EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C(O[C@@H]2[C@H]1[C@@]3([C@@H](C2)[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@@H]4CC3=O)C)O)C)CC[C@@H](C)CO
InChI: InChI=1S/C27H42O4/c1-15(14-28)5-8-22-16(2)25-23(31-22)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h15,17-21,23,25,28-29H,5-14H2,1-4H3/t15-,17+,18+,19-,20-,21+,23+,25+,26+,27-/m1/s1
SMILES: CCCCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C23H26N2O4/c1-3-4-14-28-19-12-10-18(11-13-19)21-20(16(2)24-23(27)25-21)22(26)29-15-17-8-6-5-7-9-17/h5-13,20-21H,2-4,14-15H2,1H3,(H2,24,25,27)/t20-,21+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCC4=CC=CC=C4C3)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6CCCCC6)C
InChI: InChI=1S/C38H51NO3/c1-27-9-8-20-37(2)35(18-21-38(37,42)26-39-22-19-29-10-6-7-13-31(29)25-39)33-17-15-28(23-32(40)16-14-27)24-34(33)36(41)30-11-4-3-5-12-30/h6-7,9-10,13,15,17,24,30,32,35,40,42H,3-5,8,11-12,14,16,18-23,25-26H2,1-2H3/t32-,35-,37-,38+/m0/s1
SMILES: C1[C@@H]2CON([C@H]2C3=C(O1)C=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C21H16ClNO3/c22-16-8-5-14(6-9-16)21(24)23-20-15(12-26-23)11-25-18-10-7-13-3-1-2-4-17(13)19(18)20/h1-10,15,20H,11-12H2/t15-,20-/m1/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCCC[C@@H]4CO
InChI: InChI=1S/C21H33NO3/c1-14-6-5-8-21(2)11-19-16(10-18(14)21)17(20(24)25-19)12-22-9-4-3-7-15(22)13-23/h15-19,23H,1,3-13H2,2H3/p+1/t15-,16+,17+,18-,19-,21+/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC4=C3N=C(N=C4Cl)OC)OC(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C28H26ClN3O6/c1-16-4-8-18(9-5-16)26(33)36-15-22-21(38-27(34)19-10-6-17(2)7-11-19)14-23(37-22)32-13-12-20-24(29)30-28(35-3)31-25(20)32/h4-13,21-23H,14-15H2,1-3H3/t21-,22+,23+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5CN(C[C@H](O5)C)C(C)(C)C
InChI: InChI=1S/C29H45NO5/c1-17(2)23-10-20-11-27(15-31)22-9-8-18(3)21(22)12-28(20,29(23,27)25(32)33)16-34-24-14-30(26(5,6)7)13-19(4)35-24/h10,15,17-22,24H,8-9,11-14,16H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22-,24-,27+,28?,29+/m1/s1
SMILES: CCCC[C@@H]1C[C@H]1[C@H](C2=CC=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3
InChI: InChI=1S/C22H26ClNO/c1-2-3-9-18-15-20(18)22(17-10-12-19(23)13-11-17)24-21(25)14-16-7-5-4-6-8-16/h4-8,10-13,18,20,22H,2-3,9,14-15H2,1H3,(H,24,25)/t18-,20-,22+/m1/s1
SMILES: C1=CC(=CC=C1[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=C(C=C5)C)CC
InChI: InChI=1S/C45H68FN5O10/c1-13-34-45(14-2)37(51(42(56)61-45)20-16-15-19-50-24-32(48-25-50)31-18-17-27(4)47-23-31)29(6)35(52)26(3)22-43(8,57-12)39(30(7)38(54)44(9,46)41(55)59-34)60-40-36(53)33(49(10)11)21-28(5)58-40/h17-18,23-26,28-30,33-34,36-37,39-40,53H,13-16,19-22H2,1-12H3/t26-,28-,29+,30+,33+,34-,36-,37+,39-,40?,43+,44+,45-/m1/s1
SMILES: CC1=CC=C(S1)C(=O)C2=C[C@]34CC(CC[C@@]3([C@@H]5[C@]2(C=C4)[C@@H]6CC[C@]([C@]6(CC5)C)(CN(CC7=CC=C(C=C7)OC(F)(F)F)C[C@H](COCC8=CC=CC=C8)O)O)C)O
