EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI: InChI=1S/C41H66O13/c1-36(2)14-15-41(35(50)54-33-31(48)28(45)22(43)19-51-33)21(16-36)20-8-9-25-38(5)12-11-27(53-34-32(49)30(47)29(46)23(18-42)52-34)37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)44/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1
SMILES: CC1=NN=C(O1)C23[C@@H]4[C@@H](C4(C)C)C([C@@H]5[C@H]2C5(C)C)(N=N3)C6=NN=C(O6)C
InChI: InChI=1S/C18H22N6O2/c1-7-19-21-13(25-7)17-9-11(15(9,3)4)18(24-23-17,12-10(17)16(12,5)6)14-22-20-8(2)26-14/h9-12H,1-6H3/t9-,10+,11+,12-,17?,18?
SMILES: C[C@H](CC=C)C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1OC(=O)[C@H](C)CC=C)OC)CO)OC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C26H35NO9/c1-6-11-16(3)23(29)34-21-20(36-26(31)27-18-13-9-8-10-14-18)19(15-28)33-25(32-5)22(21)35-24(30)17(4)12-7-2/h6-10,13-14,16-17,19-22,25,28H,1-2,11-12,15H2,3-5H3,(H,27,31)/t16-,17-,19-,20-,21+,22+,25+/m1/s1
SMILES: CC(C)N1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=CC=CC=C4N(C3=O)C)CCSC
InChI: InChI=1S/C20H25N3O3S/c1-11(2)23-17(24)15-13(9-10-27-4)21-20(16(15)18(23)25)12-7-5-6-8-14(12)22(3)19(20)26/h5-8,11,13,15-16,21H,9-10H2,1-4H3/p+1/t13-,15-,16+,20-/m1/s1
SMILES: CCCCCCO[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OCCCCCC)OCC2=CC=CC=C2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC)COCC6=CC=CC=C6)COCC7=CC=CC=C7
InChI: InChI=1S/C60H78O11/c1-4-6-8-25-37-64-53-51(44-62-39-46-27-15-10-16-28-46)70-60(58(55(53)65-38-26-9-7-5-2)68-43-50-35-23-14-24-36-50)71-54-52(45-63-40-47-29-17-11-18-30-47)69-59(61-3)57(67-42-49-33-21-13-22-34-49)56(54)66-41-48-31-19-12-20-32-48/h10-24,27-36,51-60H,4-9,25-26,37-45H2,1-3H3/t51-,52-,53+,54-,55+,56+,57-,58-,59-,60+/m1/s1
SMILES: CC(=O)NCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCCCCC(=O)O
InChI: InChI=1S/C43H72N2O5/c1-29(28-45-30(2)46)31-19-24-43(38(50)44-27-15-13-11-9-8-10-12-14-16-36(48)49)26-25-41(6)32(37(31)43)17-18-34-40(5)22-21-35(47)39(3,4)33(40)20-23-42(34,41)7/h31-35,37,47H,1,8-28H2,2-7H3,(H,44,50)(H,45,46)(H,48,49)/t31-,32+,33-,34+,35-,37+,40-,41+,42+,43-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@@H](C=CC1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C26H34O4Si/c1-26(2,3)31(4,5)30-24-22(27)16-17-23(28-18-20-12-8-6-9-13-20)25(24)29-19-21-14-10-7-11-15-21/h6-17,23-25H,18-19H2,1-5H3/t23-,24+,25+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@]2([C@H]3[C@H]([C@]1(C)O)OC(=O)[C@H]2O[C@H]3OC)NC(=O)C(Cl)(Cl)Cl)OC(=O)C
InChI: InChI=1S/C17H20Cl3NO10/c1-5(22)28-9-10(29-6(2)23)16(21-14(25)17(18,19)20)7-8(15(9,3)26)30-12(24)11(16)31-13(7)27-4/h7-11,13,26H,1-4H3,(H,21,25)/t7-,8+,9-,10+,11+,13+,15-,16+/m0/s1
SMILES: C/C/1=C(/CCC(=O)CC/C=C/C=C/[C@@]2(COC(O[C@@H]2CC1)(C)C)C)\C=O
