EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CCC1C(O1)(C)CO)[C@H]2CC[C@@]3([C@@]2(CCC4=C3C(=O)C[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C
InChI: InChI=1S/C30H46O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31H,8-17H2,1-7H3/t18-,19-,22+,24?,27-,28-,29+,30?/m1/s1
SMILES: CC1=CN(C(=O)N=C1NNC2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI: InChI=1S/C16H19N7O3/c1-10-8-23(14-7-12(20-22-17)13(9-24)26-14)16(25)18-15(10)21-19-11-5-3-2-4-6-11/h2-6,8,12-14,19,24H,7,9H2,1H3,(H,18,21,25)/t12-,13+,14+/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-/m1/s1
SMILES: C1C[NH+]2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)C[NH3+])C(=O)NCC4=CC=CO4
InChI: InChI=1S/C17H24N6O2/c18-7-13-9-23(21-20-13)10-14-6-12-3-4-22(14)11-16(12)17(24)19-8-15-2-1-5-25-15/h1-2,5,9,12,14,16H,3-4,6-8,10-11,18H2,(H,19,24)/p+2/t12-,14+,16-/m0/s1
SMILES: CC(C)OC1=CC2=C(C=C1)[C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3CC2=O)CCOC5CCCCO5)C
InChI: InChI=1S/C28H40O4/c1-18(2)32-20-8-9-21-22-11-13-28(3)19(12-15-31-27-6-4-5-14-30-27)7-10-25(28)23(22)17-26(29)24(21)16-20/h8-9,16,18-19,22-23,25,27H,4-7,10-15,17H2,1-3H3/t19-,22-,23-,25+,27?,28-/m1/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3C=CCC4=CC=CC=C4O)C(=O)N5CCC[C@@H]5C(=O)NCCO)CCCCC
InChI: InChI=1S/C41H54N2O8/c1-3-5-11-22-41(23-12-6-4-2)50-36-28-31(39(47)43-25-14-20-33(43)38(46)42-24-26-44)27-35(37(36)51-41)49-40(48)32-19-9-7-15-29(32)17-13-18-30-16-8-10-21-34(30)45/h7-10,13,15-17,19,21,28,33,35-37,44-45H,3-6,11-12,14,18,20,22-27H2,1-2H3,(H,42,46)/t33-,35-,36-,37+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC(C)(C)C)OCC(Cl)(Cl)Cl)N=[N+]=[N-]
InChI: InChI=1S/C19H28Cl3N6O8P/c1-10-7-28(17(31)24-15(10)29)14-6-12(25-27-23)13(35-14)8-33-37(32,34-9-19(20,21)22)26-11(2)16(30)36-18(3,4)5/h7,11-14H,6,8-9H2,1-5H3,(H,26,32)(H,24,29,31)/t11-,12-,13+,14+,37?/m0/s1
SMILES: COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O)O
InChI: InChI=1S/C31H34N2O9/c1-39-24(34)17-23(22-15-9-4-10-16-22)32-29(37)28-27(36)26(35)25(30(42-28)40-18-20-11-5-2-6-12-20)33-31(38)41-19-21-13-7-3-8-14-21/h2-16,23,25-28,30,35-36H,17-19H2,1H3,(H,32,37)(H,33,38)/t23-,25+,26+,27+,28-,30-/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C48H62N2O8S/c1-6-27-56-48-43(50(5)46(53)55-33-34-17-9-7-10-18-34)32-41(49-58-47(2,3)4)39-30-35(19-13-15-25-51)38(22-14-16-26-52)44(45(39)48)40-31-36(23-24-42(40)57-48)54-28-29-59-37-20-11-8-12-21-37/h6-12,17-18,20-21,23-24,30-31,35,38,43-45,51-52H,1,13-16,19,22,25-29,32-33H2,2-5H3/t35-,38+,43-,44+,45+,48+/m0/s1
SMILES: C=O.C(COCCO)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C1(=NC(=NC(=N1)N)N)N
InChI: InChI=1S/C12H22O11.C4H10O3.C3H6N6.CH2O/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;5-1-3-7-4-2-6;4-1-7-2(5)9-3(6)8-1;1-2/h4-11,13-20H,1-3H2;5-6H,1-4H2;(H6,4,5,6,7,8,9);1H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-;;;/m1.../s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H](CN2N1C(=O)N(C2=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H19N3O8/c1-7(18)23-6-10-12(25-9(3)20)11(24-8(2)19)5-16-13(21)15(4)14(22)17(10)16/h10-12H,5-6H2,1-4H3/t10-,11-,12+/m1/s1
