smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
COc1ccc(Cl)cc1NC(=O)Cn1nc2c(cc1=O)CCCCC2 | 700 |
CCC(F)(F)C(=O)Nc1ccccc1 | 701 |
CCOc1ccc(/C=C/C(=O)N(CCC(=O)OC)CCC(C)C)cc1OC | 702 |
COc1ccccc1NC(=O)C(C)Sc1nnnn1-c1ccccc1OC | 703 |
CCOC(=O)c1ccc(Nc2c(C#N)cnn2-c2ccccn2)nn1 | 704 |
CCc1cc(OC)c(CC(=O)OC)c(OC)c1 | 705 |
Cc1cc(Cl)cc(C)c1Oc1ccc(CCl)cn1 | 706 |
O=C(CCc1ccccc1)NCCC1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 | 707 |
CCC(SC1=Nc2ccccc2C2=NC(CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12)C(=O)Nc1cccc(OC)c1 | 708 |
CN1CCCC(CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(C(=O)O)CN(C(=O)OC(C)(C)C)C2)C1 | 709 |
CC1CCC(C(N)=O)CN1C[C@@H](C)O | 710 |
CN(C)C1(C)CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 | 711 |
COCCNC(=O)c1c[nH]nc1C1CCCN(C(=O)C(C)(C)c2ccccc2)C1 | 712 |
CCC(C)[C@H](N)C(=O)NCC(F)(F)F | 713 |
O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccncc1)c1ccc2c(c1)OCCO2 | 714 |
Cc1nn(C)c2ncnc(N(C)Cc3cccc(-c4nnn[nH]4)c3)c12 | 715 |
Clc1ccc(Nc2nccc(Nc3cccc4cccnc34)n2)cc1Cl | 716 |
O=C(NC1CCN(c2ccc(Cl)c(F)c2)C1)N1CCn2ncnc2C1 | 717 |
C[C@@H](OCc1nc(-c2ccccn2)no1)C(=O)O | 718 |
CC(C)CN(CCC(=O)O)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 | 719 |
CCOCc1cc(CN2CCC(c3nc(O)cc(-c4cccnc4)n3)CC2)ccc1OC | 720 |
Cc1cc(NC(=O)c2sc(C3CCOC3)nc2C)cs1 | 721 |
COC(=O)c1cc(C#N)c(SC(F)(F)F)c(CBr)c1 | 722 |
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O | 723 |
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2 | 724 |
COc1cc(C(N)C2CCSC2)sn1 | 725 |
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 | 726 |
O=C(CCc1ccccc1)N1CCC[C@H](Cn2nnc(-c3cnccn3)n2)C1 | 727 |
Cc1n[nH]c(C(=O)Nc2ccc3cn[nH]c3c2)n1 | 728 |
CC(C)(C)c1ccc(CCC(=O)N2CCCNC(=O)C2)cc1 | 729 |
CCN1CCCC(O)(Cc2nccn2C)CC1 | 730 |
COc1ccc(-c2nnc(C)o2)cc1NC(=O)Cc1cc(F)ccc1C | 731 |
CCC(CC)N(CCBr)c1cccnn1 | 732 |
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)C=Cc2c(Cl)nc3ccccn23)CC1 | 733 |
O=C(CSc1nccn1-c1cccc(Cl)c1)N1CCNC1=O | 734 |
O=C(COC(=O)c1ccccn1)Nc1cc(F)cc(F)c1 | 735 |
CC(C)c1ncc(NC(=O)C2(S(C)(=O)=O)CC2)cn1 | 736 |
CO[C@@H](C(=O)N1CCC(C2(C)N=N2)CC1)c1ccccc1 | 737 |
CCn1c(=O)c(NCC2(C)CCN(C)CC2)nc2ccccc21 | 738 |
COc1ccc(NC(=O)C2=C(C)N=C(O)NC2c2cccc(Cl)c2)c(OC)c1 | 739 |
N#CCCCOc1c(F)cc(CN)cc1F | 740 |
C[C@H](N)C(=O)Nc1ccc(CN)cc1 | 741 |
N#CC1=C(N)Oc2c(ccc3[nH]ccc23)C1c1cccc(O)c1 | 742 |
CCCNc1cncc(SC2CCOCC2)n1 | 743 |
O=C(O)c1ccc2c(c1)CN(C(=O)C1Cc3ccccc3O1)CC2 | 744 |
CC(C)c1ccc(/C=C2/SC(=O)NC2=O)cc1 | 745 |
CCOC(=O)c1cnc(SC)nc1Sc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 | 746 |
CC1CN(C(=O)C(C)(C)C)CC(C)N1C(=O)C1CC(=O)N(C)C1 | 747 |
