EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC1C2=NN=C3N2N[C@@H]([C@@H](S3)C(=O)C4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)Br
InChI: InChI=1S/C20H15BrF2N4OS/c21-13-6-3-10(4-7-13)16-18(17(28)12-5-8-14(22)15(23)9-12)29-20-25-24-19(11-1-2-11)27(20)26-16/h3-9,11,16,18,26H,1-2H2/t16-,18-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)O)OC
InChI: InChI=1S/C17H18O6/c1-21-14-4-3-9(5-16(14)22-2)17-13(20)8-11-12(19)6-10(18)7-15(11)23-17/h3-7,13,17-20H,8H2,1-2H3/t13-,17+/m0/s1
SMILES: [B-]1[C@H]([C@@H]([NH+]1[C@@H](C)C2=CC=CC=C2)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]
InChI: InChI=1S/C29H30BNP.BrH/c1-23(25-15-7-3-8-16-25)31-24(2)29(30-31)32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28;/h3-24,29,31H,1-2H3;1H/q+1;/p-1/t23-,24-,29-;/m0./s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)O
InChI: InChI=1S/C26H32N2O16/c1-12(29)27-20-21(34)24(42-16(5)33)26(25(35)38-6,43-18-9-7-17(8-10-18)28(36)37)44-23(20)22(41-15(4)32)19(40-14(3)31)11-39-13(2)30/h7-10,19-24,34H,11H2,1-6H3,(H,27,29)/t19-,20-,21+,22-,23-,24-,26-/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)[C@H]2[C@H]3C=C[C@@]4([C@@H]2C(=O)N(C4)CCC5=CC=CC=C5)O3
InChI: InChI=1S/C24H24N2O4/c1-29-18-9-5-8-17(14-18)25-22(27)20-19-10-12-24(30-19)15-26(23(28)21(20)24)13-11-16-6-3-2-4-7-16/h2-10,12,14,19-21H,11,13,15H2,1H3,(H,25,27)/t19-,20+,21+,24-/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)CCC(=O)O)CN(CC=C)C4CCCC4
InChI: InChI=1S/C31H40N2O6/c1-3-18-33(26-6-4-5-7-26)19-27-21(2)30(23-10-8-22(20-34)9-11-23)39-31(38-27)24-12-14-25(15-13-24)32-28(35)16-17-29(36)37/h3,8-15,21,26-27,30-31,34H,1,4-7,16-20H2,2H3,(H,32,35)(H,36,37)/t21-,27+,30+,31+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-])CO
InChI: InChI=1S/C33H27NO10S/c35-20-26-27(42-30(36)21-10-4-1-5-11-21)28(43-31(37)22-12-6-2-7-13-22)29(44-32(38)23-14-8-3-9-15-23)33(41-26)45-25-18-16-24(17-19-25)34(39)40/h1-19,26-29,33,35H,20H2/t26-,27+,28+,29-,33+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)C3=CC4=CC=CC=C4N3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C42H41NO5/c1-5-15-31(16-6-1)26-44-30-38-40(45-27-32-17-7-2-8-18-32)42(47-29-34-21-11-4-12-22-34)41(46-28-33-19-9-3-10-20-33)39(48-38)37-25-35-23-13-14-24-36(35)43-37/h1-25,38-43H,26-30H2/t38-,39-,40+,41+,42+/m1/s1
SMILES: CN(C)CCCN(CC1=CC=CS1)C(=S)N[C@H]2C[C@H]3CC[C@H]2C3
InChI: InChI=1S/C18H29N3S2/c1-20(2)8-4-9-21(13-16-5-3-10-23-16)18(22)19-17-12-14-6-7-15(17)11-14/h3,5,10,14-15,17H,4,6-9,11-13H2,1-2H3,(H,19,22)/t14-,15-,17-/m0/s1
SMILES: CCOC(=O)[C@@H]1CCCC[C@@H]1N2CCC(CC2)CN3CCC(CC3)OC4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C26H38Cl2N2O3/c1-2-32-26(31)22-5-3-4-6-25(22)30-15-9-19(10-16-30)18-29-13-11-20(12-14-29)33-21-7-8-23(27)24(28)17-21/h7-8,17,19-20,22,25H,2-6,9-16,18H2,1H3/t22-,25+/m1/s1
SMILES: CC[C@@H](C#CC(=O)[C@@H](C)[C@H]1[C@@H]([C@@H](OC(O1)(C)C)[C@@H](C)COCC2=CC=C(C=C2)OC)C)[C@@H](C)OC(C)OCC