SMILES: CC1=CC[C@@H]2[C@@H]([C@@H]3[C@H]1CC=C3C)OC(=O)C2=C
InChI: InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4-5,11-14H,3,6-7H2,1-2H3/t11-,12-,13-,14-/m0/s1
SMILES: C[Si](C)(C)O[C@@]12[C@H]([C@@H]([C@@](O1)(C3=C(C(=C(C(=C23)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)O[Si](C)(C)C)C(=O)C8=CC=CC=C8)C(=O)C9=CC=CC=C9
InChI: InChI=1S/C54H50O5Si2/c1-60(2,3)58-53-47-45(39-29-17-9-18-30-39)43(37-25-13-7-14-26-37)44(38-27-15-8-16-28-38)46(40-31-19-10-20-32-40)48(47)54(57-53,59-61(4,5)6)50(52(56)42-35-23-12-24-36-42)49(53)51(55)41-33-21-11-22-34-41/h7-36,49-50H,1-6H3/t49-,50-,53-,54+/m1/s1
SMILES: CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)C(=O)NC(C)(C)C)C
InChI: InChI=1S/C29H40N4O4/c1-28(2,3)30-27(35)32-15-13-18(14-16-32)33-26(34)21-10-8-7-9-19(21)24(31-33)20-11-12-23(36-6)25-22(20)17-29(4,5)37-25/h7-8,11-12,18-19,21H,9-10,13-17H2,1-6H3,(H,30,35)/t19-,21+/m0/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@@H]([C@H]3[C@H]2C=CC3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H17Cl2NO2/c1-25-20(24)16-7-3-6-14-12-4-2-5-13(12)18(23-19(14)16)15-9-8-11(21)10-17(15)22/h2-4,6-10,12-13,18,23H,5H2,1H3/t12-,13-,18+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CC2CC2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)CO)OC)C(=O)NCCO)C(C)C
InChI: InChI=1S/C33H49IN2O8/c1-19(2)24-8-5-20(3)11-27(24)43-18-30(39)36(16-21-6-7-21)26-14-23(33(41)35-9-10-37)15-28(31(26)40)44-32-25(34)12-22(17-38)13-29(32)42-4/h12-13,15,19-21,24,26-28,31,37-38,40H,5-11,14,16-18H2,1-4H3,(H,35,41)/t20-,24+,26+,27-,28-,31-/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)CCC[C@@H]2[C@H]([C@@H](CC2=O)O)C#CC3(CCCC3)O
InChI: InChI=1S/C23H28O5/c1-28-22(26)17-9-7-16(8-10-17)5-4-6-18-19(21(25)15-20(18)24)11-14-23(27)12-2-3-13-23/h7-10,18-19,21,25,27H,2-6,12-13,15H2,1H3/t18-,19-,21-/m1/s1
SMILES: CC1=C(NC2=C1C[C@H]3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC)CCN4C)C(=O)OCC(C)C
InChI: InChI=1S/C26H32N2O4/c1-13(2)12-31-25(29)21-14(3)16-11-17-18-10-15-6-7-19(30-5)23-20(15)26(17,8-9-28(18)4)24(32-23)22(16)27-21/h6-7,13,17-18,24,27H,8-12H2,1-5H3/t17-,18+,24-,26-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](OC(=O)[C@@H]3N2[C@H]([C@]4([C@H]3C(=O)NCC5=NC6=CC=CC=C6N5)C7=C(C=CC(=C7)C#CCCO)NC4=O)C8=CC=C(C=C8)O)C9=CC=CC=C9
InChI: InChI=1S/C45H37N5O6/c51-24-10-9-11-27-18-23-33-32(25-27)45(44(55)49-33)37(42(53)46-26-36-47-34-16-7-8-17-35(34)48-36)39-43(54)56-40(29-14-5-2-6-15-29)38(28-12-3-1-4-13-28)50(39)41(45)30-19-21-31(52)22-20-30/h1-8,12-23,25,37-41,51-52H,10,24,26H2,(H,46,53)(H,47,48)(H,49,55)/t37-,38-,39-,40+,41+,45-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@]46CCC(C5(C)C)(OC6)O)C)C)C(=O)O)(C)C
