EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=C(C=C7)C(=O)O)O
InChI: InChI=1S/C33H22BrCl2FN2O8/c34-14-1-10-23(40)21(11-14)26-18-8-9-20-25(28(43)38(27(20)42)17-6-7-19(29(44)45)24(41)12-17)22(18)13-32(35)30(46)39(31(47)33(26,32)36)16-4-2-15(37)3-5-16/h1-8,10-12,20,22,25-26,40-41H,9,13H2,(H,44,45)/t20-,22+,25-,26+,32+,33-/m0/s1
SMILES: CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H19N3O3S/c1-10(22-18(24)13-5-3-4-6-14(13)19(22)25)17(23)21-12-7-8-15-16(9-12)26-11(2)20-15/h3-4,7-10,13-14H,5-6H2,1-2H3,(H,21,23)/t10-,13-,14-/m0/s1
SMILES: CC(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)[C@H](C(=O)NCCC(=O)NCCCS(=O)(=O)C)O
InChI: InChI=1S/C23H40N7O18P3S/c1-23(2,18(33)21(34)26-7-5-14(31)25-6-4-8-52(3,42)43)10-45-51(40,41)48-50(38,39)44-9-13-17(47-49(35,36)37)16(32)22(46-13)30-12-29-15-19(24)27-11-28-20(15)30/h11-13,16-18,22,32-33H,4-10H2,1-3H3,(H,25,31)(H,26,34)(H,38,39)(H,40,41)(H2,24,27,28)(H2,35,36,37)/t13-,16-,17-,18+,22-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC(=C(C=C4)F)F)C
InChI: InChI=1S/C18H21F2NO6/c1-17(2)24-11-12(25-17)14-16(27-18(3,4)26-14)23-13(11)15(22)21-8-5-6-9(19)10(20)7-8/h5-7,11-14,16H,1-4H3,(H,21,22)/t11-,12-,13-,14-,16+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC(=NC4=C3C=CC=C4C(F)(F)F)C(F)(F)F)C(=O)O)Cl
InChI: InChI=1S/C20H12ClF6N3O5S/c21-9-6-36-17-14(16(32)30(17)15(9)18(33)34)29-12(31)5-35-10-4-11(20(25,26)27)28-13-7(10)2-1-3-8(13)19(22,23)24/h1-4,14,17H,5-6H2,(H,29,31)(H,33,34)/t14-,17-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](S1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)OCC=C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H35NO12S/c1-7-8-31-22-16(24-11(3)26)19(17(30)15(9-25)35-22)36-23-21(34-14(6)29)20(33-13(5)28)18(10(2)37-23)32-12(4)27/h7,10,15-23,25,30H,1,8-9H2,2-6H3,(H,24,26)/t10-,15+,16+,17+,18+,19+,20+,21-,22+,23-/m0/s1
SMILES: CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)C
InChI: InChI=1S/C22H26N2O5/c1-11-6-12(2)8-16(7-11)23-17(25)10-29-22(28)13(3)24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h6-8,13-15,18-19H,4-5,9-10H2,1-3H3,(H,23,25)/t13-,14-,15+,18-,19+/m1/s1
SMILES: C[C@]12CCC[C@@H]([C@@H]1[C@@H](C[C@@H]3[C@@]24CCC5([C@H](C3)C4)OCCO5)O)C#N
InChI: InChI=1S/C20H29NO3/c1-18-4-2-3-13(12-21)17(18)16(22)10-14-9-15-11-19(14,18)5-6-20(15)23-7-8-24-20/h13-17,22H,2-11H2,1H3/t13-,14-,15-,16-,17-,18+,19+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@H]([C@H]1CCC2=O)CCC4=CC(=O)CC[C@]34C=O
InChI: InChI=1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15+,16-,18+,19+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[C@@]14C[C@@H]4C(=O)O
InChI: InChI=1S/C13H18O2/c1-6-10-7-2-3-8(4-7)11(10)13(6)5-9(13)12(14)15/h6-11H,2-5H2,1H3,(H,14,15)/t6-,7-,8+,9-,10+,11+,13+/m1/s1
SMILES: C[C@H]1C[C@@]([C@@H](C[NH+]1C)C)(CC[NH3+])C2=CC=C(C=C2)OC
InChI: InChI=1S/C17H28N2O/c1-13-12-19(3)14(2)11-17(13,9-10-18)15-5-7-16(20-4)8-6-15/h5-8,13-14H,9-12,18H2,1-4H3/p+2/t13-,14+,17-/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C
