EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCCCCC(=O)O
InChI: InChI=1S/C40H37Cl2F3N4O9/c1-57-28-14-19(15-29(58-2)33(28)52)32-23-11-12-24-31(37(55)48(35(24)53)13-5-3-4-6-30(50)51)25(23)17-26-36(54)49(38(56)39(26,32)20-7-9-22(41)10-8-20)47-34-27(42)16-21(18-46-34)40(43,44)45/h7-11,14-16,18,24-26,31-32,52H,3-6,12-13,17H2,1-2H3,(H,46,47)(H,50,51)/t24-,25+,26-,31-,32-,39+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)CC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H31NO5/c1-13-7-6-8-17(14(13)2)22-21(24)15(3)27-20(23)12-16-9-10-18(25-4)19(11-16)26-5/h9-11,13-15,17H,6-8,12H2,1-5H3,(H,22,24)/t13-,14-,15+,17+/m0/s1
SMILES: COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C19H26N4OS2/c1-24-16-10-8-15(9-11-16)20-18-21-23(19(25)26-18)13-22-12-4-6-14-5-2-3-7-17(14)22/h8-11,14,17H,2-7,12-13H2,1H3,(H,20,21)/p+1/t14-,17-/m0/s1
SMILES: C[C@@H](CSCCC(C(C)(C)O)(Cl)Cl)[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/C28H44Cl2O3S/c1-18(17-34-14-13-28(29,30)26(3,4)33)23-10-11-24-20(7-6-12-27(23,24)5)8-9-21-15-22(31)16-25(32)19(21)2/h8-9,18,22-25,31-33H,2,6-7,10-17H2,1,3-5H3/b20-8+,21-9-/t18-,22+,23+,24-,25-,27+/m0/s1
SMILES: CCOC1=C(C=C(C=C1Cl)/C=N\OCC(=O)N[C@@H]2CCCC[C@@H]2C)OC
InChI: InChI=1S/C19H27ClN2O4/c1-4-25-19-15(20)9-14(10-17(19)24-3)11-21-26-12-18(23)22-16-8-6-5-7-13(16)2/h9-11,13,16H,4-8,12H2,1-3H3,(H,22,23)/b21-11-/t13-,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)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C43H53N3O7/c1-29-40(27-46(3)26-39(50)37-11-8-12-38(49)24-37)52-43(53-42(29)34-16-14-31(28-47)15-17-34)35-20-18-33(19-21-35)36-10-7-9-32(23-36)25-45-41(51)13-5-4-6-22-44-30(2)48/h7-12,14-21,23-24,29,39-40,42-43,47,49-50H,4-6,13,22,25-28H2,1-3H3,(H,44,48)(H,45,51)/t29-,39+,40+,42+,43+/m0/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=C\Cl)CC[C@@H]4[C@@H]3C=CC(=O)N4
InChI: InChI=1S/C18H24ClNO/c1-18-9-8-12-13(15(18)5-2-11(18)10-19)3-6-16-14(12)4-7-17(21)20-16/h4,7,10,12-16H,2-3,5-6,8-9H2,1H3,(H,20,21)/b11-10+/t12-,13+,14+,15-,16+,18+/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@@H]5[C@H]4CC[C@H]6[C@]5(CC[C@@H](C6)O)C)C)C)NC1
InChI: InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23+,24+,25+,26-,27+/m0/s1
SMILES: CC(C)OP(=O)([C@@H]1[C@@H](SC2=NC=CN12)C(=O)C)OC(C)C
InChI: InChI=1S/C13H21N2O4PS/c1-8(2)18-20(17,19-9(3)4)12-11(10(5)16)21-13-14-6-7-15(12)13/h6-9,11-12H,1-5H3/t11-,12+/m0/s1
SMILES: CN1[C@@H]([C@@H]2CCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H17ClN2/c1-21-18(13-6-9-14(19)10-7-13)16-11-8-12-4-2-3-5-15(12)17(16)20-21/h2-7,9-10,16,18H,8,11H2,1H3/t16-,18-/m1/s1
SMILES: C1CC(=O)CCC1=C2C[C@@H]3[C@@H]4C[C@H]([C@@H]3C2)[C@H](C4)O
InChI: InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=C(C=C8)OC)O)C(=O)N(C7=O)CCC9=CC=C(C=C9)O)C
