EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O
InChI: InChI=1S/C34H34O20/c35-9-19-23(43)26(46)30(52-32(48)12-5-16(40)22(42)17(41)6-12)33(50-19)54-31-27(47)24(44)20(10-36)51-34(31)53-29-25(45)21-15(39)7-14(38)8-18(21)49-28(29)11-1-3-13(37)4-2-11/h1-8,19-20,23-24,26-27,30-31,33-44,46-47H,9-10H2/t19-,20-,23-,24-,26+,27+,30-,31-,33+,34+/m1/s1
SMILES: CC(C)C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@@]3([NH2+]1)C4=C(C=CC(=C4)F)NC3=O
InChI: InChI=1S/C21H26FN3O3/c1-10(2)8-14-15-16(18(27)25(17(15)26)20(3,4)5)21(24-14)12-9-11(22)6-7-13(12)23-19(21)28/h6-7,9-10,14-16,24H,8H2,1-5H3,(H,23,28)/p+1/t14-,15+,16-,21-/m0/s1
SMILES: COC1=CC=CC=C1CC(=O)N2C[C@@H]3[C@]4(CC[C@@H]([C@@]3(C2)C(=O)NN)C5=CC=CC=C54)C6=CC=CC=C6
InChI: InChI=1S/C30H31N3O3/c1-36-25-14-8-5-9-20(25)17-27(34)33-18-26-29(21-10-3-2-4-11-21)16-15-24(22-12-6-7-13-23(22)29)30(26,19-33)28(35)32-31/h2-14,24,26H,15-19,31H2,1H3,(H,32,35)/t24-,26-,29-,30-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@@H](CCCN=C(N)N)N)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C31H46N8O6/c32-21(11-6-14-35-31(33)34)28(42)39-23-12-5-4-10-20(23)17-25(39)29(43)38-15-7-13-24(38)27(41)36-18-26(40)37-22(30(44)45)16-19-8-2-1-3-9-19/h1-3,8-9,20-25H,4-7,10-18,32H2,(H,36,41)(H,37,40)(H,44,45)(H4,33,34,35)/t20-,21+,22-,23-,24-,25-/m0/s1
SMILES: CCC1=C(SC(=C1C(=O)N)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C
InChI: InChI=1S/C16H22N2O4S/c1-3-9-8(2)23-15(12(9)13(17)19)18-14(20)10-6-4-5-7-11(10)16(21)22/h10-11H,3-7H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)/p-1/t10-,11+/m0/s1
SMILES: CC1[C@@H]([C@@H]1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H16O2/c1-12-15(17(19)13-8-4-2-5-9-13)16(12)18(20)14-10-6-3-7-11-14/h2-12,15-16H,1H3/t12?,15-,16+
SMILES: CC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C
InChI: InChI=1S/C16H23NO6/c1-8-4-5-11(9(2)6-8)22-16-13(17-10(3)19)15(21)14(20)12(7-18)23-16/h4-6,12-16,18,20-21H,7H2,1-3H3,(H,17,19)/t12-,13-,14-,15-,16-/m1/s1
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C([C@@H]5[NH+]4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC=CC=C7F
InChI: InChI=1S/C31H28FN3O/c32-25-8-4-3-7-24(25)26-27(29(36)30-14-19-11-20(15-30)13-21(12-19)16-30)35-10-9-22-5-1-2-6-23(22)28(35)31(26,17-33)18-34/h1-10,19-21,26-28H,11-16H2/p+1/t19?,20?,21?,26-,27+,28+,30?/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3C(=O)NC4=CC=C(C=C4)C(C)C)N(C1=O)C5=NC6=C(S5)C=C(C=C6)CO
InChI: InChI=1S/C30H35N5O4S/c1-17(2)20-7-9-21(10-8-20)31-29(39)33-13-4-5-24(33)28(38)34-14-12-23-26(34)18(3)27(37)35(23)30-32-22-11-6-19(16-36)15-25(22)40-30/h6-11,15,17-18,23-24,26,36H,4-5,12-14,16H2,1-3H3,(H,31,39)/t18-,23-,24-,26+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)N9CCOCC9)I)O
