EdisonScientific/glyph-datasets huggingface dataset:
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)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)C)C
InChI: InChI=1S/C61H80O6/c1-43(2)19-18-20-44(3)52-31-32-53-51-30-29-49-37-50(33-35-60(49,4)54(51)34-36-61(52,53)5)66-59-58(65-41-48-27-16-9-17-28-48)57(64-40-47-25-14-8-15-26-47)56(63-39-46-23-12-7-13-24-46)55(67-59)42-62-38-45-21-10-6-11-22-45/h6-17,21-29,43-44,50-59H,18-20,30-42H2,1-5H3/t44-,50+,51+,52-,53+,54+,55-,56-,57+,58+,59-,60+,61-/m1/s1
SMILES: C[N+]12CCCC[C@@H]1[C@H](CCC2)COC(=O)C3=CC4=CC=CC=C4OC3=O
InChI: InChI=1S/C21H26NO4/c1-22-11-5-4-9-18(22)16(8-6-12-22)14-25-20(23)17-13-15-7-2-3-10-19(15)26-21(17)24/h2-3,7,10,13,16,18H,4-6,8-9,11-12,14H2,1H3/q+1/t16-,18-,22?/m1/s1
SMILES: CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C
InChI: InChI=1S/C24H24N2O3S/c1-15-7-10-19(13-16(15)2)30-18-11-8-17(9-12-18)25-22(27)14-26-23(28)20-5-3-4-6-21(20)24(26)29/h3-4,7-13,20-21H,5-6,14H2,1-2H3,(H,25,27)/t20-,21-/m0/s1
SMILES: C1COCCN1C(=O)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@H]3C=CC4)C5=CC=CC=C5
InChI: InChI=1S/C23H24N2O2/c26-23(25-11-13-27-14-12-25)17-9-10-21-20(15-17)18-7-4-8-19(18)22(24-21)16-5-2-1-3-6-16/h1-7,9-10,15,18-19,22,24H,8,11-14H2/t18-,19-,22+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)NNC(=O)C3=CC=CC=C3N4C=CC=C4
InChI: InChI=1S/C20H23N3O2/c24-19(13-16-12-14-7-8-15(16)11-14)21-22-20(25)17-5-1-2-6-18(17)23-9-3-4-10-23/h1-6,9-10,14-16H,7-8,11-13H2,(H,21,24)(H,22,25)/t14-,15+,16+/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)N)C(=O)N(C4=O)C5=CC=C(C=C5)OC(=O)C)Cl
InChI: InChI=1S/C25H23ClN4O6/c1-11-16(26)8-7-15-21(11)28-24(35)25(15)20-19(17(29-25)9-10-18(27)32)22(33)30(23(20)34)13-3-5-14(6-4-13)36-12(2)31/h3-8,17,19-20,29H,9-10H2,1-2H3,(H2,27,32)(H,28,35)/t17-,19-,20+,25-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C33H34N2O6S2/c1-22-31(21-42-29-18-16-27(17-19-29)34-23(2)37)40-33(41-32(22)25-10-8-24(20-36)9-11-25)26-12-14-28(15-13-26)35-43(38,39)30-6-4-3-5-7-30/h3-19,22,31-33,35-36H,20-21H2,1-2H3,(H,34,37)/t22-,31+,32+,33+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C=C([C@]([C@H]1O[Si](C)(C)C(C)(C)C)(CC#C)OCOC)C#C
InChI: InChI=1S/C24H42O4Si2/c1-14-16-24(26-18-25-9)19(15-2)17-20(27-29(10,11)22(3,4)5)21(24)28-30(12,13)23(6,7)8/h1-2,17,20-21H,16,18H2,3-13H3/t20-,21+,24+/m1/s1
SMILES: CC1=CC=CC=C1O[C@H]2[C@@H](N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C24H18F3NO4/c1-14-5-2-3-8-18(14)32-22-21(15-9-10-19-20(11-15)31-13-30-19)28(23(22)29)17-7-4-6-16(12-17)24(25,26)27/h2-12,21-22H,13H2,1H3/t21-,22-/m0/s1
SMILES: COCCOCO[C@@H]1[C@@H](N(C(=O)N([C@H]([C@H]1OCOCCOC)CC2=CC=CC=C2)CC3=CC=C(C=C3)CO)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5
