Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
56,460,774 | C1CC2(CCC1C(=O)NCC3=CC=C(C=C3)COC4=CC=CC=C4)C(=O)NC(=O)N2 |
56,460,775 | C1COCCN1CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)COC4=CC=CC=C4 |
56,460,776 | COC(=O)CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,777 | COC(=O)CNC(=O)CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3 |
56,460,778 | C1CC2(CCC1C(=O)NC3=CC4=C(C=C3)N=C(N4)C5=C(C=CC(=C5)F)F)C(=O)NC(=O)N2 |
56,460,779 | CC1=NC(=CS1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)N4C=NN=N4)F |
56,460,780 | CC1=CC2=C(O1)CC(CC2NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)(C)C |
56,460,781 | CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C |
56,460,782 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4 |
56,460,783 | CC1=CC=C(C=C1)OCCCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,460,784 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC=CC(=C3)COC4=CC5=C(C=C4)OCO5 |
56,460,785 | C1OC2=C(O1)C=C(C=C2)OCC3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F |
56,460,786 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=C(N=CC=C2)N3CCOCC3)C4=CC=CC=C4 |
56,460,787 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC(C3=NC=CN3C)(C(F)(F)F)O |
56,460,788 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)N(C)CC(=O)NC3=CC=CC(=C3)C#C |
56,460,789 | C1=CC=C(C=C1)/C(=C/C(=O)N(CC2=CC=C(C=C2)C#N)CC3=CC(=CC=C3)F)/C(F)(F)F |
56,460,790 | C#CC1=CC(=CC=C1)NC(=O)CNC(=O)C(C2=CC=CC=C2)N3CCCC3 |
56,460,791 | CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)C(C3=CC=CC=C3)N4CCCC4)F)C |
56,460,792 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)F |
56,460,793 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)N(C)C)Cl |
56,460,794 | CC1=C(N=C(S1)NC(=O)C2=CC=CC(=C2)CN3CCOCC3)C4=CC=C(C=C4)F |
56,460,795 | C1CC(N(C1)CC2=CC(=CC=C2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F)C(=O)N |
56,460,796 | CC(C)(C)OC(=O)N(C)CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,460,797 | CC1=NC(=CS1)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)CN4CCN(CC4)C |
56,460,798 | C1CC1(C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,799 | CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)C2CCN(CC2)CC3=CSC(=N3)C |
56,460,800 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NCCCCC(=O)OC |
56,460,801 | CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,460,802 | CC1=NC(=CS1)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3C(=O)N)OC)OC |
56,460,803 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=CC(=C(C=C2C(=O)N)OC)OC)C3=CC=CC=C3 |
56,460,804 | CCCC(C)(C)NC(=O)/C=C(/C1=CC=CC=C1)\C(F)(F)F |
56,460,805 | CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=CN2C3CCN(CC3)C(=O)OC(C)(C)C |
56,460,806 | CN1C(=NN(C1=S)CN(CC(=O)OC)CC(=O)OC)C2=CC=C(C=C2)OC |
56,460,807 | CCCN1C(=NN(C1=S)CN(CC(=O)OC)CC(=O)OC)C2=CC=NC=C2 |
56,460,808 | CN(CC1=CC2=C(C=C1)OCO2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC |
56,460,809 | CN(CC1=CC2=C(C=C1)OCO2)C3=CC(=C(C=C3)C#N)Cl |
56,460,810 | COC1=C(C=C2C(=C1)C(=NC(=N2)NCC3=CC=CC=C3CN4CCOCC4)N)OC |
56,460,811 | COC1=C(C=C2C(=C1)C(=NC(=N2)NCCNC3=CC=CC=C3[N+](=O)[O-])N)OC |
56,460,812 | C1=CC=C(C(=C1)NCCNC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-] |
56,460,813 | CC1=NC2=CC=CC=C2N1CCNC3=CC(=C(C=C3)C#N)Cl |
56,460,814 | COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C4=NN=C5N4C=CC=C5)N)OC |
56,460,815 | CN(CCCNC1=NC2=CC(=C(C=C2C(=N1)N)OC)OC)CC3=CC=CC=C3 |
56,460,816 | C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)C#N)Cl |
56,460,817 | COC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC |
56,460,818 | CN(C)C(=O)SC1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)Cl |
56,460,819 | CN(C)C(=O)SC1=CC=CC=C1NC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 |
56,460,820 | CN(C)C(=O)SC1=CC=CC=C1NC(=O)C2CC(=NO2)C3=CC=C(S3)Cl |
56,460,821 | CN(C)C(=O)SC1=CC=CC=C1NC(=O)CCC2=C(C(=C(C=C2)OC)OC)OC |
56,460,822 | CC1=CC=C(O1)C2=NC(=C(S2)C(=O)NC(C3=CC=CC=C3)C4=NNC(=N4)C)C |
56,460,823 | CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)CCC3=NC=C(O3)C4=CC=CC=C4Cl |