InChI: InChI=1S/C22H32O4/c1-17-10-13-20-22(4,16-25-21(2,3)26-20)14-8-6-5-7-9-19(24)12-11-18(17)15-23/h5-6,8,14-15,20H,7,9-13,16H2,1-4H3/b6-5+,14-8+,18-17+/t20-,22-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CC2=C(C=CC=C2Cl)F
InChI: InChI=1S/C17H23ClFN3OS/c1-10-5-3-8-15(11(10)2)20-17(24)22-21-16(23)9-12-13(18)6-4-7-14(12)19/h4,6-7,10-11,15H,3,5,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)/t10-,11+,15+/m0/s1
SMILES: CCC(=O)C(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C28H28Cl2N2O8/c1-3-21(35)28(38)32(12-15-4-5-16(29)10-19(15)30)20-11-18(27(37)31-6-7-33)23-17-8-14(13-34)9-22(39-2)25(17)40-26(23)24(20)36/h4-5,8-11,13,20,23-24,26,33,36H,3,6-7,12H2,1-2H3,(H,31,37)/t20-,23+,24+,26+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCC[C@@H]2[C@H]([C@H](C(O2)O)O)O)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C24H31NO8S/c1-16-11-13-18(14-12-16)34(30,31)25-19(23(28)32-15-17-7-3-2-4-8-17)9-5-6-10-20-21(26)22(27)24(29)33-20/h2-4,7-8,11-14,19-22,24-27,29H,5-6,9-10,15H2,1H3/t19-,20+,21+,22+,24?/m0/s1
SMILES: CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H28F3N3O3/c1-26(14-20(29)27-11-10-15-4-2-3-5-16(15)12-27)13-19(28)25-17-6-8-18(9-7-17)30-21(22,23)24/h6-9,15-16H,2-5,10-14H2,1H3,(H,25,28)/t15-,16+/m0/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]4[C@H](C3([C@H]2COC(=O)N)OC)N4)CCO
InChI: InChI=1S/C17H21N3O6/c1-7-8(3-4-21)14(23)11-9(6-26-16(18)24)17(25-2)15-10(19-15)5-20(17)12(11)13(7)22/h9-10,15,19,21H,3-6H2,1-2H3,(H2,18,24)/t9-,10+,15+,17?/m0/s1
SMILES: C1=CC=C(C=C1)OC(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O
InChI: InChI=1S/C17H21N6O13P3S/c18-14-12-15(20-7-19-14)23(8-21-12)16-11(22-17(25)33-9-4-2-1-3-5-9)13(24)10(34-16)6-32-37(26,27)35-38(28,29)36-39(30,31)40/h1-5,7-8,10-11,13,16,24H,6H2,(H,22,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,30,31,40)/t10-,11-,13-,16-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=CC=C3)CCC(=O)OC
InChI: InChI=1S/C18H25NO2/c1-19-14-8-10-17(19)15(9-11-18(20)21-2)16(12-14)13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15-,16+,17+/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)CO
InChI: InChI=1S/C25H19NO3/c27-14-25-18-12-6-4-10-16(18)20(17-11-5-7-13-19(17)25)21-22(25)24(29)26(23(21)28)15-8-2-1-3-9-15/h1-13,20-22,27H,14H2/t20?,21-,22+,25?/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)CSC3=NN=C(O3)COC4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H20ClN3O3S/c19-13-3-5-14(6-4-13)24-9-17-21-22-18(25-17)26-10-16(23)20-15-8-11-1-2-12(15)7-11/h3-6,11-12,15H,1-2,7-10H2,(H,20,23)/t11-,12+,15-/m0/s1
SMILES: C[NH+](C)CC1=CN(N=N1)C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C21H30N6O/c1-25(2)12-18-13-27(24-23-18)14-19-10-17-8-9-26(19)15-20(17)21(28)22-11-16-6-4-3-5-7-16/h3-7,13,17,19-20H,8-12,14-15H2,1-2H3,(H,22,28)/p+2/t17-,19+,20-/m0/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)Br)Br)O