InChI: InChI=1S/C43H54N2O9/c1-49-21-23-51-31-53-41-39(25-33-9-5-3-6-10-33)44(27-35-13-17-37(29-46)18-14-35)43(48)45(28-36-15-19-38(30-47)20-16-36)40(26-34-11-7-4-8-12-34)42(41)54-32-52-24-22-50-2/h3-20,39-42,46-47H,21-32H2,1-2H3/t39-,40-,41+,42+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OCC(=O)N)NC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C16H18N2O7/c17-13(19)6-21-12-5-23-14-9(4-22-15(12)14)18-16(20)8-1-2-10-11(3-8)25-7-24-10/h1-3,9,12,14-15H,4-7H2,(H2,17,19)(H,18,20)/t9-,12+,14+,15+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)Br)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C34H29BrN2O6/c1-34-26(31(40)37(33(34)42)19-6-4-3-5-7-19)17-25-22(29(34)23-13-12-21(43-2)16-27(23)38)14-15-24-28(25)32(41)36(30(24)39)20-10-8-18(35)9-11-20/h3-14,16,24-26,28-29,38H,15,17H2,1-2H3/t24-,25+,26-,28-,29+,34+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O[C@H]2CC[C@@]3([C@H]4CC=C5[C@@H]6CC(CC[C@@]6(CC[C@]5([C@@]4(CCC3C2(C)C)C)C)C(=O)OC)(C)C)C)OC(=O)C)O[C@@H](C(C(=O)OC)(O)O)OCC(=O)OC
InChI: InChI=1S/C49H74O18/c1-26(50)63-34-35(67-42(62-25-33(52)58-10)49(56,57)41(55)61-13)37(64-27(2)51)39(66-36(34)38(53)59-11)65-32-17-18-45(7)30(44(32,5)6)16-19-47(9)31(45)15-14-28-29-24-43(3,4)20-22-48(29,40(54)60-12)23-21-46(28,47)8/h14,29-32,34-37,39,42,56-57H,15-25H2,1-13H3/t29-,30?,31+,32-,34-,35-,36-,37+,39+,42-,45-,46+,47+,48-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23COC(=O)[C@H]2C(=C)[C@@H](C[C@H]3C1)O
InChI: InChI=1S/C19H32O4Si/c1-12-15(20)10-13-9-14(23-24(5,6)18(2,3)4)7-8-19(13)11-22-17(21)16(12)19/h13-16,20H,1,7-11H2,2-6H3/t13-,14+,15-,16-,19-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/1\CO[C@H]2[C@@]1([C@@H]([C@H]3CO[C@@H]2O3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)NOC
InChI: InChI=1S/C26H32NO5Si.3C4H9.Sn/c1-18-16-29-23-24-30-17-21(31-24)22(26(18,23)27-28-5)32-33(25(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;3*1-3-4-2;/h1,6-15,21-24,27H,16-17H2,2-5H3;3*1,3-4H2,2H3;/t21-,22-,23-,24-,26-;;;;/m1..../s1
SMILES: CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[C@@H]4CCCC[C@@H]4C3)C(=O)OCCOC
InChI: InChI=1S/C21H29N3O4S/c1-13-17-19(25)22-16(12-24-8-7-14-5-3-4-6-15(14)11-24)23-20(17)29-18(13)21(26)28-10-9-27-2/h14-15H,3-12H2,1-2H3,(H,22,23,25)/p+1/t14-,15+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)OC4=CC=C(C=C4)N5C=NC=N5)N
InChI: InChI=1S/C15H16N8O3/c16-11-5-24-14-12(6-25-13(11)14)23-15(19-20-21-23)26-10-3-1-9(2-4-10)22-8-17-7-18-22/h1-4,7-8,11-14H,5-6,16H2/t11-,12-,13+,14+/m0/s1
SMILES: CC1=CC[C@@H]([C@@]2([C@@H]1[C@H]3[C@@H]([C@@H](C2)O)C(=C)C(=O)O3)C)O
InChI: InChI=1S/C15H20O4/c1-7-4-5-10(17)15(3)6-9(16)11-8(2)14(18)19-13(11)12(7)15/h4,9-13,16-17H,2,5-6H2,1,3H3/t9-,10+,11-,12+,13-,15-/m1/s1
SMILES: C1C[C@H]2[C@@H]([C@H]([C@@H]1O2)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O
InChI: InChI=1S/C14H14ClNO4/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-4,9-12H,5-6H2,(H,16,17)(H,18,19)/t9-,10+,11+,12+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN(C)C[C@H](C7=CC(=CC=C7)O)O
InChI: InChI=1S/C51H55N3O8S/c1-34-18-24-45(25-19-34)63(59,60)53-46(27-36-10-5-4-6-11-36)50(58)52-30-38-12-7-13-40(26-38)41-14-8-16-43(28-41)51-61-48(32-54(3)31-47(57)42-15-9-17-44(56)29-42)35(2)49(62-51)39-22-20-37(33-55)21-23-39/h4-26,28-29,35,46-49,51,53,55-57H,27,30-33H2,1-3H3,(H,52,58)/t35-,46-,47-,48+,49+,51+/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@@H]4[C@H]([C@H]3C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)CC