InChI: InChI=1S/C45H39IN2O7/c1-54-37-23-27(22-36(46)42(37)51)40-31-16-17-32-39(44(53)48(43(32)52)30-14-12-29(13-15-30)47-18-20-55-21-19-47)34(31)24-35-41(50)33(26-8-4-2-5-9-26)25-38(49)45(35,40)28-10-6-3-7-11-28/h2-16,22-23,25,32,34-35,39-40,51H,17-21,24H2,1H3/t32-,34+,35-,39-,40-,45-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@](O1)([C@@](C(=O)O2)(CC3=CC=CC=C3)O)O)O
InChI: InChI=1S/C13H14O6/c14-9-7-18-13(17)10(9)19-11(15)12(13,16)6-8-4-2-1-3-5-8/h1-5,9-10,14,16-17H,6-7H2/t9-,10+,12-,13-/m0/s1
SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)CC(O)P(=O)(O)O
InChI: InChI=1S/C10H20NO9P/c1-4(13)11-8-5(2-7(14)21(17,18)19)20-6(3-12)9(15)10(8)16/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6-,7?,8+,9-,10-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)Cl)OC(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19-/m0/s1
SMILES: CC(=CCC/C(=C/CC[C@@]1([C@H]([C@H]1C(=O)O)CO)C)/C)C
InChI: InChI=1S/C17H28O3/c1-12(2)7-5-8-13(3)9-6-10-17(4)14(11-18)15(17)16(19)20/h7,9,14-15,18H,5-6,8,10-11H2,1-4H3,(H,19,20)/b13-9+/t14-,15-,17+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CNCC4=C(C=CC(=C4)[N+](=O)[O-])O)C
InChI: InChI=1S/C27H36N2O3/c1-18(2)19-6-9-23-20(14-19)7-11-25-26(3,12-5-13-27(23,25)4)17-28-16-21-15-22(29(31)32)8-10-24(21)30/h6,8-10,14-15,18,25,28,30H,5,7,11-13,16-17H2,1-4H3/t25-,26-,27+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1C(=O)OC)CN3N=C(N=N3)SCC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H31N5O5S/c1-3-34-22(31)20-12-19-11-16(9-10-18(19)14-28(20)24(32)33-2)13-29-26-23(25-27-29)35-15-21(30)17-7-5-4-6-8-17/h4-8,16,18-20H,3,9-15H2,1-2H3/t16-,18-,19+,20-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=NC4CCCCC4)[Se])C
InChI: InChI=1S/C19H30NO6Se/c1-18(2)21-10-12(24-18)13-14(15-16(22-13)26-19(3,4)25-15)23-17(27)20-11-8-6-5-7-9-11/h11-16H,5-10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: C1=CC=C(C(=C1)[C@@H]2[C@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl)F
InChI: InChI=1S/C18H13ClF4N2O3/c19-10-7-5-9(6-8-10)15(26)13-14(11-3-1-2-4-12(11)20)24-16(27)25-17(13,28)18(21,22)23/h1-8,13-14,28H,(H2,24,25,27)/t13-,14+,17+/m0/s1
SMILES: C(C#CC1=C(N=NN1C[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)CO)O
InChI: InChI=1S/C12H18N4O5/c17-3-1-2-10-8(5-18)14-15-16(10)4-7-11(20)12(21)9(6-19)13-7/h7,9,11-13,17-21H,3-6H2/t7-,9-,11-,12-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(C)C(=O)C6=CC=C(C=C6)C#N)OCC=C
InChI: InChI=1S/C56H74N4O8/c1-4-6-7-8-9-10-11-12-13-19-32-58-55(64)67-45-30-31-50-48(37-45)52-46(25-18-21-34-62)44(24-17-20-33-61)36-47-49(59-66-40-42-22-15-14-16-23-42)38-51(56(68-50,53(47)52)65-35-5-2)60(3)54(63)43-28-26-41(39-57)27-29-43/h5,14-16,22-23,26-31,36-37,44,46,51-53,61-62H,2,4,6-13,17-21,24-25,32-35,38,40H2,1,3H3,(H,58,64)/t44-,46+,51-,52+,53+,56+/m0/s1
SMILES: CCCCCC[C@@H]1[C@@H]([C@H]([C@H](N(C(=O)N1CC2=CC(=CC=C2)C(=O)NC3=NC4=CC=CC=C4N3)CC5=CC(=CC=C5)C(=O)NC6=NC7=CC=CC=C7N6)CCCCCC)O)O
InChI: InChI=1S/C47H56N8O5/c1-3-5-7-9-25-39-41(56)42(57)40(26-10-8-6-4-2)55(30-32-18-16-20-34(28-32)44(59)53-46-50-37-23-13-14-24-38(37)51-46)47(60)54(39)29-31-17-15-19-33(27-31)43(58)52-45-48-35-21-11-12-22-36(35)49-45/h11-24,27-28,39-42,56-57H,3-10,25-26,29-30H2,1-2H3,(H2,48,49,52,58)(H2,50,51,53,59)/t39-,40-,41+,42+/m1/s1