InChI: InChI=1S/C43H39ClN4O7S/c1-21-29-17-23(44)7-14-34(29)56-38(21)32-20-35(46(3)45-32)48-40(52)31-19-30-26(37(43(31,2)42(48)54)27-11-10-25(55-4)18-33(27)50)12-13-28-36(30)41(53)47(39(28)51)16-15-22-5-8-24(49)9-6-22/h5-12,14,17-18,20,28,30-31,36-37,49-50H,13,15-16,19H2,1-4H3/t28-,30+,31-,36-,37+,43+/m0/s1
SMILES: CS(=O)(=O)O[C@@H]1CC2=C3C(=CC(=C2[C@@H]1N=[N+]=[N-])OCCN(CCCl)CCCl)C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C24H24Cl2N4O6S/c1-37(33,34)36-19-12-16-20-17(23(31)14-4-2-3-5-15(14)24(20)32)13-18(21(16)22(19)28-29-27)35-11-10-30(8-6-25)9-7-26/h2-5,13,19,22H,6-12H2,1H3/t19-,22-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)C
InChI: InChI=1S/C45H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILES: CC(=O)OC[C@]12[C@H](CO[C@H]1N(C2=O)CC3=CC=CC=C3)OC(=O)C
InChI: InChI=1S/C17H19NO6/c1-11(19)23-10-17-14(24-12(2)20)9-22-16(17)18(15(17)21)8-13-6-4-3-5-7-13/h3-7,14,16H,8-10H2,1-2H3/t14-,16+,17+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)CN4C(=O)N5CCCCCC5=N4
InChI: InChI=1S/C30H36ClN3O3S/c1-30(2,3)37-28(35)27-22(19-34-29(36)33-18-6-4-5-7-26(33)32-34)12-17-25(27)38-24-15-10-21(11-16-24)20-8-13-23(31)14-9-20/h8-11,13-16,22,25,27H,4-7,12,17-19H2,1-3H3/t22-,25-,27-/m0/s1
SMILES: C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)C(CC(C)C)CC(=O)NO
InChI: InChI=1S/C35H58N10O12S/c1-18(2)12-20(13-26(47)45-57)33(54)42-22(14-29(50)51)34(55)40-19(3)32(53)39-15-27(48)38-16-28(49)41-21(31(36)52)8-6-7-11-37-25(46)10-5-4-9-24-30-23(17-58-24)43-35(56)44-30/h18-24,30,57H,4-17H2,1-3H3,(H2,36,52)(H,37,46)(H,38,48)(H,39,53)(H,40,55)(H,41,49)(H,42,54)(H,45,47)(H,50,51)(H2,43,44,56)/t19-,20?,21-,22-,23-,24-,30-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCN=[N+]=[N-])[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C12H16N8O4/c1-7-5-20(10-4-8(16-18-14)9(6-21)24-10)12(23)19(11(7)22)3-2-15-17-13/h5,8-10,21H,2-4,6H2,1H3/t8-,9+,10+/m0/s1
SMILES: C[C@@H]1CC(=O)C[C@@H]([C@@]1(C)[C@@H]2C[C@H]3CCO[C@H]3O2)CCCC=O
InChI: InChI=1S/C18H28O4/c1-12-9-15(20)11-14(5-3-4-7-19)18(12,2)16-10-13-6-8-21-17(13)22-16/h7,12-14,16-17H,3-6,8-11H2,1-2H3/t12-,13-,14+,16+,17+,18+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@]5([C@H]3C2=O)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C24H21N3O4/c1-13(28)14-8-10-15(11-9-14)27-21(29)19-18-7-4-12-26(18)24(20(19)22(27)30)16-5-2-3-6-17(16)25-23(24)31/h2-3,5-6,8-11,18-20H,4,7,12H2,1H3,(H,25,31)/p+1/t18-,19+,20-,24-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI: InChI=1S/C20H17ClF3NO3/c1-11-9-14(11)19(27)28-17(12-5-3-2-4-6-12)18(26)25-16-10-13(20(22,23)24)7-8-15(16)21/h2-8,10-11,14,17H,9H2,1H3,(H,25,26)/t11-,14+,17+/m1/s1
SMILES: CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC/C(=C\CC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)O)O)O)O)O)O)C
