EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CN(CCC1C2=CC=C(C=C2)F)C3=NC(=C4C(=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)NCC(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C35H37FN6O4/c36-26-13-11-22(12-14-26)23-15-17-41(18-16-23)35-39-32(37-19-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25)29-33(40-35)42(21-38-29)34-31(45)30(44)28(20-43)46-34/h1-14,21,23,27-28,30-31,34,43-45H,15-20H2,(H,37,39,40)/t28-,30-,31-,34-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]2[C@H](NC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H19FN2O/c1-12-10-17-19(18(24)11-12)20(13-6-8-14(21)9-7-13)23-16-5-3-2-4-15(16)22-17/h2-10,12,19-20,22-23H,11H2,1H3/t12-,19+,20+/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)[NH+]=C(N2C(=O)/C=C/C3=CC=C(C=C3)Cl)/C=C/C4=CC=C(C=C4)Cl
InChI: InChI=1S/C24H22Cl2N2O/c25-19-11-5-17(6-12-19)9-15-23-27-21-3-1-2-4-22(21)28(23)24(29)16-10-18-7-13-20(26)14-8-18/h5-16,21-22H,1-4H2/p+1/b15-9+,16-10+/t21-,22+/m0/s1
SMILES: CC(C)CN1C(=O)C(=O)C2=C(O[C@@]3([C@@]21C(C4=CC=CC=C43)(O)O)O)C5=COC=C5
InChI: InChI=1S/C21H19NO7/c1-11(2)9-22-18(24)16(23)15-17(12-7-8-28-10-12)29-21(27)14-6-4-3-5-13(14)20(25,26)19(15,21)22/h3-8,10-11,25-27H,9H2,1-2H3/t19-,21-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@]3(CCCC(C3CC[C@]2(O1)C)(C)C)C
InChI: InChI=1S/C18H30O3/c1-12(19)20-15-11-14-17(4)9-6-8-16(2,3)13(17)7-10-18(14,5)21-15/h13-15H,6-11H2,1-5H3/t13?,14-,15-,17+,18-/m1/s1
SMILES: C1[C@H]([C@H]([C@@H](O1)C2=CC3=C(C=C2)OCO3)CO)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H20O6/c21-8-15-14(5-12-1-3-16-18(6-12)25-10-23-16)9-22-20(15)13-2-4-17-19(7-13)26-11-24-17/h1-4,6-7,14-15,20-21H,5,8-11H2/t14-,15-,20+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CCCOC)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=CC=C7)C)O)C(C)C
InChI: InChI=1S/C44H63NO6/c1-29(2)33-14-13-30(3)25-35(33)51-39(48)45(23-10-24-50-6)28-43(49)20-17-37-41(43,5)19-16-36-40(4)18-15-32(46)26-42(40)21-22-44(36,37)34(27-42)38(47)31-11-8-7-9-12-31/h7-9,11-12,21-22,27,29-30,32-33,35-37,46,49H,10,13-20,23-26,28H2,1-6H3/t30-,32?,33+,35-,36+,37+,40+,41-,42-,43+,44+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C/CCCC(=O)O)CC[C@H](CCC2=CC=CC=C2)O)O
InChI: InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1+/t18-,19+,20+,21-,22+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)OC)C
InChI: InChI=1S/C23H28O2/c1-21(2)19-14-15-22(21,20(24)16-19)23(25-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20,24H,14-16H2,1-3H3/t19-,20-,22-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CCCCN)C
InChI: InChI=1S/C19H33NO4/c1-12-7-8-15-13(2)16(6-4-5-11-20)21-17-19(15)14(12)9-10-18(3,22-17)23-24-19/h12-17H,4-11,20H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
SMILES: C/C=C(\[C@@H]1C[C@H]([C@@]2(CC/C=C(/CCC[C@@H]([C@@H]([C@@H]1O2)O)C)\C)C)O)/C(=O)OC