InChI: InChI=1S/C21H29NO5/c1-13(2)18-10-5-14(3)11-19(18)27-20(24)12-26-21(25)16-6-8-17(9-7-16)22-15(4)23/h6-9,13-14,18-19H,5,10-12H2,1-4H3,(H,22,23)/t14-,18-,19+/m0/s1
SMILES: CCC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)O)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C31H42O12/c1-8-16(2)26(36)39-15-30-24(41-18(4)33)20(40-17(3)32)14-29(7,38)31(30)23(35)21(28(5,6)43-31)22(34)25(30)42-27(37)19-12-10-9-11-13-19/h9-13,16,20-25,34-35,38H,8,14-15H2,1-7H3/t16?,20-,21+,22-,23+,24-,25+,29-,30-,31-/m0/s1
SMILES: CN[C@H]1CN(C[C@@H]1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)CC5=NC=CN5
InChI: InChI=1S/C21H23N7O2S/c1-22-15-11-27(12-16(15)30-2)18-4-3-14-19(29)13(9-17-23-5-6-24-17)10-28(20(14)26-18)21-25-7-8-31-21/h3-8,10,15-16,22H,9,11-12H2,1-2H3,(H,23,24)/t15-,16-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=NC4=C(C3=O)N=C(N4[C@H]5[C@H]6[C@@H]([C@H](O5)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)OC(O6)(C)C)Br)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C48H59BrN4O9Si/c1-45(2,3)63(9,10)57-26-29-25-34(38-37(29)59-46(4,5)60-38)52-28-50-41-36(42(52)54)51-44(49)53(41)43-40-39(61-47(6,7)62-40)35(58-43)27-56-48(30-17-13-11-14-18-30,31-19-15-12-16-20-31)32-21-23-33(55-8)24-22-32/h11-24,28-29,34-35,37-40,43H,25-27H2,1-10H3/t29-,34-,35-,37-,38+,39-,40-,43-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H]4CS(=O)(=O)C[C@H]4O)C
InChI: InChI=1S/C20H20N2O4S2/c1-12-7-8-14(9-13(12)2)22-19(24)15-5-3-4-6-16(15)21-20(22)27-18-11-28(25,26)10-17(18)23/h3-9,17-18,23H,10-11H2,1-2H3/t17-,18-/m1/s1
SMILES: C[C@@H]1[C@H](N(C2=C(C3C(C(C(C12)C3(O)O)C)C4=CC=C(C=C4)Cl)OC)S(=O)(=O)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C31H31Cl2NO5S/c1-17-24(19-9-13-21(32)14-10-19)27-30(39-3)29-25(26(17)31(27,35)36)18(2)28(20-11-15-22(33)16-12-20)34(29)40(37,38)23-7-5-4-6-8-23/h4-18,24-28,35-36H,1-3H3/t17?,18-,24?,25?,26?,27?,28-/m0/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC(=C(C=C3)OC)OC)(C)C(=O)OCC
InChI: InChI=1S/C20H26N2O6/c1-6-22-17(23)14-15(18(22)24)20(3,19(25)28-7-2)21-16(14)11-8-9-12(26-4)13(10-11)27-5/h8-10,14-16,21H,6-7H2,1-5H3/t14-,15+,16+,20-/m1/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)OC(=O)C)O)[O-]
InChI: InChI=1S/C23H35NO9/c1-8-14(2)20(26)32-18-10-12-24(29)11-9-17(19(18)24)13-31-21(27)23(28,15(3)30-7)22(5,6)33-16(4)25/h8-9,15,18-19,28H,10-13H2,1-7H3/b14-8-/t15?,18-,19+,23?,24?/m0/s1
SMILES: C[C@@]12C3=CC=CC=C3C=N[C@@]1(C2(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C29H23N/c1-27-26-20-12-11-13-22(26)21-30-29(27,25-18-9-4-10-19-25)28(27,23-14-5-2-6-15-23)24-16-7-3-8-17-24/h2-21H,1H3/t27-,29-/m0/s1
SMILES: C[C@]12CCC=C3[C@H]1[C@H]2C(=O)[C@H](CC3)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H34O2Si/c1-19(2,3)23(5,6)22-13-11-15-10-9-14-8-7-12-20(4)16(14)17(20)18(15)21/h8,15-17H,7,9-13H2,1-6H3/t15-,16+,17+,20+/m1/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CN=CC=C5