InChI: InChI=1S/C51H96O12/c1-38(2)19-12-24-46(5,56)26-14-28-48(7,58)30-16-32-50(9,60)34-18-35-51(10,61)33-17-31-49(8,59)29-15-27-47(6,57)25-13-22-39(3)20-11-21-40(4)23-36-62-45-44(55)43(54)42(53)41(37-52)63-45/h19-20,23,41-45,52-61H,11-18,21-22,24-37H2,1-10H3/b39-20-,40-23+/t41-,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1
SMILES: CCCC[C@@H]1[C@@](O1)([C@H](CC)O)S(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C16H24O4S/c1-4-6-7-15-16(20-15,14(17)5-2)21(18,19)13-10-8-12(3)9-11-13/h8-11,14-15,17H,4-7H2,1-3H3/t14-,15+,16+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3[C@H]([C@@H]4N2N=CC5=CC=CC=C45)C(=O)NC3=O
InChI: InChI=1S/C21H17N3O4/c1-28-13-8-6-11(7-9-13)19(25)18-16-15(20(26)23-21(16)27)17-14-5-3-2-4-12(14)10-22-24(17)18/h2-10,15-18H,1H3,(H,23,26,27)/t15-,16+,17-,18-/m1/s1
SMILES: CN(C)CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[C@H]3NC(=O)C4=CC=C(S4)Cl
InChI: InChI=1S/C24H28ClN5O2S/c1-29(2)15-22-26-13-14-30(22)17-9-7-16(8-10-17)27-23(31)18-5-3-4-6-19(18)28-24(32)20-11-12-21(25)33-20/h7-14,18-19H,3-6,15H2,1-2H3,(H,27,31)(H,28,32)/t18-,19+/m0/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@H]1Br)NC2(C(F)(F)F)C(F)(F)F)Cl
InChI: InChI=1S/C8H7BrClF6N/c9-3-1-2-4(10)5(3)17-6(2,7(11,12)13)8(14,15)16/h2-5,17H,1H2/t2-,3+,4+,5+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)OC
InChI: InChI=1S/C20H22O4/c1-20(14-13-17(21)22-2)23-18(15-9-5-3-6-10-15)19(24-20)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC2=CC=C(C=C2)C(=O)NC
InChI: InChI=1S/C19H29N3O2/c1-14-6-4-5-7-17(14)21-18(23)13-22(3)12-15-8-10-16(11-9-15)19(24)20-2/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,20,24)(H,21,23)/t14-,17-/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC(=C3C(=O)OC)C(=O)OC)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C25H44N2O9Si2/c1-14(2)37(15(3)4)33-12-18-21(35-38(36-37,16(5)6)17(7)8)22(30-9)23(34-18)27-13-26-19(24(28)31-10)20(27)25(29)32-11/h13-18,21-23H,12H2,1-11H3/t18-,21-,22-,23-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC2=CC=CC=C2[C@@H]1NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O[Si](C)(C)C(C)(C)C)OCC5=CC=CC=C5C(=O)N)O)O)OCC6=CC=CC=C6C(=O)N
InChI: InChI=1S/C52H70N4O10Si2/c1-51(2,3)67(7,8)65-39-27-31-19-11-15-23-35(31)41(39)55-49(61)45(63-29-33-21-13-17-25-37(33)47(53)59)43(57)44(58)46(64-30-34-22-14-18-26-38(34)48(54)60)50(62)56-42-36-24-16-12-20-32(36)28-40(42)66-68(9,10)52(4,5)6/h11-26,39-46,57-58H,27-30H2,1-10H3,(H2,53,59)(H2,54,60)(H,55,61)(H,56,62)/t39-,40-,41+,42+,43-,44-,45-,46-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)[C@H](CC=C)CC2=CC=CC=C2)OC(=O)[C@H](CC=C)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C38H42O9/c1-4-15-29(23-26-17-9-6-10-18-26)36(41)45-