SMILES: CC1=C(N2[C@@H]3CCCC[C@@H]3N=C2S1)C4=CC=C(C=C4)NC(=O)C(C)C
InChI: InChI=1S/C20H25N3OS/c1-12(2)19(24)21-15-10-8-14(9-11-15)18-13(3)25-20-22-16-6-4-5-7-17(16)23(18)20/h8-12,16-17H,4-7H2,1-3H3,(H,21,24)/t16-,17+/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)NC(=O)NCC4=CC=CC=C4)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C32H33N3O5S/c1-22-28(21-41-29-12-5-6-17-35(29)38)39-31(40-30(22)25-15-13-24(20-36)14-16-25)26-10-7-11-27(18-26)34-32(37)33-19-23-8-3-2-4-9-23/h2-18,22,28,30-31,36H,19-21H2,1H3,(H2,33,34,37)/t22-,28+,30+,31+/m0/s1
SMILES: CN1C2CCC1[C@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NCOC
InChI: InChI=1S/C17H22Cl2N2O2/c1-21-11-4-6-15(21)16(17(22)20-9-23-2)12(8-11)10-3-5-13(18)14(19)7-10/h3,5,7,11-12,15-16H,4,6,8-9H2,1-2H3,(H,20,22)/t11?,12-,15?,16+/m1/s1
SMILES: CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)[C@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C23H27NO6S/c1-3-29-15-11-9-14(10-12-15)18-13-31-21(19(18)23(28)30-4-2)24-20(25)16-7-5-6-8-17(16)22(26)27/h9-13,16-17H,3-8H2,1-2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=S)NC4=O)O)O)O)O
InChI: InChI=1S/C18H26N4O22P4S/c23-9-1-3-21(17(28)19-9)15-13(26)11(24)7(40-15)5-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-6-8-12(25)14(27)16(41-8)22-4-2-10(49)20-18(22)29/h1-4,7-8,11-16,24-27H,5-6H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,19,23,28)(H,20,29,49)/t7-,8-,11-,12-,13-,14-,15+,16+/m1/s1
SMILES: CCC[C@@H]1[C@H]([C@](C(=O)O1)(C)S(=O)(=O)C2=CC=CC=C2)CC(=O)OC
InChI: InChI=1S/C17H22O6S/c1-4-8-14-13(11-15(18)22-3)17(2,16(19)23-14)24(20,21)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8,11H2,1-3H3/t13-,14-,17+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CN3CCN(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/t15-,18-/m0/s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCCC4=CC(=C(C=C4)F)OC)O)N
InChI: InChI=1S/C20H24FN7O4/c1-23-19(30)16-13(22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-6-5-10-3-4-11(21)12(7-10)31-2/h3-4,7-9,13,15-16,20,29H,5-6,22H2,1-2H3,(H,23,30)(H,24,25,26)/t13-,15+,16-,20+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H](C(CO)O)O)C(=O)O)NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O11S/c1-9(23)19-15-11(6-14(18(26)27)32-17(15)16(25)13(24)7-22)20-33(30,31)8-10-4-2-3-5-12(10)21(28)29/h2-6,11,13,15-17,20,22,24-25H,7-8H2,1H3,(H,19,23)(H,26,27)/t11-,13?,15+,16+,17+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)N3C(=O)[C@@H]4[C@@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C31H22N2O3/c34-29(18-9-2-1-3-10-18)32-19-11-8-12-20(17-19)33-30(35)27-25-21-13-4-5-14-22(21)26(28(27)31(33)36)24-16-7-6-15-23(24)25/h1-17,25-28H,(H,32,34)/t25?,26?,27-,28-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](C(O1)[C@@H](C[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H](O3)OC(O5)(C)C)OC(O4)(C)C)OC(=O)C)OC(O2)(C)C
