EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@H]1C=CCC[C@]2(O1)C[C@@H]3CC[C@@H]4[N+]3=C(N2)N[C@@]5([C@H]4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCC[NH3+])C[C@H](CC[NH3+])O)CCC[C@H](O5)C
InChI: InChI=1S/C45H80N6O6/c1-3-38-22-16-17-27-44(57-38)33-36-24-25-39-41(45(28-19-21-35(2)56-45)49-43(48-44)51(36)39)42(54)55-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-40(53)50(31-20-29-46)34-37(52)26-30-47/h16,22,35-39,41,52H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49)/p+3/t35-,36+,37+,38+,39+,41-,44+,45+/m1/s1
SMILES: CC1(CCC[C@]23[C@@H]1C[C@@H]4C56[C@H]2[C@@H](C[C@H]([C@H]5OC(O4)(C)C)C(=C)C6=O)OC3)C
InChI: InChI=1S/C23H32O4/c1-12-13-9-14-17-22(11-25-14)8-6-7-20(2,3)15(22)10-16-23(17,18(12)24)19(13)27-21(4,5)26-16/h13-17,19H,1,6-11H2,2-5H3/t13-,14+,15+,16+,17-,19+,22-,23?/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SP2(=O)OCC(CO2)(C)C
InChI: InChI=1S/C16H25O10PS/c1-9(17)24-12-6-21-15(14(26-11(3)19)13(12)25-10(2)18)28-27(20)22-7-16(4,5)8-23-27/h12-15H,6-8H2,1-5H3/t12-,13+,14-,15+/m1/s1
SMILES: COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)C6=C(C5)C7=CC=CC=C7N6)C=C1
InChI: InChI=1S/C23H22N2O2/c1-26-18-7-6-12-10-17-15-11-14-13-4-2-3-5-16(13)25-20(14)22-23(15,8-9-24-17)19(12)21(18)27-22/h2-7,15,17,22,24-25H,8-11H2,1H3/t15-,17+,22-,23-/m0/s1
SMILES: C[C@@]1([C@@H]2CCO[C@@H]2C3=C(N1)C=CC(=C3)I)C4=CC=C(C=C4)C#N
InChI: InChI=1S/C19H17IN2O/c1-19(13-4-2-12(11-21)3-5-13)16-8-9-23-18(16)15-10-14(20)6-7-17(15)22-19/h2-7,10,16,18,22H,8-9H2,1H3/t16-,18-,19+/m1/s1
SMILES: CCCC(=O)OCC(=O)S[C@@H]1[C@H](C(=O)N1)[C@@H](C)OC2CCCCO2
InChI: InChI=1S/C16H25NO6S/c1-3-6-11(18)22-9-12(19)24-16-14(15(20)17-16)10(2)23-13-7-4-5-8-21-13/h10,13-14,16H,3-9H2,1-2H3,(H,17,20)/t10-,13?,14+,16-/m1/s1
SMILES: CC(C)C1=C(C2=C(C(=C1)C=O)[C@]3(CC[C@@H](C([C@@H]3[C@@H](O2)O)(C)C)O)C)O
InChI: InChI=1S/C20H28O5/c1-10(2)12-8-11(9-21)14-16(15(12)23)25-18(24)17-19(3,4)13(22)6-7-20(14,17)5/h8-10,13,17-18,22-24H,6-7H2,1-5H3/t13-,17-,18+,20+/m0/s1
SMILES: CCOC(=O)CCN1C(=O)[C@@H]2CC[C@@H]3[C@@H]([C@@H]2C1=O)[C@@H]([C@@H](CC3=NOCC4=CC=CC=C4)O)O
InChI: InChI=1S/C24H30N2O7/c1-2-32-19(28)10-11-26-23(30)16-9-8-15-17(25-33-13-14-6-4-3-5-7-14)12-18(27)22(29)20(15)21(16)24(26)31/h3-7,15-16,18,20-22,27,29H,2,8-13H2,1H3/t15-,16+,18+,20-,21+,22+/m0/s1
SMILES: C1[C@H]([C@H](C(=O)N1)C(=O)N/N=C\C2=CC=C(S2)Cl)C3=CC=CC=C3
InChI: InChI=1S/C16H14ClN3O2S/c17-13-7-6-11(23-13)8-19-20-16(22)14-12(9-18-15(14)21)10-4-2-1-3-5-10/h1-8,12,14H,9H2,(H,18,21)(H,20,22)/b19-8-/t12-,14+/m0/s1
SMILES: CCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
InChI: InChI=1S/C28H42O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h15,20-22,25,30,33H,4-14,16-17H2,1-3H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
SMILES: C[C@]1([C@H](C[C@@H]2[C@@](O1)([C@H](C[C@@H](O2)CCCOCC3=CC=CC=C3)OCC4=CC=CC=C4)C)O[Si](C)(C)C(C)(C)C)CCO