32-31(25-39)44-38(43-3)34(47-35(40)28-21-13-8-14-22-28)33(32)46-37(42)30(16-5-2)24-27-19-11-7-12-20-27/h4-14,17-22,29-34,38-39H,1-2,15-16,23-25H2,3H3/t29-,30-,31-,32-,33+,34-,38+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H]([C@@H]([C@H]([C@@H]2OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C30H28O9/c1-30(2)38-25-23(36-28(33)19-14-8-4-9-15-19)21(31)22(35-27(32)18-12-6-3-7-13-18)24(26(25)39-30)37-29(34)20-16-10-5-11-17-20/h3-17,21-26,31H,1-2H3/t21-,22-,23+,24+,25-,26+/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)C5CCCCC5)C(=O)N2)C
InChI: InChI=1S/C23H28N4O4/c1-11-8-9-14-19(12(11)2)25-22(31)23(14)18-17(15(26-23)10-16(24)28)20(29)27(21(18)30)13-6-4-3-5-7-13/h8-9,13,15,17-18,26H,3-7,10H2,1-2H3,(H2,24,28)(H,25,31)/p+1/t15-,17+,18-,23+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC#CC#CCO[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/C34H42O20/c1-17(35)45-15-25-27(47-19(3)37)29(49-21(5)39)31(51-23(7)41)33(53-25)43-13-11-9-10-12-14-44-34-32(52-24(8)42)30(50-22(6)40)28(48-20(4)38)26(54-34)16-46-18(2)36/h25-34H,13-16H2,1-8H3/t25-,26-,27-,28-,29+,30+,31+,32+,33+,34+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)OC)O)Cl)CBr)Cl
InChI: InChI=1S/C30H25BrCl2N2O7/c1-14(36)15-3-5-16(6-4-15)35-25(38)19-9-8-18-21(23(19)26(35)39)12-29(32)27(40)34(13-31)28(41)30(29,33)24(18)20-11-17(42-2)7-10-22(20)37/h3-8,10-11,19,21,23-24,37H,9,12-13H2,1-2H3/t19-,21+,23-,24+,29+,30-/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C22H19NO5/c1-11-9-17(11)22(27)28-12(2)21(26)23-13-7-8-16-18(10-13)20(25)15-6-4-3-5-14(15)19(16)24/h3-8,10-12,17H,9H2,1-2H3,(H,23,26)/t11-,12-,17+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@H](C[C@H]1O[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)COC(=O)C
InChI: InChI=1S/C27H39NO15/c1-12(29)28-23-19(10-36-13(2)30)8-20(38-15(4)32)9-21(23)42-27-26(41-18(7)35)25(40-17(6)34)24(39-16(5)33)22(43-27)11-37-14(3)31/h19-27H,8-11H2,1-7H3,(H,28,29)/t19-,20-,21-,22-,23-,24-,25+,26-,27-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C13H16N2O4S/c16-15(17)12-3-1-2-4-13(12)20(18,19)14-11-8-9-5-6-10(11)7-9/h1-4,9-11,14H,5-8H2/t9-,10-,11+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)NC4=NC=CS4
InChI: InChI=1S/C14H13N3O3S/c18-9(16-14-15-3-4-21-14)6-17-12(19)10-7-1-2-8(5-7)11(10)13(17)20/h1-4,7-8,10-11H,5-6H2,(H,15,16,18)/t7-,8+,10-,11+
SMILES: CC(C)C1=CC(=CS1)C(=O)NN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C16H20N2O3S/c1-9(2)13-7-10(8-22-13)14(19)17-18-15(20)11-5-3-4-6-12(11)16(18)21/h7-9,11-12H,3-6H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)C)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C40H44N4O5/c1-26-37(24-43-20-18-34(19-21-43)44-36-9-4-3-8-35(36)42-40(44)47)48-39(49-38(26)31-12-10-28(25-45)11-13-31)32-16-14-30(15-17-32)33-7-5-6-29(22-33)23-41-27(2)46/h3-17,22,26,34,37-39,45H,18-21,23-25H2,1-2H3,(H,41,46)(H,42,47)/t26-,37+,38+,39+/m0/s1