InChI: InChI=1S/C36H23Br3N2O7/c1-47-26-13-20(30(38)31(39)33(26)44)27-17-10-11-18-28(19(17)12-21-29(27)24(42)14-22(37)32(21)43)36(46)41(35(18)45)16-8-6-15(7-9-16)34-40-23-4-2-3-5-25(23)48-34/h2-10,13-14,18-19,27-28,44H,11-12H2,1H3/t18-,19+,27+,28-/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCCCCCC9
InChI: InChI=1S/C58H60N4O10/c1-37(2)48(54(65)70-4)59-57(68)61-46-31-24-39(21-20-38-22-27-43(69-3)28-23-38)36-45(46)58(56(61)67)47(53(64)60-32-14-6-5-7-15-33-60)50-55(66)72-51(41-18-12-9-13-19-41)49(40-16-10-8-11-17-40)62(50)52(58)42-25-29-44(30-26-42)71-35-34-63/h8-13,16-19,22-31,36-37,47-52,63H,5-7,14-15,32-35H2,1-4H3,(H,59,68)/t47-,48-,49-,50-,51+,52+,58-/m0/s1
SMILES: CCC1=C([C@@]2(C(=O)C3=CC=CC=C3[C@]2(N1)O)O)C(=O)OCC
InChI: InChI=1S/C16H17NO5/c1-3-11-12(14(19)22-4-2)15(20)13(18)9-7-5-6-8-10(9)16(15,21)17-11/h5-8,17,20-21H,3-4H2,1-2H3/t15-,16-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C24H25N5O3/c1-23(2,3)32-22(30)29-10-9-17-18(11-25)21(28)24(13-26,14-27)20(19(17)12-29)15-5-7-16(31-4)8-6-15/h5-9,19-20H,10,12,28H2,1-4H3/t19-,20+/m1/s1
SMILES: C[C@@H]1C[C@]([C@H]2CCCC[C@@H]2N1C)(C=C)OC(=O)C3=CC=CC=C3.Cl
InChI: InChI=1S/C20H27NO2.ClH/c1-4-20(23-19(22)16-10-6-5-7-11-16)14-15(2)21(3)18-13-9-8-12-17(18)20;/h4-7,10-11,15,17-18H,1,8-9,12-14H2,2-3H3;1H/t15-,17+,18+,20+;/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)NC(=S)CCCCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
InChI: InChI=1S/C52H54N4O8S/c1-34-31-56(50(58)55-49(34)57)48-30-45(54-47(65)20-8-5-13-29-53-51(59)62-32-44-42-18-11-9-16-40(42)41-17-10-12-19-43(41)44)46(64-48)33-63-52(35-14-6-4-7-15-35,36-21-25-38(60-2)26-22-36)37-23-27-39(61-3)28-24-37/h4,6-7,9-12,14-19,21-28,31,44-46,48H,5,8,13,20,29-30,32-33H2,1-3H3,(H,53,59)(H,54,65)(H,55,57,58)/t45-,46+,48+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCC3=CC(=C(C=C3[C@@H]2CC(=O)OC)OC)OC
InChI: InChI=1S/C23H34N2O5/c1-15-7-5-6-8-18(15)24-22(26)14-25-10-9-16-11-20(28-2)21(29-3)12-17(16)19(25)13-23(27)30-4/h11-12,15,18-19H,5-10,13-14H2,1-4H3,(H,24,26)/p+1/t15-,18-,19+/m1/s1
SMILES: CC1=CC=CC=C1[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C24H20N2O3/c1-16-10-8-9-15-19(16)21-20-22(29-26(21)18-13-6-3-7-14-18)24(28)25(23(20)27)17-11-4-2-5-12-17/h2-15,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CCC[C@@]2([C@H]1[C@]34C(=O)C5=C(C(=CC=C5)OC(=O)C)C(=O)[C@]3(O4)CC2)O
InChI: InChI=1S/C29H40O7Si/c1-16(2)37(17(3)4,18(5)6)35-22-12-9-13-27(33)14-15-28-26(32)23-20(10-8-11-21(23)34-19(7)30)25(31)29(28,36-28)24(22)27/h8,10-11,16-18,22,24,33H,9,12-15H2,1-7H3/t22-,24+,27-,28-,29+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)N[C@@H]4CN5CCC4CC5
InChI: InChI=1S/C20H25ClN2O2/c21-13-9-15-14-3-1-2-4-18(14)25-19(15)16(10-13)20(24)22-17-11-23-7-5-12(17)6-8-23/h9-10,12,14,17-18H,1-8,11H2,(H,22,24)/t14-,17+,18-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCC(CC3)(C4=CC=C(C=C4)Cl)O)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(S6)C)C