InChI: InChI=1S/C35H54O6Si/c1-33(2,3)42(6,7)40-30-24-32-35(5,41-34(30,4)20-21-36)31(38-26-28-17-12-9-13-18-28)23-29(39-32)19-14-22-37-25-27-15-10-8-11-16-27/h8-13,15-18,29-32,36H,14,19-26H2,1-7H3/t29-,30-,31-,32+,34+,35-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=NC(=N3)Cl)Cl)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C38H36Cl2N2O6/c39-32-21-33(42-38(40)41-32)48-37-36(46-25-30-19-11-4-12-20-30)35(45-24-29-17-9-3-10-18-29)34(44-23-28-15-7-2-8-16-28)31(47-37)26-43-22-27-13-5-1-6-14-27/h1-21,31,34-37H,22-26H2/t31-,34-,35+,36-,37+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)CC[C@@]45[C@@]3(C4(Cl)Cl)CCC(=O)C5
InChI: InChI=1S/C25H40Cl2O2Si/c1-21(2,3)30(5,6)29-20-8-7-18-17-10-13-23-15-16(28)9-14-24(23,25(23,26)27)19(17)11-12-22(18,20)4/h17-20H,7-15H2,1-6H3/t17-,18-,19-,20-,22-,23+,24+/m0/s1
SMILES: CCCCOC1=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/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3/t24?,25-,26-,29?/m1/s1
SMILES: C[C@H]1[C@@H](C(=C2N([C@@H]1C3=CC=C(C=C3)OC)C4=CC=CC=C4S2)C#N)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C26H21N3O3S/c1-16-24(17-7-11-19(12-8-17)29(30)31)21(15-27)26-28(22-5-3-4-6-23(22)33-26)25(16)18-9-13-20(32-2)14-10-18/h3-14,16,24-25H,1-2H3/t16-,24+,25-/m0/s1
SMILES: C[C@@H]([C@H]1[C@H]2N(C1=O)C(=C(S2)COC(=O)C3=CN(C4=C(C(=C(C=C4C3=O)F)N5CCN(CC5)C)F)CCF)C(=O)O)O
InChI: InChI=1S/C26H27F3N4O7S/c1-12(34)17-23(36)33-21(25(37)38)16(41-24(17)33)11-40-26(39)14-10-32(4-3-27)19-13(22(14)35)9-15(28)20(18(19)29)31-7-5-30(2)6-8-31/h9-10,12,17,24,34H,3-8,11H2,1-2H3,(H,37,38)/t12-,17+,24-/m0/s1
SMILES: CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C19H22N4O4/c1-11(24)21-15-9-26-18-16(10-27-17(15)18)23-19-20-8-7-14(22-19)12-3-5-13(25-2)6-4-12/h3-8,15-18H,9-10H2,1-2H3,(H,21,24)(H,20,22,23)/t15-,16-,17+,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC(=C3)C
InChI: InChI=1S/C24H29NO4/c1-17-8-7-10-19(14-17)15-28-22-13-6-4-11-20(22)24(27)29-16-23(26)25-21-12-5-3-9-18(21)2/h4,6-8,10-11,13-14,18,21H,3,5,9,12,15-16H2,1-2H3,(H,25,26)/t18-,21-/m1/s1
SMILES: CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC(=O)[C@@H](C4(C)C)O)C)C)C)O)O
InChI: InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19,21-22,25-26,35,38-39H,11-16H2,1-9H3/t19-,21-,22+,25+,26+,29+,30-,31+,32+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)OC(F)(F)F)O)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8
InChI: InChI=1S/C40H25Cl2F4N3O7/c41-38-18-27-24(14-15-25-31(27)35(52)48(34(25)51)21-9-5-19(6-10-21)33-47-28-3-1-2-4-30(28)55-33)32(26-17-23(13-16-29(26)50)56-40(44,45)46)39(38,42)37(54)49(36(38)53)22-11-7-20(43)8-12-22/h1-14,16-17,25,27,31-32,50H,15,18H2/t25-,27+,31-,32+,38+,39-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C20H26N4O3S/c1-12-6-5-9-16(13(12)2)21-20(28)23-22-17(25)10-11-24-18(26)14-7-3-4-8-15(14)19(24)27/h3-4,7-8,12-13,16H,5-6,9-11H2,1-2H3,(H,22,25)(H2,21,23,28)/t12-,13-,16+/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@H](CN1C)C)N[C@@H](C)C2=CC=CC=C2
