smiles stringlengths 13 141 |
|---|
CC[C@H]1CCc2ccccc2N1C(=O)C[C@@H](C(=C)C)OCC |
C1CN(C[C@@H]1C[NH3+])C(=O)NCC2C3CC4CC(C3)CC2C4 |
C[C@@H](c1nnc(n1CCc2c(cc(cc2OC)OC)OC)N3CC[C@@H]4[C@@H]3CCC4)NS(=O)(=O)C |
CC(C)C(=O)N1CC[C@@H]2CN(C[C@@H]2C1)C(=O)C(C)(C)S(=O)(=O)C |
Cc1c(scn1)CCC(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]3[C@@H]2CCCC3 |
C[C@@H](C(=O)N[C@@H]1CCc2c(sc(n2)NC(=O)c3ccncc3Cl)C1)n4ccnc4 |
c1cc(cnc1)c2nc(cc(n2)Cl)C(N[C@@H]3CCc4c(ccc(=O)n4CCn5cccn5)C3)(F)F |
C[C@@H]([C@H]1C[C@H]1C(=O)[O-])[NH2+]Cc2nc(cs2)C#N |
Cc1ccc(cc1)S[C@@H](C)c2nc(no2)Cc3ccc(nc3)C |
CCOc1ccc(c(c1)C)NC(=O)C(=O)N[C@H]2CC[NH+](C2)[C@@H](C)c3ccccc3 |
Cn1cc(c(n1)C(F)F)NC(=O)C(=O)NCCCc2ccc(cc2)OC |
C[C@@]1(C(=O)NC(=O)N1)C[C@@H]2CCCN2C(=O)c3c(cc(cc3F)C(F)(F)F)F |
c1c(ncc(=O)[nH]1)C(=O)N[C@@H]2C[NH+](C[C@H]2O)CCCC3CCCC3 |
CC1(CC[C@@H]1C(=O)N(C)C2CN(C2)C(=O)[C@H]3CCCC[NH+]3C)C |
CCOc1ccc(cc1S(=O)(=O)NCCc2ccnc(c2)OC)NC(=O)c3ccccn3 |
C[C@@]1(CCN(C1)c2c3c(ncn2)scn3)NC(=O)c4cncs4 |
C[C@@H]1CC(CN1c2nnc(n2CC=C)c3cnc(s3)N)(C)C |
CCOC(=O)CC[C@@H]([NH2+][C@H]1CC[C@](CC1)(O)C)C |
Cn1c(=O)ccc(n1)C(=O)N=C2C(C3COCCC3S2)C(=O)[O-] |
c1c(c([nH]n1)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)F |
C[NH+](C)CCCC(=O)NC[C@@H]1CN(C[C@@H]1O)C(=O)c2cncs2 |
Cc1cc(ccc1CNC(=O)c2ccc(c(c2)S(=O)(=O)N(C)C)Cl)S(=O)(=O)N |
CC(C)(CCn1c(nnc1N2CCC(CC2)CNC(=O)C(F)(F)F)c3cc4ccccc4o3)O |
C[C@H]1C[NH+](CC[C@H]1NC(=O)c2ccnn2C3CCOCC3)CCC=C |
COc1cc(cc(c1OC)OC)N2C[C@H](CC2=O)C(=O)Nc3ccc(c(c3)NC(=O)N)F |
Cc1cc(cc(c1C(=O)N2CCCC23CN(C3)C(=O)CN4C(=O)C=CC4=O)C)OC |
c1ccc2c(c1)cccc2[C@H]3C[C@@H]3C(=O)Nc4ccc(cc4)c5cn6cccnc6[nH+]5 |
CCCC(=O)NC[C@H]1C[C@H](C1)[NH2+]Cc2nc(sc2)c3oc(cc3)C |
CCN(CC)C(=O)Cn1ccc2c1ccc(c2)NC(=O)[C@H](C)C3CCCC3 |
C[C@]1(CC[NH+](C1)CCO)NC(=O)c2cnc(s2)c3ccoc3 |
CCCCn1c(nnc1N2CCN(CC2)C(=O)c3cc(oc3C)C)c4cccc(c4)OC(F)F |
Cc1ccc(cc1)SCc2nnc(n2C[C@@H]3CCCN(C3)C(=O)C)N4CC(C4)(C)OC |
Cc1cccc(c1Cl)C(=O)N2CC[C@@H]([C@@H]2c3cccnc3)CNC(=O)c4cc(n(n4)C)C |