InChI: InChI=1S/C39H48ClNO4S/c1-26-5-4-17-37(3)34(16-18-39(37,45)25-41-21-19-38(44,20-22-41)29-9-11-30(40)12-10-29)32-14-8-28(23-31(42)13-6-26)24-33(32)36(43)35-15-7-27(2)46-35/h5,7-12,14-15,24,31,34,42,44-45H,4,6,13,16-23,25H2,1-3H3/t31-,34-,37-,39+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O[C@@H]3[C@@H]([C@H](C([C@H](O3)CO)N[C@@H]4[C@@H]([C@H]([C@@H]([C@]5([C@@H]4O5)CO)O)O)O)O)O)O
InChI: InChI=1S/C25H43NO20/c27-1-5-8(26-9-11(32)14(35)20(39)25(4-30)21(9)46-25)10(31)16(37)23(42-5)45-19-7(3-29)43-24(17(38)13(19)34)44-18-6(2-28)41-22(40)15(36)12(18)33/h5-24,26-40H,1-4H2/t5-,6-,7-,8?,9-,10+,11+,12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,22?,23-,24-,25+/m1/s1
SMILES: C[C]([CH2])[CH2].C[C]([CH2])[CH2].C1[C@@H]([C@H](CN1CC2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6.[Ru]
InChI: InChI=1S/C35H33NP2.2C4H7.Ru/c1-6-16-29(17-7-1)26-36-27-34(37(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(28-36)38(32-22-12-4-13-23-32)33-24-14-5-15-25-33;2*1-4(2)3;/h1-25,34-35H,26-28H2;2*1-2H2,3H3;/t34-,35-;;;/m0.../s1
SMILES: CCNC1=NC(=CS1)C2=NC3=C(C=C(C(=C3)C)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)NC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O
InChI: InChI=1S/C39H51N7O7S/c1-8-22-18-39(22,35(49)50)45-33(47)29-15-24(19-46(29)34(48)32(38(4,5)6)44-36(51)41-23-12-10-11-13-23)53-31-17-27(28-20-54-37(43-28)40-9-2)42-26-14-21(3)30(52-7)16-25(26)31/h8,14,16-17,20,22-24,29,32H,1,9-13,15,18-19H2,2-7H3,(H,40,43)(H,45,47)(H,49,50)(H2,41,44,51)/t22-,24-,29+,32-,39-/m1/s1
SMILES: CC(=O)N1[C@H]([C@H]2C(=N1)C3CCN2CC3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C17H21N3O2/c1-11(21)20-16(13-3-5-14(22-2)6-4-13)17-15(18-20)12-7-9-19(17)10-8-12/h3-6,12,16-17H,7-10H2,1-2H3/t16-,17+/m0/s1
SMILES: COC1=CC(=C(C=C1CN2CCN(CC2)C[C@H]3C[C@H]4C[C@@H]3C=C4)OC)OC
InChI: InChI=1S/C22H32N2O3/c1-25-20-13-22(27-3)21(26-2)12-19(20)15-24-8-6-23(7-9-24)14-18-11-16-4-5-17(18)10-16/h4-5,12-13,16-18H,6-11,14-15H2,1-3H3/t16-,17+,18-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=CC=C(C=C9)N1CCOCC1
InChI: InChI=1S/C58H60N4O11/c1-69-36-37-72-56(67)61-47-25-16-39(26-29-57(68)27-10-2-3-11-28-57)38-46(47)58(55(61)66)48(53(64)59-43-19-21-44(22-20-43)60-30-33-70-34-31-60)50-54(65)73-51(41-14-8-5-9-15-41)49(40-12-6-4-7-13-40)62(50)52(58)42-17-23-45(24-18-42)71-35-32-63/h4-9,12-25,38,48-52,63,68H,2-3,10-11,27-28,30-37H2,1H3,(H,59,64)/t48-,49-,50-,51+,52+,58-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C(=O)N
InChI: InChI=1S/C27H16Cl2F5N3O6/c28-26-7-12-10(5-6-11-13(12)22(40)37(21(11)39)25(35)43)14(8-1-3-9(38)4-2-8)27(26,29)24(42)36(23(26)41)20-18(33)16(31)15(30)17(32)19(20)34/h1-5,11-14,38H,6-7H2,(H2,35,43)/t11-,12+,13-,14-,26+,27-/m0/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)OC)(CCSC)C(=O)OC