InChI: InChI=1S/C25H27IN2O6/c1-4-27-22(30)13-7-6-12-14(19(13)24(27)32)10-15-20(25(33)28(5-2)23(15)31)18(12)11-8-16(26)21(29)17(9-11)34-3/h6,8-9,13-15,18-20,29H,4-5,7,10H2,1-3H3/t13-,14+,15+,18-,19-,20+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC([C@@H]2O)CCCCCCCCCC=C)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C30H46O2/c1-4-5-6-7-8-9-10-11-12-13-23-21-28-27-16-14-22-20-24(32-3)15-17-25(22)26(27)18-19-30(28,2)29(23)31/h4,15,17,20,23,26-29,31H,1,5-14,16,18-19,21H2,2-3H3/t23?,26-,27-,28+,29+,30+/m1/s1
SMILES: C[C@@]1(CCC=C2[C@@H]1CCC3([C@]2(C)CCC4(OCCO4)C)OCCO3)C=O
InChI: InChI=1S/C21H32O5/c1-18(15-22)7-4-5-17-16(18)6-8-21(25-13-14-26-21)19(17,2)9-10-20(3)23-11-12-24-20/h5,15-16H,4,6-14H2,1-3H3/t16-,18+,19+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)O)CC[C@H]4[C@@]3([C@@H]5CN[C@H](C4)O5)C
InChI: InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1
SMILES: C1=CC=[N+](C=C1)[C@@H]2[C@H](C(=C=[N-])C(=O)NC2=O)C3=CC(=CC=C3)OCC(=O)N
InChI: InChI=1S/C19H16N4O4/c20-10-14-16(12-5-4-6-13(9-12)27-11-15(21)24)17(19(26)22-18(14)25)23-7-2-1-3-8-23/h1-9,16-17H,11H2,(H2,21,24)(H,22,25,26)/t16-,17+/m0/s1
SMILES: C[C@@H]1C=C([C@H]2[C@H]([C@@]1(CO[C@@H]2C)COC(=O)NC3=CC=CC=C3)C)C
InChI: InChI=1S/C20H27NO3/c1-13-10-14(2)20(11-23-16(4)18(13)15(20)3)12-24-19(22)21-17-8-6-5-7-9-17/h5-10,14-16,18H,11-12H2,1-4H3,(H,21,22)/t14-,15-,16-,18+,20+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@@]4(C(=O)CN5CCC(CC5)(C6=CC=C(C=C6)C(F)(F)F)O)O)C
InChI: InChI=1S/C33H40F3NO4/c1-29-12-9-24(38)19-23(29)7-8-25-26(29)10-13-30(2)27(25)11-14-32(30,41)28(39)20-37-17-15-31(40,16-18-37)21-3-5-22(6-4-21)33(34,35)36/h3-6,10,19,25,27,40-41H,7-9,11-18,20H2,1-2H3/t25-,27+,29+,30+,32+/m1/s1
SMILES: CCOC(=O)[C@@]1(C[C@@H](O[C@@](C1)(C(=O)OCC)O)[C@H]2[C@@H](O2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C21H28O9/c1-3-27-18(22)20(24)10-15(30-21(25,13-20)19(23)28-4-2)17-16(29-17)12-26-11-14-8-6-5-7-9-14/h5-9,15-17,24-25H,3-4,10-13H2,1-2H3/t15-,16+,17+,20+,21+/m1/s1
SMILES: CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C22H31N3O3/c1-16-7-8-20(28-2)17(13-16)14-23-9-11-24(12-10-23)15-25-21(26)18-5-3-4-6-19(18)22(25)27/h7-8,13,18-19H,3-6,9-12,14-15H2,1-2H3/p+2/t18-,19-/m1/s1
SMILES: COC1=CC=CC(=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5[N+](=O)[O-])OC)OC
InChI: InChI=1S/C26H23N3O8/c1-34-17-11-7-10-16(12-17)27-25(30)22-23(18-13-20(35-2)21(36-3)14-19(18)29(32)33)28(37-24(22)26(27)31)15-8-5-4-6-9-15/h4-14,22-24H,1-3H3/t22-,23+,24-/m0/s1
SMILES: COC1=CC=CC=C1N2[C@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)C4CCCCC4
InChI: InChI=1S/C19H24N2O4S2/c1-25-16-10-6-5-9-14(16)21-15-11-27(23,24)12-17(15)26-19(21)20-18(22)13-7-3-2-4-8-13/h5-6,9-10,13,15,17H,2-4,7-8,11-12H2,1H3/t15-,17-/m0/s1