InChI: InChI=1S/C35H52O6/c1-9-21(2)27(36)41-26-19-29(3,4)18-23-22-10-11-25-32(8,31(22,7)14-16-34(23,26)28(37)38)13-12-24-30(5,6)35(39)17-15-33(24,25)20-40-35/h9-10,23-26,39H,11-20H2,1-8H3,(H,37,38)/b21-9-/t23-,24-,25-,26+,31+,32+,33+,34-,35?/m0/s1
SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C)[C@@H]1CC(CC2)(C)C)C
InChI: InChI=1S/C40H58O4/c1-35(2)20-21-37(5)22-23-39(7)27(28(37)25-35)12-14-32-38(6)18-17-33(36(3,4)31(38)16-19-40(32,39)8)44-34(42)15-11-26-10-13-29(41)30(24-26)43-9/h10-13,15,24,28,31-33,41H,14,16-23,25H2,1-9H3/b15-11+/t28-,31-,32+,33-,37+,38-,39+,40+/m0/s1
SMILES: CCCCCCC(=O)OCC(=O)[C@H]1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C28H42O4/c1-4-5-6-7-8-26(31)32-18-25(30)24-12-11-22-21-10-9-19-17-20(29)13-15-27(19,2)23(21)14-16-28(22,24)3/h17,21-24H,4-16,18H2,1-3H3/t21?,22?,23?,24-,27+,28+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=C(C=C5)Cl)NC6=C(C=C(C=N6)C(F)(F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C38H26BrCl2F3N4O5/c39-20-7-11-22(12-8-20)47-33(50)25-14-13-23-26(30(25)35(47)52)16-27-34(51)48(46-32-28(41)15-19(17-45-32)38(42,43)44)36(53)37(27,18-5-9-21(40)10-6-18)31(23)24-3-1-2-4-29(24)49/h1-13,15,17,25-27,30-31,49H,14,16H2,(H,45,46)/t25-,26+,27-,30-,31+,37+/m0/s1
SMILES: CCC(=O)OC[C@]12CO[C@@H]([C@H]([C@H]1C)C(=C[C@H]2C)C)C3=CC=CC=C3OC(=O)CC
InChI: InChI=1S/C24H32O5/c1-6-20(25)27-13-24-14-28-23(22(17(24)5)15(3)12-16(24)4)18-10-8-9-11-19(18)29-21(26)7-2/h8-12,16-17,22-23H,6-7,13-14H2,1-5H3/t16-,17-,22+,23-,24-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)CCC7=CC=C(C=C7)O)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C38H32ClFN2O7/c1-38-28(35(46)42(37(38)48)22-4-10-30(40)29(39)16-22)17-27-25(33(38)21-14-20-15-24(44)7-11-31(20)49-18-21)8-9-26-32(27)36(47)41(34(26)45)13-12-19-2-5-23(43)6-3-19/h2-8,10-11,15-16,18,26-28,32-33,43-44H,9,12-14,17H2,1H3/t26-,27+,28-,32-,33-,38+/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(C6=CC=CC=C56)O)C(=O)N(C4=O)CC7=CC=CS7
InChI: InChI=1S/C32H25NO5S/c1-16-13-26(35)29-24(30(16)36)14-23-21(27(29)20-10-11-25(34)19-7-3-2-6-18(19)20)8-9-22-28(23)32(38)33(31(22)37)15-17-5-4-12-39-17/h2-8,10-13,22-23,27-28,34H,9,14-15H2,1H3/t22-,23+,27-,28-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CC(=O)C(=C2[C@H]1O[Si](C)(C)C(C)(C)C)I
InChI: InChI=1S/C20H37IO3Si2/c1-19(2,3)25(7,8)23-15-12-13-11-14(22)17(21)16(13)18(15)24-26(9,10)20(4,5)6/h13,15,18H,11-12H2,1-10H3/t13-,15+,18-/m0/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3[C@@H]([C@H](C(O2)CO)OC(=O)[C@@H]([C@H]4[C@@H](C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)CC(=O)O)O)O
InChI: InChI=1S/C27H24O19/c28-5-12-20-19(37)22(27(42-12)46-23(38)6-1-9(29)16(34)10(30)2-6)45-24(39)7-3-11(31)17(35)21-15(7)14(18(36)26(41)43-20)8(4-13(32)33)25(40)44-21/h1-3,8,12,14,18-20,22,27-31,34-37H,4-5H2,(H,32,33)/t8-,12?,14-,18+,19+,20-,22?,27?/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC[C@H](C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O)C(C)C