InChI: InChI=1S/C19H24N2O5S/c1-21-16(22)13-14(17(21)23)19(9-10-27-4,18(24)26-3)20-15(13)11-5-7-12(25-2)8-6-11/h5-8,13-15,20H,9-10H2,1-4H3/t13-,14-,15+,19+/m0/s1
SMILES: CC1(CC2=C([C@@H]([C@@H]3C(=N2)C4=CC=CC=C4C3=O)C5=CC=CC=C5Cl)C(=O)C1)C
InChI: InChI=1S/C24H20ClNO2/c1-24(2)11-17-20(18(27)12-24)19(15-9-5-6-10-16(15)25)21-22(26-17)13-7-3-4-8-14(13)23(21)28/h3-10,19,21H,11-12H2,1-2H3/t19-,21+/m0/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)OC(=O)C
InChI: InChI=1S/C24H26O10/c1-13(25)29-12-20-21(30-14(2)26)22(31-15(3)27)23(32-16(4)28)24(34-20)33-19-10-9-17-7-5-6-8-18(17)11-19/h5-11,20-24H,12H2,1-4H3/t20-,21-,22+,23-,24-/m1/s1
SMILES: B1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)SCC)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H27BO7S/c1-2-37-28-25(35-27(31)20-14-8-4-9-15-20)24(34-26(30)19-12-6-3-7-13-19)23-22(33-28)18-32-29(36-23)21-16-10-5-11-17-21/h3-17,22-25,28H,2,18H2,1H3/t22-,23+,24+,25-,28+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2=CC3=C(C=C2)[C@H]4CC[C@@]5([C@H](CC[C@H]5[C@@H]4CC3)C=C)C)O)O)O
InChI: InChI=1S/C26H36O5/c1-4-16-6-10-21-20-8-5-15-13-17(7-9-18(15)19(20)11-12-26(16,21)3)31-25-24(29)23(28)22(27)14(2)30-25/h4,7,9,13-14,16,19-25,27-29H,1,5-6,8,10-12H2,2-3H3/t14-,16+,19-,20-,21+,22+,23+,24-,25-,26-/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O3/c1-2-13-7-3-6-10-16(13)20-17(22)11-12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-7,10,14-15H,2,8-9,11-12H2,1H3,(H,20,22)/t14-,15-/m0/s1
SMILES: C1[C@@H]2C=CO[C@H]([C@@H]2[C@@]([C@@H]1O)(CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C15H24O10/c16-4-7-10(19)11(20)12(21)14(24-7)25-13-9-6(1-2-23-13)3-8(18)15(9,22)5-17/h1-2,6-14,16-22H,3-5H2/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1
SMILES: CCCCC(CC1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CSC=C3)CC4=C(C=C(C=C4)Cl)Cl)OC
InChI: InChI=1S/C28H40Cl2N2OS/c1-3-4-5-26(33-2)14-21-8-11-31(12-9-21)17-24-18-32(19-27(24)23-10-13-34-20-23)16-22-6-7-25(29)15-28(22)30/h6-7,10,13,15,20-21,24,26-27H,3-5,8-9,11-12,14,16-19H2,1-2H3/t24-,26?,27+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)CS(=O)(=O)C(C)(C)C)C)[C@H](C)C(=O)NCCOC)O
InChI: InChI=1S/C24H40N2O5S2/c1-14(22(28)25-10-11-31-7)16-8-9-24(6)12-17-20(15(2)19(24)21(16)27)26-18(32-17)13-33(29,30)23(3,4)5/h14-16,19,21,27H,8-13H2,1-7H3,(H,25,28)/t14-,15-,16-,19+,21-,24-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CC[C@H]([C@H]2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C3
InChI: InChI=1S/C20H20N2O5S/c1-13-2-9-17(10-3-13)28(26,27)21-16-8-11-18(19(23)12-16)20(21)14-4-6-15(7-5-14)22(24)25/h2-7,9-10,16,18,20H,8,11-12H2,1H3/t16-,18+,20-/m1/s1
SMILES: CC(C)COC1=CC=C(C=C1)C(=O)O[C@H]2CC(OC[C@@H]2CN(C)C)(C)C
InChI: InChI=1S/C21H33NO4/c1-15(2)13-24-18-9-7-16(8-10-18)20(23)26-19-11-21(3,4)25-14-17(19)12-22(5)6/h7-10,15,17,19H,11-14H2,1-6H3/t17-,19-/m0/s1