InChI: InChI=1S/C23H19N3O3/c27-22-19-20(17-10-7-13-24-14-17)26(18-11-5-2-6-12-18)29-21(19)23(28)25(22)15-16-8-3-1-4-9-16/h1-14,19-21H,15H2/t19-,20-,21+/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4O3)C5=CC=CC=C5OC)C
InChI: InChI=1S/C24H24N4O3/c1-24(2)12-16-20(17(29)13-24)21(14-8-4-6-10-18(14)30-3)27-22(25-16)28-23-26-15-9-5-7-11-19(15)31-23/h4-12,20-21H,13H2,1-3H3,(H2,25,26,27,28)/t20-,21-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)N=[N+]=[N-]
InChI: InChI=1S/C22H28N4O3Si/c1-22(2,3)30(5,6)29-20-19(15-7-9-16(10-8-15)24-25-23)26(21(20)27)17-11-13-18(28-4)14-12-17/h7-14,19-20H,1-6H3/t19-,20+/m0/s1
SMILES: C1[C@H]2[C@H](CN([C@@H]2COC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OC1=O
InChI: InChI=1S/C21H21NO5/c23-20-11-17-18(14-25-21(24)16-9-5-2-6-10-16)22(12-19(17)27-20)26-13-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2/t17-,18-,19+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CCC[NH+]4[C@H]([C@H]3C2=O)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C23H22N2O3/c1-14-9-11-16(12-10-14)25-22(27)18-17-8-5-13-24(17)20(19(18)23(25)28)21(26)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3/p+1/t17-,18-,19-,20+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@@H](O1)O[C@](O4)(CC3)C)C)C
InChI: InChI=1S/C17H28O4/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15+,16-,17-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@]23C(CC(=O)[C@]2(C4=C(O3)C=C(C=C4OC)OC)O)C5=CC=CC=C5
InChI: InChI=1S/C26H24O6/c1-29-18-11-9-17(10-12-18)26-20(16-7-5-4-6-8-16)15-23(27)25(26,28)24-21(31-3)13-19(30-2)14-22(24)32-26/h4-14,20,28H,15H2,1-3H3/t20?,25-,26+/m1/s1
SMILES: C1CC2=C(C=CC(=C2)OC(=O)NCCCN3CCOCC3)[C@]4([C@H]1C[C@](CC4)(C(F)(F)F)O)CC5=CC=CC=C5
InChI: InChI=1S/C30H37F3N2O4/c31-30(32,33)29(37)12-11-28(20-22-5-2-1-3-6-22)24(21-29)8-7-23-19-25(9-10-26(23)28)39-27(36)34-13-4-14-35-15-17-38-18-16-35/h1-3,5-6,9-10,19,24,37H,4,7-8,11-18,20-21H2,(H,34,36)/t24-,28+,29-/m1/s1
SMILES: CC(=O)OC[C@H]([C@]1([C@]2(O1)[C@](O2)(C)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C)OC(=O)C
InChI: InChI=1S/C27H34O6Si/c1-19(28)30-18-23(31-20(2)29)25(6)27(32-25)26(7,33-27)34(24(3,4)5,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,23H,18H2,1-7H3/t23-,25+,26+,27-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C[C@@H]2NC4=CC(=CC=C4)Br)Br)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C26H31Br2NO/c1-26-11-10-22-21-9-7-20(30-2)12-16(21)6-8-23(22)24(26)14-18(28)15-25(26)29-19-5-3-4-17(27)13-19/h3-5,7,9,12-13,18,22-25,29H,6,8,10-11,14-15H2,1-2H3/t18-,22+,23+,24-,25-,26-/m0/s1
SMILES: C[C@H]1C[C@@H](O[C@H]1[C@@H](C)COCC2=CC=CC=C2)[C@H](CO)O
InChI: InChI=1S/C17H26O4/c1-12-8-16(15(19)9-18)21-17(12)13(2)10-20-11-14-6-4-3-5-7-14/h3-7,12-13,15-19H,8-11H2,1-2H3/t12-,13-,15-,16+,17+/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC=C2CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC7(O6)CC8=CC=CC=C8C7)C(=O)N9CCC[C@@H]9C(=O)NCCO)C
InChI: InChI=1S/C41H45N3O12/c1-39(2)22-51-37(49)34(39)53-29(46)14-13-23-8-3-6-11-26(23)21-44-32-36(48)52-28-20-41(32,38(50)43-16-7-12-27(43)35(47)42-15-17-45)33(56-44)31-30(28)54-40(55-31)18-24-9-4-5-10-25(24)19-40/h3-6,8-11,13-14,27-28,30-34,45H,7,12,15-22H2,1-2H3,(H,42,47)/t27-,28-,30+,31+,32+,33-,34+,41+/m1/s1