InChI: InChI=1S/C16H26N2/c1-12-11-18(4)13(2)10-16(12)17-14(3)15-8-6-5-7-9-15/h5-9,12-14,16-17H,10-11H2,1-4H3/t12-,13-,14+,16-/m1/s1
SMILES: C1CCC(C1)O/N=C(/C2=NSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C[N+]5=C6C=CC=NN6C(=C5)N)C(=O)O
InChI: InChI=1S/C23H24N10O5S2/c24-13-9-31(14-6-3-7-26-33(13)14)8-11-10-39-21-16(20(35)32(21)17(11)22(36)37)27-19(34)15(18-28-23(25)40-30-18)29-38-12-4-1-2-5-12/h3,6-7,9,12,16,21H,1-2,4-5,8,10H2,(H5-,24,25,26,27,28,30,34,36,37)/p+1/b29-15-/t16-,21-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)F)C(=O)O)O
InChI: InChI=1S/C11H16FNO7/c1-4(15)13-9-5(16)2-7(11(18)19)20-10(9)8(12)6(17)3-14/h2,5-6,8-10,14,16-17H,3H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10-/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@H]([NH2+]3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5Cl)Cl
InChI: InChI=1S/C23H20Cl2N4O4/c1-10-13(24)7-6-12-19(10)27-22(33)23(12)18-17(15(28-23)8-16(26)30)20(31)29(21(18)32)9-11-4-2-3-5-14(11)25/h2-7,15,17-18,28H,8-9H2,1H3,(H2,26,30)(H,27,33)/p+1/t15-,17-,18+,23-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H]([C@H](C1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H61NO6Si3/c1-25(2,3)33-24(31)29-20(19-32-36(13,14)26(4,5)6)21(34-37(15,16)27(7,8)9)22(23(29)30)35-38(17,18)28(10,11)12/h20-23,30H,19H2,1-18H3/t20-,21-,22-,23?/m1/s1
SMILES: CCC1CCC(N1C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C)CC
InChI: InChI=1S/C17H27N3O5/c1-4-10-6-7-11(5-2)20(10)16(22)15-14(19-9(3)21)12(18)8-13(25-15)17(23)24/h8,10-12,14-15H,4-7,18H2,1-3H3,(H,19,21)(H,23,24)/t10?,11?,12-,14+,15+/m0/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C[C@H]3CCCO3)C(=O)CCC=C)C(=O)NCCO
InChI: InChI=1S/C27H37IN2O8/c1-3-4-7-24(33)30(15-19-6-5-10-37-19)21-13-18(27(35)29-8-9-31)14-22(25(21)34)38-26-20(28)11-17(16-32)12-23(26)36-2/h3,11-12,14,19,21-22,25,31-32,34H,1,4-10,13,15-16H2,2H3,(H,29,35)/t19-,21-,22+,25+/m1/s1
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC[C@@H]4[C@H]3CCCC4)C
InChI: InChI=1S/C23H35N3O3S/c1-18-9-10-22(19(2)16-18)30(28,29)25-14-12-24(13-15-25)17-23(27)26-11-5-7-20-6-3-4-8-21(20)26/h9-10,16,20-21H,3-8,11-15,17H2,1-2H3/t20-,21-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N(CC2=CC=CC=C2O)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H25FN2OS/c1-15-6-2-4-8-19(15)23-21(26)24(18-12-10-17(22)11-13-18)14-16-7-3-5-9-20(16)25/h3,5,7,9-13,15,19,25H,2,4,6,8,14H2,1H3,(H,23,26)/t15-,19+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+]2=CSC(=C2C)C)C(C)C
InChI: InChI=1S/C17H28NO2S/c1-11(2)15-7-6-12(3)8-16(15)20-17(19)9-18-10-21-14(5)13(18)4/h10-12,15-16H,6-9H2,1-5H3/q+1/t12-,15+,16-/m1/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC=C4C[C@H](CC[C@@]4([C@@H]3CC2)C)O
InChI: InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CN(CC1=CC(=C(C=C1)OC)OC)[C@@H]2CCCC[C@H]2NCC3=CC(=C(C=C3)OC)OC)/C)/C)/C)/C)/C)/C)/C)/C)C.Cl.Cl