InChI: InChI=1S/C32H50O7/c1-11-27(24(6)37-25(7)36-12-2)15-18-29(33)22(4)31-23(5)30(38-32(8,9)39-31)21(3)19-35-20-26-13-16-28(34-10)17-14-26/h13-14,16-17,21-25,27,30-31H,11-12,19-20H2,1-10H3/t21-,22+,23+,24+,25?,27-,30-,31-/m0/s1
SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C
InChI: InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1
SMILES: C1CC[C@@H]2[C@@H]([C@H]2C(=O)NC3=CC=C(C=C3)Br)C=CC1
InChI: InChI=1S/C16H18BrNO/c17-11-7-9-12(10-8-11)18-16(19)15-13-5-3-1-2-4-6-14(13)15/h3,5,7-10,13-15H,1-2,4,6H2,(H,18,19)/t13-,14+,15+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N3C[C@@H](C[C@@H](C3)C)C
InChI: InChI=1S/C20H31N3O5/c1-13-8-14(2)10-22(9-13)16(24)12-28-17(25)11-23-18(26)20(21-19(23)27)7-5-4-6-15(20)3/h13-15H,4-12H2,1-3H3,(H,21,27)/t13-,14+,15-,20-/m1/s1
SMILES: C[C@@H](C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=CC=C3)OC4=CC=CC=C4
InChI: InChI=1S/C20H20N2O4S2/c1-14(26-16-10-6-3-7-11-16)19(23)21-20-22(15-8-4-2-5-9-15)17-12-28(24,25)13-18(17)27-20/h2-11,14,17-18H,12-13H2,1H3/t14-,17+,18-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[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/C60H61N5O10/c1-38(2)50(56(68)72-3)62-59(71)64-47-30-25-40(24-23-39-15-7-4-8-16-39)37-46(47)60(58(64)70)49(55(67)61-43-26-28-44(29-27-43)63-31-34-73-35-32-63)52-57(69)75-53(42-19-11-6-12-20-42)51(41-17-9-5-10-18-41)65(52)54(60)45-21-13-14-22-48(45)74-36-33-66/h5-6,9-15,17-22,25-30,37-38,49-54,66H,4,7-8,16,31-36H2,1-3H3,(H,61,67)(H,62,71)/t49-,50+,51-,52-,53+,54+,60-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H]2[C@@H]([C@H]1O)C(=C)CC[C@@H]3[C@@H]2OC(=O)C3=C)CO
InChI: InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-15(10)13-11(6-18)16(22-9(3)19)14(20)12(7)13/h10-16,18,20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15-,16+/m0/s1
SMILES: CC1(O[C@H]([C@H](O1)[C@H](CS(=O)(=O)C2=CC=CC=C2)N(C)O)/C=C/C3=CC=CO3)C
InChI: InChI=1S/C20H25NO6S/c1-20(2)26-18(12-11-15-8-7-13-25-15)19(27-20)17(21(3)22)14-28(23,24)16-9-5-4-6-10-16/h4-13,17-19,22H,14H2,1-3H3/b12-11+/t17-,18-,19+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C20H27N3OS/c1-14-7-2-3-8-15(14)21-19(24)13-23-12-6-10-17(23)20-22-16-9-4-5-11-18(16)25-20/h4-5,9,11,14-15,17H,2-3,6-8,10,12-13H2,1H3,(H,21,24)/t14-,15+,17+/m0/s1
SMILES: C1=CN(C(=O)NC1=O)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O
InChI: InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13?,14?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[P@@](=O)(C2=CC=C(C=C2)N(C)C)[C@@H](C3=CC=C(C=C3)Br)O)C(C)C
InChI: InChI=1S/C25H35BrNO3P/c1-17(2)23-15-6-18(3)16-24(23)30-31(29,22-13-11-21(12-14-22)27(4)5)25(28)19-7-9-20(26)10-8-19/h7-14,17-18,23-25,28H,6,15-16H2,1-5H3/t18-,23+,24-,25+,31+/m1/s1
SMILES: CSC1=CC=C(C=C1)[C@@]2(CC3=CC=CC=[N+]3[C@H]2C4=CC=CC=C4)O
InChI: InChI=1S/C21H20NOS/c1-24-19-12-10-17(11-13-19)21(23)15-18-9-5-6-14-22(18)20(21)16-7-3-2-4-8-16/h2-14,20,23H,15H2,1H3/q+1/t20-,21+/m0/s1
SMILES: CC1=CC(=CC(=C1OC)C/C=C(\C)/C[C@H](C[C@@]2(C[C@H]3[C@@H](CCC[C@@]2(C3(C)C)C)O[Si](C)(C)C(C)(C)C)C)O)OC