InChI: InChI=1S/C46H54F3NO6S/c1-30-9-14-37(57-30)40(53)36-24-43-21-22-45(36)38(41(43,2)18-15-33(51)23-43)16-19-42(3)39(45)17-20-44(42,54)29-50(25-31-10-12-35(13-11-31)56-46(47,48)49)26-34(52)28-55-27-32-7-5-4-6-8-32/h4-14,21-22,24,33-34,38-39,51-52,54H,15-20,23,25-29H2,1-3H3/t33?,34-,38-,39-,41-,42+,43+,44-,45-/m1/s1
SMILES: COC1=C(C=C2[C@@H]3C[C@@H]([C@H](CN3CCC2=C1)C(=O)N4CCC[C@H]4C#N)N)OC
InChI: InChI=1S/C21H28N4O3/c1-27-19-8-13-5-7-24-12-16(21(26)25-6-3-4-14(25)11-22)17(23)10-18(24)15(13)9-20(19)28-2/h8-9,14,16-18H,3-7,10,12,23H2,1-2H3/t14-,16-,17-,18-/m0/s1
SMILES: CCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@H]2C=CC3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H20N2O4/c1-2-27-21(24)14-9-10-19-18(12-14)16-7-4-8-17(16)20(22-19)13-5-3-6-15(11-13)23(25)26/h3-7,9-12,16-17,20,22H,2,8H2,1H3/t16-,17-,20+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C[C@H]3[C@@H]([C@@H]([C@@H]2N3C(=O)OC(C)(C)C)O)O
InChI: InChI=1S/C18H23NO6S/c1-10-5-7-11(8-6-10)26(23,24)13-9-12-15(20)16(21)14(13)19(12)17(22)25-18(2,3)4/h5-9,12,14-16,20-21H,1-4H3/t12-,14+,15-,16+/m0/s1
SMILES: CCCNC(=O)[C@H](C)NC(=O)COC(=O)CN1C(=O)[C@]2(CCCC[C@@H]2C)NC1=O
InChI: InChI=1S/C19H30N4O6/c1-4-9-20-16(26)13(3)21-14(24)11-29-15(25)10-23-17(27)19(22-18(23)28)8-6-5-7-12(19)2/h12-13H,4-11H2,1-3H3,(H,20,26)(H,21,24)(H,22,28)/t12-,13-,19+/m0/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5)OCC6=CC=CC=C6)O)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C42H35Cl2F3N4O6/c1-2-16-50-37(53)29-15-14-27-30(34(29)39(50)55)19-31-38(54)51(49-36-32(44)17-24(20-48-36)42(45,46)47)40(56)41(31,23-8-10-25(43)11-9-23)35(27)28-13-12-26(18-33(28)52)57-21-22-6-4-3-5-7-22/h3-14,17-18,20,29-31,34-35,52H,2,15-16,19,21H2,1H3,(H,48,49)/t29-,30+,31-,34-,35+,41+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)C)C(=O)N(C4=O)C6=CC=C(C=C6)I
InChI: InChI=1S/C30H24INO5/c1-14-11-16(3-10-23(14)33)25-19-8-9-20-26(21(19)13-22-27(25)24(34)12-15(2)28(22)35)30(37)32(29(20)36)18-6-4-17(31)5-7-18/h3-8,10-12,20-21,25-26,33H,9,13H2,1-2H3/t20-,21+,25-,26-/m0/s1
SMILES: C1CN(C[C@@H]([C@]1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H25NO2/c27-24(21-12-6-2-7-13-21)23-19-26(18-20-10-4-1-5-11-20)17-16-25(23,28)22-14-8-3-9-15-22/h1-15,23,28H,16-19H2/t23-,25+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=CC(=CC=C4)Br
InChI: InChI=1S/C19H16BrNO2/c20-13-4-1-3-11(9-13)18-15-6-2-5-14(15)16-10-12(19(22)23)7-8-17(16)21-18/h1-5,7-10,14-15,18,21H,6H2,(H,22,23)/p-1/t14-,15-,18+/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N[C@@H](CC=C)/C=C/C2=CC=CC=C2)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C38H57NO9/c1-14-18-25(22-21-24-19-16-15-17-20-24)39-30-29(48-34(43)38(11,12)13)28(47-33(42)37(8,9)10)27(46-32(41)36(5,6)7)26(45-30)23-44-31(40)35(2,3)4/h14-17,19-22,25-30,39H,1,18,23H2,2-13H3/b22-21+/t25-,26+,27-,28-,29+,30+/m0/s1
