product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
c1(cc2c(ccc(c2)NC(NCC)=O)nc1O)C(=O)O | 726 |
CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(=O)OC | 727 |
CC(C)(C)OC(=O)NC(c1cccc(c1)[N+](=O)[O-])C | 728 |
CC(C)(C)OC(NC(C1CN(CC1)c2ccc(Cl)cc2[N+]([O-])=O)C)=O | 728 |
CC(C)(C)OC(=O)NC(CC1COCCC1)CNC(Oc2ccc(cc2)[N+](=O)[O-])=O | 729 |
c1cc(ccc1)COC(=O)NC(c2ccccc2OC)CCC=C | 729 |
C1CCCCCN1CCN2CCC(CC2)NC(c3[nH]c4cccc(OCc5cocc5)c4c3)=O | 730 |
CC(C)(C)NC(c1cc2c([nH]1)ccc(NC(=O)C3(CC3)c4cc5OCOc5cc4)c2)=O | 731 |
Cc1cc(cc(C)c1O)CNC(c2sc(c3c2CC4C(C)(C)C34)C)=O | 732 |
O(c1ccn2c(c1)nc(C)c2C(=O)NC)C | 733 |
C1CC(CCO1)CC(C(Nc2sc(C(=O)NC)cn2)=O)c3ccc(cc3)S(=O)(=O)C | 734 |
C1CN(CCC1NC(=O)c2cc(-c3sccc3)on2)CCSc4nc5cc(ccc5nc4)OC | 735 |
CC(C)(C)C(NC(c1nn(c2C3CC3Cc12)-c4cc(Br)ccn4)=O)CO | 736 |
[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12 | 737 |
CC(C)C1C2C3C(C1CC2)CCCC3NC(=O)c4c(F)n(nc4C(F)F)C | 738 |
FC(F)(F)C(CC(C)(C)c1c(OC)ccc(F)c1)(CNC(=O)c2cnn(c2N)-c3ccc(cc3F)F)O | 739 |
FC(F)(F)c1cc(n(n1)-c2c(cccn2)Cl)C(Nc3c(C(=O)NC)cc4c(nsn4)c3Cl)=O | 740 |
c1ccccc1CC(NC(=O)c2cccnc2-n3cc4ccccc4n3)C(O)C(=O)OCC | 741 |
[nH]1cc(C(NC)=O)c2ccc([N+]([O-])=O)cc12 | 742 |
C1CN(CCN1c2ccc(C(NC)=O)cn2)Cc3cc4c(N5C(CCCC5)C(=O)N4)nc3 | 743 |
C1CN(CCO1)Cc2ccn(-c3c(C(=O)NC(Cc4ccccc4)C(C(=O)N)O)cccn3)n2 | 743 |
CC(C)(c1ccc(cc1)CNC(=O)c2c(Oc3ccc4nsnc4c3)nccc2)O | 743 |
c1cc(ccc1)C(CC)NC(c2c3n(cc2)CCOC3)=O | 743 |
O=C(NC1c2c(cccn2)C(N=[N+]=[N-])C(c3c(c(ccc3)F)F)CC1)c4cnc5c(c4)CC6(c7cccnc7NC6=O)C5 | 744 |
FC(F)(F)Oc1ccc(cc1)CC(N2CC(F)(F)C(Oc3cc(cnc3N)C(NC)=O)C2)=O | 745 |
FC(F)(F)C1(c2c(N(C(=O)N1)Cc3ccc(cc3)OC)ccc(c2)Br)CNC(c4ccc(cc4)F)=O | 746 |
C1C(CN1S(=O)(=O)CCC)(CNC(c2c(Cl)cc(cc2)Cl)=O)N3CCOCC3 | 747 |
c1cc(ccc1C#CCc2ccc3C(C)(C)CCC(C)(C)c3c2)C(=O)NCC | 748 |
c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O | 748 |
c1ccccc1C(c2ccc(cc2)C(=O)NCCCCCCCCCCC(O)=O)=O | 748 |
CC(C)(C)OC(=O)COc1c(Cl)ccc(c1)C(NCC(O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3C)=O | 749 |