SMILES: CCOC(=O)O[C@H](C)/C=C\[C@H]([C@H]1[C@@H]([C@H](C[C@H](O1)CC(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C30H38O9/c1-4-35-30(33)38-21(2)15-16-25(31)28-29(37-20-23-13-9-6-10-14-23)26(17-24(39-28)18-27(32)34-3)36-19-22-11-7-5-8-12-22/h5-16,21,24-26,28-29,31H,4,17-20H2,1-3H3/b16-15-/t21-,24+,25-,26+,28+,29-/m1/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=C5C(=O)O
InChI: InChI=1S/C34H34N2O6S/c1-22-29(21-43-30-13-6-5-12-28(30)32(38)39)41-33(42-31(22)25-16-14-24(20-37)15-17-25)26-10-7-11-27(18-26)36-34(40)35-19-23-8-3-2-4-9-23/h2-18,22,29,31,33,37H,19-21H2,1H3,(H,38,39)(H2,35,36,40)/t22-,29+,31+,33+/m1/s1
SMILES: C1CN(CCN1C[C@H]2C[C@H]3C[C@@H]2C=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5
InChI: InChI=1S/C25H30N2O/c1-2-6-24(7-3-1)28-25-8-4-5-21(17-25)18-26-11-13-27(14-12-26)19-23-16-20-9-10-22(23)15-20/h1-10,17,20,22-23H,11-16,18-19H2/t20-,22+,23-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(C(=CC=C2)OC)OC
InChI: InChI=1S/C20H29NO5/c1-12-8-6-10-16(13(12)2)21-19(22)14(3)26-20(23)15-9-7-11-17(24-4)18(15)25-5/h7,9,11-14,16H,6,8,10H2,1-5H3,(H,21,22)/t12-,13-,14-,16+/m1/s1
SMILES: CC(C)[C@@H]1COC(=O)N1C(=O)[C@@H]2C[C@]2([Si](C)(C)C)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChI: InChI=1S/C25H50N3O3PSi/c1-16(2)22-15-31-24(30)26(22)23(29)21-14-25(21,33(11,12)13)32(27(17(3)4)18(5)6)28(19(7)8)20(9)10/h16-22H,14-15H2,1-13H3/t21-,22-,25+/m0/s1
SMILES: C1=CC2=C(C(=C1)O)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=CC=C6)O
InChI: InChI=1S/C26H21N3O10/c30-7-12-21(33)22(34)23(35)26(38-12)39-29-19-9(4-2-6-11(19)32)14-16-15(24(36)28-25(16)37)13-8-3-1-5-10(31)17(8)27-18(13)20(14)29/h1-6,12,21-23,26-27,30-35H,7H2,(H,28,36,37)/t12-,21-,22+,23-,26+/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C[C@@H](C4=C[C@@H](CC[C@@]34C)O)O)C
InChI: InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14-19,21,25-26H,4-11,13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17-,18+,19-,21+,23-,24+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)CC(C)(C)C)C)[C@H](C)C(=O)N4CCN(CC4)C)O
InChI: InChI=1S/C27H44N4O3S/c1-16(24(34)31-12-10-30(7)11-13-31)18-8-9-27(6)14-19-22(17(2)21(27)23(18)33)29-25(35-19)28-20(32)15-26(3,4)5/h16-18,21,23,33H,8-15H2,1-7H3,(H,28,29,32)/t16-,17-,18-,21+,23-,27+/m0/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H]([C@@H](O2)C(=O)OC)OC(O3)(C)C)C
InChI: InChI=1S/C14H22O7/c1-13(2)17-6-7(19-13)8-9-10(21-14(3,4)20-9)11(18-8)12(15)16-5/h7-11H,6H2,1-5H3/t7-,8+,9-,10-,11+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C32H27BrCl2N2O10/c1-46-22-9-14(10-23(47-2)25(22)39)3-8-20-16-6-7-18-24(19(16)12-31(34)29(44)36(13-33)30(45)32(20,31)35)27(41)37(26(18)40)15-4-5-17(28(42)43)21(38)11-15/h3-6,8-11,18-20,24,38-39H,7,12-13H2,1-2H3,(H,42,43)/t18-,19+,20-,24-,31+,32-/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)OC)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H33Cl3F3N5O7/c1-50(35-28(43)13-15-32(48-35)41(45,46)47)52-36(54)25-12-11-23-26(33(25)38(52)56)18-27-37(55)51(49-30-14-6-20(42)16-29(30)44)39(57)40(27,19-4-8-22(58-2)9-5-19)34(23)24-10-7-21(53)17-31(24)59-3/h4-11,13-17,25-27,33-34,49,53H,12,18H2,1-3H3/t25-,26+,27-,33-,34+,40+/m0/s1