C[C@@H]1C[C@H](CN1C(=O)c2c[nH+]c3n2CCCC3)[NH2+]Cc4nnnn4C |
CCc1c(scn1)C(=O)Nc2nc3c(s2)C[C@@H](CC3)NC(=O)[C@H](C)c4cccs4 |
CC(C(=O)NC[C@H]1C[C@H](C1)[NH2+]Cc2nocc2)(c3ccccc3)C |
CCCc1c(c(no1)C)C(=O)N2CC[C@@H]([C@H]2c3cccnc3)CNC(=O)c4cc(cnc4)N(C)C |
C[C@@H](C(=O)Nc1cc([nH]n1)[C@@H]2CCCCN2C(=O)c3cccc(n3)OC4CCOCC4)OC(C)C |
CC(C)(C)OCc1cccc(c1)NC(=O)C2(CC2)C(C)(F)F |
Cn1ncc(n1)C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCCc3c2n[nH]n3)O |
C[C@@H](CNc1cncc(n1)C#N)NC(=O)C2CC2 |
CCS(=O)(=O)c1ccc(cc1)C(=O)N[C@H]2C[C@H](C23CCC3)[NH+]4CCOCC4 |
CC(C)C[C@H]1CCCN(C1)C(=O)Nc2ncc(s2)C3CCOCC3 |
CC[C@@H](c1ccccc1OC(F)F)NC(=O)N2CC[C@@H]([C@H](C2)C)C(=O)OC(C)(C)C |
CC[C@@H](C)CN(CC)c1nnc(n1C[C@H](C)c2nccs2)c3ccc(o3)C |
CCN(CC)CC[NH+]1CCN(CC1)S(=O)(=O)c2cnc(s2)NC(=O)C |
C=CCN(CC=C)C(=O)CN1CC[NH+](CC1)Cc2ccc(cc2)O |
Cc1ccc(c(c1)n2ccnc2SCC(=O)NC3CC[NH+](CC3)C)C |
C[C@H](CN(C)C(=O)c1c[nH]c2c1cccn2)NC(=O)[C@H](C)C3CC3 |
COc1ccc(cc1)[C@@H](C(F)(F)F)NC(=O)NCC2(CCC2)[NH3+] |
CCCc1ccc(cc1)C[NH+]2C[C@H]([C@@H](C2)OC)NC(=O)C3(CC3)CF |
CC[C@H](C(=O)N)[NH+](C)CCNC(=O)c1c(ncs1)C2CCCC2 |
CCC[C@H](C)N(C)c1nnc(n1C[C@]2(CCO[C@H]2C)O)c3ccc(cc3Cl)Cl |
c1c(cc(c2c1CCCN2C(=O)CC[C@H]3CCCO3)Cl)Cl |
C[C@@H]1CC[C@H](O1)CNC(=O)c2cc(c(c(c2)Cl)N)Cl |
C[C@@H](CNC(=O)NCC1(CCCC1)C(=O)[O-])c2ccncc2 |
C[C@@H](c1cn(nn1)c2ccccc2)[NH+]3C[C@@H]4C[C@H](C3)c5cccc(=O)n5C4 |
CC[C@@H]1CCC[C@H]1Cn2c(nnc2N3CCN(CC3)C(=O)C(C)(C)C)c4cnccn4 |
CC1CCN(CC1)S(=O)(=O)Cc2ccccc2CNC(=O)c3cc(c[nH]3)Cl |
Cc1cc(n2c(n1)ncn2)NCCNC(=O)C3=CCCC3 |
C[C@@H]1C[C@@H](C[C@]2(C1)C(=O)N(C(=O)N2)CC(=O)N3C[C@H]4[C@@H]5CC[C@@H]([C@@H]4C3)C=C5)C |
CC(=O)N1CCC[C@@H]1C(=O)NCc2ccc3c(c2)cccn3 |
c1cc(ccc1CS(=O)(=O)CC(=O)N[C@@H]2CCC(C2)(F)F)Br |
c1c(cncc1F)C(=O)N2CC(C2)(CNC(=O)[C@H]3CCCOC3)O |
c1ccc(c(c1)C#N)O[C@H]2CCCN(C2)C(=O)Oc3ccc(cc3)Cl |
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N2CCN(CC2)c3ccc(c(c3)Cl)Cl |
CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCN(C1)C(=O)[C@]23CCCC[C@H]2C3 |
c1cc([nH]c1)CC(=O)N2CC[NH+](CC2)Cc3ncc(s3)Cl |