InChI: InChI=1S/C24H39ClN2O2/c1-17(2)22-8-5-18(3)13-24(22)29-16-21(28)15-26-9-11-27(12-10-26)23-14-20(25)7-6-19(23)4/h6-7,14,17-18,21-22,24,28H,5,8-13,15-16H2,1-4H3/p+1/t18-,21+,22-,24-/m1/s1
SMILES: C1=CC(=NC(=C1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Cl)Cl
InChI: InChI=1S/C10H11Cl2NO4/c11-6-2-1-4(10(12)13-6)9-8(16)7(15)5(3-14)17-9/h1-2,5,7-9,14-16H,3H2/t5-,7-,8-,9+/m1/s1
SMILES: C[C@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC(=C(C=C4)OC)OC)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C28H35NO7/c1-15-13-19-25(26(30)22(15)27(31)35-5)24(17-11-12-20(33-3)21(14-17)34-4)23(16(2)29-19)28(32)36-18-9-7-6-8-10-18/h11-12,14-15,18,22,24,29H,6-10,13H2,1-5H3/t15-,22-,24-/m0/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1CCC3C2C(C[C@]4(C3CC[C@@]4(C(=O)CO)O)C)O
InChI: InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19-,20-,21-/m0/s1
SMILES: CC[C@]1(C[C@@H]2C3=CC4=C(C=C3[C@H]1C(=O)O2)C(=O)C5=CC=CC=C5C4=O)OC
InChI: InChI=1S/C22H18O5/c1-3-22(26-2)10-17-13-8-15-16(9-14(13)18(22)21(25)27-17)20(24)12-7-5-4-6-11(12)19(15)23/h4-9,17-18H,3,10H2,1-2H3/t17-,18+,22-/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3C[C@@]2(C[C@@H]1OC(=O)C)C(C)(C)O)OC(=O)/C=C/C4=CC=CC=C4)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H46O11/c1-20-27-18-37(35(7,8)43)19-29(44-22(3)38)21(2)32(37)33(46-24(5)40)34(47-25(6)41)36(27,9)30(45-23(4)39)17-28(20)48-31(42)16-15-26-13-11-10-12-14-26/h10-16,27-30,33-34,43H,1,17-19H2,2-9H3/b16-15+/t27-,28+,29+,30+,33-,34+,36+,37+/m1/s1
SMILES: CC(=O)[C@]12CCCC[C@H]1C[C@H](C2)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H32OSi/c1-23(30)29-20-12-11-13-24(29)21-28(22-29)31(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-10,14-19,24,28H,11-13,20-22H2,1H3/t24-,28+,29+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H]1OCC3=CC=CC=C3)COCC4=CC=CC=C4)OC5=CC(=NC(=O)N25)N
InChI: InChI=1S/C24H25N3O4/c25-21-12-22-27(24(28)26-21)19-11-20(30-14-17-9-5-2-6-10-17)18(23(19)31-22)15-29-13-16-7-3-1-4-8-16/h1-10,12,18-20,23H,11,13-15H2,(H2,25,26,28)/t18-,19+,20+,23-/m0/s1
SMILES: COC1=C(C=C2[C@H]3[C@H](CN3CCC2=C1)COC(=O)NC4=CC=C(C=C4)Cl)OC
InChI: InChI=1S/C21H23ClN2O4/c1-26-18-9-13-7-8-24-11-14(20(24)17(13)10-19(18)27-2)12-28-21(25)23-16-5-3-15(22)4-6-16/h3-6,9-10,14,20H,7-8,11-12H2,1-2H3,(H,23,25)/t14-,20-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@H](O1)CC=O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C24H32O3Si/c1-19-15-16-23(22(26-19)17-18-25)27-28(24(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22-23H,15-17H2,1-4H3/t19-,22-,23+/m1/s1
SMILES: CCCCCCCCCCC[C@H](CC(=O)O[C@H](C)CC(=O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
InChI: InChI=1S/C24H44O9/c1-4-5-6-7-8-9-10-11-12-13-18(15-20(27)31-16(2)14-19(25)26)33-24-23(30)22(29)21(28)17(3)32-24/h16-18,21-24,28-30H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18-,21+,22-,23-,24+/m1/s1