SMILES: C[C@]12[C@@H]3[C@H]1C=C[C@@]24[C@@H](C3)CC[C@@]4(CCC=C)O
InChI: InChI=1S/C16H22O/c1-3-4-7-15(17)8-5-11-10-13-12-6-9-16(11,15)14(12,13)2/h3,6,9,11-13,17H,1,4-5,7-8,10H2,2H3/t11-,12-,13+,14-,15-,16-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC(=O)C[C@@H]([C@H]4C[C@@]3(OO4)C)I)C
InChI: InChI=1S/C27H45IO3/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19(29)15-24(28)25-16-27(5,31-30-25)23(20)13-14-26(21,22)4/h17-18,20-25H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@@]1(CCC(C2)(OC)OC)C)CC[C@@]4([C@]3(CCC4=O)O)C
InChI: InChI=1S/C22H36O4/c1-18-9-6-16-15(7-10-20(3)17(23)8-11-22(16,20)24)19(18,2)12-13-21(14-18,25-4)26-5/h15-16,24H,6-14H2,1-5H3/t15-,16+,18-,19-,20-,22+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)NCCC5=CC=CC=N5)C6=C(C=CC(=C6)C#CCN7C8=CC=CC=C8N=N7)NC4=O)C9=CC=CC=C9OCCO)C1=CC=CC=C1
InChI: InChI=1S/C51H43N7O6/c59-30-31-63-42-23-10-7-20-37(42)47-51(38-32-33(24-25-39(38)54-50(51)62)14-13-29-57-41-22-9-8-21-40(41)55-56-57)43(48(60)53-28-26-36-19-11-12-27-52-36)45-49(61)64-46(35-17-5-2-6-18-35)44(58(45)47)34-15-3-1-4-16-34/h1-12,15-25,27,32,43-47,59H,26,28-31H2,(H,53,60)(H,54,62)/t43-,44-,45-,46+,47+,51-/m0/s1
SMILES: C[C@@H]1[C@@H](OC(O1)(C)C)C2C(OC(=O)O2)/C=C/C=C/C#N
InChI: InChI=1S/C14H17NO5/c1-9-11(20-14(2,3)19-9)12-10(17-13(16)18-12)7-5-4-6-8-15/h4-7,9-12H,1-3H3/b6-4+,7-5+/t9-,10?,11-,12?/m1/s1
SMILES: CC1=C(C2=C(N1)C3=CC=CC=C3C=C2)[C@H]4[C@H](C4(C)C)CCNC(=O)CCl
InChI: InChI=1S/C22H25ClN2O/c1-13-19(20-17(22(20,2)3)10-11-24-18(26)12-23)16-9-8-14-6-4-5-7-15(14)21(16)25-13/h4-9,17,20,25H,10-12H2,1-3H3,(H,24,26)/t17-,20-/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(=S)(OC6=CC=C(C=C6)Cl)OP(=O)(OC7=CC=CC=C7)OC8=CC=CC=C8
InChI: InChI=1S/C49H45ClN2O12P2S/c1-34-32-52(48(54)51-47(34)53)46-31-44(45(59-46)33-58-49(35-13-7-4-8-14-35,36-19-25-39(56-2)26-20-36)37-21-27-40(57-3)28-22-37)63-66(67,62-43-29-23-38(50)24-30-43)64-65(55,60-41-15-9-5-10-16-41)61-42-17-11-6-12-18-42/h4-30,32,44-46H,31,33H2,1-3H3,(H,51,53,54)/t44-,45+,46+,66?/m0/s1
SMILES: C[C@@H]1C([C@@H]([C@H](O1)C(=O)O)CC2=CC=CC=C2)(C)C
InChI: InChI=1S/C15H20O3/c1-10-15(2,3)12(13(18-10)14(16)17)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3,(H,16,17)/t10-,12-,13+/m1/s1
SMILES: C1CCN(CC1)CCCOCC2[C@H]3[C@@H]2CN(C3)CC4=CC(=CC=C4)OC5=CC=CC=C5
InChI: InChI=1S/C27H36N2O2/c1-3-10-23(11-4-1)31-24-12-7-9-22(17-24)18-29-19-25-26(20-29)27(25)21-30-16-8-15-28-13-5-2-6-14-28/h1,3-4,7,9-12,17,25-27H,2,5-6,8,13-16,18-21H2/t25-,26+,27?