SMILES: CN1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H16FN5/c1-25-7-6-14-15(8-21)18(24)19(10-22,11-23)17(16(14)9-25)12-2-4-13(20)5-3-12/h2-6,15-17,24H,7,9H2,1H3/t15?,16-,17-/m1/s1
SMILES: C1C[C@@H]2[C@H](N(N=C2C3=CC=CC=C3C1)C(=O)N)C4=CC=CC=C4
InChI: InChI=1S/C19H19N3O/c20-19(23)22-18(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)17(16)21-22/h1-5,7-9,11,16,18H,6,10,12H2,(H2,20,23)/t16-,18+/m0/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H](O1)N2C=CN=C2[N+](=O)[O-])O)O)O
InChI: InChI=1S/C8H11N3O6/c12-4-3-17-7(6(14)5(4)13)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7-/m1/s1
SMILES: C1CCC2(CC1)O[C@H]3[C@@H](C[C@@H]([C@H]([C@@H]3O2)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-]
InChI: InChI=1S/C18H26N12O6/c19-27-23-7-10-12(31)13(32)11(26-30-22)17(33-10)34-14-8(24-28-20)6-9(25-29-21)15-16(14)36-18(35-15)4-2-1-3-5-18/h8-17,31-32H,1-7H2/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@]14CC[C@]2(C(=O)C4)O)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C21H26O3/c1-19-8-7-16-15-5-4-14(24-2)11-13(15)3-6-17(16)20(19)9-10-21(19,23)18(22)12-20/h4-5,11,16-17,23H,3,6-10,12H2,1-2H3/t16-,17-,19+,20+,21-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H](N(O1)CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)SC[C@@H]4CCCN4C(=O)OC(C)(C)C
InChI: InChI=1S/C28H36N2O4S/c1-20-24(26(31)35-19-23-16-11-17-29(23)27(32)33-28(2,3)4)25(22-14-9-6-10-15-22)30(34-20)18-21-12-7-5-8-13-21/h5-10,12-15,20,23-25H,11,16-19H2,1-4H3/t20-,23-,24-,25+/m0/s1
SMILES: CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)CC(=O)N4CCC[C@H]5[C@H]4CCCC5)C
InChI: InChI=1S/C22H26N4O2S/c1-13-10-14(2)24-21-18(13)19-20(29-21)22(28)25(12-23-19)11-17(27)26-9-5-7-15-6-3-4-8-16(15)26/h10,12,15-16H,3-9,11H2,1-2H3/t15-,16+/m0/s1
SMILES: CCCCCCC/C=C/C=C(\C)/C=C/[C@H]1CC(=O)C[C@@H]1OC(=O)C=O
InChI: InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-11-17(2)12-13-18-14-19(23)15-20(18)25-21(24)16-22/h9-13,16,18,20H,3-8,14-15H2,1-2H3/b10-9+,13-12+,17-11+/t18-,20-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OCC2=CC=CC=C2)CO)O)OCC3=CC=CC=C3
InChI: InChI=1S/C22H27NO6/c1-15(25)23-19-21(27-13-16-8-4-2-5-9-16)20(26)18(12-24)29-22(19)28-14-17-10-6-3-7-11-17/h2-11,18-22,24,26H,12-14H2,1H3,(H,23,25)/t18-,19+,20+,21+,22-/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@H]2COO)C=C1C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CN5C=CN=N5)F
InChI: InChI=1S/C19H19FN4O4/c20-18-7-12(24-9-13(28-19(24)25)8-23-4-3-21-22-23)1-2-14(18)11-5-15-16(6-11)17(15)10-27-26/h1-5,7,13,15-17,26H,6,8-10H2/t13-,15-,16+,17+/m0/s1
SMILES: CC(=O)NCCCCCC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H](C[C@H](O3)C4=CC=C(C=C4)CO)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C47H64N4O6/c1-32(53)48-27-11-5-6-16-44(54)49-29-38-13-7-9-14-40(38)34-21-23-37(24-22-34)46-56-39(28-43(57-46)36-19-17-33(31-52)18-20-36)30-51-41-15-10-8-12-35(41)25-26-42(51)45(55)50-47(2,3)4/h7,9,13-14,17-24,35,39,41-43,46,52H,5-6,8,10-12,15-16,25-31H2,1-4H3,(H,48,53)(H,49,54)(H,50,55)/t35-,39-,41-,42-,43+,46+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)C)C