InChI: InChI=1S/C69H106N2O4.2ClH/c1-53(2)25-17-26-54(3)27-18-28-55(4)29-19-30-56(5)31-20-32-57(6)33-21-34-58(7)35-22-36-59(8)37-23-38-60(9)39-24-40-61(10)47-48-71(52-63-44-46-67(73-12)69(50-63)75-14)65-42-16-15-41-64(65)70-51-62-43-45-66(72-11)68(49-62)74-13;;/h25,27,29,31,33,35,37,39,43-47,49-50,64-65,70H,15-24,26,28,30,32,34,36,38,40-42,48,51-52H2,1-14H3;2*1H/b54-27+,55-29+,56-31+,57-33+,58-35+,59-37+,60-39+,61-47+;;/t64-,65-;;/m1../s1
SMILES: CC[Si](CC)(CC)O[C@](COC(=O)C(C)(C)C)(C#CC1=C[C@H]([C@@H]([C@]1(CC#C)O)OCC2=CC=C(C=C2)OC)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)[C@H]5COC6(O5)CCCC6
InChI: InChI=1S/C54H72O9Si2/c1-12-33-54(56)42(32-36-52(40-59-49(55)50(5,6)7,63-64(13-2,14-3)15-4)47-39-60-53(61-47)34-22-23-35-53)37-46(48(54)58-38-41-28-30-43(57-11)31-29-41)62-65(51(8,9)10,44-24-18-16-19-25-44)45-26-20-17-21-27-45/h1,16-21,24-31,37,46-48,56H,13-15,22-23,33-35,38-40H2,2-11H3/t46-,47-,48+,52+,54-/m1/s1
SMILES: C[C@@H]1C[C@H](C2=C(CCC[C@@H]2[C@@]13C[C@H](OC3=O)C4=CC=CO4)CO)O
InChI: InChI=1S/C19H24O5/c1-11-8-14(21)17-12(10-20)4-2-5-13(17)19(11)9-16(24-18(19)22)15-6-3-7-23-15/h3,6-7,11,13-14,16,20-21H,2,4-5,8-10H2,1H3/t11-,13+,14-,16+,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=C(C=CS3)C#N
InChI: InChI=1S/C18H20N4O5S/c1-11-4-2-3-6-18(11)16(25)22(17(26)21-18)9-14(24)27-10-13(23)20-15-12(8-19)5-7-28-15/h5,7,11H,2-4,6,9-10H2,1H3,(H,20,23)(H,21,26)/t11-,18+/m1/s1
SMILES: CC(C)S[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)O
InChI: InChI=1S/C31H32O7S/c1-18(2)39-30-26(32)28(27-25(36-30)17-34-29(37-27)19-10-4-3-5-11-19)38-31(33)35-16-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h3-15,18,24-30,32H,16-17H2,1-2H3/t25-,26-,27+,28-,29-,30+/m1/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H]([C@H]3CCN(C4=C3C=C(C=C4)OC)/C=C/C=C/C=[N+]5CC[C@@H](C6=C5C=CC(=C6)OC)[C@H]([C@@H]7C[C@@H]8CCN7C[C@@H]8CC)O)O
InChI: InChI=1S/C45H63N4O4/c1-5-30-28-48-20-14-32(30)24-42(48)44(50)36-16-22-46(40-12-10-34(52-3)26-38(36)40)18-8-7-9-19-47-23-17-37(39-27-35(53-4)11-13-41(39)47)45(51)43-25-33-15-21-49(43)29-31(33)6-2/h7-13,18-19,26-27,30-33,36-37,42-45,50-51H,5-6,14-17,20-25,28-29H2,1-4H3/q+1/t30-,31-,32-,33-,36-,37-,42-,43-,44+,45+/m0/s1
SMILES: CC1(O[C@@H]2C[C@]3(C[C@H]([C@@H]2O1)O)C(=O)OC(O3)(C)C)C
InChI: InChI=1S/C13H20O6/c1-11(2)16-8-6-13(5-7(14)9(8)17-11)10(15)18-12(3,4)19-13/h7-9,14H,5-6H2,1-4H3/t7-,8-,9+,13-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC(=CC=C3)Cl
InChI: InChI=1S/C17H19ClN2O3/c18-11-4-3-5-12(10-11)19-15(21)8-9-20-16(22)13-6-1-2-7-14(13)17(20)23/h3-5,10,13-14H,1-2,6-9H2,(H,19,21)/t13-,14-/m0/s1
SMILES: C[C@H](/C=C/CC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C
InChI: InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h7,9,18-25H,8,10-17H2,1-6H3/b9-7+/t19-,20+,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
SMILES: C1[C@@H]2[C@@](N3[C@H](S2)[C@@H](C3=O)NC(=O)COC4=CC=CC=C4)(OC1=O)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C29H24N2O7S/c32-22(17-36-20-14-8-3-9-15-20)30-24-26(34)31-27(24)39-21-16-23(33)38-29(21,31)28(35)37-25(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21,24-25,27H,16-17H2,(H,30,32)/t21-,24-,27-,29-/m1/s1