SMILES: C[C@H]1CCN(C1)[C@@H](C)COC2=CC=C(C=C2)[C@H]3[C@H]([C@@H](C4=C(O3)C=CC(=C4F)O)C)C5=CC=C(C=C5)O
InChI: InChI=1S/C30H34FNO4/c1-18-14-15-32(16-18)19(2)17-35-24-10-6-22(7-11-24)30-27(21-4-8-23(33)9-5-21)20(3)28-26(36-30)13-12-25(34)29(28)31/h4-13,18-20,27,30,33-34H,14-17H2,1-3H3/t18-,19-,20-,27+,30-/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)C4=NC=CN=C4)C(=O)N[C@@H](CC5CCC5)C(=O)C(=O)NCC=C)C
InChI: InChI=1S/C38H55N7O6/c1-7-16-41-35(50)30(46)25(19-22-12-11-13-22)42-34(49)29-27-24(38(27,5)6)21-45(29)36(51)31(37(2,3)4)44-33(48)28(23-14-9-8-10-15-23)43-32(47)26-20-39-17-18-40-26/h7,17-18,20,22-25,27-29,31H,1,8-16,19,21H2,2-6H3,(H,41,50)(H,42,49)(H,43,47)(H,44,48)/t24-,25-,27-,28-,29-,31+/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C
InChI: InChI=1S/C21H24N2O5/c1-12-7-6-10-17(13(12)2)22-18(24)11-28-21(27)14(3)23-19(25)15-8-4-5-9-16(15)20(23)26/h4-7,10,14-16H,8-9,11H2,1-3H3,(H,22,24)/t14-,15+,16+/m0/s1
SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O)C)C)C)O)C
InChI: InChI=1S/C21H36O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-19,23-24H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+/m1/s1
SMILES: CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)C(F)(F)F)OS(=O)(=O)O3)C
InChI: InChI=1S/C10H13F3O10S2/c1-8(2)20-7-6-5(21-25(16,17)22-6)3-18-9(7,23-8)4-19-24(14,15)10(11,12)13/h5-7H,3-4H2,1-2H3/t5-,6-,7+,9+/m1/s1
SMILES: CC(=O)[C@@H]1C/C(=C/SC2=CC=CC=C2)/CCCN3[C@@H]([C@@H]1O)[C@H](C3=O)OC4=CC=CC=C4
InChI: InChI=1S/C25H27NO4S/c1-17(27)21-15-18(16-31-20-12-6-3-7-13-20)9-8-14-26-22(23(21)28)24(25(26)29)30-19-10-4-2-5-11-19/h2-7,10-13,16,21-24,28H,8-9,14-15H2,1H3/b18-16+/t21-,22-,23+,24+/m0/s1
SMILES: CC[N+]1(CC[C@@H]2CC[C@H](C[C@H]2C1)OC(=O)C3=CC=C(C=C3)OC)C.[Br-]
InChI: InChI=1S/C20H30NO3.BrH/c1-4-21(2)12-11-15-5-10-19(13-17(15)14-21)24-20(22)16-6-8-18(23-3)9-7-16;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H/q+1;/p-1/t15-,17-,19+,21?;/m0./s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F
InChI: InChI=1S/C21H27FN4O3/c1-15-4-2-3-5-18(15)26-20(28)19(27)25(21(26)29)14-23-10-12-24(13-11-23)17-8-6-16(22)7-9-17/h6-9,15,18H,2-5,10-14H2,1H3/p+1/t15-,18-/m0/s1
SMILES: CC[C@H]([P@]1(=O)N([C@@H]2[C@H]3CC[C@@]([C@@H]2O1)(C3(C)C)C)C(C)C)Cl
InChI: InChI=1S/C16H29ClNO2P/c1-7-12(17)21(19)18(10(2)3)13-11-8-9-16(6,14(13)20-21)15(11,4)5/h10-14H,7-9H2,1-6H3/t11-,12+,13-,14-,16+,21-/m1/s1
SMILES: C/C(=C\N[C@]1([C@@H]2N(C1=O)C(=C(CS2)CSC3=NN=NN3C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)OC)/S(=O)(=O)C6=CC=CC=C6
InChI: InChI=1S/C33H32N6O6S3/c1-22(48(42,43)26-17-11-6-12-18-26)19-34-33(44-3)30(41)39-27(25(20-46-31(33)39)21-47-32-35-36-37-38(32)2)29(40)45-28(23-13-7-4-8-14-23)24-15-9-5-10-16-24/h4-19,28,31,34H,20-21H2,1-3H3/b22-19+/t31-,33+/m1/s1