SMILES: CC(=C)[C@H]1CC[C@H]2CC[C@@H]3[C@H]4C(=O)CCC[C@]4(CC[C@]3([C@@H]2C1)C)C
InChI: InChI=1S/C23H36O/c1-15(2)17-8-7-16-9-10-18-21-20(24)6-5-11-22(21,3)12-13-23(18,4)19(16)14-17/h16-19,21H,1,5-14H2,2-4H3/t16-,17-,18+,19+,21-,22-,23+/m0/s1
SMILES: C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCCC(=O)O)O
InChI: InChI=1S/C13H21NO6S/c1-6(2)9(17)13(10(18)7(3)11(19)14-13)12(20)21-5-4-8(15)16/h6-7,9-10,17-18H,4-5H2,1-3H3,(H,14,19)(H,15,16)/t7-,9+,10+,13-/m1/s1
SMILES: C1=C(N(C=C(C1=O)O)O)CO/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@@H](N(C3=O)S(=O)(=O)O)COC(=O)N
InChI: InChI=1S/C16H17N7O11S2/c17-15-19-7(5-35-15)11(21-34-3-6-1-9(24)10(25)2-22(6)29)13(26)20-12-8(4-33-16(18)28)23(14(12)27)36(30,31)32/h1-2,5,8,12,25,29H,3-4H2,(H2,17,19)(H2,18,28)(H,20,26)(H,30,31,32)/b21-11-/t8-,12-/m0/s1
SMILES: COC1=CC(=C(C=C1[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4F)ON2C5=CC=CC=C5)OC)OC
InChI: InChI=1S/C26H23FN2O6/c1-32-19-14-21(34-3)20(33-2)13-16(19)23-22-24(35-29(23)15-9-5-4-6-10-15)26(31)28(25(22)30)18-12-8-7-11-17(18)27/h4-14,22-24H,1-3H3/t22-,23-,24+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H](C=C[C@H](O1)OC)OCC#CC2(C(=C(C2=O)C=C)OC)O
InChI: InChI=1S/C26H40O7Si/c1-10-20-24(27)26(28,25(20)30-9)14-11-15-31-21-12-13-23(29-8)33-22(21)16-32-34(17(2)3,18(4)5)19(6)7/h10,12-13,17-19,21-23,28H,1,15-16H2,2-9H3/t21-,22+,23-,26?/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)OCC=C)C2=CC3=C(C=C2)OCO3)CCOCCOCCO
InChI: InChI=1S/C24H32O9/c1-3-9-30-23(26)22-15-19(17-5-6-20-21(14-17)32-16-31-20)18(24(33-22)29-4-2)7-10-27-12-13-28-11-8-25/h3,5-6,14-15,18-19,24-25H,1,4,7-13,16H2,2H3/t18-,19+,24+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC
InChI: InChI=1S/C20H27NO3S/c1-14-5-4-6-18(15(14)2)21-19(22)13-24-20(23)12-9-16-7-10-17(25-3)11-8-16/h7-12,14-15,18H,4-6,13H2,1-3H3,(H,21,22)/b12-9+/t14-,15+,18-/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)C3[C@@H]4[C@@H]([C@@H]([C@H](C3C2=O)O4)O)O
InChI: InChI=1S/C14H13NO5/c16-9-10(17)12-8-7(11(9)20-12)13(18)15(14(8)19)6-4-2-1-3-5-6/h1-5,7-12,16-17H/t7?,8?,9-,10+,11-,12+
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)COC[C@@H]3[C@H]([C@H]4[C@@H](O3)N5C=CC(=O)N=C5O4)O
InChI: InChI=1S/C23H22N2O6/c26-19-10-11-25-22-21(31-23(25)24-19)20(27)18(30-22)14-28-12-16-6-8-17(9-7-16)29-13-15-4-2-1-3-5-15/h1-11,18,20-22,27H,12-14H2/t18-,20-,21+,22-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C(=NN=N3)OC4=CC=CC=C4)NC(=S)NC5=CC=C(C=C5)F
InChI: InChI=1S/C20H19FN6O3S/c21-12-6-8-13(9-7-12)22-19(31)23-15-10-28-18-16(11-29-17(15)18)27-20(24-25-26-27)30-14-4-2-1-3-5-14/h1-9,15-18H,10-11H2,(H2,22,23,31)/t15-,16-,17+,18+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCC8=CC=C(C=C8)O)O