SMILES: CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)[C@@H]4CC[C@H]4C(=O)[O-]
InChI: InChI=1S/C20H23N3O3/c1-13-12-18(16-4-2-3-5-17(16)21-13)22-8-10-23(11-9-22)19(24)14-6-7-15(14)20(25)26/h2-5,12,14-15H,6-11H2,1H3,(H,25,26)/t14-,15-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2[C@H]3CCCC[C@]3(NC1=O)OC4=CC=CC=C24
InChI: InChI=1S/C18H21NO4/c1-2-22-17(21)15-14-11-7-3-4-9-13(11)23-18(19-16(15)20)10-6-5-8-12(14)18/h3-4,7,9,12,14-15H,2,5-6,8,10H2,1H3,(H,19,20)/t12-,14-,15+,18+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)I
InChI: InChI=1S/C9H11IN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])OC
InChI: InChI=1S/C17H21NO5/c1-22-11-5-6-12(13(8-11)23-2)18-16(19)14-9-3-4-10(7-9)15(14)17(20)21/h5-6,8-10,14-15H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/p-1/t9-,10+,14-,15+/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C(=C)NOC(=O)C)C)C
InChI: InChI=1S/C25H35NO4/c1-15(26-30-17(3)28)21-8-9-22-20-7-6-18-14-19(29-16(2)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h6,8,19-20,22-23,26H,1,7,9-14H2,2-5H3/t19-,20+,22+,23+,24+,25-/m1/s1
SMILES: COC(=O)CNC1=NN(C(=S)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
InChI: InChI=1S/C11H16N4O7S/c1-21-5(17)2-12-8-9(20)13-11(23)15(14-8)10-7(19)6(18)4(3-16)22-10/h4,6-7,10,16,18-19H,2-3H2,1H3,(H,12,14)(H,13,20,23)/t4-,6+,7-,10+/m0/s1
SMILES: COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2CCCC3=CC=C(C=C3)I)C[C@@H]1OC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C31H32F2INO3/c1-37-31(36)29-27-17-16-26(35(27)18-2-3-20-4-14-25(34)15-5-20)19-28(29)38-30(21-6-10-23(32)11-7-21)22-8-12-24(33)13-9-22/h4-15,26-30H,2-3,16-19H2,1H3/t26-,27+,28+,29-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)O
InChI: InChI=1S/C28H36O10/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32)/b6-5+/t19-,20+,21-,27+,28+/m1/s1
SMILES: C1=CC(=CC=C1CSC2=NC3=CC(=C(C=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl)Cl)F
InChI: InChI=1S/C19H17Cl2FN2O4S/c20-11-5-13-14(6-12(11)21)24(18-17(27)16(26)15(7-25)28-18)19(23-13)29-8-9-1-3-10(22)4-2-9/h1-6,15-18,25-27H,7-8H2/t15-,16-,17-,18-/m1/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)NCC3=CC=C(C=C3)F)C(=O)NCCO
InChI: InChI=1S/C24H28FIN2O6/c1-33-21-9-15(13-30)8-18(26)23(21)34-20-11-16(24(32)27-6-7-29)10-19(22(20)31)28-12-14-2-4-17(25)5-3-14/h2-5,8-9,11,19-20,22,28-31H,6-7,10,12-13H2,1H3,(H,27,32)/t19-,20+,22+/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI: InChI=1S/C21H16N2O3/c1-12-10-17(12)18-9-8-14(26-18)11-22-23-20(24)15-6-2-4-13-5-3-7-16(19(13)15)21(23)25/h2-9,11-12,17H,10H2,1H3/b22-11-/t12-,17-/m0/s1
SMILES: C1CC=C2[C@@H](C1)[C@H](C(=O)N2CC3=CC4=C(C=C3Br)OCO4)O
InChI: InChI=1S/C16H16BrNO4/c17-11-6-14-13(21-8-22-14)5-9(11)7-18-12-4-2-1-3-10(12)15(19)16(18)20/h4-6,10,15,19H,1-3,7-8H2/t10-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)C[C@]23CCC(=O)C=C2CC[C@@H]4C3=C(C[C@]5([C@H]4CCC5)C)O