InChI: InChI=1S/C24H36O12/c1-10(25)27-12(14-16-18(34-23(5,6)32-16)20(30-14)28-11(2)26)9-13-15-17(33-22(3,4)31-15)19-21(29-13)36-24(7,8)35-19/h12-21H,9H2,1-8H3/t12-,13-,14?,15+,16-,17+,18-,19-,20-,21-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H21N5O5/c1-11-4-2-3-5-14(11)20-18(26)21-16(24)9-22-10-19-15-7-6-12(23(27)28)8-13(15)17(22)25/h6-8,10-11,14H,2-5,9H2,1H3,(H2,20,21,24,26)/t11-,14-/m0/s1
SMILES: CCOC(=O)N(C[C@H]1CCCO1)C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)C5=CC=CC=C5C6=CC=CC=C6)O)C)C)O
InChI: InChI=1S/C43H53NO6/c1-4-49-41(47)44(28-34-15-11-25-50-34)29-43(48)24-22-39-36-21-19-31(26-33(45)20-18-30(2)12-10-23-42(39,43)3)27-38(36)40(46)37-17-9-8-16-35(37)32-13-6-5-7-14-32/h5-9,12-14,16-17,19,21,27,33-34,39,45,48H,4,10-11,15,18,20,22-26,28-29H2,1-3H3/t33-,34+,39-,42-,43+/m0/s1
SMILES: COC1=C(C=C(C=C1)C[C@@H]2[C@H](C(=O)O[C@@H]2CO)CC3=CC=CC=C3)OC
InChI: InChI=1S/C21H24O5/c1-24-18-9-8-15(12-19(18)25-2)11-16-17(21(23)26-20(16)13-22)10-14-6-4-3-5-7-14/h3-9,12,16-17,20,22H,10-11,13H2,1-2H3/t16-,17-,20-/m1/s1
SMILES: CC1=C[C@@]2(CCC(=O)[C@@H]2[C@](C13CC3)(C)O)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H34O3Si/c1-14-12-19(13-23-24(6,7)17(2,3)4)9-8-15(21)16(19)18(5,22)20(14)10-11-20/h12,16,22H,8-11,13H2,1-7H3/t16-,18+,19+/m1/s1
SMILES: CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C19H28N2O5S/c1-4-20-27(24,25)16-10-8-15(9-11-16)19(23)26-12-18(22)21-17-7-5-6-13(2)14(17)3/h8-11,13-14,17,20H,4-7,12H2,1-3H3,(H,21,22)/t13-,14+,17-/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@H](C[C@H](O6)OCCCCO)C7=CC=CC=C7)OC)OC)OC)OC
InChI: InChI=1S/C45H58N2O8/c1-6-29-28-46-16-14-31-22-39(50-2)41(52-4)26-35(31)37(46)20-33(29)21-38-36-27-42(53-5)40(51-3)23-32(36)15-17-47(38)45(49)43-24-34(30-12-8-7-9-13-30)25-44(55-43)54-19-11-10-18-48/h7-9,12-13,22-24,26-27,29,33-34,37-38,44,48H,6,10-11,14-21,25,28H2,1-5H3/t29-,33+,34+,37-,38+,44-/m0/s1
SMILES: CCOC1=C(C=C(C=C1)C2=NN(N=N2)[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)O)Cl
InChI: InChI=1S/C32H44ClN7O7/c1-5-46-25-14-13-19(15-22(25)33)26-36-38-40(37-26)21-16-24-27(41)35-32(29(43)44)17-20(32)11-9-7-6-8-10-12-23(28(42)39(24)18-21)34-30(45)47-31(2,3)4/h13-15,20-21,23-24H,5-12,16-18H2,1-4H3,(H,34,45)(H,35,41)(H,43,44)/t20-,21-,23?,24+,32-/m1/s1
SMILES: C[C@]12CN(C(=O)[C@]1(N(C3=CC=CC=C23)C)[NH3+])C4CCCCC4
InChI: InChI=1S/C18H25N3O/c1-17-12-21(13-8-4-3-5-9-13)16(22)18(17,19)20(2)15-11-7-6-10-14(15)17/h6-7,10-11,13H,3-5,8-9,12,19H2,1-2H3/p+1/t17-,18-/m1/s1
SMILES: CCOC1=CC=C(C=C1)C(=O)N/N=C\C2=CC=C(O2)[C@@H]3C[C@@H]3C
InChI: InChI=1S/C18H20N2O3/c1-3-22-14-6-4-13(5-7-14)18(21)20-19-11-15-8-9-17(23-15)16-10-12(16)2/h4-9,11-12,16H,3,10H2,1-2H3,(H,20,21)/b19-11-/t12-,16+/m0/s1