InChI: InChI=1S/C19H27NO3/c1-12-8-9-14(3)16(10-12)19(22)23-11-18(21)20-17-7-5-6-13(2)15(17)4/h8-10,13,15,17H,5-7,11H2,1-4H3,(H,20,21)/t13-,15+,17-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)CN2CCC[C@H](C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC5=C(C=C4)C=CN5
InChI: InChI=1S/C28H35FN4O/c29-24-10-7-20(8-11-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-26(23)32-28(34)31-25-12-9-22-13-14-30-27(22)17-25/h7-14,17,21,23,26,30H,1-6,15-16,18-19H2,(H2,31,32,34)/t21-,23-,26+/m0/s1
SMILES: CC(=O)N[C@H]1C=C[C@](C[C@H]1OC(=O)C)(C(=O)OC)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)NC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H35N4O16P/c1-13(32)28-18-7-9-27(25(37)41-6,11-19(18)43-15(3)34)47-48(39,40)42-12-20-22(44-16(4)35)23(45-17(5)36)24(46-20)31-10-8-21(29-14(2)33)30-26(31)38/h7-10,18-20,22-24H,11-12H2,1-6H3,(H,28,32)(H,39,40)(H,29,30,33,38)/t18-,19+,20+,22+,23+,24+,27-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCC3=CC=CC=C3)[C@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H21N3O3/c1-13-17-18(22(24-13)15-9-5-6-10-16(15)23-21(22)28)20(27)25(19(17)26)12-11-14-7-3-2-4-8-14/h2-10,13,17-18,24H,11-12H2,1H3,(H,23,28)/t13-,17+,18-,22+/m0/s1
SMILES: CCCCCCCP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O
InChI: InChI=1S/C14H29O8P/c1-3-4-5-6-7-8-23(18,19)21-9-10-11(15)12(16)13(17)14(20-2)22-10/h10-17H,3-9H2,1-2H3,(H,18,19)/t10-,11-,12+,13-,14+/m1/s1
SMILES: CC(=O)OC[C@H]([C@@H](C1=CC(=C(C=C1)OC(=O)C)OC)O[C@@H]2CO[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC)OC3=CC=CC=C3OC
InChI: InChI=1S/C31H38O14/c1-17(32)39-15-26(44-23-11-9-8-10-22(23)36-5)28(21-12-13-24(41-18(2)33)25(14-21)37-6)45-27-16-40-31(38-7)30(43-20(4)35)29(27)42-19(3)34/h8-14,26-31H,15-16H2,1-7H3/t26-,27-,28-,29+,30-,31-/m1/s1
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl)C
InChI: InChI=1S/C18H26ClN3O3S/c1-13-4-3-5-17(14(13)2)22-8-6-21(7-9-22)10-18(23)20-16-12-26(24,25)11-15(16)19/h3-5,15-16H,6-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)COCC2=CC=CC=C2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OC)O)NC(=O)C)O
InChI: InChI=1S/C32H44N2O11/c1-19(35)33-25-28(38)30(24(43-31(25)40-4)18-42-16-22-13-9-6-10-14-22)45-32-26(34-20(2)36)27(37)29(39-3)23(44-32)17-41-15-21-11-7-5-8-12-21/h5-14,23-32,37-38H,15-18H2,1-4H3,(H,33,35)(H,34,36)/t23-,24-,25-,26-,27-,28-,29+,30+,31+,32-/m1/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3OCC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C23H20BrNO4/c1-14-6-11-17-18(12-14)23(28)25(22(17)27)19-4-2-3-5-21(19)29-13-20(26)15-7-9-16(24)10-8-15/h2-10,17-18H,11-13H2,1H3/t17-,18-/m1/s1
SMILES: CC(C)C1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3C(O2)COP(=O)(O3)O)O
InChI: InChI=1S/C12H18N3O7P/c1-5(2)6-3-15(12(17)14-10(6)13)11-8(16)9-7(21-11)4-20-23(18,19)22-9/h3,5,7-9,11,16H,4H2,1-2H3,(H,18,19)(H2,13,14,17)/t7?,8-,9?,11-/m1/s1
SMILES: C/C=C/C1=CC(=C(C=C1)OCC(=O)OCC(=O)N2CCC[C@@H]3[C@H]2CCCC3)OC