SMILES: C1CN(C[C@H]2[C@]1(CC3=NC4=CC=CC=C4C=C3C2)C5=CC(=CC=C5)O)CCC6=CC=CC=C6
InChI: InChI=1S/C30H30N2O/c33-27-11-6-10-25(19-27)30-14-16-32(15-13-22-7-2-1-3-8-22)21-26(30)18-24-17-23-9-4-5-12-28(23)31-29(24)20-30/h1-12,17,19,26,33H,13-16,18,20-21H2/t26-,30+/m0/s1
SMILES: CCOC1(O[C@H]2[C@@H](O1)[C@@H](O[C@H]([C@@H]2OC(=O)C)C)OCC=C)C
InChI: InChI=1S/C15H24O7/c1-6-8-17-14-13-12(21-15(5,22-13)18-7-2)11(9(3)19-14)20-10(4)16/h6,9,11-14H,1,7-8H2,2-5H3/t9-,11-,12+,13+,14+,15?/m0/s1
SMILES: C1CN(CC2=CC=CC=C21)C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C18H19NO3/c20-17(15-12-5-6-13(9-12)16(15)18(21)22)19-8-7-11-3-1-2-4-14(11)10-19/h1-6,12-13,15-16H,7-10H2,(H,21,22)/t12-,13+,15+,16+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl
InChI: InChI=1S/C21H24ClNO3S/c1-14-6-2-3-10-17(14)23-19(24)12-26-20(25)13-27-18-11-5-8-15-7-4-9-16(22)21(15)18/h4-5,7-9,11,14,17H,2-3,6,10,12-13H2,1H3,(H,23,24)/t14-,17-/m0/s1
SMILES: COC1=C(C=CC(=C1)CCCO)OC(CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)O)O)O)O
InChI: InChI=1S/C26H34O12/c1-34-20-11-15(3-2-10-27)4-9-19(20)37-18(12-28)13-36-26-24(32)23(31)22(30)21(38-26)14-35-25(33)16-5-7-17(29)8-6-16/h4-9,11,18,21-24,26-32H,2-3,10,12-14H2,1H3/t18?,21-,22-,23+,24-,26-/m1/s1
SMILES: CC1=CC=CC=[N+]1[C@@H]2[C@H]([C@@H](C(=N[C@@]2(C3CC3)O)C(=C=[N-])C#N)C#N)C4=CC=CC=C4
InChI: InChI=1S/C24H21N5O/c1-16-7-5-6-12-29(16)23-21(17-8-3-2-4-9-17)20(15-27)22(18(13-25)14-26)28-24(23,30)19-10-11-19/h2-9,12,19-21,23,30H,10-11H2,1H3/t20-,21-,23+,24-/m0/s1
SMILES: C1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)C(=O)N
InChI: InChI=1S/C9H8N2O4/c10-9(14)11-7(12)5-3-1-2-4(15-3)6(5)8(11)13/h1-6H,(H2,10,14)/t3-,4+,5-,6+
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC(N3C(=O)OC(C)(C)C)(C4=CN=CC=C4)O
InChI: InChI=1S/C23H32N2O4/c1-21(2,3)29-20(27)25-18-10-11-22(4)17(7-8-19(22)26)16(18)9-12-23(25,28)15-6-5-13-24-14-15/h5-6,13-14,16-18,28H,7-12H2,1-4H3/t16-,17-,18-,22-,23?/m0/s1
SMILES: C[C@H]1[C@@H](C(CCC1=O)(C)C)CC(C2(C=CC(=O)C(O2)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H42O5Si/c1-16-17(22(5,6)13-11-18(16)25)15-20(28-30(9,10)21(2,3)4)24(27)14-12-19(26)23(7,8)29-24/h12,14,16-17,20,27H,11,13,15H2,1-10H3/t16-,17-,20?,24?/m0/s1
SMILES: CC1=CC=CC=C1[C@@H]2C3=C(CNC3=O)N[C@@H]4CCCC[C@H]4N2C(=O)CCC5=NN=CC=C5
InChI: InChI=1S/C25H29N5O2/c1-16-7-2-3-9-18(16)24-23-20(15-26-25(23)32)28-19-10-4-5-11-21(19)30(24)22(31)13-12-17-8-6-14-27-29-17/h2-3,6-9,14,19,21,24,28H,4-5,10-13,15H2,1H3,(H,26,32)/t19-,21-,24-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O)O)N
InChI: InChI=1S/C12H24N2O8/c13-3-1-4(9(18)11(20)7(3)16)21-12-10(19)6(14)8(17)5(2-15)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12-/m0/s1