InChI: InChI=1S/C35H60O4Si/c1-24(16-17-26-21-28(37-10)20-25(2)31(26)38-11)19-27(36)22-34(8)23-29-30(39-40(12,13)32(3,4)5)15-14-18-35(34,9)33(29,6)7/h16,20-21,27,29-30,36H,14-15,17-19,22-23H2,1-13H3/b24-16+/t27-,29+,30-,34-,35-/m1/s1
SMILES: CC1(O[C@@H]2C=CC[C@@H]([C@@H]2O1)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN=[N+]=[N-])OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C
InChI: InChI=1S/C36H41N3O7/c1-36(2)45-29-20-12-19-28(31(29)46-36)43-35-34(42-24-27-17-10-5-11-18-27)33(41-23-26-15-8-4-9-16-26)32(30(44-35)21-38-39-37)40-22-25-13-6-3-7-14-25/h3-18,20,28-35H,19,21-24H2,1-2H3/t28-,29+,30+,31-,32+,33-,34+,35-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CN)O)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H41NO2Si/c1-23(2,3)29(5,6)28-18-8-10-19-17(15-18)7-9-21-20(19)11-13-24(4)22(21)12-14-25(24,27)16-26/h8,10,15,20-22,27H,7,9,11-14,16,26H2,1-6H3/t20-,21-,22+,24+,25-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)[O-]
InChI: InChI=1S/C13H21NO3/c1-8-4-3-5-11(9(8)2)14-7-10(13(16)17)6-12(14)15/h8-11H,3-7H2,1-2H3,(H,16,17)/p-1/t8-,9-,10-,11+/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)OCC4=CC=C(S4)Cl
InChI: InChI=1S/C24H29ClFN3O8S/c1-24(2,3)37-23(33)28-8-4-5-15(28)21(31)35-12-17-16(34-11-13-6-7-18(25)38-13)9-19(36-17)29-10-14(26)20(30)27-22(29)32/h6-7,10,15-17,19H,4-5,8-9,11-12H2,1-3H3,(H,27,30,32)/t15-,16-,17+,19+/m0/s1
SMILES: CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C21H24N2O3S/c1-2-3-6-14-9-11-15(12-10-14)18-13-27-21(22-18)23-19(24)16-7-4-5-8-17(16)20(25)26/h4-5,9-13,16-17H,2-3,6-8H2,1H3,(H,25,26)(H,22,23,24)/p-1/t16-,17-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2C3=CC=CC=C3C=CN2N([C@@H]1C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C21H20N2O4/c1-26-20(24)17-18-16-11-7-6-8-14(16)12-13-22(18)23(19(17)21(25)27-2)15-9-4-3-5-10-15/h3-13,17-19H,1-2H3/t17-,18-,19+/m1/s1
SMILES: C1CC[NH+]2CCC[C@H]([C@@H]2C1)COC(=O)NS(=O)(=O)OC3=CC(=C(C=C3)F)Cl
InChI: InChI=1S/C17H22ClFN2O5S/c18-14-10-13(6-7-15(14)19)26-27(23,24)20-17(22)25-11-12-4-3-9-21-8-2-1-5-16(12)21/h6-7,10,12,16H,1-5,8-9,11H2,(H,20,22)/p+1/t12-,16-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H](O1)CN=[N+]=[N-])OCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C14H16F3N3O6S/c1-23-13-12(26-27(21,22)14(15,16)17)11(10(25-13)7-19-20-18)24-8-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12-,13+/m1/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)C[C@@](C[C@H]2O[Si](C)(C)C(C)(C)C)(C(=O)OC)O)(C)OC)OC
InChI: InChI=1S/C20H38O8Si/c1-17(2,3)29(9,10)28-14-12-20(22,16(21)23-6)11-13-15(14)27-19(5,25-8)18(4,24-7)26-13/h13-15,22H,11-12H2,1-10H3/t13-,14-,15+,18+,19+,20-/m1/s1
SMILES: C[C@H](/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)C/C(=C/C(=O)OCCCCCCCC(=O)NC2CCCNC2=O)/C)[C@H](C)O