InChI: InChI=1S/C26H32O2/c1-17-5-7-18(8-6-17)15-26-13-11-20(27)14-19(26)9-10-21-22-4-3-12-25(22,2)16-23(28)24(21)26/h5-8,14,21-22,28H,3-4,9-13,15-16H2,1-2H3/t21-,22-,25-,26+/m0/s1
SMILES: CCOC(=O)[C@@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3F)C(=O)N(C2=O)C)C
InChI: InChI=1S/C17H19FN2O4/c1-4-24-16(23)17(2)12-11(14(21)20(3)15(12)22)13(19-17)9-7-5-6-8-10(9)18/h5-8,11-13,19H,4H2,1-3H3/p+1/t11-,12-,13-,17-/m0/s1
SMILES: CCN1CCN(CC1)C[C@@H]2[C@H]3C[C@@H]4[C@](CCC[C@]45CO5)(C[C@H]3OC2=O)C
InChI: InChI=1S/C21H34N2O3/c1-3-22-7-9-23(10-8-22)13-16-15-11-18-20(2,12-17(15)26-19(16)24)5-4-6-21(18)14-25-21/h15-18H,3-14H2,1-2H3/t15-,16-,17-,18-,20-,21+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]([C@@]4(CC=C3[C@H]1O2)C=C)O5)OC(=O)C
InChI: InChI=1S/C20H24O6/c1-4-20-6-5-11-16(12-7-14(18(11)25-12)23-9(2)21)17(20)13-8-15(19(20)26-13)24-10(3)22/h4-5,12-19H,1,6-8H2,2-3H3/t12-,13-,14-,15-,16+,17+,18-,19+,20-/m1/s1
SMILES: CC(=O)OC1=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/C27H21NO5/c1-15(30)33-17-12-10-16(11-13-17)28-25(31)23-22-18-6-2-4-8-20(18)27(14-29,24(23)26(28)32)21-9-5-3-7-19(21)22/h2-13,22-24,29H,14H2,1H3/t22?,23-,24-,27?/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](O2)COC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C19H16O2/c1-2-7-15(8-3-1)19-18(21-19)13-20-17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19H,13H2/t18-,19-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H23N3O3/c1-11-5-3-8-15(12(11)2)18-16(20)10-17-13-6-4-7-14(9-13)19(21)22/h4,6-7,9,11-12,15,17H,3,5,8,10H2,1-2H3,(H,18,20)/t11-,12+,15-/m0/s1
SMILES: CCN(COC1=NC(=NC2=C1SC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)OCC
InChI: InChI=1S/C16H23N5O8S/c1-3-20(15(25)27-4-2)6-28-12-10-11(18-14(17)19-12)21(16(26)30-10)13-9(24)8(23)7(5-22)29-13/h7-9,13,22-24H,3-6H2,1-2H3,(H2,17,18,19)/t7-,8-,9-,13-/m1/s1
SMILES: C1CC[C@]2([C@@H](C1)C[C@@H]3CCCC[C@@]3([NH+]2CCO)C#N)C#N
InChI: InChI=1S/C17H25N3O/c18-12-16-7-3-1-5-14(16)11-15-6-2-4-8-17(15,13-19)20(16)9-10-21/h14-15,21H,1-11H2/p+1/t14-,15-,16+,17+/m0/s1
SMILES: C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)C[C@H](/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)OC(=O)CC(C)C)C
InChI: InChI=1S/C28H39ClO6/c1-15(2)12-24(32)35-23(13-28(7)17(4)9-11-22(31)19(28)6)16(3)8-10-20-26(33)21(14-30)18(5)25(29)27(20)34/h8,14-15,17,19,23,33-34H,9-13H2,1-7H3/b16-8+/t17-,19+,23-,28+/m1/s1
SMILES: CC(=CC(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@@H]3[C@@H](CCC2=C)C(=C)C(=O)O3)C
InChI: InChI=1S/C20H24O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h8,14-16,18-19H,3-7,9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
SMILES: CC(C)C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCOC)[C@@]3([NH2+]1)C4=C(C=CC(=C4)Cl)NC3=O