InChI: InChI=1S/C41H35ClFN3O7/c1-53-28-14-15-30(34(48)20-28)36-29-16-17-31-35(39(51)45(37(31)49)19-18-22-2-12-27(47)13-3-22)32(29)21-33-38(50)46(44-26-10-8-25(43)9-11-26)40(52)41(33,36)23-4-6-24(42)7-5-23/h2-16,20,31-33,35-36,44,47-48H,17-19,21H2,1H3/t31-,32+,33-,35-,36+,41+/m0/s1
SMILES: CC(=CCN1C(NC2=C1C(=O)N(C(=O)N2C)C)N[C@@H]3CCCC[C@H]3N)C
InChI: InChI=1S/C18H30N6O2/c1-11(2)9-10-24-14-15(22(3)18(26)23(4)16(14)25)21-17(24)20-13-8-6-5-7-12(13)19/h9,12-13,17,20-21H,5-8,10,19H2,1-4H3/t12-,13-,17?/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H](C/C=C/C=C(/C#N)\[C@@H]([C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@H](CC=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1CCC[C@H]1C(=O)OCC[Si](C)(C)C
InChI: InChI=1S/C52H101NO5Si4/c1-22-29-47(56-60(18,19)51(9,10)11)42(7)37-40(5)36-41(6)38-43(8)49(58-61(20,21)52(12,13)14)44(39-53)30-26-27-33-48(57-62(23-2,24-3)25-4)45-31-28-32-46(45)50(54)55-34-35-59(15,16)17/h22,26-27,30,40-43,45-49H,1,23-25,28-29,31-38H2,2-21H3/b27-26+,44-30-/t40-,41+,42-,43-,45+,46+,47-,48-,49+/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)CSC5=CC=CC=N5
InChI: InChI=1S/C33H34N2O4S/c1-22-30(21-40-31-11-3-4-16-34-31)38-33(39-32(22)26-14-12-24(20-36)13-15-26)29-10-6-9-28(18-29)27-8-5-7-25(17-27)19-35-23(2)37/h3-18,22,30,32-33,36H,19-21H2,1-2H3,(H,35,37)/t22-,30+,32+,33+/m1/s1
SMILES: C1C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]1C2(N=NC43C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C12H12F6N2/c13-11(14,15)9-5-1-2-6(9)8-4-3-7(5)10(8,20-19-9)12(16,17)18/h5-8H,1-4H2/t5-,6-,7-,8+,9?,10?/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)C7=CC=C(C=C7)I)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C37H27ClFIN2O5/c1-37-27(34(45)42(36(37)47)21-11-15-29(39)28(38)16-21)17-26-23(31(37)25-12-6-18-4-2-3-5-22(18)32(25)43)13-14-24-30(26)35(46)41(33(24)44)20-9-7-19(40)8-10-20/h2-13,15-16,24,26-27,30-31,43H,14,17H2,1H3/t24-,26+,27-,30-,31+,37+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)COC2=CC(=CC=C2)Br
InChI: InChI=1S/C17H24BrN3O2S/c1-11-5-3-8-15(12(11)2)19-17(24)21-20-16(22)10-23-14-7-4-6-13(18)9-14/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H,20,22)(H2,19,21,24)/t11-,12-,15+/m1/s1
SMILES: CC(C)([C@@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC#C)OC)O
InChI: InChI=1S/C25H31NO4/c1-5-11-26-12-10-24-19-15-6-7-16(27)20(19)30-21(24)25(29-4)9-8-23(24,18(26)13-15)14-17(25)22(2,3)28/h1,6-7,17-18,21,27-28H,8-14H2,2-4H3/t17-,18+,21+,23+,24-,25+/m0/s1
SMILES: CCCC[C@H]([C@@H]1C[C@H](C[C@H]1N=C(N)N)C(=O)O)NC(=O)C
InChI: InChI=1S/C14H26N4O3/c1-3-4-5-11(17-8(2)19)10-6-9(13(20)21)7-12(10)18-14(15)16/h9-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t9-,10+,11-,12-/m1/s1
SMILES: C[C@@H]1CC2=NC(=C([C@H](C2C(=O)[C@H]1C(=O)OC)C3=CC=C(O3)C)C(=O)OC(C)C)C
InChI: InChI=1S/C22H27NO6/c1-10(2)28-22(26)17-13(5)23-14-9-11(3)16(21(25)27-6)20(24)18(14)19(17)15-8-7-12(4)29-15/h7-8,10-11,16,18-19H,9H2,1-6H3/t11-,16+,18?,19-/m1/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@@H](C=CO2)OCC3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C21H32O4Si/c1-20(2,3)26(21(4,5)6)24-15-18-19(25-26)17(12-13-22-18)23-14-16-10-8-7-9-11-16/h7-13,17-19H,14-15H2,1-6H3/t17-,18-,19+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]3[C@]1([C@@H](C=C([C@H]3O)COC(=O)C)C(CCC2C)C(C)C)O