SMILES: CC[Si](CC)(C(C)C)O[C@@H](CC=O)[C@@H](C)[C@@H]1C(=C)[C@@H]([C@H]([C@@](O1)([C@@H](C)COCC2=CC=CC=C2)OC)C)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C37H54O7Si/c1-10-45(11-2,26(3)4)44-33(22-23-38)28(6)34-29(7)35(42-36(39)32-20-16-13-17-21-32)30(8)37(40-9,43-34)27(5)24-41-25-31-18-14-12-15-19-31/h12-21,23,26-28,30,33-35H,7,10-11,22,24-25H2,1-6,8-9H3/t27-,28+,30+,33-,34+,35-,37-/m0/s1
SMILES: CCN1C2=CC=CC=C2C(=C1O)N=NC(=O)[C@H]3C[C@H]3C4=CC=C(C=C4)C(C)(C)C
InChI: InChI=1S/C24H27N3O2/c1-5-27-20-9-7-6-8-17(20)21(23(27)29)25-26-22(28)19-14-18(19)15-10-12-16(13-11-15)24(2,3)4/h6-13,18-19,29H,5,14H2,1-4H3/t18-,19-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CCC3(C(C2)CCC4C3CCC5(C4(CC=C5C6=CC(=O)OC6)O)C)C)OC)OC)O
InChI: InChI=1S/C31H46O8/c1-17-25(33)26(35-4)27(36-5)28(38-17)39-20-8-11-29(2)19(15-20)6-7-23-22(29)9-12-30(3)21(10-13-31(23,30)34)18-14-24(32)37-16-18/h10,14,17,19-20,22-23,25-28,33-34H,6-9,11-13,15-16H2,1-5H3/t17-,19?,20+,22?,23?,25+,26+,27-,28+,29?,30?,31?/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@](N(C(=O)O2)CCC3=CCCCC3)(C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C25H29NO5/c1-29-21-12-8-19(9-13-21)23-25(28,20-10-14-22(30-2)15-11-20)26(24(27)31-23)17-16-18-6-4-3-5-7-18/h6,8-15,23,28H,3-5,7,16-17H2,1-2H3/t23-,25-/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=N)N2C3=C(C=CC=C3Cl)Cl
InChI: InChI=1S/C11H10Cl2N2O2S2/c12-6-2-1-3-7(13)10(6)15-8-4-19(16,17)5-9(8)18-11(15)14/h1-3,8-9,14H,4-5H2/t8-,9+/m1/s1
SMILES: CCCCCCCCCCCCNC(CC(=O)OCC)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC
InChI: InChI=1S/C25H47NO6/c1-6-8-9-10-11-12-13-14-15-16-17-26-19(18-20(27)29-7-2)21-22(28-5)23-24(30-21)32-25(3,4)31-23/h19,21-24,26H,6-18H2,1-5H3/t19?,21-,22+,23-,24-/m1/s1
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=C(C=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI: InChI=1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m1/s1
SMILES: CN1CCC(CC1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C15H20N2O4/c1-16-6-3-9(4-7-16)17-8-15-5-2-10(21-15)11(14(19)20)12(15)13(17)18/h2,5,9-12H,3-4,6-8H2,1H3,(H,19,20)/t10-,11+,12-,15-/m1/s1
SMILES: CC(=O)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5=C)NC)C)C)O
InChI: InChI=1S/C24H37NO2/c1-14-16-6-7-19-22(4)12-18(27)20(15(2)26)21(22,3)10-11-24(19)13-23(16,24)9-8-17(14)25-5/h16-20,25,27H,1,6-13H2,2-5H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)OCC2=CC=CC=C2)C(=C)C3=CC(=C(C=C3)C)C)CC(=O)OC
InChI: InChI=1S/C28H33NO6/c1-6-34-27(31)26-23(15-25(30)33-5)24(20(4)22-13-12-18(2)19(3)14-22)16-29(26)28(32)35-17-21-10-8-7-9-11-21/h7-14,23-24,26H,4,6,15-17H2,1-3,5H3/t23-,24+,26-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)OCCC5=CC=C(C=C5)O
InChI: InChI=1S/C30H40O16/c1-12-17(34)8-15-16(27(40)41-7-6-13-2-4-14(33)5-3-13)11-42-28(20(12)15)46-30-25(39)26(22(36)19(10-32)44-30)45-29-24(38)23(37)21(35)18(9-31)43-29/h2-5,11-12,15,18-26,28-33,35-39H,6-10H2,1H3/t12-,15+,18+,19+,20+,21+,22+,23-,24+,25+,26-,28-,29-,30-/m0/s1
SMILES: CC(=O)CC[C@@H]1[C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C
