EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C26H25NO4/c1-26(2,3)18-9-11-20(12-10-18)31-25(30)17-5-4-6-19(14-17)27-23(28)21-15-7-8-16(13-15)22(21)24(27)29/h4-12,14-16,21-22H,13H2,1-3H3/t15-,16+,21+,22-
SMILES: COC1=CC=C(C=C1)COC(=O)N/N=C/2\C[C@H]([C@H]([C@H]3[C@H]2CC[C@@H]4[C@H]3C(=O)N(C4=O)C[C@@H]5CCCO5)O)O
InChI: InChI=1S/C26H33N3O8/c1-35-15-6-4-14(5-7-15)13-37-26(34)28-27-19-11-20(30)23(31)21-17(19)8-9-18-22(21)25(33)29(24(18)32)12-16-3-2-10-36-16/h4-7,16-18,20-23,30-31H,2-3,8-13H2,1H3,(H,28,34)/b27-19+/t16-,17-,18+,20+,21-,22+,23+/m0/s1
SMILES: CC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@H](N3)CC5=CC=CC=C5)C(=O)NC4=O)C(=O)N2
InChI: InChI=1S/C21H19N3O3/c1-11-6-5-9-13-17(11)22-20(27)21(13)16-15(18(25)23-19(16)26)14(24-21)10-12-7-3-2-4-8-12/h2-9,14-16,24H,10H2,1H3,(H,22,27)(H,23,25,26)/t14-,15-,16+,21+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3CC[C@H](C[C@H]3C2=O)C
InChI: InChI=1S/C18H21NO4/c1-3-23-18(22)12-5-7-13(8-6-12)19-16(20)14-9-4-11(2)10-15(14)17(19)21/h5-8,11,14-15H,3-4,9-10H2,1-2H3/t11-,14-,15-/m1/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)[C@]4(CCCC[C@H]4C)NC3=O
InChI: InChI=1S/C22H32N4O3/c1-3-29-19-10-5-4-9-18(19)25-14-12-24(13-15-25)16-26-20(27)22(23-21(26)28)11-7-6-8-17(22)2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,23,28)/t17-,22-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1CCCN2[C@]1(CCC2=O)O
InChI: InChI=1S/C18H35NO3Si/c1-13(2)23(14(3)4,15(5)6)22-12-16-8-7-11-19-17(20)9-10-18(16,19)21/h13-16,21H,7-12H2,1-6H3/t16-,18+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCC(=CC2)C3=CC=CC=C3
InChI: InChI=1S/C21H30N2O/c1-16-8-6-7-11-20(16)22-21(24)17(2)23-14-12-19(13-15-23)18-9-4-3-5-10-18/h3-5,9-10,12,16-17,20H,6-8,11,13-15H2,1-2H3,(H,22,24)/t16-,17+,20-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H](C[C@@H](O1)C2=CC=CC=C2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H22O7/c1-11(19)22-10-17-18(24-13(3)21)16(23-12(2)20)9-15(25-17)14-7-5-4-6-8-14/h4-8,15-18H,9-10H2,1-3H3/t15-,16-,17-,18-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@H]2[C@@H]([C@H](OC([C@@H]2O)O)CO)O)O)O)O)O
InChI: InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11?,12-/m1/s1
SMILES: CCC1=CC=C(C=C1)CN2CCN(CC2)C[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C21H30N2/c1-2-17-3-5-18(6-4-17)15-22-9-11-23(12-10-22)16-21-14-19-7-8-20(21)13-19/h3-8,19-21H,2,9-16H2,1H3/t19-,20+,21-/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@](C3[C@@H]4[C@H]5C=C([C@@]6([C@@H]4C(=C3[C@H]2OC1=O)C)[C@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O
InChI: InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20+,21+,22?,23-,24+,25-,28-,29-,30+/m0/s1
SMILES: CC(C)C1=C(C=C2C(=C1)C=C[C@@H]3[C@@]2(CCCC3(C)C)C)O[C@H]4[C@H](C5=CC(=C(C=C5[C@@]6([C@@H]4C(CCC6)(C)C)C)O)C(C)C)O