InChI: InChI=1S/C22H36O4/c1-12(2)17-8-6-13(3)18-9-7-14(4)22(25)19(17)10-16(11-26-15(5)23)21(24)20(18)22/h10,12-14,17-21,24-25H,6-9,11H2,1-5H3/t13?,14-,17?,18+,19+,20+,21-,22+/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)NC1=O)C(=O)[C@@H](C(C)C)NC(=O)C[C@H](C2=CC=CC=C2)NC(=O)/C=C/C3=CC=NC=C3
InChI: InChI=1S/C27H30N4O5/c1-16(2)24(25(34)23-17(3)26(35)31-27(23)36)30-22(33)15-20(19-7-5-4-6-8-19)29-21(32)10-9-18-11-13-28-14-12-18/h4-14,16-17,20,23-24H,15H2,1-3H3,(H,29,32)(H,30,33)(H,31,35,36)/b10-9+/t17-,20+,23+,24+/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)NC(=O)NC45CC6CC(C4)CC(C6)C5)CN7CC8(CC7CC(C8)(C)C)C
InChI: InChI=1S/C40H55N3O4/c1-25-34(21-43-24-39(4)20-33(43)19-38(2,3)23-39)46-36(47-35(25)30-7-5-26(22-44)6-8-30)31-9-11-32(12-10-31)41-37(45)42-40-16-27-13-28(17-40)15-29(14-27)18-40/h5-12,25,27-29,33-36,44H,13-24H2,1-4H3,(H2,41,42,45)/t25-,27?,28?,29?,33?,34+,35+,36+,39?,40?/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)Cl
InChI: InChI=1S/C35H37Cl2N3O7/c1-38-32(44)34(36)17-24-22(29(35(34,37)33(38)45)28-25(46-2)15-21(41)16-26(28)47-3)9-10-23-27(24)31(43)40(30(23)42)20-11-13-39(14-12-20)18-19-7-5-4-6-8-19/h4-9,15-16,20,23-24,27,29,41H,10-14,17-18H2,1-3H3/t23-,24+,27-,29+,34+,35-/m0/s1
SMILES: CC1=CC(=C(C2=C1CC[C@@H]([C@H]2O)[C@H](C)C(=O)N3CCCC3)C)OCC4=CN=CC=C4
InChI: InChI=1S/C25H32N2O3/c1-16-13-22(30-15-19-7-6-10-26-14-19)18(3)23-20(16)8-9-21(24(23)28)17(2)25(29)27-11-4-5-12-27/h6-7,10,13-14,17,21,24,28H,4-5,8-9,11-12,15H2,1-3H3/t17-,21+,24+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@]2(CCC[C@@]3([C@H]2CCC(=C)[C@H]3CCC4=CCOC4=O)C)C)O)O)O
InChI: InChI=1S/C28H42O9/c1-16-6-9-21-27(3,11-5-12-28(21,4)19(16)8-7-18-10-13-34-25(18)33)15-36-26-24(32)23(31)22(30)20(37-26)14-35-17(2)29/h10,19-24,26,30-32H,1,5-9,11-15H2,2-4H3/t19-,20-,21+,22-,23+,24-,26-,27+,28+/m1/s1
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1C4=CCC(=O)N5[C@@H]4[C@]3(C[C@@H]2[C@H]6[C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N(C6=O)C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C15
InChI: InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-11,13,25-26,31-33,35-39H,12,14-21H2,1H3/b22-2-/t25-,26-,31+,32-,33-,35-,36-,37+,38-,39-,41+,42+/m0/s1
SMILES: CCN1C(=O)N(C(=O)C12CCN(CC2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C(=O)C5(CCC5)C(F)(F)F)CC6=CC=C(C=C6)S(=O)(=O)C.Cl
InChI: InChI=1S/C34H41F3N4O5S.ClH/c1-3-41-31(44)40(20-24-10-12-27(13-11-24)47(2,45)46)30(43)33(41)16-18-38(19-17-33)21-26-22-39(23-28(26)25-8-5-4-6-9-25)29(42)32(14-7-15-32)34(35,36)37;/h4-6,8-13,26,28H,3,7,14-23H2,1-2H3;1H/t26-,28+;/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)CN5C(=O)CC(C5=O)NC(=O)OCC6=CC=CC=C6)CSC7=NC=CN7C
InChI: InChI=1S/C42H42N4O7S/c1-27-36(26-54-41-43-18-19-45(41)2)52-40(53-38(27)31-16-14-28(24-47)15-17-31)34-13-7-12-33(21-34)32-11-6-10-30(20-32)23-46-37(48)22-35(39(46)49)44-42(50)51-25-29-8-4-3-5-9-29/h3-21,27,35-36,38,40,47H,22-26H2,1-2H3,(H,44,50)/t27-,35?,36+,38+,40+/m1/s1