InChI: InChI=1S/C22H36O5/c1-6-16(21(25)26-5)17-13-18(23)22(4)12-8-10-14(2)9-7-11-15(3)19(24)20(17)27-22/h6,10,15,17-20,23-24H,7-9,11-13H2,1-5H3/b14-10+,16-6+/t15-,17-,18+,19-,20+,22-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H]3CCCN4[C@@H]3CC(=O)N(C4=S)CC5=CC=CC=C5
InChI: InChI=1S/C31H37N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25-,26+/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)O)F)C(=O)N(C4=O)C6CCCCC6)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C33H33FN2O5/c1-33-24(30(39)36(32(33)41)20-10-6-3-7-11-20)17-23-21(28(33)18-12-15-26(37)25(34)16-18)13-14-22-27(23)31(40)35(29(22)38)19-8-4-2-5-9-19/h3,6-7,10-13,15-16,19,22-24,27-28,37H,2,4-5,8-9,14,17H2,1H3/t22-,23+,24-,27-,28-,33+/m0/s1
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@@H]3[C@@H]4C[C@H]([C@H]3C(=O)O)C=C4
InChI: InChI=1S/C20H23NO5S/c1-9-3-6-12-13(7-9)27-18(16(12)20(25)26-2)21-17(22)14-10-4-5-11(8-10)15(14)19(23)24/h4-5,9-11,14-15H,3,6-8H2,1-2H3,(H,21,22)(H,23,24)/t9-,10-,11+,14+,15+/m0/s1
SMILES: CC1=CC2=C(C3=C(C4=C(C=C3[C@@H]([C@H]2OC5COC6C(C5OC(=O)N6C)OC7C(C(C(CO7)O)O)O)O)C(=O)C8=C(C4=O)C=C(C=C8O)OC)O)C(=C1C(=O)NC(C)C(=O)O)O
InChI: InChI=1S/C40H40N2O19/c1-11-5-17-24(30(49)21(11)36(52)41-12(2)38(53)54)23-15(8-16-25(31(23)50)27(46)14-6-13(56-4)7-18(43)22(14)26(16)45)28(47)33(17)59-20-10-57-37-35(34(20)61-40(55)42(37)3)60-39-32(51)29(48)19(44)9-58-39/h5-8,12,19-20,28-29,32-35,37,39,43-44,47-51H,9-10H2,1-4H3,(H,41,52)(H,53,54)/t12?,19?,20?,28-,29?,32?,33-,34?,35?,37?,39?/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3
InChI: InChI=1S/C18H27N3O2S2/c1-14-7-2-3-10-17(14)20-18(24)19-15-8-6-9-16(13-15)25(22,23)21-11-4-5-12-21/h6,8-9,13-14,17H,2-5,7,10-12H2,1H3,(H2,19,20,24)/t14-,17+/m1/s1
SMILES: CC1(CCCCC1)[C@@H](C(=O)N2[C@@H](C[C@H]3[C@@H]2C3)C#N)N
InChI: InChI=1S/C15H23N3O/c1-15(5-3-2-4-6-15)13(17)14(19)18-11(9-16)7-10-8-12(10)18/h10-13H,2-8,17H2,1H3/t10-,11+,12+,13-/m1/s1
SMILES: C/C(=N\C1=NC(=O)N2C=CN(C2=N1)[C@H]3C[C@@H]([C@H](O3)CO)O)/OC
InChI: InChI=1S/C13H17N5O5/c1-7(22-2)14-11-15-12-17(3-4-18(12)13(21)16-11)10-5-8(20)9(6-19)23-10/h3-4,8-10,19-20H,5-6H2,1-2H3/b14-7+/t8-,9+,10+/m0/s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)OC)C
InChI: InChI=1S/C20H24O5/c1-11-4-5-13(8-12(11)2)16(21)10-25-20(23)18-15-7-6-14(9-15)17(18)19(22)24-3/h4-5,8,14-15,17-18H,6-7,9-10H2,1-3H3/t14-,15+,17+,18+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6OC)O)OC)C7=CC=CC=C7)NC8=CC=C(C=C8)C)(O)O
InChI: InChI=1S/C41H38BN3O9/c1-22-12-14-25(15-13-22)43-45-38(48)31-21-30-28(16-17-29-34(30)39(49)44(37(29)47)26-11-7-10-24(18-26)42(51)52)36(35-32(53-2)19-27(46)20-33(35)54-3)41(31,40(45)50)23-8-5-4-6-9-23/h4-16,18-20,29-31,34,36,43,46,51-52H,17,21H2,1-3H3/t29-,30+,31-,34-,36+,41+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](OC([C@@H]2O1)ON3C(=O)C4=CC=CC=C4C3=O)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C22H31NO7Si/c1-21(2,3)31(6,7)26-12-15-16-17(29-22(4,5)28-16)20(27-15)30-23-18(24)13-10-8-9-11-14(13)19(23)25/h8-11,15-17,20H,12H2,1-7H3/t15-,16-,17-,20?/m1/s1