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@H]3[C@@H]([C@H](OC([C@@H]3O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)OC5[C@@H]([C@@H](O1)[C@@H](C(O5)CO)O)O)O)CO)O)O)O)O
InChI: InChI=1S/C24H40O20/c25-1-5-10(29)18-15(34)22(38-5)43-20-12(31)7(3-27)40-24(17(20)36)44-23-16(35)19(11(30)6(2-26)39-23)42-21-14(33)13(32)9(28)8(41-21)4-37-18/h5-36H,1-4H2/t5?,6-,7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18+,19+,20+,21?,22?,23?,24?/m1/s1
SMILES: CC1=C(OC(=O)O1)COC(=O)C2=C(S[C@H]3N2C(=O)[C@@H]3[C@@H](C)O[Si](C)(C)C(C)(C)C)COC
InChI: InChI=1S/C21H31NO8SSi/c1-11-13(29-20(25)28-11)9-27-19(24)16-14(10-26-6)31-18-15(17(23)22(16)18)12(2)30-32(7,8)21(3,4)5/h12,15,18H,9-10H2,1-8H3/t12-,15+,18-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4C=C[C@@H]([C@H]2[C@@H]1CC5=C3C(=C(C=C5)O)O4)Cl
InChI: InChI=1S/C17H18ClNO2/c1-19-7-6-17-13-5-3-10(18)15(17)11(19)8-9-2-4-12(20)16(21-13)14(9)17/h2-5,10-11,13,15,20H,6-8H2,1H3/t10-,11-,13-,15-,17+/m0/s1
SMILES: COC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)CC7=CC=CC=C7
InChI: InChI=1S/C34H23Cl2F5N2O6/c1-49-19-9-5-8-17(28(19)44)21-15-10-11-16-20(30(46)42(29(16)45)13-14-6-3-2-4-7-14)18(15)12-33(35)31(47)43(32(48)34(21,33)36)27-25(40)23(38)22(37)24(39)26(27)41/h2-10,16,18,20-21,44H,11-13H2,1H3/t16-,18+,20-,21+,33+,34-/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=CC=CC=N6
InChI: InChI=1S/C36H35N3O7S/c1-23-30(22-47-31-9-5-6-18-37-31)45-35(46-33(23)26-12-10-24(20-40)11-13-26)27-14-16-28(17-15-27)39-32(41)19-29(34(39)42)38-36(43)44-21-25-7-3-2-4-8-25/h2-18,23,29-30,33,35,40H,19-22H2,1H3,(H,38,43)/t23-,29?,30+,33+,35+/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2/C=N\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H17N3O3/c19-15(11-3-5-14(6-4-11)18(20)21)17-16-9-13-8-10-1-2-12(13)7-10/h3-6,9-10,12-13H,1-2,7-8H2,(H,17,19)/b16-9-/t10-,12-,13+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.C1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
InChI: InChI=1S/C9H11F2N3O4.C9H10F2N2O5/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1-2,4,6-7,14,16H,3H2,(H,12,15,17)/t2*4-,6-,7-/m11/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)OC(F)(F)F)O)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl
InChI: InChI=1S/C41H30Cl2F6N4O6/c1-2-19-3-9-23(10-4-19)52-35(55)26-13-12-25-27(32(26)37(52)57)17-29-36(56)53(51-34-30(43)15-21(18-50-34)40(44,45)46)38(58)39(29,20-5-7-22(42)8-6-20)33(25)28-16-24(11-14-31(28)54)59-41(47,48)49/h3-12,14-16,18,26-27,29,32-33,54H,2,13,17H2,1H3,(H,50,51)/t26-,27+,29-,32-,33+,39+/m0/s1
SMILES: COC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O[Si](C)(C)C)CO[Si](C)(C)C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C40H70N2O14Si6/c1-48-37(43)31-27(41-28(25-50-57(2,3)4)32(38(44)55-61(14,15)16)30(31)26-22-20-21-23-29(26)42(46)47)24-49-40-36(54-60(11,12)13)34(53-59(8,9)10)33(52-58(5,6)7)35(51-40)39(45)56-62(17,18)19/h20-23,33-36,40H,24-25H2,1-19H3/t33-,34-,35-,36+,40+/m0/s1
SMILES: CSC1=CC=CC(=C1)NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H23NO3S/c1-23-16-4-2-3-15(10-16)19-17(20)11-22-18(21)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9,11H2,1H3,(H,19,20)/t12-,13+,14+/m0/s1