SMILES: CCC1([C@@H]([C@H]([NH2+][C@@H]([C@@H]1C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C)O
InChI: InChI=1S/C25H37N3O/c1-8-25(29)17(2)23(19-9-13-21(14-10-19)27(4)5)26-24(18(25)3)20-11-15-22(16-12-20)28(6)7/h9-18,23-24,26,29H,8H2,1-7H3/p+1/t17-,18+,23-,24-,25?/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@](C[C@H]([C@@H](C2(C)C)Cl)Cl)([C@H](C1=C)C[C@@H]([C@H]3CC(=O)NC3=O)O)C
InChI: InChI=1S/C22H31Cl2NO5/c1-10-13(7-15(27)12-6-18(28)25-20(12)29)22(5)9-14(23)19(24)21(3,4)17(22)8-16(10)30-11(2)26/h12-17,19,27H,1,6-9H2,2-5H3,(H,25,28,29)/t12-,13+,14-,15+,16+,17+,19+,22-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N(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=C7C8=CC=CC=C8)C)O)CC91CC2CC(C9)CC(C2)C1
InChI: InChI=1S/C55H66N2O4/c1-36(40-12-6-4-7-13-40)56-49(60)57(34-52-29-37-26-38(30-52)28-39(27-37)31-52)35-54(61)23-20-47-51(54,3)22-19-46-50(2)21-18-42(58)32-53(50)24-25-55(46,47)45(33-53)48(59)44-17-11-10-16-43(44)41-14-8-5-9-15-41/h4-17,24-25,33,36-39,42,46-47,58,61H,18-23,26-32,34-35H2,1-3H3,(H,56,60)/t36-,37?,38?,39?,42?,46-,47-,50-,51+,52?,53+,54-,55-/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)CC=C
InChI: InChI=1S/C19H21N5O5/c1-3-4-16-21-22-23-24(16)14-9-27-18-15(10-28-17(14)18)29-19(26)20-13-7-5-12(6-8-13)11(2)25/h3,5-8,14-15,17-18H,1,4,9-10H2,2H3,(H,20,26)/t14-,15+,17+,18+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H]([NH+]4C=CC5=CC=CC=C5[C@H]4[C@H]3C2=O)C#N)C
InChI: InChI=1S/C23H19N3O2/c1-13-7-8-16(11-14(13)2)26-22(27)19-18(12-24)25-10-9-15-5-3-4-6-17(15)21(25)20(19)23(26)28/h3-11,18-21H,1-2H3/p+1/t18-,19+,20+,21+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](C(=NO2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H19NO3/c1-26-19-14-12-18(13-15-19)23-20(22(25)17-10-6-3-7-11-17)21(24-27-23)16-8-4-2-5-9-16/h2-15,20,23H,1H3/t20-,23-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C16H15NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h3-6,9-10,12-13H,1-2,7H2,(H,20,21)/p-1/t9-,10+,12-,13-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)CO)OC(=O)[C@@H](CC=CC[C@H](C(=O)O2)CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C36H38O9/c1-41-36-32(45-33(38)26-17-9-4-10-18-26)31-30(29(23-37)42-36)43-34(39)27(21-24-13-5-2-6-14-24)19-11-12-20-28(35(40)44-31)22-25-15-7-3-8-16-25/h2-18,27-32,36-37H,19-23H2,1H3/t27-,28-,29+,30-,31-,32+,36-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)C[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)O)OCC8=CC=CC=C8
InChI: InChI=1S/C49H50N2O10/c52-42-26-27-51(48(56)50-42)47-43(53)38(40(61-47)31-57-29-33-16-6-1-7-17-33)28-39-46(58-30-34-18-8-2-9-19-34)45(55)44(54)41(60-39)32-59-49(35-20-10-3-11-21-35,36-22-12-4-13-23-36)37-24-14-5-15-25-37/h1-27,38-41,43-47,53-55H,28-32H2,(H,50,52,56)/t38-,39-,40-,41-,43-,44-,45+,46+,47-/m1/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@@H]3C(=O)N(C4=O)NC(=O)C5=CC=CC=C5Cl