InChI: InChI=1S/C20H24ClN3O4/c1-10(2)8-14-15-16(18(26)24(17(15)25)6-7-28-3)20(23-14)12-9-11(21)4-5-13(12)22-19(20)27/h4-5,9-10,14-16,23H,6-8H2,1-3H3,(H,22,27)/p+1/t14-,15-,16+,20+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H15BrN2O2/c19-12-6-9-17-16(10-12)14-2-1-3-15(14)18(20-17)11-4-7-13(8-5-11)21(22)23/h1-2,4-10,14-15,18,20H,3H2/t14-,15-,18+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC(=O)[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
InChI: InChI=1S/C30H48O/c1-19(2)20-12-16-27(5)21(20)13-17-29(7)23(27)10-11-24-28(6)15-9-14-26(3,4)25(28)22(31)18-30(24,29)8/h20-21,23-25H,1,9-18H2,2-8H3/t20-,21-,23+,24+,25-,27-,28+,29+,30+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C21H27NO5/c1-14-4-3-5-17(15(14)2)22-20(23)13-27-21(24)9-7-16-6-8-18-19(12-16)26-11-10-25-18/h6-9,12,14-15,17H,3-5,10-11,13H2,1-2H3,(H,22,23)/b9-7+/t14-,15+,17-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)O
InChI: InChI=1S/C22H23NO4/c1-27-17-13-11-16(12-14-17)20(15-7-3-2-4-8-15)23-21(24)18-9-5-6-10-19(18)22(25)26/h2-8,11-14,18-20H,9-10H2,1H3,(H,23,24)(H,25,26)/t18-,19+,20+/m0/s1
SMILES: CC(=O)NOC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(=O)N4C)C)C
InChI: InChI=1S/C22H32N2O4/c1-13(25)23-28-20(27)17-7-6-15-14-5-8-18-22(3,12-10-19(26)24(18)4)16(14)9-11-21(15,17)2/h7,14-16,18H,5-6,8-12H2,1-4H3,(H,23,25)/t14-,15-,16-,18?,21-,22+/m0/s1
SMILES: CSC1=CC=CC(=C1)NC(=S)NNC(=S)N[C@H]2C[C@H]3C[C@@H]2C=C3
InChI: InChI=1S/C16H20N4S3/c1-23-13-4-2-3-12(9-13)17-15(21)19-20-16(22)18-14-8-10-5-6-11(14)7-10/h2-6,9-11,14H,7-8H2,1H3,(H2,17,19,21)(H2,18,20,22)/t10-,11+,14+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H24N2O5/c1-12-7-8-13(2)16(9-12)21-17(23)11-27-18(24)10-22-19(25)14-5-3-4-6-15(14)20(22)26/h7-9,14-15H,3-6,10-11H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
SMILES: CC(C)CCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)C(C)C
InChI: InChI=1S/C24H34N2O5/c1-14(2)9-11-26(24(30)15(3)4)18-13-17(23(29)25-10-12-27)20-16-7-5-6-8-19(16)31-22(20)21(18)28/h5-8,13-15,18,20-22,27-28H,9-12H2,1-4H3,(H,25,29)/t18-,20+,21+,22+/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC(=O)C4=CC=CO4
InChI: InChI=1S/C20H18ClNO5/c1-11-4-6-13-14(9-11)19(24)22(18(13)23)15-10-12(21)5-7-16(15)27-20(25)17-3-2-8-26-17/h2-3,5,7-8,10-11,13-14H,4,6,9H2,1H3/t11-,13-,14+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3C(=O)[O-]
InChI: InChI=1S/C15H13NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-4,7-10H,5-6H2,(H,19,20)/p-1/t9-,10-/m1/s1
SMILES: COC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)[C@@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C18H19NO3/c1-22-18(21)16-10-13-4-2-3-5-15(13)19(16)17(20)14-9-11-6-7-12(14)8-11/h2-7,11-12,14,16H,8-10H2,1H3/t11-,12+,14-,16+/m1/s1
SMILES: CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH2+][C@@H](C)C4=CC=CC=C4)C
InChI: InChI=1S/C23H29NO2/c1-15-8-7-11-23(3)13-21-18(12-20(15)23)19(22(25)26-21)14-24-16(2)17-9-5-4-6-10-17/h4-6,8-10,12,16,18-19,21,24H,7,11,13-14H2,1-3H3/p+1/t16-,18+,19+,21+,23+/m0/s1