InChI: InChI=1S/C30H50N2O8/c1-20(17-25-29(37)28(36)23(19-40-25)12-9-11-21(2)22(3)33)18-27(35)39-16-8-6-4-5-7-14-26(34)32-24-13-10-15-31-30(24)38/h9,11,18,21-25,28-29,33,36-37H,4-8,10,12-17,19H2,1-3H3,(H,31,38)(H,32,34)/b11-9+,20-18+/t21-,22+,23+,24?,25+,28-,29+/m1/s1
SMILES: C1CCC(CC1)CC2=CN(N=N2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4N
InChI: InChI=1S/C15H24N4O2/c16-12-8-20-15-13(9-21-14(12)15)19-7-11(17-18-19)6-10-4-2-1-3-5-10/h7,10,12-15H,1-6,8-9,16H2/t12-,13-,14+,15+/m0/s1
SMILES: CCN(CC)C(=O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)C=C3
InChI: InChI=1S/C16H22N2O3/c1-3-17(4-2)12(19)7-8-18-15(20)13-10-5-6-11(9-10)14(13)16(18)21/h5-6,10-11,13-14H,3-4,7-9H2,1-2H3/t10-,11+,13-,14+
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[N+]2=CC=C(C=C2)O[Si](C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C34H56NO10Si.CHF3O3S/c1-31(2,3)27(36)40-20-22-23(42-28(37)32(4,5)6)24(43-29(38)33(7,8)9)25(44-30(39)34(10,11)12)26(41-22)35-18-16-21(17-19-35)45-46(13,14)15;2-1(3,4)8(5,6)7/h16-19,22-26H,20H2,1-15H3;(H,5,6,7)/q+1;/p-1/t22-,23+,24+,25-,26-;/m1./s1
SMILES: CC(C)O[C@@H]1[C@@H](C[C@H]([C@H](O1)COC(=O)C)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C25H38O14S/c1-11(2)34-24-17(31)8-20(18(38-24)9-32-12(3)26)40-25-23(37-16(7)30)22(36-15(6)29)21(35-14(5)28)19(39-25)10-33-13(4)27/h11,17-25,31H,8-10H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24+,25+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)[O-])N=C(S3)NC(=O)C4=CC=CS4)(C)CO)O
InChI: InChI=1S/C21H26N2O5S2/c1-20-6-5-15(25)21(2,10-24)14(20)9-13-17(11(20)8-16(26)27)22-19(30-13)23-18(28)12-4-3-7-29-12/h3-4,7,11,14-15,24-25H,5-6,8-10H2,1-2H3,(H,26,27)(H,22,23,28)/p-1/t11-,14+,15-,20+,21+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]([C@H]1O)C=C[C@H]3[C@@H]2/C=C(/[C@H](C[C@@H](C[C@@H](C3)O)O)O)\C(=O)O
InChI: InChI=1S/C19H28O6/c1-9-4-15-13(18(9)23)3-2-10-5-11(20)6-12(21)7-17(22)16(19(24)25)8-14(10)15/h2-3,8-15,17-18,20-23H,4-7H2,1H3,(H,24,25)/b16-8-/t9-,10+,11+,12+,13-,14-,15-,17-,18-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2N3OC(OO3)C4=CC=C(C=C4)OC)OC5=CC=CC=C5
InChI: InChI=1S/C24H22N2O7/c1-28-18-12-8-16(9-13-18)21-22(30-20-6-4-3-5-7-20)23(27)25(21)26-31-24(32-33-26)17-10-14-19(29-2)15-11-17/h3-15,21-22,24H,1-2H3/t21-,22+,24?/m1/s1
SMILES: CC1=C([C@@H]2[C@H]3[C@H]([C@@H](O[C@]3(O1)C(=O)OC)OC)OC2=O)C(=O)C
InChI: InChI=1S/C14H16O8/c1-5(15)7-6(2)21-14(13(17)19-4)9-8(7)11(16)20-10(9)12(18-3)22-14/h8-10,12H,1-4H3/t8-,9+,10-,12-,14+/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NN([C@@H]([C@H]31)C4=CC=C(C=C4)Cl)C(=O)CN5CCOCC5
InChI: InChI=1S/C23H24ClN3O2/c24-18-8-5-17(6-9-18)23-20-10-7-16-3-1-2-4-19(16)22(20)25-27(23)21(28)15-26-11-13-29-14-12-26/h1-6,8-9,20,23H,7,10-15H2/t20-,23+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C=C(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C6CC6