SMILES: C1[C@H]([C@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@H]4[C@@H]5[C@H](C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O
InChI: InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26+,28+,29+,30+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl
InChI: InChI=1S/C19H28ClN3O/c1-15-6-2-4-8-17(15)21-19(24)14-22-10-12-23(13-11-22)18-9-5-3-7-16(18)20/h3,5,7,9,15,17H,2,4,6,8,10-14H2,1H3,(H,21,24)/p+1/t15-,17+/m0/s1
SMILES: CNC(=O)C1=CC=CC2=C1CC[C@H]3[C@H]2C4=CC(=C(C=C4CCN3C)Cl)O
InChI: InChI=1S/C21H23ClN2O2/c1-23-21(26)15-5-3-4-14-13(15)6-7-18-20(14)16-11-19(25)17(22)10-12(16)8-9-24(18)2/h3-5,10-11,18,20,25H,6-9H2,1-2H3,(H,23,26)/t18-,20+/m0/s1
SMILES: CCC[C@@H](C(=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)C3=NC=CN=C3)CC=C
InChI: InChI=1S/C38H51N7O8/c1-7-12-25-16-19-45(37(51)30(23(5)6)44-34(48)29(22(3)4)43-33(47)28-21-39-17-18-40-28)31(25)35(49)41-26(13-8-2)32(46)36(50)42-27(38(52)53)20-24-14-10-9-11-15-24/h7,9-11,14-15,17-18,21-23,25-27,29-31H,1,8,12-13,16,19-20H2,2-6H3,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,52,53)/t25-,26-,27-,29+,30+,31-/m0/s1
SMILES: CC1(O[C@H]2C=C[C@@H]([C@@]([C@H]2O1)(O)Cl)O)C.O[Mn]=O
InChI: InChI=1S/C9H13ClO4.Mn.H2O.O/c1-8(2)13-5-3-4-6(11)9(10,12)7(5)14-8;;;/h3-7,11-12H,1-2H3;;1H2;/q;+1;;/p-1/t5-,6-,7-,9-;;;/m0.../s1
SMILES: C1=CC=C2C3[C@@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=C(C=CC(=C6)C(=O)N)Cl
InChI: InChI=1S/C25H17ClN2O3/c26-17-10-9-12(23(27)29)11-18(17)28-24(30)21-19-13-5-1-2-6-14(13)20(22(21)25(28)31)16-8-4-3-7-15(16)19/h1-11,19-22H,(H2,27,29)/t19?,20?,21-,22+
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)O[P@@](=O)(OC)OC6=CC=CC=C6)C
InChI: InChI=1S/C35H37O9P/c1-34(2)41-32-31(44-45(36,38-4)43-29-18-12-7-13-19-29)30(40-33(32)42-34)24-39-35(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-20-22-28(37-3)23-21-27/h5-23,30-33H,24H2,1-4H3/t30-,31+,32-,33-,45+/m1/s1
SMILES: CCOC(=O)[C@@H]([C@H]1C[C@@H]1C(=O)OC)N=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H23NO4/c1-3-27-22(25)20(17-14-18(17)21(24)26-2)23-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,20H,3,14H2,1-2H3/t17-,18-,20+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H32N4O2S/c1-14(2)26-21(17-9-11-18(28-5)12-10-17)24-25-22(26)29-13-20(27)23-19-8-6-7-15(3)16(19)4/h9-12,14-16,19H,6-8,13H2,1-5H3,(H,23,27)/t15-,16+,19+/m1/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)SCCC7=NC=CN=C7)OCC=C)C=O
InChI: InChI=1S/C46H57N3O9S/c1-3-22-55-46-42(59-24-17-33-29-47-18-19-48-33)28-39(49-58-43-12-6-9-23-54-43)37-26-31(10-4-7-20-50)36(11-5-8-21-51)44(45(37)46)38-27-35(14-16-41(38)57-46)56-34-13-15-40(53-2)32(25-34)30-52/h3,13-16,18-19,25-27,29-31,36,42-45,50-51H,1,4-12,17,20-24,28H2,2H3/t31-,36+,42-,43?,44+,45+,46+/m0/s1
SMILES: C1C[C@H]2[C@H](C1)[C@H]3C[C@@H]2C[C@H]3[NH2+]CCSCC4=CC=CC=C4C#N
