | braf |
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=S)Nc3ccccc3)c2)n1 | braf |
O=C(Nc1cccc(-c2ccnc3c(-c4coc(CN5CCCC5)c4)cnn23)c1)c1cccc(C(F)(F)F)c1 | braf |
O=C(Nc1cccc(-c2ccnc3c(-c4cnn(CCN5CCCC5)c4)cnn23)c1)c1cccc(C(F)(F)F)c1 | braf |
COC(=O)c1cnn2c(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12 | braf |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1 | braf |
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O | braf |
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cccnc2)n1 | braf |
CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1 | braf |
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1 | braf |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 | braf |
Cc1cccc(C)c1-n1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n2c3ccccc3nc12 | braf |
O=C(Nc1cccc(-c2ncnc3cc(-c4ccncc4)sc23)c1)c1cccc(C(F)(F)F)c1 | braf |
O=C(Nc1cccc(-c2ccnc3c(C#CCCCN4CCOCC4)cnn23)c1)c1cccc(C(F)(F)F)c1 | braf |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)no1 | braf |
CC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1 | braf |
Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1 | braf |
CN1CCN(CCCC#Cc2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)CC1 | braf |
O=C(Nc1cccc(-c2ccnc3c(-c4cnc(N5CCOCC5)nc4)cnn23)c1)c1cccc(C(F)(F)F)c1 | braf |
CC(=O)Nc1cccc(-c2cncc(Nc3cc(Cl)nc(Cl)c3)n2)c1 | braf |
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccc3c(cnn3C)c2)n1 | braf |
O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1 | 5ht1b |
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | 5ht1b |
NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2 | 5ht1b |
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cc(Cl)cc3c2OCCO3)CC1 | 5ht1b |
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21 | 5ht1b |
CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1 | 5ht1b |
O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2ccccc2O1 | 5ht1b |
CN1CCN(c2cccc3[nH]c(=O)oc23)CC1 | 5ht1b |
C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1 | 5ht1b |
Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1 | 5ht1b |
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