InChI: InChI=1S/C23H31NO5/c1-3-7-17-11-12-20(21(14-17)27-2)28-16-23(26)29-15-22(25)24-13-6-9-18-8-4-5-10-19(18)24/h3,7,11-12,14,18-19H,4-6,8-10,13,15-16H2,1-2H3/b7-3+/t18-,19-/m1/s1
SMILES: C[C@@H]1[C@@H](C([C@@H]([C@@H](C1N)C)NS(=O)(=O)C2=CC=C(C=C2)C)C)NS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C23H33N3O4S2/c1-14-6-10-19(11-7-14)31(27,28)25-22-16(3)21(24)17(4)23(18(22)5)26-32(29,30)20-12-8-15(2)9-13-20/h6-13,16-18,21-23,25-26H,24H2,1-5H3/t16-,17+,18?,21?,22-,23+
SMILES: C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=S)N[C@@H]3CCCC[C@@H]3C
InChI: InChI=1S/C18H27N3OS2/c1-11-7-8-15-13(9-11)10-16(24-15)17(22)20-21-18(23)19-14-6-4-3-5-12(14)2/h10-12,14H,3-9H2,1-2H3,(H,20,22)(H2,19,21,23)/t11-,12-,14+/m0/s1
SMILES: CS(=O)(=O)O[C@@H]1CC2=C3C(=CC(=C2[C@@H]1N=[N+]=[N-])OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O
InChI: InChI=1S/C25H19N3O6S/c1-35(31,32)34-20-11-17-21-18(24(29)15-9-5-6-10-16(15)25(21)30)12-19(22(17)23(20)27-28-26)33-13-14-7-3-2-4-8-14/h2-10,12,20,23H,11,13H2,1H3/t20-,23-/m1/s1
SMILES: C[C@]12C[C@@H]3[C@@]4([C@@H](C4(C)C)C(=O)[C@]1(O3)[C@H](CC[C@@H]2O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)C#N
InChI: InChI=1S/C29H51NO4Si2/c1-24(2,3)35(10,11)32-17-19-14-15-20(34-36(12,13)25(4,5)6)27(9)16-21-28(18-30)22(26(28,7)8)23(31)29(19,27)33-21/h19-22H,14-17H2,1-13H3/t19-,20+,21-,22-,27-,28-,29-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H]([C@]3([C@H]2COC(=O)N)OC)N4)NCCN(C)C
InChI: InChI=1S/C19H27N5O5/c1-9-13(21-5-6-23(2)3)16(26)12-10(8-29-18(20)27)19(28-4)17-11(22-17)7-24(19)14(12)15(9)25/h10-11,17,21-22H,5-8H2,1-4H3,(H2,20,27)/t10-,11+,17+,19-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OC3=CC=C(C=C3)N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C27H26N2O6/c1-2-34-20-11-7-18(8-12-20)28-16-17(15-24(28)30)27(33)35-21-13-9-19(10-14-21)29-25(31)22-5-3-4-6-23(22)26(29)32/h3-4,7-14,17,22-23H,2,5-6,15-16H2,1H3/t17-,22-,23+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)C
InChI: InChI=1S/C17H22N2O2/c1-11-3-6-13(7-4-11)18-10-19-16(20)14-8-5-12(2)9-15(14)17(19)21/h3-4,6-7,12,14-15,18H,5,8-10H2,1-2H3/t12-,14+,15-/m1/s1
SMILES: CCC1=CC=CC=C1[C@@H](C)C[C@]2(C3CC[C@]4([C@@H]5C=CC(=O)OC[C@@]5([C@H]([C@H](C4[C@]3([C@@H](C=C2C)OC(=O)C)C)OC(=O)C)OC(=O)C)C(C)OC(=O)C)C)O
InChI: InChI=1S/C42H56O11/c1-11-30-14-12-13-15-31(30)23(2)21-42(48)24(3)20-34(51-27(6)44)40(10)33(42)18-19-39(9)32-16-17-35(47)49-22-41(32,25(4)50-26(5)43)38(53-29(8)46)36(37(39)40)52-28(7)45/h12-17,20,23,25,32-34,36-38,48H,11,18-19,21-22H2,1-10H3/t23-,25?,32-,33?,34+,36-,37?,38-,39-,40+,41+,42-/m0/s1
SMILES: CC1(O[C@@H]2CN3C[C@@H]4[C@H](C3[C@@H]2O1)OC(O4)(C)C)C
InChI: InChI=1S/C13H21NO4/c1-12(2)15-7-5-14-6-8-11(9(14)10(7)17-12)18-13(3,4)16-8/h7-11H,5-6H2,1-4H3/t7-,8-,10-,11-/m1/s1
SMILES: C=C1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)CCCC(=O)O
InChI: InChI=1S/C13H16N2O6S/c1-6-5-22-12-9(11(19)15(12)10(6)13(20)21)14-7(16)3-2-4-8(17)18/h9-10,12H,1-5H2,(H,14,16)(H,17,18)(H,20,21)/t9-,10?,12-/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NC2=NC(=CS2)C3=CC=CC4=CC=CC=C43)C(=O)[O-]