SMILES: CCC(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]45[C@@]3(CC[C@H]4C5)C)C)C(C)C
InChI: InChI=1S/C29H46O/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(30)29-17-21(29)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,18-25H,7,10-17H2,1-6H3/b9-8+/t19-,20?,21+,22+,23-,24+,25+,27-,28-,29+/m1/s1
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21+,22-,23+/m0/s1
SMILES: C[C@@]12C[C@@H]([C@H]3N1C4=C(C2=O)CN(C[C@]4(CC3)C(=O)OC)CC5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C24H28N2O5/c1-23-11-16(21(28)30-2)18-9-10-24(22(29)31-3)14-25(12-15-7-5-4-6-8-15)13-17(20(23)27)19(24)26(18)23/h4-8,16,18H,9-14H2,1-3H3/t16-,18-,23-,24-/m0/s1
SMILES: COCC(=O)OCC(=O)N1[C@H]([C@H]2CCC/C(=C\C3=CC=CC=C3)/C2=N1)C4=CC=CC=C4
InChI: InChI=1S/C25H26N2O4/c1-30-17-23(29)31-16-22(28)27-25(19-11-6-3-7-12-19)21-14-8-13-20(24(21)26-27)15-18-9-4-2-5-10-18/h2-7,9-12,15,21,25H,8,13-14,16-17H2,1H3/b20-15+/t21-,25-/m0/s1
SMILES: COC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)CC4=CC=C(C=C4)F)OC
InChI: InChI=1S/C19H17FN4O4/c1-27-14-8-7-13(9-15(14)28-2)24-18(25)16-17(19(24)26)23(22-21-16)10-11-3-5-12(20)6-4-11/h3-9,16-17H,10H2,1-2H3/t16-,17-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](/C=C(/C(=O)O1)\C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NCCCC4=CC=CC=C4Cl)C
InChI: InChI=1S/C40H62ClN3O9/c1-12-31-40(8)34(44(38(48)53-40)42-19-15-17-28-16-13-14-18-29(28)41)27(6)32(45)25(4)22-39(7,49-11)35(23(2)20-24(3)36(47)51-31)52-37-33(46)30(43(9)10)21-26(5)50-37/h13-14,16,18,20,23,25-27,30-31,33-35,37,42,46H,12,15,17,19,21-22H2,1-11H3/b24-20+/t23-,25+,26+,27-,30-,31+,33+,34+,35+,37-,39+,40+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=CC7=CC=CC=C76)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C46H35NO6/c1-26(48)27-16-19-31(20-17-27)47-44(52)34-22-21-33-36(40(34)45(47)53)24-37-43(51)35(28-10-4-2-5-11-28)25-39(50)46(37,30-13-6-3-7-14-30)42(33)41-32-15-9-8-12-29(32)18-23-38(41)49/h2-21,23,25,34,36-37,40,42,49H,22,24H2,1H3/t34-,36+,37-,40-,42+,46-/m0/s1
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)[C@@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C21H30N2O3/c1-4-26-18-10-8-17(9-11-18)22-21(25)16-12-20(24)23(13-16)19-7-5-6-14(2)15(19)3/h8-11,14-16,19H,4-7,12-13H2,1-3H3,(H,22,25)/t14-,15-,16-,19+/m0/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC(=CC=C1)F)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H21FN2O5/c1-11(23-18(25)15-8-3-4-9-16(15)19(23)26)20(27)28-12(2)17(24)22-14-7-5-6-13(21)10-14/h3-7,10-12,15-16H,8-9H2,1-2H3,(H,22,24)/t11-,12+,15-,16+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=NN(C5=CC=CC=C54)CCO)C(=O)O