SMILES: C[C@]12CC[C@]3(C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1=CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
InChI: InChI=1S/C27H42O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-6-15-16-12-18(28)17-13-19(29)20(30)14-25(17,4)27(16,34)11-10-24(15,21)3/h6,12,17,19-22,29-34H,7-11,13-14H2,1-5H3/t17-,19+,20-,21-,22+,24-,25-,26+,27+/m0/s1
SMILES: CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C23H21NO4/c1-13-4-2-3-5-18(13)23(27)28-17-10-8-16(9-11-17)24-21(25)19-14-6-7-15(12-14)20(19)22(24)26/h2-5,8-11,14-15,19-20H,6-7,12H2,1H3/t14-,15+,19-,20+
SMILES: CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)OC(C)C)O)O
InChI: InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8+/t21-,22-,23+,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=C(OC(=C2)C)C
InChI: InChI=1S/C17H24N2O5/c1-10-6-4-5-7-14(10)18-17(22)19-15(20)9-23-16(21)13-8-11(2)24-12(13)3/h8,10,14H,4-7,9H2,1-3H3,(H2,18,19,20,22)/t10-,14-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NCCCCN6C=C(C7=CC=CC=C76)C[C@@]8(C(=O)OC9[C@@]8(OC[C@@H]9O)O)O)O
InChI: InChI=1S/C46H50N2O16/c1-21-37(51)27(47-13-6-7-14-48-19-23(24-9-4-5-11-28(24)48)16-45(58)43(56)64-42-29(50)20-61-46(42,45)59)15-32(62-21)63-31-18-44(57,22(2)49)17-26-34(31)41(55)36-35(39(26)53)38(52)25-10-8-12-30(60-3)33(25)40(36)54/h4-5,8-12,19,21,27,29,31-32,37,42,47,50-51,53,55,57-59H,6-7,13-18,20H2,1-3H3/t21-,27-,29-,31-,32?,37+,42?,44-,45-,46-/m0/s1
SMILES: CC(C)[C@@H](/C(=C/[C@@H](CC=C)C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)/F)NC(=O)OC(C)(C)C
InChI: InChI=1S/C26H41FN2O5S/c1-9-10-17(13-19(27)21(16(2)3)28-23(31)34-24(4,5)6)22(30)29-20-14-18-11-12-26(20,25(18,7)8)15-35(29,32)33/h9,13,16-18,20-21H,1,10-12,14-15H2,2-8H3,(H,28,31)/b19-13-/t17-,18-,20-,21+,26-/m1/s1
SMILES: C[C@]12[C@@H](C[C@@H]3[C@]1(O3)CCCC2=O)C4=CC=CC=C4
InChI: InChI=1S/C16H18O2/c1-15-12(11-6-3-2-4-7-11)10-14-16(15,18-14)9-5-8-13(15)17/h2-4,6-7,12,14H,5,8-10H2,1H3/t12-,14+,15+,16+/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](N(C(=O)N[C@H]2N(C(=O)N1)C)C)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C18H26N4O5/c1-9-13-14(10-7-11(25-4)15(27-6)12(8-10)26-5)21(2)18(24)20-16(13)22(3)17(23)19-9/h7-9,13-14,16H,1-6H3,(H,19,23)(H,20,24)/t9-,13-,14+,16-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24-,25+,26+,27-/m1/s1
SMILES: C1=N[C@H](C2=C(N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO
InChI: InChI=1S/C11H16N4O5/c16-1-5-7-10(13-3-12-5)15(4-14-7)11-9(19)8(18)6(2-17)20-11/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6+,8+,9+,11?/m0/s1
SMILES: CNC(=O)OC1=CC2=C(C=C1)[C@@H]3[C@@H](CC[N+]3(C)C)CO2.[I-]