SMILES: CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C15H14N4O.C10H13N5O4/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h2-3,6-8,10H,4-5H2,1H3,(H,18,20);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t;6-,7+,8+/m.0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)CCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC4=CC=C([C@H]1O[Si](C)(C)C(C)(C)C)C=C4
InChI: InChI=1S/C37H52O6Si2/c1-36(2,3)44(7,8)42-33-26-40-34(38)23-17-27-16-22-31(39-25-28-14-12-11-13-15-28)32(24-27)41-30-20-18-29(19-21-30)35(33)43-45(9,10)37(4,5)6/h11-16,18-22,24,33,35H,17,23,25-26H2,1-10H3/t33-,35-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3CC[C@H](C[C@H]3OC)CO
InChI: InChI=1S/C24H34O3Si/c1-24(2,3)28(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-22-16-15-19(18-25)17-23(22)26-4/h5-14,19,22-23,25H,15-18H2,1-4H3/t19-,22-,23-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1COCOC)C(=O)OCC=C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H37NO6Si/c1-10-11-28-21(25)19-16(12-27-13-26-7)14(2)18-17(20(24)23(18)19)15(3)29-30(8,9)22(4,5)6/h10,14-15,17-18H,1,11-13H2,2-9H3/t14-,15+,17+,18+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)C(=O)N[C@H](C)C6=CC=CC=C6)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC=C(S8)C)C
InChI: InChI=1S/C48H62N2O4S/c1-31-9-8-19-46(4)42(40-16-14-34(24-39(51)15-12-31)25-41(40)44(52)43-17-13-32(2)55-43)18-20-48(46,54)30-50(45(53)49-33(3)38-10-6-5-7-11-38)29-47-26-35-21-36(27-47)23-37(22-35)28-47/h5-7,9-11,13-14,16-17,25,33,35-37,39,42,51,54H,8,12,15,18-24,26-30H2,1-4H3,(H,49,53)/t33-,35?,36?,37?,39+,42+,46+,47?,48-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCN3C4=CC=CC=C4N=N3)[C@]5(C1=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC
InChI: InChI=1S/C57H50N6O10/c1-69-29-30-72-56(68)62-44-25-20-35(13-12-27-61-45-19-11-10-18-43(45)58-59-61)31-42(44)57(55(62)67)48(53(65)60-28-26-39-32-46(70-2)47(71-3)33-40(39)34-60)50-54(66)73-51(37-16-8-5-9-17-37)49(36-14-6-4-7-15-36)63(50)52(57)38-21-23-41(64)24-22-38/h4-11,14-25,31-33,48-52,64H,26-30,34H2,1-3H3/t48-,49-,50-,51+,52+,57-/m0/s1
SMILES: C1CC2=NC3=CC=CC=C3N([C@H]([C@@H]2C(=O)C1)C4=CC=CO4)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H20N2O3/c27-20-13-6-11-18-22(20)23(21-14-7-15-29-21)26(19-12-5-4-10-17(19)25-18)24(28)16-8-2-1-3-9-16/h1-5,7-10,12,14-15,22-23H,6,11,13H2/t22-,23-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H](C(=CO2)C(=O)OC)C[C@@H]3C4=CC(=C(C=C4CCN3CC5=CC=CC=C5)O)O)C=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C40H47NO15/c1-7-27-29(16-31-28-17-33(47)32(46)15-26(28)13-14-41(31)18-25-11-9-8-10-12-25)30(38(48)49-6)19-51-39(27)56-40-37(54-24(5)45)36(53-23(4)44)35(52-22(3)43)34(55-40)20-50-21(2)42/h7-12,15,17,19,27,29,31,34-37,39-40,46-47H,1,13-14,16,18,20H2,2-6H3/t27-,29+,31-,34-,35-,36+,37-,39+,40+/m1/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC(=O)[C@H]4CC=CC[C@@]4([C@H]3CC2)C
InChI: InChI=1S/C19H28O/c1-18-9-5-7-14(18)13-12-17(20)16-6-3-4-10-19(16,2)15(13)8-11-18/h3-4,13-16H,5-12H2,1-2H3/t13-,14-,15-,16+,18-,19+/m0/s1