Cc1nc(C(N2CC3C(C2CNC(=O)c4c5C=CCOc5ccc4)C3)=O)c(s1)-c6cccc(c6)C | 749 |
c1c(cc(cc1)OC)CCNC(c2cc(cc(c2)-c3ccccc3OC)-n4nnnc4)=O | 749 |
c1cc(ccc1C)-c2cc(cc(-n3nnnc3C)c2)C(=O)NC(COC)C | 749 |
CC(C)(C)OC(=O)N(C)C(CNC(=O)c1cccc(C(OCCNC(OC)=O)c2cc(Cl)ccc2)c1)CC3CCCOC3 | 750 |
CC(C)n1ncc2c(C(=O)NCc3c(c(c(nc3O)C)F)C)cc(-c4ccncc4)nc12 | 750 |
C1CC(CCN1C(=O)OCC)NC(=O)c2c(Oc3c(cc(Cl)cc3)Cl)cccc2 | 751 |
c12ccc(cc1n[nH]c2)C(NC)=O | 751 |
CC(C)(C)OC(N1CC(CNC(=O)c2ccccc2)CC(N3c4cccc(Cl)c4-c5noc(c5C3=O)C)C1)=O | 752 |
CC(C)(C)OC(N1CCc2n(CCNC(=O)c3ccccc3)c4ccccc4c2CC1)=O | 752 |
c1cc(ccc1CCCCOCCCCBr)C(NCc2c(CC)nc3n(ncc3c2NC4CCN(CC4)C(=O)N)CC)=O | 752 |
C1CN(CCN1C)c2nc(nc3c2ccc(C(=O)NCc4cc(Oc5ccc(cc5)OC)ccc4)c3)N | 753 |
CC(C)(C)OC(=O)NCC(c1cc(cc(Br)c1)F)NC(c2c(F)cc(-c3c(ncc(C4CCOCC4)n3)N)cc2)=O | 753 |
CC(C)(C)OC(=O)Nc1nc(OC)c(CNC(c2cc(Br)cc3n(C(C)C)cc(C)c23)=O)c(C)c1 | 753 |
CC(C)(C)OC(N(c1ccc(cc1)C2CCCCC2)Cc3ccc(cc3)C(=O)NCC(C(=O)OC)O)=O | 753 |
O=C(n1ccc2cc(Oc3ncnc(N)c3)ccc12)NC | 754 |
o1c(-c2csc(c2)Cl)cc(C3CC4CC4N3C(=S)NC)n1 | 755 |
c1cc(ccc1C2CC(CNCCO)CCC2)Cl | 756 |
c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F | 757 |
c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br | 758 |
c1ccccc1C(c2ccccc2)N3CC(C3)(NCc4ccccc4)CNC(C)C | 758 |
c1cc(ccc1C(c2ccc(cc2)Cl)CCNC)Br | 759 |
c1ccccc1C(c2cc(OC)cc3c2cc[nH]3)CCNC | 759 |
C1CC(CCN1c2ccccc2OC)CNCC3COc4ccccc4O3 | 760 |
c1ccccc1C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCNCc5cc(ccc5)F | 760 |
C(CC(NCCC)CC(=O)N)CCCCCCCCCCC | 761 |
C1CCCCC1C2(COC2)CNC | 762 |
C1CN(CCC12CC(C(C2)NCc3nc4c(SCC(N4)=O)cc3)O)c5ccnc6ccc(nc56)OC | 763 |
O=S(=O)(n1cc(c(F)c1-c2ccccc2)CNC)c3cnccc3 | 764 |
FC(F)(F)c1cc(ccc1CNC2CCN(CC2)c3c4c(cccc4)c(nn3)-c5ccnn5C)F | 765 |
O(CC)P(OCC)(=O)C(P(OCC)(OCC)=O)CCCCNCc1ccccc1 | 766 |
c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1 | 767 |
c1cc2scc(Sc3c(CNC)cc(cc3)C)c2cc1 | 768 |
c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2 | 769 |
c1ccccc1CCCCC#Cc2c(F)cc(CNCCCP(O)(O)=O)cc2 | 770 |