InChI: InChI=1S/C12H20O5/c1-7(13)5-6-8-9-10(11(14-4)15-8)17-12(2,3)16-9/h8-11H,5-6H2,1-4H3/t8-,9-,10-,11-/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)[N+](=O)[O-])O
InChI: InChI=1S/C30H29N3O9/c1-39-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(40-2)15-11-21)41-18-26-25(34)16-27(42-26)32-17-24(33(37)38)28(35)31-29(32)36/h3-15,17,25-27,34H,16,18H2,1-2H3,(H,31,35,36)/t25-,26+,27+/m0/s1
SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OC3=CC=CC(=C3)C(=N)N)OC4=CC=CC(=C4)C(=N)N
InChI: InChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
SMILES: C#CC1=CC2=CC(=NC=C2C=C1)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4
InChI: InChI=1S/C18H17N3O/c1-2-11-3-4-12-10-19-17(8-13(12)7-11)18(22)21-16-9-14-5-6-15(16)20-14/h1,3-4,7-8,10,14-16,20H,5-6,9H2,(H,21,22)/t14-,15+,16-/m1/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl
InChI: InChI=1S/C16H13ClF3NO2/c17-10-4-3-9(16(18,19)20)6-11(10)21-14(22)12-7-1-2-8(5-7)13(12)15(21)23/h3-4,6-8,12-13H,1-2,5H2/t7-,8-,12-,13-/m0/s1
SMILES: C[C@H](CSC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4([C@@](C[C@@H](C6)O)(C)O)C)N7N5C(=O)N(C7=O)C8=CC=CC=C8)C
InChI: InChI=1S/C37H45N3O4S/c1-24(23-45-27-13-9-6-10-14-27)28-15-16-29-33(28,2)18-17-30-35(4)34(3,44)21-26(41)22-36(35)19-20-37(29,30)40-32(43)38(31(42)39(36)40)25-11-7-5-8-12-25/h5-14,19-20,24,26,28-30,41,44H,15-18,21-23H2,1-4H3/t24-,26+,28-,29-,30-,33-,34+,35+,36-,37+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=C(C4=C(N=CN=C43)NC5CCCCC5)C6=CC=CC=C6)OC(O2)(C)C
InChI: InChI=1S/C26H32N4O3/c1-16-21-22(33-26(2,3)32-21)25(31-16)30-14-19(17-10-6-4-7-11-17)20-23(27-15-28-24(20)30)29-18-12-8-5-9-13-18/h4,6-7,10-11,14-16,18,21-22,25H,5,8-9,12-13H2,1-3H3,(H,27,28,29)/t16-,21-,22-,25-/m1/s1
SMILES: C[Si](C)(C)O[C@H]([C@@H]1[C@H]2CC[C@H]2C(=O)O1)[C@@H]([C@@H]3[C@H]4CC[C@H]4C(=O)O3)O[Si](C)(C)C
InChI: InChI=1S/C20H34O6Si2/c1-27(2,3)25-17(15-11-7-9-13(11)19(21)23-15)18(26-28(4,5)6)16-12-8-10-14(12)20(22)24-16/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17+,18+/m0/s1
SMILES: C/C=C(/C)\[C@@H]([C@H](C)/C=C(/C)\C=C/C/C(=C/CC1=C(C(=C(C(=N1)OC)OC)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)/C)O
InChI: InChI=1S/C31H47NO8/c1-10-19(4)24(33)20(5)16-18(3)13-11-12-17(2)14-15-23-21(6)28(29(37-8)30(32-23)38-9)40-31-27(36)26(35)25(34)22(7)39-31/h10-11,13-14,16,20,22,24-27,31,33-36H,12,15H2,1-9H3/b13-11-,17-14+,18-16-,19-10-/t20-,22+,24+,25+,26-,27-,31-/m1/s1
SMILES: C[C@@]1(CC[C@@H](C[C@@H]1CNCC2=CC=CO2)O)C3CC[C@@]4(C([C@H]3CO)CCC4=C)C
InChI: InChI=1S/C25H39NO3/c1-17-6-7-22-21(16-27)23(9-11-24(17,22)2)25(3)10-8-19(28)13-18(25)14-26-15-20-5-4-12-29-20/h4-5,12,18-19,21-23,26-28H,1,6-11,13-16H2,2-3H3/t18-,19+,21-,22?,23?,24+,25+/m1/s1
SMILES: CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)F)O