InChI: InChI=1S/C18H15ClN2O3/c19-12-4-2-1-3-9(12)15(22)20-21-16(23)13-10-5-6-11(14(13)17(21)24)18(10)7-8-18/h1-6,10-11,13-14H,7-8H2,(H,20,22)/t10-,11+,13-,14+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CSC2=CC=CC=C2F
InChI: InChI=1S/C18H24FNO3S/c1-12-6-5-8-15(13(12)2)20-17(21)10-23-18(22)11-24-16-9-4-3-7-14(16)19/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,20,21)/t12-,13-,15+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=CC=CC=C3C=C2)OC(=O)C)OC(=O)C)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
InChI: InChI=1S/C36H42O18/c1-17(37)44-15-27-29(46-19(3)39)31(47-20(4)40)34(50-23(7)43)36(53-27)54-30-28(16-45-18(2)38)52-35(33(49-22(6)42)32(30)48-21(5)41)51-26-13-12-24-10-8-9-11-25(24)14-26/h8-14,27-36H,15-16H2,1-7H3/t27-,28-,29+,30-,31+,32+,33-,34-,35-,36+/m1/s1
SMILES: CNC1=CC(=C(C=C1)C2=CC3=C4C(=C2)[C@@H]5CNCC[C@@H]5N4CCCC3)C(F)(F)F
InChI: InChI=1S/C23H26F3N3/c1-27-16-5-6-17(20(12-16)23(24,25)26)15-10-14-4-2-3-9-29-21-7-8-28-13-19(21)18(11-15)22(14)29/h5-6,10-12,19,21,27-28H,2-4,7-9,13H2,1H3/t19-,21-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C20H30N2O5S/c1-15-5-3-4-6-19(15)21-20(23)16(2)27-17-7-9-18(10-8-17)28(24,25)22-11-13-26-14-12-22/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16+,19-/m0/s1
SMILES: C[C@]1([C@H](OC(O1)(C)C)C[C@H](/C=C\I)O[Si](C)(C)C(C)(C)C)/C=C/[C@H]2CC=CC(=O)O2
InChI: InChI=1S/C23H37IO5Si/c1-21(2,3)30(7,8)28-18(13-15-24)16-19-23(6,29-22(4,5)27-19)14-12-17-10-9-11-20(25)26-17/h9,11-15,17-19H,10,16H2,1-8H3/b14-12+,15-13-/t17-,18+,19-,23-/m1/s1
SMILES: CCCN1[C@@H]([C@H]([C@H]([C@H](C1=O)O)O)O)CNC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C16H23N3O5/c1-2-8-19-11(12(20)13(21)14(22)15(19)23)9-17-16(24)18-10-6-4-3-5-7-10/h3-7,11-14,20-22H,2,8-9H2,1H3,(H2,17,18,24)/t11-,12-,13-,14-/m1/s1
SMILES: CC(C)(C)C1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C23H22F2N4/c1-22(2,3)13-4-6-15-17(8-13)20(16-7-5-14(24)9-19(16)25)23(11-27,12-28)21(29)18(15)10-26/h5-7,9,13,17,20H,4,8,29H2,1-3H3/t13?,17-,20+/m0/s1
SMILES: CC(C)O[C@@H]1[C@@H](C=C[C@H](O1)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C15H30O4Si/c1-11(2)18-14-13(16)9-8-12(19-14)10-17-20(6,7)15(3,4)5/h8-9,11-14,16H,10H2,1-7H3/t12-,13+,14-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)Cl)O
InChI: InChI=1S/C17H17ClN2O4/c18-10-5-6-14(21)13(9-10)19-15(22)7-8-20-16(23)11-3-1-2-4-12(11)17(20)24/h1-2,5-6,9,11-12,21H,3-4,7-8H2,(H,19,22)/t11-,12-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=O)NC2=O)F)C)O
InChI: InChI=1S/C28H48FN2O11P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(33)39-18-21(32)19-40-43(37,38)42-25-20(2)41-27(24(25)34)31-17-22(29)26(35)30-28(31)36/h17,20-21,24-25,27,32,34H,3-16,18-19H2,1-2H3,(H,37,38)(H,30,35,36)/t20-,21-,24-,25-,27-/m1/s1
SMILES: COC[C@H]1[C@H]([C@@H]([C@@H]([N+]12CCCCC2)COC)OC)OC.[Br-]
InChI: InChI=1S/C15H30NO4.BrH/c1-17-10-12-14(19-3)15(20-4)13(11-18-2)16(12)8-6-5-7-9-16;/h12-15H,5-11H2,1-4H3;1H/q+1;/p-1/t12-,13-,14+,15+;/m0./s1