InChI: InChI=1S/C22H22N8O6S2/c1-36-26-15(12-10-38-22(23)24-12)18(32)25-16-19(33)30-17(21(34)35)11(9-37-20(16)30)8-29-14-5-3-2-4-13(14)28(27-29)6-7-31/h2-5,10,16,20,31H,6-9H2,1H3,(H3-,23,24,25,32,34,35)/p+1/b26-15-/t16-,20-/m1/s1
SMILES: CC(C1=CN(C2C1C3=CC=CC=C3C(=C2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8N7)Cl
InChI: InChI=1S/C46H43ClN4O12/c1-22(47)32-20-51(45(57)36-18-28-16-29(14-15-34(28)50-36)48-44(56)35-17-27-10-6-9-13-33(27)49-35)37-19-38(30-11-7-8-12-31(30)40(32)37)62-46-43(61-26(5)55)42(60-25(4)54)41(59-24(3)53)39(63-46)21-58-23(2)52/h6-20,22,37,39-43,46,49-50H,21H2,1-5H3,(H,48,56)/t22?,37?,39-,40?,41+,42+,43-,46-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N=CC2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C25H26N2O4/c1-16-6-2-5-9-21(16)26-13-20-18-7-3-4-8-19(18)24(28)27(25(20)29)14-17-10-11-22-23(12-17)31-15-30-22/h3-4,7-8,10-13,16,20-21H,2,5-6,9,14-15H2,1H3/t16-,20?,21-/m1/s1
SMILES: C[C@H]([C@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H52O4Si/c1-19(33-34(8,9)26(3,4)5)23-14-17-29(31)25-11-10-21-18-22(32-20(2)30)12-15-27(21,6)24(25)13-16-28(23,29)7/h19,21-25,31H,10-18H2,1-9H3/t19-,21-,22+,23-,24+,25-,27+,28-,29+/m1/s1
SMILES: CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC
InChI: InChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12+,13+,14-,15-,16-,17+/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC7=CC=CC=C7C=C6)CCCCO)CCCCO)N(CC8=CC9=C(C=C8)OCO9)C(=O)C1CC1
InChI: InChI=1S/C56H60N2O9/c1-2-28-64-56-52(58(55(61)40-19-20-40)34-38-18-24-50-51(29-38)63-36-62-50)33-48(57-65-35-37-12-4-3-5-13-37)46-31-42(16-8-10-26-59)45(17-9-11-27-60)53(54(46)56)47-32-44(23-25-49(47)67-56)66-43-22-21-39-14-6-7-15-41(39)30-43/h2-7,12-15,18,21-25,29-32,40,42,45,52-54,59-60H,1,8-11,16-17,19-20,26-28,33-36H2/t42-,45+,52-,53+,54+,56+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)Cl)C(=O)O
InChI: InChI=1S/C24H28ClN3O3/c25-17-5-9-19(10-6-17)27-13-15-28(16-14-27)20-11-7-18(8-12-20)26-23(29)21-3-1-2-4-22(21)24(30)31/h5-12,21-22H,1-4,13-16H2,(H,26,29)(H,30,31)/t21-,22+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2)F
InChI: InChI=1S/C18H25FN2O/c1-13-6-7-16(10-17(13)19)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3,(H,20,22)/p+1/t14-,15+/m0/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H30N2O4S/c1-16-6-7-19(28(25,26)23-10-12-27-13-11-23)14-20(16)21(24)22-9-8-17-4-2-3-5-18(17)15-22/h6-7,14,17-18H,2-5,8-13,15H2,1H3/t17-,18-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C46H38N2O10/c1-55-25-26-57-45(54)47-36-24-17-29(14-13-28-15-22-34(56-2)23-16-28)27-35(36)46(44(47)53)37(42(50)51)39-43(52)58-40(31-11-7-4-8-12-31)38(30-9-5-3-6-10-30)48(39)41(46)32-18-20-33(49)21-19-32/h3-12,15-24,27,37-41,49H,25-26H2,1-2H3,(H,50,51)/t37-,38-,39-,40+,41+,46-/m1/s1