InChI: InChI=1S/C15H20N2O3.HI/c1-16-15(18)20-11-4-5-12-13(8-11)19-9-10-6-7-17(2,3)14(10)12;/h4-5,8,10,14H,6-7,9H2,1-3H3;1H/t10-,14-;/m0./s1
SMILES: CCSC1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C30H53NO10S/c1-12-42-28-30(8,37)24(35)17(4)21(32)15(2)14-29(7,38-11)25(18(5)22(33)19(6)26(36)41-28)40-27-23(34)20(31(9)10)13-16(3)39-27/h15-20,23-25,27-28,34-35,37H,12-14H2,1-11H3/t15-,16-,17+,18+,19-,20+,23-,24-,25-,27?,28?,29+,30+/m1/s1
SMILES: CC(=O)O[C@@H]1C(=C)[C@@H]2CC[C@@H]3[C@]1(C2)CC[C@H]4[C@@]35CCC[C@]4(CN6C5OCC6)C
InChI: InChI=1S/C24H35NO3/c1-15-17-5-6-19-23(13-17,20(15)28-16(2)26)10-7-18-22(3)8-4-9-24(18,19)21-25(14-22)11-12-27-21/h17-21H,1,4-14H2,2-3H3/t17-,18-,19-,20-,21?,22+,23-,24+/m1/s1
SMILES: CC[C@H]([C@H]([C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)C(C)C
InChI: InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,28+,29+/m0/s1
SMILES: C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C1C2[C@H]([C@@H](C(C1)CC2)C[S-])C[S-].C1C2[C@H]([C@@H](C(C1)CC2)C[S-])C[S-].[Rh].[Rh].[Rh].[Rh]
InChI: InChI=1S/2C10H18S2.4C8H12.4Rh/c2*11-5-9-7-1-2-8(4-3-7)10(9)6-12;4*1-2-4-6-8-7-5-3-1;;;;/h2*7-12H,1-6H2;4*1-2,7-8H,3-6H2;;;;/p-4/b;;4*2-1-,8-7-;;;;/t2*7?,8?,9-,10-;;;;;;;;/m11......../s1
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O
InChI: InChI=1S/C20H22O8/c21-13-7-12(8-14(22)9-13)2-1-11-3-5-15(6-4-11)27-10-16-17(23)18(24)19(25)20(26)28-16/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H29N3O4/c1-2-30-20-10-6-5-9-19(20)24-13-15-25(16-14-24)21(27)11-12-26-22(28)17-7-3-4-8-18(17)23(26)29/h3-6,9-10,17-18H,2,7-8,11-16H2,1H3/t17-,18+
SMILES: COC(=O)N[C@@]12[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC2=O)OCC3=CC=CC=C3)O
InChI: InChI=1S/C16H19NO8/c1-22-15(21)17-16-13(19)12(23-8-9-5-3-2-4-6-9)11(24-14(16)20)10(7-18)25-16/h2-6,10-13,18-19H,7-8H2,1H3,(H,17,21)/t10-,11-,12+,13-,16+/m1/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)OC)Cl
InChI: InChI=1S/C24H23ClN4O5/c1-11-15(25)8-7-14-20(11)27-23(33)24(14)19-18(16(28-24)9-17(26)30)21(31)29(22(19)32)10-12-3-5-13(34-2)6-4-12/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t16-,18-,19+,24+/m1/s1
SMILES: [2H][C@]1([C@H](O[C@@H]([C@@H]([C@H]1O)O)OC)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13+/m1/s1/i11D
SMILES: C1=C[C@H]([C@@H]([C@H]([C@@H]1NCC2=CC=C(C=C2)O)O)O)O
InChI: InChI=1S/C13H17NO4/c15-9-3-1-8(2-4-9)7-14-10-5-6-11(16)13(18)12(10)17/h1-6,10-18H,7H2/t10-,11-,12+,13+/m1/s1
SMILES: C[C@@H]1CC[C@H](N([C@H]1C(=O)OC)C(=O)OC)CCO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H35NO5Si/c1-13-9-10-14(11-12-24-25(7,8)18(2,3)4)19(17(21)23-6)15(13)16(20)22-5/h13-15H,9-12H2,1-8H3/t13-,14+,15-/m1/s1