InChI: InChI=1S/C34H54F2N5O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-37-31-23(35)19-40(33(45)38-31)29-17-25(43)28(51-29)22-49-53(47,48)52-26-18-30(50-27(26)21-42)41-20-24(36)32(44)39-34(41)46/h19-20,25-30,42-43H,2-18,21-22H2,1H3,(H,47,48)(H,37,38,45)(H,39,44,46)/t25-,26?,27+,28+,29+,30+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C22H28N2O3S/c1-16-8-14-20(15-9-16)28(26,27)24(3)19-12-10-18(11-13-19)22(25)23-21-7-5-4-6-17(21)2/h8-15,17,21H,4-7H2,1-3H3,(H,23,25)/t17-,21+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCN[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)NC(=O)OCC4=CC=CC=C4)C=O
InChI: InChI=1S/C29H42N6O5/c30-28(34-29(39)40-19-20-8-2-1-3-9-20)32-15-6-11-22(18-36)33-26(37)24-13-7-17-35(24)27(38)25-23-12-5-4-10-21(23)14-16-31-25/h1-3,8-9,18,21-25,31H,4-7,10-17,19H2,(H,33,37)(H3,30,32,34,39)/t21-,22-,23-,24-,25+/m0/s1
SMILES: CCCCCCCC1/C=C\C(=C/[C@@H]2[C@H]3C[C@H](CC3=C[C@]1(C2=O)O)O)\C
InChI: InChI=1S/C22H32O3/c1-3-4-5-6-7-8-17-10-9-15(2)11-20-19-13-18(23)12-16(19)14-22(17,25)21(20)24/h9-11,14,17-20,23,25H,3-8,12-13H2,1-2H3/b10-9-,15-11-/t17?,18-,19-,20+,22-/m0/s1
SMILES: C1[C@H]([C@H]2CO[C@H](C1=O)O2)N3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5
InChI: InChI=1S/C18H15N3O4S/c22-13-9-12(15-10-24-17(13)25-15)21-18(26)20(11-5-2-1-3-6-11)16(19-21)14-7-4-8-23-14/h1-8,12,15,17H,9-10H2/t12-,15-,17+/m1/s1
SMILES: C1CCN(CC1)C2=CC(=C(C=C2)O)C(=O)C3=CC=C(C=C3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)C5=CC=NC=C5
InChI: InChI=1S/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/m1/s1
SMILES: C[C@]12CC[C@@H](O[C@@H]1CC[C@@H](O2)[C@](C)(CC[C@H]([C@@]3(CC[C@@H](O3)C(C)(C)O)C)O)O)[C@@]4(CC[C@H](C(O4)(C)C)Br)C
InChI: InChI=1S/C30H53BrO7/c1-25(2,33)21-13-17-28(6,36-21)20(32)12-15-27(5,34)22-9-10-23-29(7,37-22)18-14-24(35-23)30(8)16-11-19(31)26(3,4)38-30/h19-24,32-34H,9-18H2,1-8H3/t19-,20-,21-,22-,23-,24-,27+,28+,29+,30+/m1/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=NC=CN=C3)C(=O)NC4=C(C2=O)C=C(C=C4)Br
InChI: InChI=1S/C17H14BrN5O3/c18-9-1-2-11-10(7-9)17(26)23-6-3-12(14(23)16(25)21-11)22-15(24)13-8-19-4-5-20-13/h1-2,4-5,7-8,12,14H,3,6H2,(H,21,25)(H,22,24)/t12-,14-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H](C(=O)COC(=O)C)OC(=O)C)(C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)OC)OC(=O)C
InChI: InChI=1S/C31H35NO12/c1-18(33)32-26-25(41-20(3)35)16-31(39-5,44-29(26)28(42-21(4)36)24(37)17-40-19(2)34)30(38)43-27(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,25-29H,16-17H2,1-5H3,(H,32,33)/t25-,26+,28+,29+,31-/m0/s1
SMILES: C[C@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C)C(C)C
InChI: InChI=1S/C21H31NO6S/c1-14(2)18-10-7-16(4)11-19(18)28-21(24)13-27-20(23)12-22-29(25,26)17-8-5-15(3)6-9-17/h5-6,8-9,14,16,18-19,22H,7,10-13H2,1-4H3/t16-,18-,19-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3
InChI: InChI=1S/C23H26N4O3/c1-16-6-2-3-7-19(16)24-22(28)15-30-23(29)18-12-10-17(11-13-18)14-27-21-9-5-4-8-20(21)25-26-27/h4-5,8-13,16,19H,2-3,6-7,14-15H2,1H3,(H,24,28)/t16-,19+/m0/s1