SMILES: C=CC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)OC(F)(F)F)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C41H30ClF3N2O6/c1-2-22-11-13-25(14-12-22)46-36(49)29-17-16-28-30(34(29)38(46)51)21-32-37(50)47(26-10-6-9-24(42)19-26)39(52)40(32,23-7-4-3-5-8-23)35(28)31-20-27(15-18-33(31)48)53-41(43,44)45/h2-16,18-20,29-30,32,34-35,48H,1,17,21H2/t29-,30+,32-,34-,35+,40+/m0/s1
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@@H]3C[NH+]4CCN(CC4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C26H36N2O3/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h6-9,21-22,24H,4-5,10-17H2,1-3H3/p+1/t21-,22-,24-,26-/m1/s1
SMILES: CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)C(=C)[C@@H]4CCC(=C5[C@@H](C4)C(=CC5=O)C)CO)C(=C)C(=O)O3)C(=CC2=O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C36H42O13/c1-14-7-22(39)28-19(11-37)6-5-18(9-21(14)28)16(3)34(44)47-24-8-15(2)26-23(40)10-20(29(26)33-27(24)17(4)35(45)49-33)13-46-36-32(43)31(42)30(41)25(12-38)48-36/h7,10,18,21,24-25,27,29-33,36-38,41-43H,3-6,8-9,11-13H2,1-2H3/t18-,21+,24+,25-,27-,29+,30-,31+,32-,33+,36-/m1/s1
SMILES: C[C@@H]1CCO[C@H](/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@@H](C)O
InChI: InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CC=CC=C1OC)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H21NO6/c1-12(21-18(23)13-7-3-4-8-14(13)19(21)24)20(25)27-11-16(22)15-9-5-6-10-17(15)26-2/h3-6,9-10,12-14H,7-8,11H2,1-2H3/t12-,13-,14+/m0/s1
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)NC(=O)[C]5[CH][CH][CH][CH]5
InChI: InChI=1S/C25H26N3O/c1-2-17-16-28-14-12-19(17)15-23(28)24(27-25(29)18-7-3-4-8-18)21-11-13-26-22-10-6-5-9-20(21)22/h2-11,13,17,19,23-24H,1,12,14-16H2,(H,27,29)/t17-,19-,23+,24+/m0/s1
SMILES: CC(C)NC(=O)O[C@@H]1CC[C@@]2([C@@H]([C@]1(C)CO)CC[C@@H]3[C@H]2CC(=O)O3)C
InChI: InChI=1S/C19H31NO5/c1-11(2)20-17(23)25-15-7-8-18(3)12-9-16(22)24-13(12)5-6-14(18)19(15,4)10-21/h11-15,21H,5-10H2,1-4H3,(H,20,23)/t12-,13-,14+,15-,18+,19+/m1/s1
SMILES: CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C23H28N2O5/c1-3-15(2)16-8-10-17(11-9-16)24-20(26)14-30-21(27)12-13-25-22(28)18-6-4-5-7-19(18)23(25)29/h4-5,8-11,15,18-19H,3,6-7,12-14H2,1-2H3,(H,24,26)/t15-,18-,19-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)CC4=CC=CC=C4Cl
InChI: InChI=1S/C19H17ClN4O2/c1-2-12-7-9-14(10-8-12)24-18(25)16-17(19(24)26)23(22-21-16)11-13-5-3-4-6-15(13)20/h3-10,16-17H,2,11H2,1H3/t16-,17+/m0/s1