c1cc(ccc1CNC)C(=O)c2ccccc2 | 771 |
c1ccccc1SC(CNC=O)c2c3ccccc3ccc2OC | 772 |
c1cc(ccc1)C(C(c2cccc3ccccc23)O)CNC | 773 |
FC(F)(F)c1cc(n(n1)C)Oc2cccc(CNC)n2 | 774 |
c1cc(ccc1)CN2CC(NC)C(c3cc(c(Cl)cc3)Cl)C2 | 775 |
c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC | 776 |
C1CNCCC1=C(c2cccnc2)c3ccc(cc3)F | 777 |
c1c2CC(C(Cc3cc(c(cc3)Cl)Cl)c2ccc1)NC | 778 |
C1CCCC1N2C(CC)C(=O)N(C)c3cnc(nc23)-c4c(cncc4)CNS(=O)(=O)C | 779 |
C1CCCCC1S(=O)(=O)NCCc2cc(cc(CCC(OCC)=O)c2)Cc3cccnc3 | 780 |
c1cc(ccc1)CS(=O)(=O)NC2CCC(CC2)c3nc(c([nH]3)-c4cc5OCOc5cc4)-c6nc(ccc6)C | 781 |
O=S(=O)(c1cccc(-c2nc(nc(NCCc3ccc(cc3)OC)c2)OC)c1)NCC | 782 |
CC1(C)C(N(c2ccc(OCCCNS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2N(C)C1=O)CC)=O | 783 |
O=S(=O)(c1ccc(cc1)O)NCC(N2CCN(CC2)C(OCc3ccccc3)=O)C(OC)=O | 784 |
FC(F)(CNc1ccc(C#N)c(c1F)CC(=O)OCC)c2ccc(cn2)C | 785 |
c1cc(ccc1-c2cnnc(NCCO)c2)F | 786 |
Clc1ccc(c(Cl)c1)-c2c(c(NC(CCC)C)ncc2)[N+]([O-])=O | 787 |
n1c(-c2ncccc2)c(cc3ccsc13)C(C)Nc4c5[nH]cnc5ncn4 | 788 |
CCNc1c(C#N)c(O)nc(C)c1 | 789 |
CC(C)c1nc(O)c(c(NCC)c1)[N+](=O)[O-] | 790 |
c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nc(C)no4)c2-c5ncccc5)F | 791 |
c1(c(c(ncn1)N)C#N)NC(C)c2nc3ccc(cc3c(-c4nnc(o4)C)c2-c5ncccc5)F | 791 |
C1CC(CCC1C(=O)OCC)Nc2nccc(-n3ccc4c3cccc4Br)n2 | 792 |
C1CC1c2cc([nH]n2)Nc3c(Cl)cnc(NC(c4ccc(F)cn4)C)n3 | 793 |
FC(F)(F)Cc1sc2ncnc(NCC3CCN(CC3)C(=O)OC(C)(C)C)c2c1 | 794 |
C1CC(CCN1Cc2ccc(OC)c(OCC)c2)Nc3nc(nc(c3)C)N | 795 |
FC(F)(F)C(C1CCC(CC1)Nc2ncnc(c2Cl)CC)O | 796 |
c1ccccc1-c2c(nc(SC)nc2)NC | 797 |
CC(C)(C)OC(Nc1c2c(ncn1)n(-c3ccc(cc3)NC)nc2I)=O | 798 |
O=C(NNc1ccc(cn1)F)N2C(C)CCCC2 | 799 |
c1(C(=O)NCC2N(CC2)C(=O)CO)cc(F)c(nc1NCCc3cccc(F)c3)-c4cnn(C)c4 | 800 |
FC(F)(F)c1ccc(cc1)-c2nnc(N3CCN(C(C)C3)C(N4CCC(CC4)(F)F)=O)c5c2ccnc5 | 801 |
FC(F)(F)c1ccc(cc1)NC(N2CCCC2c3c(Cc4ccc(cc4)Cl)c(C)no3)=O | 802 |
FC(F)(F)C(=O)NCC1N(C(c2c(sc(N)n2)-c3cc(F)ccc3)=O)C4CCC1C4 | 803 |
c1cc(ccc1-c2ccc(cc2)C3C(CCN4C(C)CCC4)C3)C#N | 804 |
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