SMILES: CCCC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C28H32ClIN2O7/c1-3-4-25(35)32(15-17-5-7-20(29)8-6-17)22-13-19(28(37)31-9-10-33)14-23(26(22)36)39-27-21(30)11-18(16-34)12-24(27)38-2/h5-8,11-12,14,16,22-23,26,33,36H,3-4,9-10,13,15H2,1-2H3,(H,31,37)/t22-,23+,26+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)CCNC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)C
InChI: InChI=1S/C27H44N2O9/c1-15-7-8-18-16(2)20(34-23-27(18)17(15)11-13-26(6,35-23)37-38-27)12-14-28-22(32)19(9-10-21(30)31)29-24(33)36-25(3,4)5/h15-20,23H,7-14H2,1-6H3,(H,28,32)(H,29,33)(H,30,31)/t15-,16-,17+,18+,19+,20-,23-,26-,27-/m1/s1
SMILES: CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)C
InChI: InChI=1S/C23H38O2/c1-5-14(2)18-8-9-19-17-7-6-15-12-16(24)10-11-22(15,3)20(17)13-21(25)23(18,19)4/h10-11,14-21,24-25H,5-9,12-13H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21+,22+,23-/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)CNC(=O)C5=CC=CC=C5)CN6C=NC7=CC=CC=C76
InChI: InChI=1S/C40H37N3O4/c1-27-37(24-43-26-42-35-15-5-6-16-36(35)43)46-40(47-38(27)30-19-17-28(25-44)18-20-30)34-14-8-13-33(22-34)32-12-7-9-29(21-32)23-41-39(45)31-10-3-2-4-11-31/h2-22,26-27,37-38,40,44H,23-25H2,1H3,(H,41,45)/t27-,37+,38+,40+/m0/s1
SMILES: CCC1=NN2CCCCC2=C1C3CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC(=CC=C5)F)CC6(CCCC6)C(=O)O
InChI: InChI=1S/C32H45FN4O2/c1-2-28-30(29-10-3-6-15-37(29)34-28)23-11-16-35(17-12-23)19-25-20-36(22-32(31(38)39)13-4-5-14-32)21-27(25)24-8-7-9-26(33)18-24/h7-9,18,23,25,27H,2-6,10-17,19-22H2,1H3,(H,38,39)/t25-,27+/m0/s1
SMILES: CC[C@@]12C[C@@H]([C@@](C[C@H]1CCC3=C2C=CC(=C3)O)(C#CC)O)O
InChI: InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OC3=CC=C(C4=CC=CC=C43)Cl
InChI: InChI=1S/C21H18ClNO4/c22-17-9-10-18(14-6-2-1-5-13(14)17)27-19(24)11-12-23-20(25)15-7-3-4-8-16(15)21(23)26/h1-6,9-10,15-16H,7-8,11-12H2/t15-,16+
SMILES: COCCC(C[C@@H]1CC(=C2[C@@]3([C@H]1N(CC3)CC4=CC=CC=C4)C5=CC=CC=C5N2)C(=O)OC)C6OCCO6
InChI: InChI=1S/C31H38N2O5/c1-35-15-12-22(30-37-16-17-38-30)18-23-19-24(29(34)36-2)27-31(25-10-6-7-11-26(25)32-27)13-14-33(28(23)31)20-21-8-4-3-5-9-21/h3-11,22-23,28,30,32H,12-20H2,1-2H3/t22?,23-,28+,31+/m1/s1
SMILES: C[C@@H]1CC[C@H](C[C@H]1OC(=O)[C@@H]2[C@H](C(=O)NC2=C)CC(=O)[O-])C(C)C
InChI: InChI=1S/C18H27NO5/c1-9(2)12-6-5-10(3)14(7-12)24-18(23)16-11(4)19-17(22)13(16)8-15(20)21/h9-10,12-14,16H,4-8H2,1-3H3,(H,19,22)(H,20,21)/p-1/t10-,12-,13-,14-,16+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)N([C@]1(C(F)(F)F)O)C)C2=CC=CC=C2C(F)(F)F
InChI: InChI=1S/C16H16F6N2O4/c1-3-28-12(25)10-11(8-6-4-5-7-9(8)15(17,18)19)23-13(26)24(2)14(10,27)16(20,21)22/h4-7,10-11,27H,3H2,1-2H3,(H,23,26)/t10-,11+,14-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C(=O)O[C@]23[C@H]1CC[C@@]4([C@H]3O4)C)C[NH+]5C[C@H](O[C@@H](C5)C)C
InChI: InChI=1S/C21H33NO4/c1-12-5-6-17-15(11-22-9-13(2)24-14(3)10-22)18(23)25-21(17)16(12)7-8-20(4)19(21)26-20/h12-17,19H,5-11H2,1-4H3/p+1/t12-,13+,14+,15+,16-,17+,19+,20+,21+/m0/s1