SMILES: CC1=C(C2([C@@H]3[C@H](C1[C@H]4[C@@H]2C(=O)N(C4=O)CC5=CC=CC=C5)C(=O)N(C3=O)CC6=CC=CC=C6)C)C(=O)OC7=CC=CC=C7
InChI: InChI=1S/C35H30N2O6/c1-20-24-25-28(32(40)36(30(25)38)18-21-12-6-3-7-13-21)35(2,27(20)34(42)43-23-16-10-5-11-17-23)29-26(24)31(39)37(33(29)41)19-22-14-8-4-9-15-22/h3-17,24-26,28-29H,18-19H2,1-2H3/t24?,25-,26-,28+,29+,35?/m0/s1
SMILES: C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
SMILES: COC(=O)/C=C(\C(=O)OC)/N1[C@H]([C@@]1(CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H25NO4/c1-31-24(29)18-23(26(30)32-2)28-25(21-14-8-4-9-15-21)27(28,22-16-10-5-11-17-22)19-20-12-6-3-7-13-20/h3-18,25H,19H2,1-2H3/b23-18+/t25-,27+,28?/m0/s1
SMILES: C1CCC2(CC1)N[C@H]([C@@H](O2)C3=CC=C(C=C3)[N+](=O)[O-])CO
InChI: InChI=1S/C15H20N2O4/c18-10-13-14(11-4-6-12(7-5-11)17(19)20)21-15(16-13)8-2-1-3-9-15/h4-7,13-14,16,18H,1-3,8-10H2/t13-,14-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C
InChI: InChI=1S/C18H26N2O2/c1-13-8-6-7-11-16(13)20-18(22)12-17(19-14(2)21)15-9-4-3-5-10-15/h3-5,9-10,13,16-17H,6-8,11-12H2,1-2H3,(H,19,21)(H,20,22)/t13-,16+,17+/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(O7)CO)C8=CC=CC=C8)C9=CC(=CC=C9)Cl)OC)OC
InChI: InChI=1S/C42H37ClN6O9/c1-45-32-21-35(57-3)34(56-2)20-30(32)44-29(38(45)52)15-16-46-40(54)47-17-14-27-31(49(47)41(46)55)19-28-37(51)48(25-11-7-10-24(43)18-25)39(53)42(28,23-8-5-4-6-9-23)36(27)33-13-12-26(22-50)58-33/h4-14,18,20-21,28,31,36,50H,15-17,19,22H2,1-3H3/t28-,31+,36+,42+/m0/s1
SMILES: CC[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C(=O)C[C@H](C3=CC=CC=C3)O)O
InChI: InChI=1S/C20H28O3/c1-4-19-11-10-15(18(19,2)3)13-20(19,23)17(22)12-16(21)14-8-6-5-7-9-14/h5-9,15-16,21,23H,4,10-13H2,1-3H3/t15-,16-,19-,20+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)[C@@H](CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C25H26N2O3/c28-23(26-15-17-9-5-2-6-10-17)20(13-16-7-3-1-4-8-16)27-24(29)21-18-11-12-19(14-18)22(21)25(27)30/h1-10,18-22H,11-15H2,(H,26,28)/t18-,19+,20-,21+,22-/m0/s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)C5=CSC(=N5)C(C)C)C)O)F)C)F
InChI: InChI=1S/C30H34F2N2O6S/c1-15(2)24-34-22(14-41-24)25(37)40-30(26(38)39-9-8-33)16(3)10-18-19-12-21(31)20-11-17(35)6-7-27(20,4)29(19,32)23(36)13-28(18,30)5/h6-7,11,14-16,18-19,21,23,36H,9-10,12-13H2,1-5H3/t16-,18?,19?,21+,23+,27+,28+,29+,30+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)NC4=CC=C(C=C4)SC(F)(F)F)N(C1=O)C(=O)C5CC5
InChI: InChI=1S/C24H27F3N4O4S/c1-13-19-17(31(20(13)32)21(33)14-4-5-14)10-12-30(19)22(34)18-3-2-11-29(18)23(35)28-15-6-8-16(9-7-15)36-24(25,26)27/h6-9,13-14,17-19H,2-5,10-12H2,1H3,(H,28,35)/t13-,17-,18-,19+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@@](O[C@H]1N2C=NC3=C2N=CN=C3Cl)(C)C(=O)NC)OC(=O)C
InChI: InChI=1S/C16H18ClN5O6/c1-7(23)26-10-11(27-8(2)24)16(3,15(25)18-4)28-14(10)22-6-21-9-12(17)19-5-20-13(9)22/h5-6,10-11,14H,1-4H3,(H,18,25)/t10-,11+,14-,16+/m1/s1