SMILES: CC(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C4COC(=O)C4=C(C5=CC(=C(C=C53)OC)OC)C6=CC7=C(C=C6)OCO7)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C44H46O22/c1-18(45)59-32-15-55-43(40(63-22(5)49)38(32)61-20(3)47)56-16-33-37(60-19(2)46)39(62-21(4)48)41(64-23(6)50)44(65-33)66-36-26-13-30(53-8)29(52-7)12-25(26)34(35-27(36)14-54-42(35)51)24-9-10-28-31(11-24)58-17-57-28/h9-13,32-33,37-41,43-44H,14-17H2,1-8H3/t32-,33+,37-,38-,39-,40+,41+,43-,44-/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C=CC5=CC(=C(C=C5)O)OC)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C26H22BrNO6/c1-28-25(32)15-7-6-13-14(5-3-12-4-8-19(29)21(9-12)34-2)22-17(10-16(13)23(15)26(28)33)24(31)18(27)11-20(22)30/h3-6,8-9,11,14-16,23,29H,7,10H2,1-2H3/t14-,15-,16+,23-/m0/s1
SMILES: C[C@@H]1CC[C@@H](N2[C@@H]1OC[C@H]2C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C17H25NO/c1-12(2)15-10-9-13(3)17-18(15)16(11-19-17)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3/t13-,15-,16+,17-/m1/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](CC(=C)[C@H]5O)C(=O)O3)O)C)\C)O[C@@H]1C
InChI: InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,18,20,22,24-28,32,34H,4,10-17H2,1-3,5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C15H14ClNO2/c16-10-3-1-2-4-11(10)17-14(18)12-8-5-6-9(7-8)13(12)15(17)19/h1-4,8-9,12-13H,5-7H2/t8-,9-,12-,13-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OC)O
InChI: InChI=1S/C20H23NO5/c1-4-26-16-10-12(8-9-14(16)22)18-17(20(24)25-3)11(2)21-13-6-5-7-15(23)19(13)18/h8-10,17-18,22H,4-7H2,1-3H3/t17-,18-/m1/s1
SMILES: CCNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5CCC[C@H]5CN6CCCC6
InChI: InChI=1S/C38H50N4O4/c1-3-39-38(44)40-23-32-9-4-5-11-34(32)29-16-18-31(19-17-29)37-45-35(25-42-22-8-10-33(42)24-41-20-6-7-21-41)27(2)36(46-37)30-14-12-28(26-43)13-15-30/h4-5,9,11-19,27,33,35-37,43H,3,6-8,10,20-26H2,1-2H3,(H2,39,40,44)/t27-,33+,35+,36+,37+/m1/s1
SMILES: CCCN1[C@@H]([C@H]([C@H]([C@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)COC(=O)CN5C(=O)CCCC5=O
InChI: InChI=1S/C37H42N2O8/c1-2-21-38-30(26-44-33(42)22-39-31(40)19-12-20-32(39)41)34(45-23-27-13-6-3-7-14-27)35(46-24-28-15-8-4-9-16-28)36(37(38)43)47-25-29-17-10-5-11-18-29/h3-11,13-18,30,34-36H,2,12,19-26H2,1H3/t30-,34-,35-,36-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=O)(OCCC#N)OC6=CC=CC=C6Cl
InChI: InChI=1S/C45H52ClN4O10PSi/c1-44(2,3)62(6,7)60-41-40(59-61(52,56-29-13-27-47)58-37-17-12-11-16-36(37)46)38(57-42(41)50-28-26-39(48)49-43(50)51)30-55-45(31-14-9-8-10-15-31,32-18-22-34(53-4)23-19-32)33-20-24-35(54-5)25-21-33/h8-12,14-26,28,38,40-42H,13,29-30H2,1-7H3,(H2,48,49,51)/t38-,40-,41-,42-,61?/m1/s1
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H18ClN3O5/c1-11(18(26)23-13-7-6-12(9-22)16(21)8-13)29-17(25)10-24-19(27)14-4-2-3-5-15(14)20(24)28/h2-3,6-8,11,14-15H,4-5,10H2,1H3,(H,23,26)/t11-,14+,15+/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCOCC5=CC=CC=C5)OCC=C
InChI: InChI=1S/C45H63N3O12/c1-4-23-58-45-40(48(19-24-55-25-22-51)44(53)57-27-26-56-31-32-13-7-6-8-14-32)30-38(47-54-3)36-28-33(15-9-11-20-49)35(16-10-12-21-50)41(42(36)45)37-29-34(17-18-39(37)60-45)59-43(52)46-5-2/h4,6-8,13-14,17-18,28-29,33,35,40-42,49-51H,1,5,9-12,15-16,19-27,30-31H2,2-3H3,(H,46,52)/t33-,35+,40-,41+,42+,45+/m0/s1