InChI: InChI=1S/C20H26N2S/c21-12-14-4-1-2-5-15(14)13-23-9-8-22-20-11-16-10-19(20)18-7-3-6-17(16)18/h1-2,4-5,16-20,22H,3,6-11,13H2/p+1/t16-,17-,18+,19-,20-/m1/s1
SMILES: CC1=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)C6=CC=CC(=C6)C(=O)O)O
InChI: InChI=1S/C30H22BrNO7/c1-13-9-14(5-8-22(13)33)24-17-6-7-18-25(19(17)11-20-26(24)23(34)12-21(31)27(20)35)29(37)32(28(18)36)16-4-2-3-15(10-16)30(38)39/h2-6,8-10,12,18-19,24-25,33H,7,11H2,1H3,(H,38,39)/t18-,19+,24-,25-/m0/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]5CCCN5C(=O)C(F)(F)F)CSC6=NN=C(S6)C
InChI: InChI=1S/C36H37F3N4O5S2/c1-21-30(20-49-35-42-41-22(2)50-35)47-33(48-31(21)25-13-11-23(19-44)12-14-25)28-9-4-8-27(17-28)26-7-3-6-24(16-26)18-40-32(45)29-10-5-15-43(29)34(46)36(37,38)39/h3-4,6-9,11-14,16-17,21,29-31,33,44H,5,10,15,18-20H2,1-2H3,(H,40,45)/t21-,29-,30+,31+,33+/m0/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)C4=CC=CC=C4CNC(=O)C5=CN=CC=C5)CSC6=NC7=CC=CC=C7S6
InChI: InChI=1S/C39H35N3O4S2/c1-25-34(24-47-39-42-33-10-4-5-11-35(33)48-39)45-38(46-36(25)28-14-12-26(23-43)13-15-28)29-18-16-27(17-19-29)32-9-3-2-7-30(32)22-41-37(44)31-8-6-20-40-21-31/h2-21,25,34,36,38,43H,22-24H2,1H3,(H,41,44)/t25-,34+,36+,38+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)[C@@H](CC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H23NO5/c28-21(17-9-5-2-6-10-17)15-32-26(31)20(13-16-7-3-1-4-8-16)27-24(29)22-18-11-12-19(14-18)23(22)25(27)30/h1-12,18-20,22-23H,13-15H2/t18-,19+,20-,22-,23-/m0/s1
SMILES: C/C(=C\1/C[C@H]([C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC)/O[Si](C)(C)C
InChI: InChI=1S/C19H33NO5Si/c1-12(25-26(6,7)8)13-11-14(17(21)23-5)16-10-9-15(13)20(16)18(22)24-19(2,3)4/h14-16H,9-11H2,1-8H3/b13-12+/t14-,15+,16-/m1/s1
SMILES: CC(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H16ClN3O/c1-14(27)20-19(16-6-8-17(23)9-7-16)22(12-24,13-25)21-18-5-3-2-4-15(18)10-11-26(20)21/h2-11,19-21H,1H3/t19-,20-,21-/m0/s1
SMILES: CC(=O)CCC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)OC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C38H45NO15/c1-24(40)14-17-31(43)52-30-23-50-37(35(54-33(45)19-16-26(3)42)34(30)53-32(44)18-15-25(2)41)49-22-29(36(46)48-20-27-10-6-4-7-11-27)39-38(47)51-21-28-12-8-5-9-13-28/h4-13,29-30,34-35,37H,14-23H2,1-3H3,(H,39,47)/t29-,30+,34-,35+,37+/m0/s1
SMILES: CC1=CC(=NN1C)CNC(=O)[C@H](C)[C@@H]2C[C@@]2(C)[C@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C28H34N4O3/c1-19-15-23(31-32(19)4)17-29-26(33)20(2)24-16-28(24,3)25(22-13-9-6-10-14-22)30-27(34)35-18-21-11-7-5-8-12-21/h5-15,20,24-25H,16-18H2,1-4H3,(H,29,33)(H,30,34)/t20-,24+,25+,28-/m1/s1
SMILES: CC(C)C(=O)NC1=NC2=C(C(=N1)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2[C@H]5C[C@@H]([C@H](O5)CO[Si](C)(C)C(C)(C)C)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C52H57N7O5Si/c1-36(2)47(60)55-49-54-46-45(48(56-49)64-50(61)59(40-29-19-11-20-30-40)41-31-21-12-22-32-41)53-35-58(46)44-33-42(43(63-44)34-62-65(6,7)51(3,4)5)57-52(37-23-13-8-14-24-37,38-25-15-9-16-26-38)39-27-17-10-18-28-39/h8-32,35-36,42-44,57H,33-34H2,1-7H3,(H,54,55,56,60)/t42-,43+,44+/m0/s1