InChI: InChI=1S/C21H20N2O3S/c24-19(16-9-3-4-10-17(16)20(25)26)23-21-22-18(12-27-21)15-11-5-7-13-6-1-2-8-14(13)15/h1-2,5-8,11-12,16-17H,3-4,9-10H2,(H,25,26)(H,22,23,24)/p-1/t16-,17-/m0/s1
SMILES: C[C@@H]1CCC2=NN([C@]([C@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=CO3
InChI: InChI=1S/C14H15F3N2O3/c1-8-4-5-10-9(7-8)13(21,14(15,16)17)19(18-10)12(20)11-3-2-6-22-11/h2-3,6,8-9,21H,4-5,7H2,1H3/t8-,9+,13+/m1/s1
SMILES: CN1[C@H]([C@H]2[C@@H](O1)CC[P@]2(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C19H22NO3P/c1-20-18(14-8-10-15(22-2)11-9-14)19-17(23-20)12-13-24(19,21)16-6-4-3-5-7-16/h3-11,17-19H,12-13H2,1-2H3/t17-,18-,19+,24-/m0/s1
SMILES: CN1[C@@H]2C[C@@H]([C@H]([C@H]1[C@@H](C2)OC)C(=O)OC)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H23NO5/c1-19-12-9-13(24-17(20)11-7-5-4-6-8-11)15(18(21)23-3)16(19)14(10-12)22-2/h4-8,12-16H,9-10H2,1-3H3/t12-,13+,14-,15-,16-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3SC(F)F
InChI: InChI=1S/C18H20F2N2O3S/c19-18(20)26-14-8-4-3-7-13(14)21-15(23)9-10-22-16(24)11-5-1-2-6-12(11)17(22)25/h3-4,7-8,11-12,18H,1-2,5-6,9-10H2,(H,21,23)/t11-,12+
SMILES: CCCCCCCCCCOP(=O)(O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)C
InChI: InChI=1S/C24H46NO14P/c1-3-4-5-6-7-8-9-10-11-35-40(33,34)39-23-17(25-14(2)28)19(30)22(16(13-27)37-23)38-24-21(32)20(31)18(29)15(12-26)36-24/h15-24,26-27,29-32H,3-13H2,1-2H3,(H,25,28)(H,33,34)/t15-,16-,17+,18+,19-,20+,21-,22-,23-,24+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H](N1)C2=CC=CO2)N[C@@H](CO)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C39H42N2O5/c42-25-33(32-20-11-4-12-21-32)41-37-36(34-22-13-23-43-34)40-24-35(44-26-29-14-5-1-6-15-29)38(45-27-30-16-7-2-8-17-30)39(37)46-28-31-18-9-3-10-19-31/h1-23,33,35-42H,24-28H2/t33-,35+,36+,37+,38-,39-/m0/s1
SMILES: C[C@@]1([C@H](N2C1=NC(=CC2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
InChI: InChI=1S/C25H21N3O2/c1-25(20-10-6-3-7-11-20)23(19-12-14-21(15-13-19)28(29)30)27-17-16-22(26-24(25)27)18-8-4-2-5-9-18/h2-16,23H,17H2,1H3/t23-,25+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)O[C@@H]2[C@H]([C@@H]([C@H]3[C@@H]([C@H]2OCC4=CC=CC=C4)OC(O3)(C)C)O)OCCC5OCC(CO5)(C)C
InChI: InChI=1S/C32H44O8/c1-21(23-14-10-7-11-15-23)38-29-26(34-17-16-24-36-19-31(2,3)20-37-24)25(33)27-30(40-32(4,5)39-27)28(29)35-18-22-12-8-6-9-13-22/h6-15,21,24-30,33H,16-20H2,1-5H3/t21-,25+,26+,27+,28+,29-,30+/m1/s1
SMILES: CC(CCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2CC(=O)C4[C@@]3(CCC(C4)O)C)C
InChI: InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14?,15?,16?,17-,18?,19?,20?,23-,24-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2[C@H]3CCCC[C@]3(NC1=O)OC4=CC=CC=C24