SMILES: CC(=O)N/C(=C\C1=CC=C(C=C1)[C@@H]2C=C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)/C(=O)OC
InChI: InChI=1S/C30H49NO6Si2/c1-21(32)31-24(28(33)34-8)19-22-13-15-23(16-14-22)25-17-18-26(37-39(11,12)30(5,6)7)27(36-25)20-35-38(9,10)29(2,3)4/h13-19,25-27H,20H2,1-12H3,(H,31,32)/b24-19-/t25-,26-,27+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@]3(CC[NH+]2CC4=CC(=CC=C4)F)O
InChI: InChI=1S/C24H30FNO2/c1-2-28-22-12-4-3-10-20(22)23-21-11-5-6-13-24(21,27)14-15-26(23)17-18-8-7-9-19(25)16-18/h3-4,7-10,12,16,21,23,27H,2,5-6,11,13-15,17H2,1H3/p+1/t21-,23-,24+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)OCOC(=O)C4=CN(C=CC4)C)C
InChI: InChI=1S/C25H29N3O8S/c1-25(2)19(24(32)36-13-35-23(31)14-8-7-11-27(3)12-14)28-21(30)18(22(28)37-25)26-20(29)17-15(33-4)9-6-10-16(17)34-5/h6-7,9-12,18-19,22H,8,13H2,1-5H3,(H,26,29)/t18-,19+,22-/m1/s1
SMILES: C1CCC(C1)[C@@H]2C[C@@]2(C3=C(C(=CC=C3)S(=O)(=O)CC4=CN=CC=C4)F)C(=O)NC5=NC(=CS5)Cl
InChI: InChI=1S/C24H23ClFN3O3S2/c25-20-13-33-23(28-20)29-22(30)24(11-18(24)16-6-1-2-7-16)17-8-3-9-19(21(17)26)34(31,32)14-15-5-4-10-27-12-15/h3-5,8-10,12-13,16,18H,1-2,6-7,11,14H2,(H,28,29,30)/t18-,24-/m0/s1
SMILES: CC1(OCCO1)C2CC[C@H]([C@@]2(CC(C(=O)OC)C(=O)OC)C3=CC=C(C=C3)Br)C=C
InChI: InChI=1S/C23H29BrO6/c1-5-15-8-11-19(22(2)29-12-13-30-22)23(15,16-6-9-17(24)10-7-16)14-18(20(25)27-3)21(26)28-4/h5-7,9-10,15,18-19H,1,8,11-14H2,2-4H3/t15-,19?,23+/m1/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC2=NN=C(O2)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C25H23N3O5/c1-14-10-17(14)25(29)32-13-23-27-28-24(33-23)18-12-20(26-19-7-5-4-6-16(18)19)15-8-9-21(30-2)22(11-15)31-3/h4-9,11-12,14,17H,10,13H2,1-3H3/t14-,17+/m0/s1
SMILES: C[C@H](C=NOC[C@@H]1[C@H](C=C[C@H](O1)C2=CC=CC=C2)OC3=CC=C(C=C3)OC)[C@@H](C(C)C)OCC4=CC=CC=C4
InChI: InChI=1S/C33H39NO5/c1-24(2)33(36-22-26-11-7-5-8-12-26)25(3)21-34-37-23-32-31(38-29-17-15-28(35-4)16-18-29)20-19-30(39-32)27-13-9-6-10-14-27/h5-21,24-25,30-33H,22-23H2,1-4H3/t25-,30+,31+,32-,33-/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H23ClN2O5/c32-23-13-15-24(16-14-23)34-27(21-11-17-25(18-12-21)38-31(37)22-9-5-2-6-10-22)26-28(39-34)30(36)33(29(26)35)19-20-7-3-1-4-8-20/h1-18,26-28H,19H2/t26-,27-,28-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]3[C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(OC/C=C\CN3C(=O)O2)C)C)C)C
InChI: InChI=1S/C34H54N2O10/c1-11-24-34(8)28-20(4)25(37)18(2)17-33(7,42-15-13-12-14-36(28)32(41)46-34)29(21(5)26(38)22(6)30(40)44-24)45-31-27(39)23(35(9)10)16-19(3)43-31/h12-13,18-24,27-29,31,39H,11,14-17H2,1-10H3/b13-12-/t18-,19-,20+,21+,22-,23+,24-,27-,28+,29-,31+,33-,34-/m1/s1