InChI: InChI=1S/C45H59NO15/c1-22(2)18-27(46-40(54)61-41(5,6)7)32(49)39(53)57-28-20-45(55)36(59-38(52)25-14-12-11-13-15-25)34-43(10,29(48)19-30-44(34,21-56-30)60-24(4)47)35(50)33(58-37(51)26-16-17-26)31(23(28)3)42(45,8)9/h11-15,18,26-30,32-34,36,48-49,55H,16-17,19-21H2,1-10H3,(H,46,54)/t27-,28-,29-,30+,32+,33+,34?,36-,43+,44-,45+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OCC=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H31NO14/c1-7-8-31-22(30)23-16(20(28)29)10(2)33-21-19(36-14(6)27)18(35-13(5)26)17(34-12(4)25)15(37-21)9-32-11(3)24/h7,10,15-19,21H,1,8-9H2,2-6H3,(H,23,30)(H,28,29)/t10-,15-,16+,17-,18+,19-,21-/m1/s1
SMILES: C[C@@H]([C@](C(C)C)(C(=O)OC1=CC[NH+]2[C@@H]1[C@@H](CC2)O)O)OC
InChI: InChI=1S/C15H25NO5/c1-9(2)15(19,10(3)20-4)14(18)21-12-6-8-16-7-5-11(17)13(12)16/h6,9-11,13,17,19H,5,7-8H2,1-4H3/p+1/t10-,11+,13+,15+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC3=CC=C(C=C3)Br)N4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6)O
InChI: InChI=1S/C34H30BrNO6S/c35-24-15-17-25(18-16-24)43-34-29(36-32(38)26-13-7-8-14-27(26)33(36)39)31(41-20-23-11-5-2-6-12-23)30(37)28(42-34)21-40-19-22-9-3-1-4-10-22/h1-18,28-31,34,37H,19-21H2/t28-,29-,30-,31-,34+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCC(=O)N(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C17H25N3O6/c1-10(17(25)26-9-13(21)18-8-14(22)19(2)3)20-15(23)11-6-4-5-7-12(11)16(20)24/h10-12H,4-9H2,1-3H3,(H,18,21)/t10-,11-,12-/m0/s1
SMILES: CC(=O)OCC(=O)[C@@H]([C@@H]1[C@H](N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)C#N)OCC4=CC=CC=C4
InChI: InChI=1S/C30H29N3O5/c1-22(34)37-21-27(35)29(38-20-25-15-9-4-10-16-25)28-26(17-31)32(18-23-11-5-2-6-12-23)30(36)33(28)19-24-13-7-3-8-14-24/h2-16,26,28-29H,18-21H2,1H3/t26-,28+,29+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CNC(=O)CO[C@@H]3[C@H]([C@H]([C@H](O[C@H]3O2)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O[C@H]1OC)OCC7=CC=CC=C7
InChI: InChI=1S/C45H52N2O11/c1-30(48)47-38-41(53-26-33-19-11-5-12-20-33)40-35(56-44(38)50-2)23-46-37(49)29-55-43-42(54-27-34-21-13-6-14-22-34)39(52-25-32-17-9-4-10-18-32)36(57-45(43)58-40)28-51-24-31-15-7-3-8-16-31/h3-22,35-36,38-45H,23-29H2,1-2H3,(H,46,49)(H,47,48)/t35-,36-,38-,39+,40-,41-,42+,43-,44-,45+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](CSC3=C2SC(=O)N3)C#N)OC
InChI: InChI=1S/C15H14N2O3S2/c1-19-10-4-3-8(5-11(10)20-2)12-9(6-16)7-21-14-13(12)22-15(18)17-14/h3-5,9,12H,7H2,1-2H3,(H,17,18)/t9-,12+/m0/s1
SMILES: CCOP(=O)(OCC)OC1=CC([C@@H]2[C@H](C1)CCCC2=O)CCOC(=O)C3=CC=CC=C3
InChI: InChI=1S/C23H31O7P/c1-3-28-31(26,29-4-2)30-20-15-18-11-8-12-21(24)22(18)19(16-20)13-14-27-23(25)17-9-6-5-7-10-17/h5-7,9-10,16,18-19,22H,3-4,8,11-15H2,1-2H3/t18-,19?,22-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCC2=CN(N=N2)CCCCCN3C=C(N=N3)CCCO[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O)O)N)N)O)O)N
InChI: InChI=1S/C27H50N10O6/c28-18-12-20(30)26(24(40)22(18)38)42-10-4-6-16-14-36(34-32-16)8-2-1-3-9-37-15-17(33-35-37)7-5-11-43-27-21(31)13-19(29)23(39)25(27)41/h14-15,18-27,38-41H,1-13,28-31H2/t18-,19-,20+,21+,22+,23+,24-,25-,26-,27-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C=CC7=CC(=C(C=C7)O)OC)C8=CC=C(C=C8)OC)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C50H44Cl2N6O7/c1-56(2)33-14-10-31(11-15-33)53-54-32-12-16-34(17-13-32)57-46(60)37-21-20-36-38(45(37)48(57)62)27-40-47(61)58(55-42-23-9-30(51)26-41(42)52)49(63)50(40,29-7-18-35(64-3)19-8-29)39(36)22-5-28-6-24-43(59)44(25-28)65-4/h5-20,22-26,37-40,45,55,59H,21,27H2,1-4H3/t37-,38+,39-,40-,45-,50-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=CC(=C6)Cl)O)C(=O)N(C5=O)CC7=CC=CC=C7)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H32Cl3N3O6/c1-52-25-11-7-22(8-12-25)40-30(37(49)46(39(40)51)44-32-15-9-24(42)18-31(32)43)19-28-26(35(40)29-17-23(41)10-16-33(29)47)13-14-27-34(28)38(50)45(36(27)48)20-21-5-3-2-4-6-21/h2-13,15-18,27-28,30,34-35,44,47H,14,19-20H2,1H3/t27-,28+,30-,34-,35+,40+/m0/s1
SMILES: COCCOCO[C@H]1[C@H](N(C(=O)N([C@@H]([C@@H]1OCOCCOC)CC2=CC=CC=C2)CC3=CC(=CC=C3)O)CC4=CC(=CC=C4)O)CC5=CC=CC=C5
InChI: InChI=1S/C41H50N2O9/c1-47-19-21-49-29-51-39-37(25-31-11-5-3-6-12-31)42(27-33-15-9-17-35(44)23-33)41(46)43(28-34-16-10-18-36(45)24-34)38(26-32-13-7-4-8-14-32)40(39)52-30-50-22-20-48-2/h3-18,23-24,37-40,44-45H,19-22,25-30H2,1-2H3/t37-,38-,39+,40+/m1/s1
SMILES: C1C[C@H]2[C@@H](CC=C[C@H](O2)/C=C/[C@@H](COC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)OC1
InChI: InChI=1S/C27H26Br2O6/c28-20-10-6-18(7-11-20)26(30)33-17-23(35-27(31)19-8-12-21(29)13-9-19)15-14-22-3-1-4-24-25(34-22)5-2-16-32-24/h1,3,6-15,22-25H,2,4-5,16-17H2/b15-14+/t22-,23-,24+,25-/m0/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H](C([C@H](O2)CO)(F)F)O)F
InChI: InChI=1S/C9H9F3N2O5/c10-3-1-14(8(18)13-6(3)17)7-5(16)9(11,12)4(2-15)19-7/h1,4-5,7,15-16H,2H2,(H,13,17,18)/t4-,5+,7-/m1/s1
SMILES: CCC1=CC(=NN1C2CCN(CC2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)[C@H](C5CCCCC5)C(=O)O)CCC6=CC=CC=C6
InChI: InChI=1S/C37H50N4O2/c1-2-33-24-32(19-18-28-12-6-3-7-13-28)38-41(33)34-20-22-39(23-21-34)25-31-26-40(27-35(31)29-14-8-4-9-15-29)36(37(42)43)30-16-10-5-11-17-30/h3-4,6-9,12-15,24,30-31,34-36H,2,5,10-11,16-23,25-27H2,1H3,(H,42,43)/t31-,35+,36+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C#N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H19NO9/c1-7(17)21-6-12-14(23-9(3)19)15(24-10(4)20)13(22-8(2)18)11(5-16)25-12/h11-15H,6H2,1-4H3/t11-,12-,13-,14-,15-/m1/s1
SMILES: C/C=C/1\C[NH+]2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C#N
InChI: InChI=1S/C19H19N3/c1-2-12-11-22-8-7-19-15-5-3-4-6-16(15)21-18(19)14(10-20)13(12)9-17(19)22/h2-6,13,17,21H,7-9,11H2,1H3/p+1/b12-2+/t13-,17-,19+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C16H23NO4S/c1-11-4-3-5-14(12(11)2)17-22(18,19)13-6-7-15-16(10-13)21-9-8-20-15/h6-7,10-12,14,17H,3-5,8-9H2,1-2H3/t11-,12+,14+/m0/s1
SMILES: C[C@@]12[C@@H]3[C@@]1([C@@H](CC2=O)CC=C)[C@@H]4C=C[C@H]3N5N4C(=O)N(C5=O)C6=CC=CC=C6
InChI: InChI=1S/C22H21N3O3/c1-3-7-13-12-17(26)21(2)18-15-10-11-16(22(13,18)21)25-20(28)23(19(27)24(15)25)14-8-5-4-6-9-14/h3-6,8-11,13,15-16,18H,1,7,12H2,2H3/t13-,15-,16+,18-,21-,22-/m1/s1
SMILES: CCCCCCCCCC[C@H]1[C@H](OC(O1)(C)C)CC/C=C/CCC(=O)OCC
InChI: InChI=1S/C24H44O4/c1-5-7-8-9-10-11-12-15-18-21-22(28-24(3,4)27-21)19-16-13-14-17-20-23(25)26-6-2/h13-14,21-22H,5-12,15-20H2,1-4H3/b14-13+/t21-,22+/m0/s1
SMILES: C[C@@H]1[C@@H]([Si]1([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C16H38Si3/c1-13-14(2)19(13,17(9,10)15(3,4)5)18(11,12)16(6,7)8/h13-14H,1-12H3/t13-,14+
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C#N)OCC
InChI: InChI=1S/C17H17N5O4/c1-3-25-17(26-4-2)16(10-19)13(15(16,9-18)14(20)21-17)11-6-5-7-12(8-11)22(23)24/h5-8,13H,3-4H2,1-2H3,(H2,20,21)/p+1/t13-,15-,16-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](C=C[C@@H]2[C@@H]1[C@@H]3C[C@H](C2)C(=O)O3)C(C)C
InChI: InChI=1S/C17H24O4/c1-4-20-17(19)15-12(9(2)3)6-5-10-7-11-8-13(14(10)15)21-16(11)18/h5-6,9-15H,4,7-8H2,1-3H3/t10-,11-,12+,13-,14+,15-/m0/s1
SMILES: CCOC(=O)/C=C/[C@@H]1[C@H]2CO[C@@]3([C@H]2C(=C[C@H]1C3=O)C(=O)OC)OC
InChI: InChI=1S/C17H20O7/c1-4-23-13(18)6-5-9-10-7-11(16(20)21-2)14-12(9)8-24-17(14,22-3)15(10)19/h5-7,9-10,12,14H,4,8H2,1-3H3/b6-5+/t9-,10+,12+,14-,17+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C50H68N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24-47(56)51-34-38-25-31-42(32-26-38)50-57-46(36-52(2)35-45(55)43-22-19-23-44(54)33-43)48(40-20-16-15-17-21-40)49(58-50)41-29-27-39(37-53)28-30-41/h15-17,19-23,25-33,45-46,48-50,53-55H,3-14,18,24,34-37H2,1-2H3,(H,51,56)/t45-,46-,48-,49+,50?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H30O6S/c1-19-12-14-22(15-13-19)34(30)27-26(32-18-21-10-6-3-7-11-21)25(24(29)23(16-28)33-27)31-17-20-8-4-2-5-9-20/h2-15,23-29H,16-18H2,1H3/t23-,24-,25+,26-,27+,34?/m1/s1
SMILES: CC(C)[C@H]1[C@@H](N=C(O1)C2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H31NO2Si/c1-14(2)17-16(13-21-23(6,7)19(3,4)5)20-18(22-17)15-11-9-8-10-12-15/h8-12,14,16-17H,13H2,1-7H3/t16-,17-/m0/s1
SMILES: CCCCCCCCCCC[C@H](CC(=O)NC1[C@H]([C@@H](C(O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2C([C@@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O
InChI: InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29-,30-,31?,32-,36?,37?,38-,39+,40-,41-,42-/m1/s1
SMILES: C1CCN(C1)C2=NC(=O)N(C=C2Br)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C13H18BrN3O5/c14-7-5-17(12-10(20)9(19)8(6-18)22-12)13(21)15-11(7)16-3-1-2-4-16/h5,8-10,12,18-20H,1-4,6H2/t8-,9-,10+,12-/m1/s1
SMILES: CCOC1[C@@H]2CC3[C@]4(C1C(=O)C5=C(O4)C(=C6C(=C5O)C=C[C@@](O6)(C)CCC=C(C)C)CC=C(C)C)[C@](C2=O)(OC3(C)C)C/C=C/C(=O)N7CCCCC7
InChI: InChI=1S/C44H57NO8/c1-9-50-39-30-25-31-41(6,7)53-43(40(30)49,21-14-16-32(46)45-23-11-10-12-24-45)44(31)34(39)36(48)33-35(47)28-19-22-42(8,20-13-15-26(2)3)51-37(28)29(38(33)52-44)18-17-27(4)5/h14-17,19,22,30-31,34,39,47H,9-13,18,20-21,23-25H2,1-8H3/b16-14+/t30-,31?,34?,39?,42+,43-,44-/m0/s1
SMILES: COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]1C2=CC=CC=C2)C(=O)N3CCCC3