SMILES: CC(=O)[C@]1([C@H]([C@H]([C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)C)O)O)O[Si](C)(C)C
InChI: InChI=1S/C28H46O8Si/c1-15(29)28(36-37(6,7)8)25(33)24(32)23-20-10-9-18-13-19(34-16(2)30)11-12-26(18,4)21(20)14-22(27(23,28)5)35-17(3)31/h18-25,32-33H,9-14H2,1-8H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27-,28+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)/C(=C\Br)/Br
InChI: InChI=1S/C13H14Br2N2O6/c1-6(19)22-9-2-11(23-10(9)5-18)17-4-7(8(15)3-14)12(20)16-13(17)21/h3-4,9-11,18H,2,5H2,1H3,(H,16,20,21)/b8-3+/t9-,10+,11+/m0/s1
SMILES: CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=COC=CC2=O)O)O)O
InChI: InChI=1S/C29H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(31)36-21-24-26(32)27(33)28(34)29(38-24)37-23-20-35-19-18-22(23)30/h3-4,6-7,9-10,18-20,24,26-29,32-34H,2,5,8,11-17,21H2,1H3/b4-3+,7-6+,10-9+/t24-,26-,27+,28-,29-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C19H28N2O3/c1-23-16-7-8-18(24-2)17(11-16)20-19(22)13-21-10-9-14-5-3-4-6-15(14)12-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H,20,22)/p+1/t14-,15-/m1/s1
SMILES: C[C@@]12COC(O[C@@H]1C[C@H](O[C@H]2CCOC(=O)C(C)(C)C)C=O)(C)C
InChI: InChI=1S/C18H30O6/c1-16(2,3)15(20)21-8-7-13-18(6)11-22-17(4,5)24-14(18)9-12(10-19)23-13/h10,12-14H,7-9,11H2,1-6H3/t12-,13-,14+,18-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F
InChI: InChI=1S/C20H22FN5O2/c1-13-4-2-3-5-17(13)24-18(27)11-25-12-22-19-16(20(25)28)10-23-26(19)15-8-6-14(21)7-9-15/h6-10,12-13,17H,2-5,11H2,1H3,(H,24,27)/t13-,17+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC[C@@]2([C@H]([C@H]3[C@@H](CO2)OC(O3)(C)C)O)O)C
InChI: InChI=1S/C17H25NO5/c1-10-5-6-12(7-11(10)2)18-9-17(20)15(19)14-13(8-21-17)22-16(3,4)23-14/h5-7,13-15,18-20H,8-9H2,1-4H3/t13-,14-,15+,17-/m1/s1
SMILES: CC[Si](CC)(CC)[C@H]1CC([C@@H]1[Se]C2=CC=CC=C2)(CO)CO
InChI: InChI=1S/C18H30O2SeSi/c1-4-22(5-2,6-3)16-12-18(13-19,14-20)17(16)21-15-10-8-7-9-11-15/h7-11,16-17,19-20H,4-6,12-14H2,1-3H3/t16-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)OC(=O)C6=CC(=CC=C6)C(F)(F)F)COC(=O)C7=CC=CC=C7
InChI: InChI=1S/C47H41F3N2O10/c1-57-36-20-16-33(17-21-36)46(32-13-7-4-8-14-32,34-18-22-37(58-2)23-19-34)60-27-25-39-38(29-59-43(54)30-10-5-3-6-11-30)41(42(61-39)52-26-24-40(53)51-45(52)56)62-44(55)31-12-9-15-35(28-31)47(48,49)50/h3-24,26,28,38-39,41-42H,25,27,29H2,1-2H3,(H,51,53,56)/t38-,39-,41-,42-/m1/s1
SMILES: C[C@]12CCC(=O)C([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3(C(=O)C[C@@H]4C5(CCC(=O)O5)C)C)C)O)(C)C
InChI: InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3/t14-,16-,17-,24-,25+,26?,27-/m0/s1
SMILES: C[C@H]1CO[C@]2(O1)[C@@]3([C@@]([C@@]3(C(=N2)N)C#N)(C)C4=CC=C(C=C4)C5=CC=CC=C5)C#N