56,460,824 | CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)CCN3C=CC4=CC=CC=C43 |
56,460,825 | CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(C2=CC=CC=C2)C3=NNC(=N3)C |
56,460,826 | CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)CCC(=O)C3=CC4=C(CCCC4)C=C3 |
56,460,827 | CC1=CC=C(C=C1)OC(C)C(=O)NC(C2=CC=CC=C2)C3=NNC(=N3)C |
56,460,828 | CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCC(CC2)N3CCCC3 |
56,460,829 | C1CCN(C1)C2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5 |
56,460,830 | CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NC3=C(C=C(C=C3)OC)C(=O)OC |
56,460,831 | COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C(=O)OC |
56,460,832 | CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=C(NN=C3C(=O)N)C)C |
56,460,833 | CC1=C(C(=NN1)C(=O)N)NC(=O)C2=C(N=C(S2)COC3=CC=C(C=C3)Cl)C |
56,460,834 | CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=C(NN=C2C(=O)N)C)Cl |
56,460,835 | CC1=C(C(=NN1)C(=O)N)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3 |
56,460,836 | CC1=C(C(=NN1)C(=O)N)NC(=O)/C=C/C2=CC(=C(C=C2)OCC3=C(ON=C3C)C)OC |
56,460,837 | CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(NN=C3C(=O)N)C |
56,460,838 | CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=O)C3CCC4(CC3)C(=O)NC(=O)N4 |
56,460,839 | CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NNC(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C |
56,460,840 | CC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)CN3CCOCC3)S(=O)(=O)NC4=CC=C(C=C4)OC |
56,460,841 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC=C(C=C3)Cl |
56,460,842 | C1CN(CCN1C(=O)C2=CC=CC(=C2)CN3CCOCC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] |
56,460,843 | C1CC2(CCC1C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)NC(=O)N2 |
56,460,844 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CO3)N4CCCCC4 |
56,460,845 | CCOC(=O)C1=NN(C(C1)C(=O)NCC(C2=CC=CO2)N3CCCCC3)C4=CC=CC=C4 |
56,460,846 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 |
56,460,847 | C1COCCN1CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 |
56,460,848 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NNC(=O)C3=CC=CC=C3Cl |
56,460,849 | COC1=CC=C(C=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,460,850 | CC(C)(C)OC(=O)N(C)CC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2 |
56,460,851 | C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,460,852 | CC1=NC(=CS1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Br)N4CCOCC4 |
56,460,853 | COC(=O)CSCCC(=O)NC1=C(C=CC(=C1)Br)N2CCOCC2 |
56,460,854 | C1COCCN1CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,460,855 | C1COCCN1CC2=CC(=CC=C2)C(=O)NCC3=CC=CC=C3CN4CCOCC4 |
56,460,856 | CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C |
56,460,857 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3CN4CCCC4 |
56,460,858 | C1CC2(CCC1C(=O)NC3=CC(=C(C=C3)OC(F)F)CC4=CC=CC=C4)C(=O)NC(=O)N2 |
56,460,859 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N)OC)C3=CC=CC=C3 |
56,460,860 | C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,861 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4 |
56,460,862 | CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)F |
56,460,863 | CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CN(C)C(=O)OC(C)(C)C |
56,460,864 | CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,865 | C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,866 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)NC(=O)NCC4=CC=CO4 |
56,460,867 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3=CC=CO3)C4=CC=CC=C4 |
56,460,868 | CC1=NC(=CS1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC4=NN=CN4C |
56,460,869 | CN1C=NN=C1SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4N=C3N5CCCC5 |
56,460,870 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C4=NC=CS4 |
56,460,871 | CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,872 | C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,460,873 | C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |