EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12CC[C@@H]3C(=C[C@@H]4C5C36CC[C@@]([C@@]5(C(=O)O4)C)(OC6)O)[C@@]1(OC[C@H]2O)O
InChI: InChI=1S/C20H26O7/c1-16-4-3-10-11(20(16,24)25-8-13(16)21)7-12-14-17(2,15(22)27-12)19(23)6-5-18(10,14)9-26-19/h7,10,12-14,21,23-24H,3-6,8-9H2,1-2H3/t10-,12-,13-,14?,16+,17+,18?,19+,20+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C19H21F2N3O5/c1-11-4-2-3-5-14(11)24-17(27)16(26)23(19(24)28)10-15(25)22-12-6-8-13(9-7-12)29-18(20)21/h6-9,11,14,18H,2-5,10H2,1H3,(H,22,25)/t11-,14-/m0/s1
SMILES: CO[C@@H]1[C@H]2[C@@H]([C@@](O1)(CO2)COS(=O)(=O)C)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C16H22O8S/c1-19-12-6-4-11(5-7-12)8-21-14-13-15(20-2)24-16(14,9-22-13)10-23-25(3,17)18/h4-7,13-15H,8-10H2,1-3H3/t13-,14+,15+,16-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC(=O)O2)([C@@H](C[C@@H](C3(C)C)O)O)C
InChI: InChI=1S/C16H26O4/c1-14(2)9-5-6-15(3)10(7-13(19)20-15)16(9,4)12(18)8-11(14)17/h9-12,17-18H,5-8H2,1-4H3/t9-,10-,11-,12+,15+,16-/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)NCC4=CC=CC=C4)CN5C=NC6=CC=CC=C65
InChI: InChI=1S/C35H36N4O4/c1-24-32(21-39-23-38-30-9-5-6-10-31(30)39)42-34(43-33(24)28-15-13-27(22-40)14-16-28)29-17-11-26(12-18-29)20-37-35(41)36-19-25-7-3-2-4-8-25/h2-18,23-24,32-34,40H,19-22H2,1H3,(H2,36,37,41)/t24-,32+,33+,34+/m0/s1
SMILES: CC1CCC(C(C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C
InChI: InChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16?/m0/s1
SMILES: CCC(=O)O[C@@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)OC=C1C
InChI: InChI=1S/C17H20O5/c1-3-14(18)21-15-11(2)9-19-13-10-20-17(22-16(13)15)12-7-5-4-6-8-12/h4-9,13,15-17H,3,10H2,1-2H3/t13-,15+,16-,17-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/C(=O)OC
InChI: InChI=1S/C18H34O3Si/c1-18(2,3)22(5,6)21-16-13-9-7-11-15(16)12-8-10-14-17(19)20-4/h10,14-16H,7-9,11-13H2,1-6H3/b14-10+/t15-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)C4=C(C=CC(=C4)C)OC
InChI: InChI=1S/C24H30N2O4S/c1-16-4-9-20(10-5-16)31(28,29)26(22-12-17(2)6-11-23(22)30-3)15-24(27)25-21-14-18-7-8-19(21)13-18/h4-6,9-12,18-19,21H,7-8,13-15H2,1-3H3,(H,25,27)/t18-,19+,21-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC(CN)(CN)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H50N2O20/c1-15(36)44-9-23-25(48-17(3)38)27(50-19(5)40)29(52-21(7)42)31(54-23)46-13-33(11-34,12-35)14-47-32-30(53-22(8)43)28(51-20(6)41)26(49-18(4)39)24(55-32)10-45-16(2)37/h23-32H,9-14,34-35H2,1-8H3/t23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2C(=O)OCC(Cl)(Cl)Cl)C[C@@H]1C3=CC=C(C=C3)C=C
InChI: InChI=1S/C20H22Cl3NO4/c1-3-12-4-6-13(7-5-12)15-10-14-8-9-16(17(15)18(25)27-2)24(14)19(26)28-11-20(21,22)23/h3-7,14-17H,1,8-11H2,2H3/t14-,15+,16+,17-/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@H]([Se]CC(=C)[C@@H]3[C@H]2OC1=O)CO)C
InChI: InChI=1S/C15H22O3Se/c1-8-7-19-11(6-16)15(3)5-4-10-9(2)14(17)18-13(10)12(8)15/h9-13,16H,1,4-7H2,2-3H3/t9-,10-,11+,12+,13-,15-/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]2CC[C@]3([C@@H]2[C@](CCC3)(OC1(C)C)CBr)C
InChI: InChI=1S/C17H28BrNO2/c1-11(20)19-14-12-6-9-16(4)7-5-8-17(10-18,13(12)16)21-15(14,2)3/h12-14H,5-10H2,1-4H3,(H,19,20)/t12-,13+,14-,16-,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H]2C3=CC=CC=C3OC)C#C[Si](C)(C)C
InChI: InChI=1S/C21H25NO3SSi/c1-16-10-12-17(13-11-16)26(23,24)22-19(14-15-27(3,4)5)21(22)18-8-6-7-9-20(18)25-2/h6-13,19,21H,1-5H3/t19-,21+,22?/m1/s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@H]3[C@@H]2C(=O)C[C@@]4([C@@H]3CC[C@@]4(C(=O)CO)O)C
InChI: InChI=1S/C21H28O5/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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18-,19-,20-,21+/m1/s1
SMILES: CC(C)(C)C(=O)OCC[C@@]12CC[C@H]3[C@]([C@@H]1CCC=C2)(CCCC34OCCO4)C5OCCO5
InChI: InChI=1S/C26H40O6/c1-23(2,3)21(27)28-14-13-24-9-5-4-7-19(24)25(22-29-15-16-30-22)10-6-11-26(20(25)8-12-24)31-17-18-32-26/h5,9,19-20,22H,4,6-8,10-18H2,1-3H3/t19-,20+,24-,25-/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)N(C(=S)N2)C3=CC=C(C=C3)Br
InChI: InChI=1S/C11H11BrN2O2S2/c12-7-1-3-8(4-2-7)14-10-6-18(15,16)5-9(10)13-11(14)17/h1-4,9-10H,5-6H2,(H,13,17)/t9-,10+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C9=CC=C(C=C9)C=CC1=C(C=CC(=C1)OC)OC
InChI: InChI=1S/C52H47ClN4O7S/c1-26-20-31(21-27(2)46(26)58)45-35-16-17-36-44(50(61)56(48(36)59)33-13-9-29(10-14-33)8-11-30-22-34(63-6)15-18-41(30)64-7)38(35)24-39-49(60)57(51(62)52(39,45)4)43-25-40(54-55(43)5)47-28(3)37-23-32(53)12-19-42(37)65-47/h8-16,18-23,25,36,38-39,44-45,58H,17,24H2,1-7H3/t36-,38+,39-,44-,45-,52+/m0/s1
SMILES: CCCNC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CCO/N=C(\C)/CCC(=O)OC[C@@H]2[C@H](C=C[C@H](O2)C#CC3=CC=CC=C3)OC4=CC=C(C=C4)C)OC5=CC=C(C=C5)OC
InChI: InChI=1S/C45H52N2O10/c1-5-28-46-45(49)52-31-43-41(55-38-20-18-35(50-4)19-21-38)25-23-39(57-43)27-29-53-47-33(3)13-26-44(48)51-30-42-40(54-36-15-11-32(2)12-16-36)24-22-37(56-42)17-14-34-9-7-6-8-10-34/h6-12,15-16,18-25,37,39-43H,5,13,26-31H2,1-4H3,(H,46,49)/b47-33+/t37-,39+,40+,41+,42-,43-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C3=CSC4=C(C3=O)C=C(C=C4)Cl
InChI: InChI=1S/C18H20ClNOS/c19-13-7-8-17-14(10-13)18(21)16(11-22-17)20-9-3-5-12-4-1-2-6-15(12)20/h7-8,10-12,15H,1-6,9H2/t12-,15-/m0/s1
SMILES: CCCCNC(=O)[C@H]1[C@H]2[C@@H]([C@H]([C@H](N1)C)O)OC(O2)(C)C
InChI: InChI=1S/C14H26N2O4/c1-5-6-7-15-13(18)9-11-12(10(17)8(2)16-9)20-14(3,4)19-11/h8-12,16-17H,5-7H2,1-4H3,(H,15,18)/t8-,9-,10+,11+,12-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](CCO2)[C@@H]([C@H]4[C@@]3(O4)COC(=O)C)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H40O17/c1-15(34)42-13-23-26(44-17(3)36)27(45-18(4)37)28(46-19(5)38)32(47-23)49-31-24-22(11-12-41-31)25(29-33(24,50-29)14-43-16(2)35)48-30(39)20-7-9-21(40-6)10-8-20/h7-10,22-29,31-32H,11-14H2,1-6H3/t22-,23-,24-,25+,26-,27+,28-,29+,31+,32+,33-/m1/s1
SMILES: COC(=O)CCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C14H19N3O8/c1-24-10(20)3-2-9(19)15-8-4-5-17(14(23)16-8)13-12(22)11(21)7(6-18)25-13/h4-5,7,11-13,18,21-22H,2-3,6H2,1H3,(H,15,16,19,23)/t7-,11-,12+,13-/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N
InChI: InChI=1S/C19H25N3O3S/c20-11-3-12-21-26(24,25)18-8-6-16(7-9-18)19(23)22-13-10-15-4-1-2-5-17(15)14-22/h6-9,15,17,21H,1-5,10,12-14H2/t15-,17+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)N)NC(=O)C(CC(C)C)CC(=O)NO)O
InChI: InChI=1S/C37H62N10O11S/c1-20(2)15-22(16-28(50)46-58)34(54)44-31(21(3)48)36(56)47-14-8-10-25(47)35(55)41-17-29(51)40-18-30(52)42-23(33(38)53)9-6-7-13-39-27(49)12-5-4-11-26-32-24(19-59-26)43-37(57)45-32/h20-26,31-32,48,58H,4-19H2,1-3H3,(H2,38,53)(H,39,49)(H,40,51)(H,41,55)(H,42,52)(H,44,54)(H,46,50)(H2,43,45,57)/t21-,22?,23+,24+,25+,26+,31+,32+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=C(C=C6)F)Cl)C)C(=O)N(C4=O)C(C)(C)C)O
InChI: InChI=1S/C32H32ClFN2O5/c1-15-12-16(6-11-24(15)37)26-18-8-9-19-25(29(40)36(27(19)38)31(2,3)4)20(18)14-21-28(39)35(30(41)32(21,26)5)17-7-10-23(34)22(33)13-17/h6-8,10-13,19-21,25-26,37H,9,14H2,1-5H3/t19-,20+,21-,25-,26-,32+/m0/s1
SMILES: CC(=O)CC(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O)N)N)N)O)O)O.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C29H52N6O13S.C2HF3O2/c1-13(36)8-19(39)46-12-29(2,3)26(44)27(45)34-5-4-17(37)33-6-7-49-11-18(38)35-10-16-22(41)23(42)20(32)28(47-16)48-25-15(31)9-14(30)21(40)24(25)43;3-2(4,5)1(6)7/h14-16,20-26,28,40-44H,4-12,30-32H2,1-3H3,(H,33,37)(H,34,45)(H,35,38);(H,6,7)/t14-,15+,16-,20-,21+,22-,23-,24-,25-,26+,28-;/m1./s1
SMILES: C[C@@]1(C[Si](C[C@H]1[N+](=O)[O-])(C)C)[N+](=O)[O-]
InChI: InChI=1S/C7H14N2O4Si/c1-7(9(12)13)5-14(2,3)4-6(7)8(10)11/h6H,4-5H2,1-3H3/t6-,7+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(OCCNC(=O)C(F)(F)F)OCCNC(=O)C(F)(F)F
InChI: InChI=1S/C39H41F6N4O11P/c1-24-22-49(36(53)48-33(24)50)32-21-30(60-61(57-19-17-46-34(51)38(40,41)42)58-20-18-47-35(52)39(43,44)45)31(59-32)23-56-37(25-7-5-4-6-8-25,26-9-13-28(54-2)14-10-26)27-11-15-29(55-3)16-12-27/h4-16,22,30-32H,17-21,23H2,1-3H3,(H,46,51)(H,47,52)(H,48,50,53)/t30-,31+,32+/m0/s1
SMILES: CCCC[C@H](C1=CC=CC=C1)OP2(=S)N([C@H]([C@@H](N2C)C3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F)C
InChI: InChI=1S/C29H31F6N2OPS/c1-4-5-17-25(20-11-7-6-8-12-20)38-39(40)36(2)26(21-13-9-15-23(18-21)28(30,31)32)27(37(39)3)22-14-10-16-24(19-22)29(33,34)35/h6-16,18-19,25-27H,4-5,17H2,1-3H3/t25-,26+,27+/m1/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H]([C@H]([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CNC5=CC=CC=C54)C)N)C)OCO2)C
InChI: InChI=1S/C41H63N3O9/c1-11-32-41(8)37(48-22-50-41)25(4)33(42)23(2)20-40(7,49-18-14-15-28-21-43-30-17-13-12-16-29(28)30)36(26(5)34(45)27(6)38(47)52-32)53-39-35(46)31(44(9)10)19-24(3)51-39/h12-17,21,23-27,31-33,35-37,39,43,46H,11,18-20,22,42H2,1-10H3/b15-14+/t23-,24-,25+,26+,27-,31+,32-,33+,35-,36-,37?,39+,40+,41-/m1/s1
SMILES: C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)OC(O4)OC)/CO
InChI: InChI=1S/C23H37N5O6Si/c1-14(10-29)8-9-24-19-16-20(26-12-25-19)28(13-27-16)21-18-17(33-22(30-5)34-18)15(32-21)11-31-35(6,7)23(2,3)4/h8,12-13,15,17-18,21-22,29H,9-11H2,1-7H3,(H,24,25,26)/b14-8+/t15-,17-,18-,21-,22?/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)OC)O)O)O)O
InChI: InChI=1S/C19H34O15/c1-5-8(22)10(24)12(26)18(30-5)34-16-14(28)17(29-2)32-7(4-21)15(16)33-19-13(27)11(25)9(23)6(3-20)31-19/h5-28H,3-4H2,1-2H3/t5-,6+,7+,8+,9+,10+,11-,12-,13+,14+,15-,16+,17-,18+,19+/m0/s1
SMILES: CC1=C(C2=C(C[C@@H]([C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O/C(=C/[N+]#N)/O)C(=C1O)C)C
InChI: InChI=1S/C31H50N2O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-31(8)27(36-28(34)19-33-32)18-26-25(7)29(35)23(5)24(6)30(26)37-31/h19-22,27H,9-18H2,1-8H3,(H-,34,35)/p+1/b28-19+/t21-,22-,27+,31-/m1/s1
SMILES: CCOC(=O)/C=C(\CCCOCC1=CC=C(C=C1)OC)/C(=C/C(=O)C[C@H]2[C@@H](CC=C([C@@H]2OCOC)C)C(=C)C)/CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H62O8Si/c1-12-46-38(42)25-32(14-13-22-45-27-31-16-18-35(44-9)19-17-31)33(21-23-48-49(10,11)40(5,6)7)24-34(41)26-37-36(29(2)3)20-15-30(4)39(37)47-28-43-8/h15-19,24-25,36-37,39H,2,12-14,20-23,26-28H2,1,3-11H3/b32-25+,33-24+/t36-,37-,39-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@](O2)(C(=O)OC)F)O
InChI: InChI=1S/C11H13FN2O6/c1-5-4-14(10(18)13-8(5)16)7-3-6(15)11(12,20-7)9(17)19-2/h4,6-7,15H,3H2,1-2H3,(H,13,16,18)/t6-,7-,11+/m1/s1
SMILES: CC1=C(C(=CC(=C1Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)OC)Cl
InChI: InChI=1S/C20H28Cl2O12/c1-6-11(21)7(30-2)3-8(12(6)22)32-20-18(29)16(27)14(25)10(34-20)5-31-19-17(28)15(26)13(24)9(4-23)33-19/h3,9-10,13-20,23-29H,4-5H2,1-2H3/t9-,10-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C
InChI: InChI=1S/C18H28N4O3S2/c1-12-7-5-10-16(13(12)2)19-18(26)21-20-17(23)14-8-6-9-15(11-14)27(24,25)22(3)4/h6,8-9,11-13,16H,5,7,10H2,1-4H3,(H,20,23)(H2,19,21,26)/t12-,13+,16+/m0/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)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
InChI: InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24-,25+,26-,27-,28+/m0/s1
SMILES: C1CCC2=C(C1)C(=C(S2)N3C(=O)[C@@H]4[C@@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57)C#N
InChI: InChI=1S/C27H20N2O2S/c28-13-19-14-7-5-6-12-20(14)32-27(19)29-25(30)23-21-15-8-1-2-9-16(15)22(24(23)26(29)31)18-11-4-3-10-17(18)21/h1-4,8-11,21-24H,5-7,12H2/t21?,22?,23-,24-/m0/s1
SMILES: CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=O)C4=C(N=C(C=C4)Cl)Cl
InChI: InChI=1S/C16H15Cl2N3O/c1-7-12-10(6-9-13(12)16(9,2)3)21(20-7)15(22)8-4-5-11(17)19-14(8)18/h4-5,9,13H,6H2,1-3H3/t9-,13-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](N3[C@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H25N3O4/c1-35-23-15-21(16-24(36-2)29(23)37-3)26-27(28(34)20-10-5-4-6-11-20)33-22-12-8-7-9-19(22)13-14-25(33)30(26,17-31)18-32/h4-16,25-27H,1-3H3/t25-,26-,27+/m0/s1
SMILES: CCOCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O
InChI: InChI=1S/C27H38O7/c1-5-33-11-8-23(31)34-15-22(30)27(32)10-7-19-18-12-16(2)20-13-17(28)6-9-25(20,3)24(18)21(29)14-26(19,27)4/h6,9,13,16,18-19,21,24,29,32H,5,7-8,10-12,14-15H2,1-4H3/t16-,18-,19-,21-,24+,25-,26-,27-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)OC)CC[C@@H]4[C@@]3(C=C[C@@H](C4)OC)C
InChI: InChI=1S/C22H34O4/c1-21-11-9-15(24-3)13-14(21)5-6-16-17-7-8-19(26-20(23)25-4)22(17,2)12-10-18(16)21/h9,11,14-19H,5-8,10,12-13H2,1-4H3/t14-,15-,16-,17-,18-,19-,21-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)[N+](=O)[O-]
InChI: InChI=1S/C25H18N2O5/c1-32-15-12-10-14(11-13-15)26-23(28)21-20-16-6-2-4-8-18(16)25(27(30)31,22(21)24(26)29)19-9-5-3-7-17(19)20/h2-13,20-22H,1H3/t20?,21-,22-,25?/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CC=N5
InChI: InChI=1S/C24H20N2O3/c1-15-12-20(15)22-10-9-17(29-22)13-21-18-7-2-3-8-19(18)23(27)26(24(21)28)14-16-6-4-5-11-25-16/h2-11,13,15,20H,12,14H2,1H3/b21-13-/t15-,20+/m1/s1
SMILES: C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H20Cl2N2O2/c1-20-9-3-2-4-14(20)18(20)19(25)24-23-11-13-6-8-17(26-13)12-5-7-15(21)16(22)10-12/h5-8,10-11,14,18H,2-4,9H2,1H3,(H,24,25)/b23-11-/t14-,18-,20-/m1/s1
SMILES: CCN1C2=CC=CC=C2[C@]3(C1=O)[C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=CC=CC=C6Cl
InChI: InChI=1S/C24H22ClN3O3/c1-2-26-16-10-5-3-8-14(16)24(23(26)31)20-19(18-12-7-13-27(18)24)21(29)28(22(20)30)17-11-6-4-9-15(17)25/h3-6,8-11,18-20H,2,7,12-13H2,1H3/p+1/t18-,19+,20-,24+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CCC6=CC=CS6)C[C@H](COCC7=CC=CC=C7)O)O)C(=C5)C(=O)C8=CC(=CC=C8)C(F)(F)F)O)C
InChI: InChI=1S/C46H54F3NO5S/c1-41-17-13-34(51)25-43(41)20-21-45(37(26-43)40(53)32-10-6-11-33(24-32)46(47,48)49)38(41)14-18-42(2)39(45)15-19-44(42,54)30-50(22-16-36-12-7-23-56-36)27-35(52)29-55-28-31-8-4-3-5-9-31/h3-12,20-21,23-24,26,34-35,38-39,51-52,54H,13-19,22,25,27-30H2,1-2H3/t34?,35-,38-,39-,41-,42+,43+,44-,45-/m1/s1
SMILES: C1CCN2[C@@H](C1)N[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C13H18N2O/c16-13-11-8-4-5-9(7-8)12(11)14-10-3-1-2-6-15(10)13/h4-5,8-12,14H,1-3,6-7H2/t8-,9+,10-,11+,12-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NN2C(=NN=C2S1)C)C3=CC=C(C=C3)C
InChI: InChI=1S/C15H18N4O2S/c1-4-21-14(20)13-12(11-7-5-9(2)6-8-11)18-19-10(3)16-17-15(19)22-13/h5-8,12-13,18H,4H2,1-3H3/t12-,13+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
InChI: InChI=1S/C36H56O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,19-27,29,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20?,21?,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/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)NCC5=CC=CC=C5)CSC6=NN=C(S6)C
InChI: InChI=1S/C37H38N4O4S2/c1-24-33(23-46-37-41-40-25(2)47-37)44-35(45-34(24)29-14-12-27(22-42)13-15-29)30-18-16-28(17-19-30)32-11-7-6-10-31(32)21-39-36(43)38-20-26-8-4-3-5-9-26/h3-19,24,33-35,42H,20-23H2,1-2H3,(H2,38,39,43)/t24-,33+,34+,35+/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)C(C)C
InChI: InChI=1S/C35H62O2Si/c1-12-25(23(2)3)14-13-24(4)28-15-16-29-27-22-32(36)31-21-26(37-38(10,11)33(5,6)7)17-19-35(31,9)30(27)18-20-34(28,29)8/h13-14,23-31H,12,15-22H2,1-11H3/b14-13+/t24-,25-,26+,27+,28-,29+,30+,31-,34-,35-/m1/s1
SMILES: C[C@@]12CC[C@@]34CCC([C@@H]([C@@H]3[C@H]1CC[C@H]5[C@]2(CCC6[C@@]5(CC[C@@H](C6(C)C)O)C)C)OC4)(C)C
InChI: InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19-,20?,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@@H]([C@@]2(C(C[C@]3(C2[C@@H](CC4[C@@]3(CC[C@@H]([C@@H]4O)OC(=O)/C(=C\C)/C)C)O)O)C5C1[C@@H](C6CC[C@@H](CN6C5)C)O)O)O
InChI: InChI=1S/C36H57NO10/c1-7-18(4)32(42)46-25-11-12-34(6)21(27(25)39)13-24(38)30-35(34,44)14-22-20-16-37-15-17(3)9-10-23(37)28(40)26(20)29(31(41)36(22,30)45)47-33(43)19(5)8-2/h7,17,19-31,38-41,44-45H,8-16H2,1-6H3/b18-7-/t17-,19?,20?,21?,22?,23?,24+,25-,26?,27+,28+,29+,30?,31-,34-,35+,36-/m0/s1
SMILES: C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C19H24N2O2/c22-18(11-15-10-13-6-7-14(15)9-13)20-16-3-1-4-17(12-16)21-8-2-5-19(21)23/h1,3-4,12-15H,2,5-11H2,(H,20,22)/t13-,14+,15+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C
InChI: InChI=1S/C20H27N5O2S/c1-12(2)25-19(27)15-10-6-5-9-14(15)17(24-25)18(26)22-23-20(28)21-16-11-7-4-8-13(16)3/h5-6,9-10,12-13,16H,4,7-8,11H2,1-3H3,(H,22,26)(H2,21,23,28)/t13-,16-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O
InChI: InChI=1S/C13H26O17P2/c1-25-12-10(18)8(16)11(5(29-12)3-27-32(22,23)24)30-13-9(17)7(15)6(14)4(28-13)2-26-31(19,20)21/h4-18H,2-3H2,1H3,(H2,19,20,21)(H2,22,23,24)/t4-,5-,6-,7+,8-,9-,10-,11-,12-,13-/m1/s1
SMILES: C#C/C=C\C#C[C@]1(CC(=C[C@H]2[C@@H]1OC3(O2)CCCCC3)C=O)O
InChI: InChI=1S/C19H20O4/c1-2-3-4-6-9-18(21)13-15(14-20)12-16-17(18)23-19(22-16)10-7-5-8-11-19/h1,3-4,12,14,16-17,21H,5,7-8,10-11,13H2/b4-3-/t16-,17-,18+/m0/s1
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C20H21NO3S/c1-24-20(23)17-13-9-5-6-10-16(13)25-19(17)21-18(22)15-11-14(15)12-7-3-2-4-8-12/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H,21,22)/t14-,15+/m0/s1
SMILES: C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C(C(=C(C=C5C(=O)O[C@H]([C@H]([C@@H]([C@H](OC2=O)CO)O)OC4=O)C(=O)O)O)O)O
InChI: InChI=1S/C27H20O19/c28-3-8-16(33)22-23(24(39)40)46-26(42)5-2-7(30)15(32)18(35)10(5)12-13(27(43)45-22)11(19(36)21(38)20(12)37)9-4(25(41)44-8)1-6(29)14(31)17(9)34/h1-2,8,16,22-23,28-38H,3H2,(H,39,40)/t8-,16-,22+,23-/m1/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@@H](CC[C@H]3N=C2C4=CN=CN=C4)O)OC.C(CS(=O)(=O)O)S(=O)(=O)O
InChI: InChI=1S/C20H23N3O3.C2H6O6S2/c1-3-26-19-7-14-15-6-13(24)4-5-17(15)23-20(12-9-21-11-22-10-12)16(14)8-18(19)25-2;3-9(4,5)1-2-10(6,7)8/h7-11,13,15,17,24H,3-6H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)/t13-,15-,17-;/m1./s1
SMILES: C[C@]1(CC[C@@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9+,10+,11+,12-,13+,15-,16-,17+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@@]3(N2CS1)C4=CC=CC=C4NC3=O)C(=O)C5=CC=CC=N5)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C25H20N4O4S/c30-23(19-10-3-4-11-26-19)22-21(15-6-5-7-16(12-15)29(32)33)20-13-34-14-28(20)25(22)17-8-1-2-9-18(17)27-24(25)31/h1-12,20-22H,13-14H2,(H,27,31)/t20-,21-,22+,25+/m1/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)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC(=C8)C(=O)O
InChI: InChI=1S/C40H31ClN2O8/c1-51-32-19-26(44)13-14-28(32)34-27-15-16-29-33(37(47)42(35(29)45)24-11-5-7-21(17-24)38(48)49)30(27)20-31-36(46)43(25-12-6-10-23(41)18-25)39(50)40(31,34)22-8-3-2-4-9-22/h2-15,17-19,29-31,33-34,44H,16,20H2,1H3,(H,48,49)/t29-,30+,31-,33-,34+,40+/m0/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NNC(=O)C2=CC=CC=C2I)C(=O)O
InChI: InChI=1S/C15H17IN2O4/c16-12-8-4-3-7-11(12)14(20)18-17-13(19)9-5-1-2-6-10(9)15(21)22/h3-4,7-10H,1-2,5-6H2,(H,17,19)(H,18,20)(H,21,22)/t9-,10+/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(Cl)(Cl)Cl)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C41H43Cl3N4O5/c1-27-35(24-47-19-17-40(18-20-47)38(50)46-26-48(40)34-11-3-2-4-12-34)52-37(53-36(27)30-15-13-28(25-49)14-16-30)33-10-6-9-32(22-33)31-8-5-7-29(21-31)23-45-39(51)41(42,43)44/h2-16,21-22,27,35-37,49H,17-20,23-26H2,1H3,(H,45,51)(H,46,50)/t27-,35+,36+,37+/m1/s1
SMILES: C1COC[C@@H]1NC2=C3C(=NC=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CSC5=CC=C(C=C5)Cl)O)O
InChI: InChI=1S/C20H22ClN5O4S/c21-11-1-3-13(4-2-11)31-8-14-16(27)17(28)20(30-14)26-10-24-15-18(22-9-23-19(15)26)25-12-5-6-29-7-12/h1-4,9-10,12,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t12-,14-,16-,17-,20?/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C22H24N2O4/c1-14-7-2-5-12-19(14)24-20(25)15-8-6-9-16(13-15)23-21(26)17-10-3-4-11-18(17)22(27)28/h2,5-9,12-13,17-18H,3-4,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t17-,18-/m1/s1
SMILES: CCS[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)SCCF
InChI: InChI=1S/C23H32F2O2S2/c1-4-28-22(29-12-11-24)10-8-17-18-6-5-15-13-16(26)7-9-20(15,2)23(18,25)19(27)14-21(17,22)3/h7,9,13,17-19,27H,4-6,8,10-12,14H2,1-3H3/t17-,18-,19-,20-,21-,22-,23?/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C(C(F)(F)F)(F)F)O)CCC4=C(C(=O)CC[C@H]34)O
InChI: InChI=1S/C20H25F5O3/c1-17-8-6-11-10-4-5-15(26)16(27)13(10)3-2-12(11)14(17)7-9-18(17,28)19(21,22)20(23,24)25/h10-12,14,27-28H,2-9H2,1H3/t10-,11-,12-,14+,17+,18+/m1/s1
SMILES: C1=CC=C2[C@@H]3C([C@H]([C@H](N3C=CC2=C1)C(=O)C4=CC=C(C=C4)F)C5=CC(=CC=C5)F)(C#N)C#N
InChI: InChI=1S/C27H17F2N3O/c28-20-10-8-18(9-11-20)25(33)24-23(19-5-3-6-21(29)14-19)27(15-30,16-31)26-22-7-2-1-4-17(22)12-13-32(24)26/h1-14,23-24,26H/t23-,24-,26+/m0/s1
SMILES: CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=C(C=C3)N(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C
InChI: InChI=1S/C40H48N4O3/c1-40(2)46-37-35(25-29-17-21-33(22-18-29)41(3)4)43(27-31-13-9-7-10-14-31)39(45)44(28-32-15-11-8-12-16-32)36(38(37)47-40)26-30-19-23-34(24-20-30)42(5)6/h7-24,35-38H,25-28H2,1-6H3/t35-,36-,37+,38+/m1/s1
SMILES: C[C@@]12CC[C@@H](C[C@H]1[C@]3([C@H](O3)CC2)C)C4(CO4)C
InChI: InChI=1S/C15H24O2/c1-13-6-4-10(14(2)9-16-14)8-11(13)15(3)12(17-15)5-7-13/h10-12H,4-9H2,1-3H3/t10-,11+,12+,13-,14?,15-/m0/s1
SMILES: C1C[C@@H]([C@@H](O[C@H]1CN)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N.OS(=O)(=O)O
InChI: InChI=1S/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)/t6-,7+,8-,9+,10-,11+,12-,13-,14-,15+,16-,17+,18-;/m1./s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@H]([C@]4(C)CC(=O)O)C(C)(C)C=O)C)[C@@H]2[C@H]1C)C)C
InChI: InChI=1S/C30H48O3/c1-19-11-13-27(5)15-16-29(7)21(25(27)20(19)2)9-10-23-28(6,17-24(32)33)22(26(3,4)18-31)12-14-30(23,29)8/h9,18-20,22-23,25H,10-17H2,1-8H3,(H,32,33)/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CC2=COC=C2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO)C(C)C
InChI: InChI=1S/C34H45IN2O9/c1-20(2)25-6-5-21(3)11-28(25)45-19-31(40)37(16-22-7-10-44-18-22)27-14-24(34(42)36-8-9-38)15-29(32(27)41)46-33-26(35)12-23(17-39)13-30(33)43-4/h7,10,12-13,15,17-18,20-21,25,27-29,32,38,41H,5-6,8-9,11,14,16,19H2,1-4H3,(H,36,42)/t21-,25+,27+,28-,29-,32-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CCOCCO)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C57H81N3O9/c1-4-6-7-8-9-10-11-12-16-28-54(64)60(31-36-65-37-34-63)53-40-51(59-68-41-44-23-14-13-15-24-44)49-38-45(25-17-19-32-61)48(27-18-20-33-62)55-50-39-47(66-42-46-26-21-22-43(3)58-46)29-30-52(50)69-57(53,56(49)55)67-35-5-2/h5,13-15,21-24,26,29-30,38-39,45,48,53,55-56,61-63H,2,4,6-12,16-20,25,27-28,31-37,40-42H2,1,3H3/t45-,48+,53-,55+,56+,57+/m0/s1
SMILES: C\1[C@H]([C@@H]2CO[C@H](/C1=N\NC(=S)N)O2)N3C4=CC=CC=C4N=N3
InChI: InChI=1S/C13H14N6O2S/c14-13(22)17-15-8-5-10(11-6-20-12(8)21-11)19-9-4-2-1-3-7(9)16-18-19/h1-4,10-12H,5-6H2,(H3,14,17,22)/b15-8-/t10-,11+,12+/m1/s1
SMILES: C[C@@H]1[C@@H](N(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C22H21NO2S/c1-16-12-14-19(15-13-16)26(24,25)23-21-11-7-6-10-20(21)17(2)22(23)18-8-4-3-5-9-18/h3-15,17,22H,1-2H3/t17-,22+/m0/s1