InChI: InChI=1S/C18H21NO4/c1-2-22-17(21)15-14-11-7-3-4-9-13(11)23-18(19-16(15)20)10-6-5-8-12(14)18/h3-4,7,9,12,14-15H,2,5-6,8,10H2,1H3,(H,19,20)/t12-,14-,15-,18+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H33N3O3S/c1-16-7-9-19(10-8-16)28(26,27)24-13-11-23(12-14-24)15-21(25)22-20-6-4-5-17(2)18(20)3/h7-10,17-18,20H,4-6,11-15H2,1-3H3,(H,22,25)/t17-,18+,20+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)I)O)OC)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C29H27IN2O6/c1-29-19(26(35)32(28(29)37)15-7-5-4-6-8-15)13-18-16(9-10-17-22(18)27(36)31(2)25(17)34)23(29)14-11-20(30)24(33)21(12-14)38-3/h4-9,11-12,17-19,22-23,33H,10,13H2,1-3H3/t17-,18+,19-,22-,23-,29+/m0/s1
SMILES: C[C@H](CCC(C)C(C)(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C
InChI: InChI=1S/C31H56O12S3/c1-18(2)29(5,6)20(4)10-9-19(3)22-11-12-23-21-15-26(41-44(32,33)34)25-16-27(42-45(35,36)37)28(43-46(38,39)40)17-31(25,8)24(21)13-14-30(22,23)7/h18-28H,9-17H2,1-8H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)/t19-,20?,21+,22-,23+,24+,25?,26+,27+,28+,30-,31-/m1/s1
SMILES: CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C20H26N4OS2/c1-14-7-2-4-10-16(14)21-19-22-23-20(27-19)26-13-18(25)24-12-6-9-15-8-3-5-11-17(15)24/h2,4,7,10,15,17H,3,5-6,8-9,11-13H2,1H3,(H,21,22)/t15-,17+/m1/s1
SMILES: CCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC)OC)NC(=O)C
InChI: InChI=1S/C14H27NO6/c1-5-6-7-20-14-11(15-9(2)17)13(19-4)12(18-3)10(8-16)21-14/h10-14,16H,5-8H2,1-4H3,(H,15,17)/t10-,11-,12-,13-,14-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@@H]3C=CC4)C5=CC(=CC=C5)OC6CSC6
InChI: InChI=1S/C29H30N2O3S2/c1-18-6-3-7-19(2)28(18)31-36(32,33)23-12-13-27-26(15-23)24-10-5-11-25(24)29(30-27)20-8-4-9-21(14-20)34-22-16-35-17-22/h3-10,12-15,22,24-25,29-31H,11,16-17H2,1-2H3/t24-,25-,29-/m0/s1
SMILES: CC/C(=C\COC1=C(C(=CC(=C1)F)Cl)Cl)/[C@H]2C[C@H](C[C@@H]2O)OC3=CC(=C(C=C3)/C=C(\C)/C(=O)NC4=C(C5=C(C=C4O)OCO5)O)O
InChI: InChI=1S/C33H32Cl2FNO9/c1-3-17(6-7-43-27-10-19(36)9-23(34)29(27)35)22-11-21(13-25(22)39)46-20-5-4-18(24(38)12-20)8-16(2)33(42)37-30-26(40)14-28-32(31(30)41)45-15-44-28/h4-6,8-10,12,14,21-22,25,38-41H,3,7,11,13,15H2,1-2H3,(H,37,42)/b16-8+,17-6+/t21-,22-,25+/m1/s1
SMILES: C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C5(OCCO5)C
InChI: InChI=1S/C26H44O3/c1-22(2)19-10-14-25(5)20(23(19,3)12-11-21(22)27)8-7-17-18(9-13-24(17,25)4)26(6)28-15-16-29-26/h17-21,27H,7-16H2,1-6H3/t17-,18+,19+,20-,21+,23+,24-,25-/m1/s1
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)[C@@H]3[C@@H](CC1)[C@H](C(=O)O3)COC)C
InChI: InChI=1S/C16H24O4/c1-10-5-4-8-16(2)14(20-16)13-11(7-6-10)12(9-18-3)15(17)19-13/h5,11-14H,4,6-9H2,1-3H3/b10-5+/t11-,12+,13-,14-,16-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2CC2)C3=CC4=C(C=C3)OCO4)CCCO
InChI: InChI=1S/C22H29NO6/c1-2-26-22-16(4-3-9-24)17(15-7-8-18-19(10-15)28-13-27-18)11-20(29-22)21(25)23-12-14-5-6-14/h7-8,10-11,14,16-17,22,24H,2-6,9,12-13H2,1H3,(H,23,25)/t16-,17-,22-/m0/s1
SMILES: C[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C16H18N2O5/c1-16(15(22)23-3)11-10(13(20)18(2)14(11)21)12(17-16)8-4-6-9(19)7-5-8/h4-7,10-12,17,19H,1-3H3/p+1/t10-,11+,12-,16-/m0/s1
SMILES: CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1