SMILES: CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C23H21NO4/c1-11(2)20(23(27)28)24-21(25)18-16-12-7-3-4-8-13(12)17(19(18)22(24)26)15-10-6-5-9-14(15)16/h3-11,16-20H,1-2H3,(H,27,28)/t16?,17?,18-,19-,20-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCCCC(=O)NC2=CC=CC=C2N)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCCO
InChI: InChI=1S/C33H43N5O6/c1-4-43-33-24(15-12-20-39)25(30-22(2)37(3)38(32(30)42)23-13-6-5-7-14-23)21-28(44-33)31(41)35-19-11-10-18-29(40)36-27-17-9-8-16-26(27)34/h5-9,13-14,16-17,21,24-25,33,39H,4,10-12,15,18-20,34H2,1-3H3,(H,35,41)(H,36,40)/t24-,25+,33-/m0/s1
SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H22O11/c1-30-15-4-9(14-7-12(26)18-11(25)5-10(24)6-16(18)31-14)2-3-13(15)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES: CC(C)C(=O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OC(=O)C(C)C)OC(=O)C(C)C)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C18H33O18P3/c1-7(2)16(19)31-10-11(32-17(20)8(3)4)13(34-37(22,23)24)15(36-39(28,29)30)14(35-38(25,26)27)12(10)33-18(21)9(5)6/h7-15H,1-6H3,(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t10?,11-,12+,13-,14-,15?/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)COP(=O)(CP(=O)(O)OCCC5=CC=C(C=C5)[N+](=O)[O-])O)C
InChI: InChI=1S/C22H28N6O11P2/c1-22(2)38-17-15(37-21(18(17)39-22)27-11-26-16-19(23)24-10-25-20(16)27)9-36-41(33,34)12-40(31,32)35-8-7-13-3-5-14(6-4-13)28(29)30/h3-6,10-11,15,17-18,21H,7-9,12H2,1-2H3,(H,31,32)(H,33,34)(H2,23,24,25)/t15-,17-,18-,21-/m1/s1
SMILES: CCCCCCCC(=O)O[C@H]1C[C@]2(CC[C@](O2)(C)[C@H]3CC[C@@](O3)(CC)[C@H]4[C@H](C[C@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C)O[C@@H]([C@@H]1C)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC
InChI: InChI=1S/C44H76O12/c1-11-13-14-15-16-17-35(46)51-33-24-43(54-38(29(33)6)30(7)37(50-10)31(8)40(47)48)21-20-41(9,56-43)34-18-19-42(12-2,53-34)39-27(4)23-32(52-39)36-26(3)22-28(5)44(49,25-45)55-36/h26-34,36-39,45,49H,11-25H2,1-10H3,(H,47,48)/t26-,27-,28+,29+,30-,31-,32-,33-,34+,36-,37+,38-,39+,41+,42-,43+,44-/m0/s1
SMILES: C[C@@H](CCCC(C)(C)OCOC)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C35H60O3Si/c1-26-16-19-30(38-39(10,11)33(3,4)5)24-29(26)18-17-28-15-13-23-35(8)31(20-21-32(28)35)27(2)14-12-22-34(6,7)37-25-36-9/h17-18,20,27,30,32H,1,12-16,19,21-25H2,2-11H3/b28-17+,29-18-/t27-,30-,32-,35+/m0/s1
SMILES: CC#CC#CC=C1[C@@H]2[C@@H](O2)[C@]3(O1)CCC(CO3)OC(=O)CC(C)C
InChI: InChI=1S/C19H22O5/c1-4-5-6-7-8-15-17-18(23-17)19(24-15)10-9-14(12-21-19)22-16(20)11-13(2)3/h8,13-14,17-18H,9-12H2,1-3H3/t14?,17-,18-,19-/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)C4=CC=CC(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CSC7=CC=CC=N7
InChI: InChI=1S/C39H34N2O5S/c1-25-34(24-47-35-14-4-5-19-40-35)45-39(46-36(25)28-17-15-26(23-42)16-18-28)31-11-7-10-30(21-31)29-9-6-8-27(20-29)22-41-37(43)32-12-2-3-13-33(32)38(41)44/h2-21,25,34,36,39,42H,22-24H2,1H3/t25-,34+,36+,39+/m1/s1