SMILES: CCCCN1C(=O)[C@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)O
InChI: InChI=1S/C21H21BrN2O4/c1-2-3-11-23-20(26)17-18(15-12-13(22)9-10-16(15)25)24(28-19(17)21(23)27)14-7-5-4-6-8-14/h4-10,12,17-19,25H,2-3,11H2,1H3/t17-,18-,19+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SCC4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H24N2O4S2/c31-23(15-18-7-3-1-4-8-18)29-24-26(32)30-25(28(33)34)22(17-36-27(24)30)35-16-19-11-13-21(14-12-19)20-9-5-2-6-10-20/h1-14,24,27H,15-17H2,(H,29,31)(H,33,34)/t24-,27-/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)C4CC4
InChI: InChI=1S/C16H17ClN2O4S2/c1-23-13-5-4-10(17)6-11(13)19-12-7-25(21,22)8-14(12)24-16(19)18-15(20)9-2-3-9/h4-6,9,12,14H,2-3,7-8H2,1H3/t12-,14+/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(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CSC8=NN=C(S8)C
InChI: InChI=1S/C40H46N4O4S2/c1-24-35(23-49-39-44-43-25(2)50-39)47-37(48-36(24)32-8-6-26(22-45)7-9-32)33-12-10-31(11-13-33)34-5-3-4-27(17-34)21-41-38(46)42-40-18-28-14-29(19-40)16-30(15-28)20-40/h3-13,17,24,28-30,35-37,45H,14-16,18-23H2,1-2H3,(H2,41,42,46)/t24-,28?,29?,30?,35+,36+,37+,40?/m1/s1
SMILES: CCCCCCCCCC(=O)N1[C@H]([C@H](C1=O)O[Si](C)(C)C(C)(C)C)C2=CC=CO2
InChI: InChI=1S/C23H39NO4Si/c1-7-8-9-10-11-12-13-16-19(25)24-20(18-15-14-17-27-18)21(22(24)26)28-29(5,6)23(2,3)4/h14-15,17,20-21H,7-13,16H2,1-6H3/t20-,21+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NCC3=CC=C(C=C3)F
InChI: InChI=1S/C20H23FN2O5/c21-14-7-5-13(6-8-14)11-22-17(24)12-28-18(25)9-10-23-19(26)15-3-1-2-4-16(15)20(23)27/h5-8,15-16H,1-4,9-12H2,(H,22,24)/t15-,16-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C27H21BrClFN2O6/c1-27-17(24(35)31(26(27)37)12-3-6-19(30)18(29)9-12)10-15-13(22(27)16-8-11(28)2-7-20(16)33)4-5-14-21(15)25(36)32(38)23(14)34/h2-4,6-9,14-15,17,21-22,33,38H,5,10H2,1H3/t14-,15+,17-,21-,22+,27+/m0/s1
SMILES: CCC(CC)(CCCCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChI: InChI=1S/C31H52O3/c1-6-31(34,7-2)19-10-8-9-12-22(3)27-16-17-28-24(13-11-18-30(27,28)5)14-15-25-20-26(32)21-29(33)23(25)4/h14-15,22,26-29,32-34H,4,6-13,16-21H2,1-3,5H3/b24-14+,25-15-/t22-,26-,27-,28+,29+,30-/m1/s1
SMILES: C[C@@H]1CC2=C([C@H](CC(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C19H19NO6/c1-9-5-12-17(18(22)16(9)19(23)24-2)11(7-15(21)20-12)10-3-4-13-14(6-10)26-8-25-13/h3-4,6,9,11,16H,5,7-8H2,1-2H3,(H,20,21)/t9-,11-,16-/m1/s1
SMILES: CCCC/C=C/[C@@H]1C=C[C@@H]([C@@H]([C@@H]1O)COCC2=CC=C(C=C2)OC)COCC3=CC=C(C=C3)OC
InChI: InChI=1S/C30H40O5/c1-4-5-6-7-8-25-13-14-26(21-34-19-23-9-15-27(32-2)16-10-23)29(30(25)31)22-35-20-24-11-17-28(33-3)18-12-24/h7-18,25-26,29-31H,4-6,19-22H2,1-3H3/b8-7+/t25-,26-,29+,30-/m1/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@H]2C(=O)NC4=CC=CC(=C4)C(F)(F)F)C(=O)O3
InChI: InChI=1S/C16H14F3NO3/c17-16(18,19)8-2-1-3-9(6-8)20-14(21)12-7-4-10-11(5-7)23-15(22)13(10)12/h1-3,6-7,10-13H,4-5H2,(H,20,21)/t7-,10+,11-,12+,13+/m1/s1