Cc1c(nc(s1)NC(=O)CN2CCS(=O)(=O)[C@@H]3[C@@H]2CCOC3)c4ccc(cc4)Cl |
CCC[C@@H]1CCCN1S(=O)(=O)[C@H]2CCc3ccccc3C2 |
C[C@H](CC(=O)N1CC[C@](C1)(COC)C(=O)[O-])C(=O)c2cccc(c2)F |
c1cnc2nc(nn2c1)C(=O)N3CCC(CC3)[C@H]4CCCCN4C(=O)C5(CC5)c6ccc(cc6)O |
CCc1[nH]c([nH+]c1)CC(=O)N[C@H]2C[C@@H](C2)NC(=O)[C@@]3(CC=CCC3)C |
C[C@H]1C(=O)N(c2ccccc2O1)CCC(=O)NC[C@@](C)(C(F)(F)F)O |
C[C@@H]1[C@H](CCN1Cc2[nH+]cc(n2C)Cl)NC(=O)C(C3CC3)C4CC4 |
c1ccn(c1)CCNC(=O)N(CCC[NH+]2CCOCC2)Cc3ccncc3 |
CCOC(=O)c1cc(ccc1C)S(=O)(=O)N2CCC[C@@H]2[C@@H]3C[C@H](CC[C@H]3O)C |
Cc1ncc(o1)CC(=O)N[C@H]2CCC[NH+](C2)CCCN3CCCC3=O |
C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]2[C@H]3[C@@H]2C[NH+](C3)CCCOC |
C[C@@H]1CN(C[C@H]1CNc2ncccn2)C(=O)[C@H]3[C@H]4[C@@H]3CCCC4 |
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC(=O)N4CCc5c4cccc5 |
C[C@H]([C@@H]1CCC(=O)N1)C(=O)NCc2cc(no2)c3ccccc3 |
C[C@H](CC1CCCC1)C(=O)N2CCO[C@H]3[C@@H]2C[NH+](C3)Cc4nncn4C |
CCOC(=O)C1(CC[NH+](CC1)CC[C@@H](C)O)Cc2ccccc2C(F)(F)F |
C[C@@H](C#N)S(=O)(=O)N[C@H]1C[C@@H]2CN(C[C@@H]2C1)C(=O)OC(C)(C)C |
CC1([C@@H](C[C@H]1OC)n2c(nnn2)N3C4CCC3CC4)C |
Cc1c(cnn1C)C(=O)N(C)[C@H](C)CNC(=O)Cc2[nH]ccn2 |
CN([C@H]1CCN(C1)C(=O)[C@@H]2C[C@H]3[C@@H]4C[C@@H]4[C@@H]2O3)C(=O)c5c[nH]c(=O)cc5OC |
C[C@H]1C[C@@H](CO1)[NH2+]Cc2ccc(cc2)n3cnc4c3cccc4 |
Cc1ccc(cc1)C2=NC3(CCCCC3)N(C2=O)CC(=O)N4CCC[C@@H](C4)C |
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC[C@@H]2CCCS2 |
c1ccc(cc1)[C@H]2c3cccn3CCN2C(=O)C[C@@H]4CCc5ccccc5C4 |
C[C@H](C[C@@H](C)NC(=O)c1csc(=O)[nH]1)Nc2cnc(cn2)C#N |
c1cc(c2c(c1C(=O)NCC(CO)(F)F)cco2)F |
Cn1ccc(c1)C(=O)N2[C@@H]3CC[C@H]2[C@@H](C3)NC(=O)c4c(ccs4)OC |
CC[C@H](C)CN(CC)c1nnc(n1CCN2c3ccccc3C[C@@H]2C)[C@@H]4CCCCO4 |
CC(C)(C)CC[NH+]1CC[C@H](C1)NC(=O)c2ccc(cc2F)OC |
Cc1cccc(c1)CS(=O)Cc2csc(n2)Cc3ccc(cc3)Cl |
CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)OC(=O)c2c(c(n[nH]2)C3CC3)Br |
Cc1nnc(o1)CNc2c3c(cc(cc3OC)OC)ncn2 |
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