Nc1ncc(Cl)cc1C(O)c1ccc(F)cc1Cl | 748 |
CCOC(=O)C1=C(C)/C(=N/Nc2ccccc2C)N=C1C | 749 |
CC(=O)Nc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 | 750 |
CC(C(=O)O)N1C[C@@H](C)N[C@@H](C)C1 | 751 |
COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 | 752 |
CCc1ccccc1Oc1nnc(Cl)c(C)c1C | 753 |
NC1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 | 754 |
Cc1ccc(C2CCCCN2C(=O)CC2Oc3ccccc3NC2=O)cc1 | 755 |
Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cccc3c2OCC(=O)N3)cn1 | 756 |
CC(Oc1ccc(F)cc1)C(=O)N1C2CCNCC1CC2 | 757 |
COC(=O)C1=NOC2(CCN(CCC(C)(C)C)CC2)C1 | 758 |
O=S(=O)(c1ccccn1)N1CCC(Oc2cccnc2N2CCCC2)C1 | 759 |
CC1CC(C)N(C(=O)CC2Oc3ccccc3NC2=O)C1 | 760 |
O=C(NC[C@H]1[C@@H](C(=O)O)C1(F)F)c1ncccn1 | 761 |
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)C2c2ccc(F)cc2)cc1 | 762 |
Cn1nc(-c2cc3ccccc3s2)nc1N | 763 |
CC(C)(C)c1csc(CC2CCN(C(=O)c3cncc(Cl)n3)CC2)n1 | 764 |
COc1ccc(C)cc1NC(=O)Cn1nc2c(cc1=O)CCCC2 | 765 |
Cc1ccncc1CC(=O)Nc1ccc(CO)c(CO)c1 | 766 |
Cc1noc(CCCNC(=O)C2CN(Cc3ccccc3)CCO2)n1 | 767 |
CC(NCC1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 | 768 |
Cc1noc(C)c1CNC(=O)NCc1ccc(CN(C)C)cc1 | 769 |
COc1cc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] | 770 |
CCC1CCCCN1C(=O)c1ccnc(NCC2CCCO2)n1 | 771 |
Cn1cc(Cn2ccnc2N)nn1 | 772 |
CCOC(=O)c1nocc1C(=O)c1ccc(Br)cc1 | 773 |
COCCC(C)NC(=O)c1ccc2c(c1)NCC2 | 774 |
Clc1cccc(N2CCN(c3cc(Nc4ccccc4)ncn3)CC2)c1 | 775 |
Cc1nc(C(C)NC(CO)C(C)C)c(C)s1 | 776 |
Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1O | 777 |
COc1ccc(C2CCCN2C(=O)c2c(F)cccc2F)cc1 | 778 |
Cc1nc(N)ccc1-c1cn(C)nn1 | 779 |
COc1ccccc1CCNC(=O)c1ccc(NCc2ccccc2F)nn1 | 780 |
Cc1ccsc1CCNS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O | 781 |
COCc1noc(C(C)N2CCCC(C)C2)n1 | 782 |
Cc1nn(CCO)c(C)c1CNc1ccn(C)n1 | 783 |
ClC1COCC1NCc1ccsc1Br | 784 |
CCCOc1ccc(Cl)cc1C(=O)N1CCC(NCC2CC2)CC1 | 785 |
Cc1nc(C(C)n2cnc3sc4c(c3c2=O)CCC(NCCc2cccc(F)c2)C4)cs1 | 786 |
CC1COCCN1CCN(Cc1ccccc1)CC1(O)CCOCC1 | 787 |
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1Cl | 788 |
CC(C)(C)OC(=O)NCC1CCN(c2cnc(C(=O)O)cn2)C1 | 789 |
COc1ccc(NC(=O)NC2C3CCOC3C23CCCC3)c2cccnc12 | 790 |
COc1cc(Br)c(CNC2CCN(C(C)=O)CC2)cc1OC | 791 |
CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 | 792 |
CCSCCC1NCCc2ccoc21 | 793 |
Cc1cnc(C(C)n2c(C)nnc2S)s1 | 794 |
COCCNc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)s1 | 795 |
CCC[C@@H](CC(=O)N[C@H](CCO)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 | 796 |
CCC1CC(C(=O)Nc2nc3cccnc3s2)CCO1 | 797 |
CCC1CCC(N)(c2ncccn2)C1 | 798 |
Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1 | 799 |
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