SMILES: CC1([C@@H]2[C@@H](CC3=C(O2)C(=CC=C3)OC)C(=O)[C@@H]4[C@H]1OC5=C(C4)C=CC=C5OC)C
InChI: InChI=1S/C24H26O5/c1-24(2)22-15(11-13-7-5-9-17(26-3)20(13)28-22)19(25)16-12-14-8-6-10-18(27-4)21(14)29-23(16)24/h5-10,15-16,22-23H,11-12H2,1-4H3/t15-,16+,22-,23+
SMILES: CC(C)C12[C@@H]([C@@H]3[C@@]4(O3)[C@]5(CCC6=C(C5C[C@H]7[C@]4([C@@H]1OP(=O)(O2)O)O7)COC6=O)C)SC#N
InChI: InChI=1S/C21H24NO8PS/c1-9(2)19-15(32-8-22)14-21(28-14)18(3)5-4-10-11(7-26-16(10)23)12(18)6-13-20(21,27-13)17(19)29-31(24,25)30-19/h9,12-15,17H,4-7H2,1-3H3,(H,24,25)/t12?,13-,14+,15+,17+,18-,19?,20+,21+/m0/s1
SMILES: C1=NC2=C(NN=C2C(=N1)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C10H11ClN4O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)/t3-,7-,8-,9+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](C[C@@H](O1)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)NP(=O)(O2)N(CCCl)CCCl
InChI: InChI=1S/C31H35Cl2N2O11P/c1-14-30-18(34-47(42,46-30)35(9-7-32)10-8-33)11-21(44-14)45-20-13-31(41,15(2)36)12-17-23(20)29(40)25-24(27(17)38)26(37)16-5-4-6-19(43-3)22(16)28(25)39/h4-6,14,18,20-21,30,38,40-41H,7-13H2,1-3H3,(H,34,42)/t14-,18-,20-,21-,30+,31-,47?/m0/s1
SMILES: C1C[C@H]2[C@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C4=NC=C(S4)C5=CC6=CC=CC=C6OC5=O)C7=CC=CC=C7
InChI: InChI=1S/C32H25N3O2S/c36-31-26(19-23-14-7-8-17-27(23)37-31)28-20-33-32(38-28)35-30(22-12-5-2-6-13-22)25-16-9-15-24(29(25)34-35)18-21-10-3-1-4-11-21/h1-8,10-14,17-20,25,30H,9,15-16H2/b24-18+/t25-,30-/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)OCCOCC8=CC=CC=C8)OCC=C
InChI: InChI=1S/C56H65N3O9/c1-4-30-67-56-52(59(36-43-22-15-21-41-19-8-9-24-46(41)43)55(62)65-32-31-64-37-40-17-6-5-7-18-40)35-50(58-63-3)48-33-42(20-10-12-28-60)47(25-11-13-29-61)53(54(48)56)49-34-45(26-27-51(49)68-56)66-38-44-23-14-16-39(2)57-44/h4-9,14-19,21-24,26-27,33-34,42,47,52-54,60-61H,1,10-13,20,25,28-32,35-38H2,2-3H3/t42-,47+,52-,53+,54+,56+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@]2(C(C1)C[C@H](C3C2C[C@@H]([C@]4(C3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C
InChI: InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33?,34+,35-,36?,37?,38-,39+,42?,43+,44-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@]5([C@@]3(CCC(C5)OC(=O)C)C)NC(=S)O4)C
InChI: InChI=1S/C30H49NO3S/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26-30(31-27(35)34-26)17-21(33-20(4)32)12-15-29(30,6)25(22)13-14-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3,(H,31,35)/t19-,21?,22+,23-,24+,25+,26+,28-,29-,30-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@H](C(O3)OC)OC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5
InChI: InChI=1S/C37H40O7Si/c1-37(2,3)45(29-21-13-7-14-22-29,30-23-15-8-16-24-30)42-26-32-31(25-41-34(38)27-17-9-5-10-18-27)33(36(40-4)43-32)44-35(39)28-19-11-6-12-20-28/h5-24,31-33,36H,25-26H2,1-4H3/t31-,32-,33-,36?/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)NC(=O)NCC4=CC=CC=C4)CSC5=NC=CC=N5