SMILES: CC[C@H]1[C@H]2[C@H]3C(=CC1CCCC(=O)NCC(=O)NCCO)C(=O)C=C[C@]3(OC4=C2C=C(C=C4)C(=O)NCC5=CC(=CC=C5)Br)OC
InChI: InChI=1S/C35H40BrN3O7/c1-3-25-22(7-5-9-30(42)38-20-31(43)37-14-15-40)17-26-28(41)12-13-35(45-2)33(26)32(25)27-18-23(10-11-29(27)46-35)34(44)39-19-21-6-4-8-24(36)16-21/h4,6,8,10-13,16-18,22,25,32-33,40H,3,5,7,9,14-15,19-20H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)/t22?,25-,32-,33-,35-/m1/s1
SMILES: C1=CC=C(C=C1)OC[C@@H]2[C@@H]([C@H]([C@H](N(S(=O)(=O)N2CC3=CC=C(C=C3)CCO)CC4=CC=C(C=C4)CCO)COC5=CC=CC=C5)O)O
InChI: InChI=1S/C36H42N2O8S/c39-21-19-27-11-15-29(16-12-27)23-37-33(25-45-31-7-3-1-4-8-31)35(41)36(42)34(26-46-32-9-5-2-6-10-32)38(47(37,43)44)24-30-17-13-28(14-18-30)20-22-40/h1-18,33-36,39-42H,19-26H2/t33-,34-,35+,36+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2[C@H]([C@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H21NO2/c1-17(18-11-5-2-6-12-18)24-21(19-13-7-3-8-14-19)22(26-23(24)25)20-15-9-4-10-16-20/h2-17,21-22H,1H3/t17-,21-,22+/m0/s1
SMILES: CN(CC1=CC=CC=C1)[C@@H]2CCC3=C([C@H]2O)C=CC(=C3OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H33NO3/c1-33(21-24-11-5-2-6-12-24)29-19-17-28-27(31(29)34)18-20-30(35-22-25-13-7-3-8-14-25)32(28)36-23-26-15-9-4-10-16-26/h2-16,18,20,29,31,34H,17,19,21-23H2,1H3/t29-,31-/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)O
InChI: InChI=1S/C16H19NO3/c1-20-12-6-4-11(5-7-12)17-15(18)13-9-2-3-10(8-9)14(13)16(17)19/h4-7,9-10,13-15,18H,2-3,8H2,1H3/t9-,10+,13-,14+,15-/m1/s1
SMILES: CC(/C=C/[C@@]1([C@](CCCC1(C)C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C19H34O8/c1-11(21)6-9-19(25)17(2,3)7-5-8-18(19,4)27-16-15(24)14(23)13(22)12(10-20)26-16/h6,9,11-16,20-25H,5,7-8,10H2,1-4H3/b9-6+/t11?,12-,13-,14+,15-,16+,18-,19-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)P(=O)(OC)Cl)C)C
InChI: InChI=1S/C29H48ClO4P/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(31)35(30,32)33-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28+,29-,35?/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O
InChI: InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
SMILES: CCCCOC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C20H23NO4/c1-2-3-9-25-20(24)14-5-4-6-15(11-14)21-18(22)16-12-7-8-13(10-12)17(16)19(21)23/h4-6,11-13,16-17H,2-3,7-10H2,1H3/t12-,13+,16-,17-/m0/s1
SMILES: CC(CNCC(C1=CC=CC=C1)C2=CC=CC=C2)NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C
InChI: InChI=1S/C27H38N2/c1-20(29-18-23-14-15-24-16-26(23)27(24,2)3)17-28-19-25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,23-26,28-29H,14-19H2,1-3H3/t20?,23-,24-,26-/m0/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CCC4=CC=C(C=C4)O)O)C
InChI: InChI=1S/C23H31NO4/c1-14-4-3-5-16-12-19-20(21(26)23(14,16)2)18(22(27)28-19)13-24-11-10-15-6-8-17(25)9-7-15/h5-9,14,18-21,24-26H,3-4,10-13H2,1-2H3/p+1/t14-,18-,19+,20+,21-,23+/m0/s1