SMILES: CC1(OCCO1)CC[C@H]2CC(=O)N([C@@H]2CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C22H41NO6Si/c1-20(2,3)29-19(25)23-17(15-28-30(8,9)21(4,5)6)16(14-18(23)24)10-11-22(7)26-12-13-27-22/h16-17H,10-15H2,1-9H3/t16-,17+/m0/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C[C@@H]2NCC3=CC=CC=C3)NCC4=CC=CC=C4
InChI: InChI=1S/C21H26N2/c1-3-7-16(8-4-1)14-22-20-12-19-11-18(20)13-21(19)23-15-17-9-5-2-6-10-17/h1-10,18-23H,11-15H2/t18-,19-,20+,21+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CCCC(=O)O)I)O
InChI: InChI=1S/C27H23BrINO8/c1-38-19-8-11(7-17(29)25(19)35)21-12-4-5-13-22(27(37)30(26(13)36)6-2-3-20(32)33)14(12)9-15-23(21)18(31)10-16(28)24(15)34/h4,7-8,10,13-14,21-22,35H,2-3,5-6,9H2,1H3,(H,32,33)/t13-,14+,21-,22-/m0/s1
SMILES: CCC1=CC=C(C=C1)C(=C)[C@H]2CN[C@@H]([C@H]2CC(=O)O)C(=O)O
InChI: InChI=1S/C17H21NO4/c1-3-11-4-6-12(7-5-11)10(2)14-9-18-16(17(21)22)13(14)8-15(19)20/h4-7,13-14,16,18H,2-3,8-9H2,1H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H](C(O1)C(COC)O[C@H]2[C@@H]([C@H](C(O2)C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC)OC
InChI: InChI=1S/C31H52O15/c1-9-10-11-12-13-14-15-39-30-28(38-8)26(37-7)24(45-30)22(16-36-6)44-31-29(43-21(5)35)27(42-20(4)34)25(46-31)23(41-19(3)33)17-40-18(2)32/h22-31H,9-17H2,1-8H3/t22?,23?,24?,25?,26-,27-,28+,29+,30+,31+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)C/C=C/C(=O)OC
InChI: InChI=1S/C15H20N2O6/c1-9-7-17(15(21)16-14(9)20)12-6-10(11(8-18)23-12)4-3-5-13(19)22-2/h3,5,7,10-12,18H,4,6,8H2,1-2H3,(H,16,20,21)/b5-3+/t10-,11+,12+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OCCN7CC7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H77N3O10/c1-4-6-7-8-9-10-11-12-13-18-31-62-52(59)56(37-39-21-23-47-48(33-39)64-38-63-47)49-36-45(54-60-3)43-34-40(19-14-16-28-57)42(20-15-17-29-58)50-44-35-41(61-32-27-55-25-26-55)22-24-46(44)66-53(49,51(43)50)65-30-5-2/h5,21-24,33-35,40,42,49-51,57-58H,2,4,6-20,25-32,36-38H2,1,3H3/t40-,42+,49-,50+,51+,53+/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@@H]1C[C@H]4C5=CC(=C(C=C5CCN4C(=O)[C@@H](CC6=CNC7=CC=CC=C76)NC(=O)OC(C)(C)C)OC)OC)OC)OC
InChI: InChI=1S/C45H58N4O7/c1-9-27-26-48-16-14-28-21-39(52-5)41(54-7)23-33(28)37(48)19-30(27)20-38-34-24-42(55-8)40(53-6)22-29(34)15-17-49(38)43(50)36(47-44(51)56-45(2,3)4)18-31-25-46-35-13-11-10-12-32(31)35/h10-13,21-25,27,30,36-38,46H,9,14-20,26H2,1-8H3,(H,47,51)/t27-,30+,36+,37+,38-/m0/s1
SMILES: C[C@@H]1CC=C2[C@H](C1)[C@@H]([C@@H](C(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C20H17ClN4/c1-12-6-7-16-14(8-12)18(13-4-2-3-5-17(13)21)15(9-22)19(25)20(16,10-23)11-24/h2-5,7,12,14-15,18,25H,6,8H2,1H3/t12-,14+,15+,18+/m1/s1
SMILES: C1[C@@H]2[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C5=NC6=CC=CC=C6N=C54)Cl)Cl)Cl)Cl
InChI: InChI=1S/C17H10Cl4N2/c18-12-13(19)17(21)11-7-5-6(7)10(11)16(12,20)14-15(17)23-9-4-2-1-3-8(9)22-14/h1-4,6-7,10-11H,5H2/t6-,7+,10-,11+,16-,17+