InChI: InChI=1S/C31H32N4O4S/c1-21-27(20-40-31-32-16-5-17-33-31)38-29(39-28(21)24-10-8-23(19-36)9-11-24)25-12-14-26(15-13-25)35-30(37)34-18-22-6-3-2-4-7-22/h2-17,21,27-29,36H,18-20H2,1H3,(H2,34,35,37)/t21-,27+,28+,29+/m1/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=CC=C3F)C(=O)[C@H]([C@@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C22H24FNO5/c1-5-29-22(27)17-12(3)24-15-10-11(2)16(21(26)28-4)20(25)19(15)18(17)13-8-6-7-9-14(13)23/h6-9,11,16,18,24H,5,10H2,1-4H3/t11-,16+,18+/m1/s1
SMILES: C1CN(CC[NH+]1CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H22ClN3O2/c20-14-4-3-5-15(12-14)22-10-8-21(9-11-22)13-23-18(24)16-6-1-2-7-17(16)19(23)25/h1-5,12,16-17H,6-11,13H2/p+1/t16-,17-/m1/s1
SMILES: CC(CC(=O)/C=C/C1=CC=C(C=C1)OC)C(=O)[C@H]2C[C@@H]2[C@@H]([C@H]3CC=CC(=O)O3)O
InChI: InChI=1S/C23H26O6/c1-14(12-16(24)9-6-15-7-10-17(28-2)11-8-15)22(26)18-13-19(18)23(27)20-4-3-5-21(25)29-20/h3,5-11,14,18-20,23,27H,4,12-13H2,1-2H3/b9-6+/t14?,18-,19-,20+,23-/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)F)N3CCCC3=O)O)C
InChI: InChI=1S/C15H18FNO5S/c1-15(2)14(19)13(17-7-3-4-12(17)18)10-8-9(23(16,20)21)5-6-11(10)22-15/h5-6,8,13-14,19H,3-4,7H2,1-2H3/t13-,14+/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@H]([C@H](C(=O)N[C@H]2CCCCNC2=O)OC)O[Si](C)(C)C(C)(C)C)C=C)C
InChI: InChI=1S/C23H42N2O6Si/c1-10-16-17(30-23(5,6)29-16)18(31-32(8,9)22(2,3)4)19(28-7)21(27)25-15-13-11-12-14-24-20(15)26/h10,15-19H,1,11-14H2,2-9H3,(H,24,26)(H,25,27)/t15-,16+,17-,18+,19+/m0/s1
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@@H]3[C@@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)[O-]
InChI: InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/p-1/t13-,14+,17+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O
InChI: InChI=1S/C15H16O9/c1-5-11(18)13(20)14(21)15(23-5)24-9-4-22-8-3-6(16)2-7(17)10(8)12(9)19/h2-5,11,13-18,20-21H,1H3/t5-,11+,13+,14+,15-/m0/s1
SMILES: C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C22H22N2O6/c25-18(14-5-3-6-15(11-14)23-10-4-9-19(23)26)13-30-20(27)12-24-21(28)16-7-1-2-8-17(16)22(24)29/h1-3,5-6,11,16-17H,4,7-10,12-13H2/t16-,17-/m1/s1
SMILES: C1=C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)NC3=CC=C(C=C3)Br)C(=O)[O-]
InChI: InChI=1S/C14H12BrNO4/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/p-1/t9-,10+,11-,12+/m1/s1
SMILES: CCCC[C@H]1C[C@H]1C(=O)NC2=CC=C(C=C2)NC(=O)[C@@H]3C[C@@H]3CCCC
InChI: InChI=1S/C22H32N2O2/c1-3-5-7-15-13-19(15)21(25)23-17-9-11-18(12-10-17)24-22(26)20-14-16(20)8-6-4-2/h9-12,15-16,19-20H,3-8,13-14H2,1-2H3,(H,23,25)(H,24,26)/t15-,16-,19+,20+/m0/s1
SMILES: C[C@@]1([C@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=N2)N[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C13H22N2O9/c1-13(22)9-8(7(20)10(13)21)24-12(14-9)15-11-6(19)5(18)4(17)3(2-16)23-11/h3-11,16-22H,2H2,1H3,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1