InChI: InChI=1S/C23H20N4O2/c1-15-12-28-23(29-15)22(14-25)20(2,21(22,13-24)19(26)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12H2,1-2H3,(H2,26,27)/t15-,20-,21-,22+,23-/m0/s1
SMILES: CC(C)COC(=O)OC[C@H](C(C)C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(C)C)C(C)(C)C
InChI: InChI=1S/C33H55N5O8/c1-17(2)15-45-31(44)46-16-22(18(3)4)36-30(43)37-26(32(5,6)7)29(42)38-14-20-23(33(20,8)9)24(38)28(41)35-21(25(39)27(34)40)13-19-11-10-12-19/h17-24,26H,10-16H2,1-9H3,(H2,34,40)(H,35,41)(H2,36,37,43)/t20-,21?,22+,23-,24-,26+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)C4=COC5=CC(=C(C=C5C4=O)OC(=O)OCC(Cl)(Cl)Cl)OC(=O)OCC(Cl)(Cl)Cl)C(=O)O)CSC6=NN=NN6CC(=O)O
InChI: InChI=1S/C35H25Cl6N7O16S2/c36-34(37,38)11-61-32(58)63-19-5-16-18(6-20(19)64-33(59)62-12-35(39,40)41)60-8-17(25(16)52)26(53)42-22(13-1-3-15(49)4-2-13)27(54)43-23-28(55)48-24(30(56)57)14(9-65-29(23)48)10-66-31-44-45-46-47(31)7-21(50)51/h1-6,8,22-23,29,49H,7,9-12H2,(H,42,53)(H,43,54)(H,50,51)(H,56,57)/t22-,23-,29-/m1/s1
SMILES: CO[C@@H]1[C@@]2(CCC/C=C\C[C@H]2[C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4)O
InChI: InChI=1S/C20H26O5/c1-22-19-20(21)12-8-3-2-7-11-15(20)17-16(24-19)13-23-18(25-17)14-9-5-4-6-10-14/h2,4-7,9-10,15-19,21H,3,8,11-13H2,1H3/b7-2-/t15-,16+,17-,18+,19-,20-/m0/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C24H23N3O4/c1-13-5-10-17-16(12-13)24(23(30)25-17)20-19(18-4-3-11-26(18)24)21(28)27(22(20)29)14-6-8-15(31-2)9-7-14/h5-10,12,18-20H,3-4,11H2,1-2H3,(H,25,30)/p+1/t18-,19+,20-,24-/m0/s1
SMILES: C[C@@]12CCC[C@]([C@@]1(C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CC4=CC=CO4)O)(C)OC
InChI: InChI=1S/C21H31NO5/c1-19-7-5-8-20(2,25-3)21(19,24)10-15-16(18(23)27-17(15)11-19)13-22-12-14-6-4-9-26-14/h4,6,9,15-17,22,24H,5,7-8,10-13H2,1-3H3/p+1/t15-,16-,17+,19-,20-,21-/m0/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)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CSC6=NN=NN6C7=CC=CC=C7
InChI: InChI=1S/C43H44N6O6S2/c1-29-13-23-37(24-14-29)57(52,53)46-38(25-31-9-5-3-6-10-31)41(51)44-26-32-15-21-35(22-16-32)42-54-39(30(2)40(55-42)34-19-17-33(27-50)18-20-34)28-56-43-45-47-48-49(43)36-11-7-4-8-12-36/h3-24,30,38-40,42,46,50H,25-28H2,1-2H3,(H,44,51)/t30-,38-,39+,40+,42+/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])NCCOC3=CC=CC=C3
InChI: InChI=1S/C14H18N2O6/c17-16(18)22-12-9-21-13-11(8-20-14(12)13)15-6-7-19-10-4-2-1-3-5-10/h1-5,11-15H,6-9H2/t11-,12-,13+,14+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=CC=C(C=C9)N1CCOCC1
InChI: InChI=1S/C61H65N5O11/c1-39(2)50(56(69)74-3)63-59(72)65-47-27-22-40(28-31-60(73)29-14-4-5-15-30-60)38-46(47)61(58(65)71)49(55(68)62-43-23-25-44(26-24-43)64-32-35-75-36-33-64)52-57(70)77-53(42-18-10-7-11-19-42)51(41-16-8-6-9-17-41)66(52)54(61)45-20-12-13-21-48(45)76-37-34-67/h6-13,16-27,38-39,49-54,67,73H,4-5,14-15,29-30,32-37H2,1-3H3,(H,62,68)(H,63,72)/t49-,50-,51-,52-,53+,54+,61-/m0/s1