InChI: InChI=1S/C17H22N2O3/c1-22-17(21)13-11-14(16(20)19-9-5-6-10-19)18-15(13)12-7-3-2-4-8-12/h2-4,7-8,13-15,18H,5-6,9-11H2,1H3/p+1/t13-,14-,15-/m1/s1
SMILES: C1C[C@H]2[C@H](C1)[C@@H]\3C[C@H]2C/C3=N/NC4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C17H20N2O2/c20-17(21)10-4-6-12(7-5-10)18-19-16-9-11-8-15(16)14-3-1-2-13(11)14/h4-7,11,13-15,18H,1-3,8-9H2,(H,20,21)/p-1/b19-16-/t11-,13+,14-,15-/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@@H]3[C@@H]2[C@@H]([C@@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=C(C(=CC=C5)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C25H20Cl3N3O5S/c1-36-18-10-12(30(32)33)9-14-21-15(24(29-25(14)18)13-5-4-6-16(26)22(13)27)11-20(23(21)28)37-19-8-3-2-7-17(19)31(34)35/h2-10,15,20-21,23-24,29H,11H2,1H3/t15-,20+,21+,23+,24+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)N=[N+]=[N-])F)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H16FN3O5/c20-15-16(28-19(25)13-9-5-2-6-10-13)14(27-17(15)22-23-21)11-26-18(24)12-7-3-1-4-8-12/h1-10,14-17H,11H2/t14-,15+,16-,17+/m0/s1
SMILES: COC1=C(C=CC(=C1)O)[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)CCCC(=O)O
InChI: InChI=1S/C37H33ClFN3O8/c1-50-29-17-23(43)12-13-25(29)32-24-14-15-26-31(35(48)41(33(26)46)16-2-3-30(44)45)27(24)18-28-34(47)42(40-22-10-8-21(39)9-11-22)36(49)37(28,32)19-4-6-20(38)7-5-19/h4-14,17,26-28,31-32,40,43H,2-3,15-16,18H2,1H3,(H,44,45)/t26-,27+,28-,31-,32+,37+/m0/s1
SMILES: CC(=O)OC[C@@]1([C@@H]([C@H](CN(O1)C2=C(C(=CC(=C2)C(=O)OC)OC)I)N=[N+]=[N-])O)OC
InChI: InChI=1S/C17H21IN4O8/c1-9(23)29-8-17(28-4)15(24)11(20-21-19)7-22(30-17)12-5-10(16(25)27-3)6-13(26-2)14(12)18/h5-6,11,15,24H,7-8H2,1-4H3/t11-,15+,17+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@H]([C@@](O2)(CO3)CO)OCC4=CC=CC=C4
InChI: InChI=1S/C18H20N2O6/c1-11-7-20(17(23)19-15(11)22)16-13-14(18(9-21,26-16)10-25-13)24-8-12-5-3-2-4-6-12/h2-7,13-14,16,21H,8-10H2,1H3,(H,19,22,23)/t13-,14-,16-,18+/m1/s1
SMILES: COC1CCC(C1)OC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CF)O)O)O)Cl
InChI: InChI=1S/C18H24ClFO6/c1-24-10-3-4-11(7-10)25-13-6-9(2-5-12(13)19)18-17(23)16(22)15(21)14(8-20)26-18/h2,5-6,10-11,14-18,21-23H,3-4,7-8H2,1H3/t10?,11?,14-,15-,16+,17-,18+/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1[C@H]([C@@H]1C2=CC=CC=C2)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H24O4/c1-22(2,3)26-21(24)19-17(18(19)15-10-6-4-7-11-15)14-25-20(23)16-12-8-5-9-13-16/h4-13,17-19H,14H2,1-3H3/t17-,18-,19+/m0/s1
SMILES: C[C@@]12CCC[C@]1([C@H]3CC[C@]4(CC(CC[C@@]4([C@@H]3CC2)C)(OC)OC)C)O
InChI: InChI=1S/C22H38O3/c1-18-9-6-10-22(18,23)17-8-12-19(2)15-21(24-4,25-5)14-13-20(19,3)16(17)7-11-18/h16-17,23H,6-15H2,1-5H3/t16-,17+,18+,19+,20-,22-/m1/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)Cl)O)C)O
InChI: InChI=1S/C23H31ClO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]([C@@H]1C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H31NO5Si/c1-15(2,3)22-14(19)17-11(12(17)13(18)20-7)10-21-23(8,9)16(4,5)6/h11-12H,10H2,1-9H3/t11-,12+,17?/m0/s1