InChI: InChI=1S/C40H56O3/c1-23(2)26-20-28-30(21-31(26)41)40(10)18-12-16-38(7,8)36(40)35(34(28)42)43-32-22-29-25(19-27(32)24(3)4)13-14-33-37(5,6)15-11-17-39(29,33)9/h13-14,19-24,33-36,41-42H,11-12,15-18H2,1-10H3/t33-,34-,35-,36-,39+,40+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)N2CCN(CC2)C3=CC=CC=C3
InChI: InChI=1S/C21H33N3O/c1-16-8-7-11-20(17(16)2)22-21(25)18(3)23-12-14-24(15-13-23)19-9-5-4-6-10-19/h4-6,9-10,16-18,20H,7-8,11-15H2,1-3H3,(H,22,25)/t16-,17+,18+,20-/m0/s1
SMILES: C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]([C@H]2I)O[C@]4(O[C@@H]3O)CC5=CC=CC=C5
InChI: InChI=1S/C16H17IO3/c17-13-9-6-10-12-11(9)15(18)20-16(12,19-14(10)13)7-8-4-2-1-3-5-8/h1-5,9-15,18H,6-7H2/t9-,10+,11-,12+,13-,14-,15-,16-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](CC1=O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)C(=O)OCCC5=CC=C(C=C5)O
InChI: InChI=1S/C30H40O16/c1-12-17(33)8-15-16(27(40)41-7-6-13-2-4-14(32)5-3-13)10-42-28(20(12)15)46-30-26(39)24(37)22(35)19(45-30)11-43-29-25(38)23(36)21(34)18(9-31)44-29/h2-5,10,12,15,18-26,28-32,34-39H,6-9,11H2,1H3/t12-,15+,18+,19+,20+,21+,22+,23-,24-,25+,26+,28-,29-,30-/m0/s1
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3C(=O)N4CC[C@H]5[C@H]4[C@@H](C(=O)N5C(=O)C6CC6)C
InChI: InChI=1S/C32H37N3O5/c1-3-19-40-25-14-12-22(13-15-25)21-6-8-23(9-7-21)30(37)33-17-4-5-27(33)32(39)34-18-16-26-28(34)20(2)29(36)35(26)31(38)24-10-11-24/h6-9,12-15,20,24,26-28H,3-5,10-11,16-19H2,1-2H3/t20-,26-,27-,28+/m0/s1
SMILES: CO[C@]1(C[C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)CCO
InChI: InChI=1S/C22H28O5/c1-24-22(12-13-23)14-20(26-16-19-10-6-3-7-11-19)21(27-22)17-25-15-18-8-4-2-5-9-18/h2-11,20-21,23H,12-17H2,1H3/t20-,21+,22+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=CC=C2NC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25)/t15-,16-/m1/s1
SMILES: CCC[C@H]1C[C@]2([C@@H](O1)C=CC3=CC=CC=C32)C4=CC(=CC=C4)OC
InChI: InChI=1S/C22H24O2/c1-3-7-19-15-22(17-9-6-10-18(14-17)23-2)20-11-5-4-8-16(20)12-13-21(22)24-19/h4-6,8-14,19,21H,3,7,15H2,1-2H3/t19-,21-,22-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)CC(=O)OC(C)(C)C)[C@@H](C)C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C
InChI: InChI=1S/C22H31NO8S/c1-14(21(26)29-13-16-10-8-7-9-11-16)19-18(15(2)31-32(6,27)28)20(25)23(19)12-17(24)30-22(3,4)5/h7-11,14-15,18-19H,12-13H2,1-6H3/t14-,15-,18-,19-/m1/s1
SMILES: C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](C[C@H]2[C@@H]1[C@@H]([C@](C[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C)(CO)O)OC(=O)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C49H84O7Si3/c1-34(2)43(32-54-58(16,17)47(8,9)10)42-30-49(52,33-50)45(55-36(4)51)44-40(35(3)31-53-57(14,15)46(5,6)7)28-37(29-41(42)44)56-59(48(11,12)13,38-24-20-18-21-25-38)39-26-22-19-23-27-39/h18-27,34-35,37,40-45,50,52H,28-33H2,1-17H3/t35-,37-,40+,41-,42-,43-,44-,45+,49+/m1/s1
SMILES: C[C@@]1(C[C@@H]1[C@H]2C[C@@H]2CCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC[C@H](CC=C)OC.[I-]
InChI: InChI=1S/C35H44OP.HI/c1-4-15-29(36-3)23-24-35(2)27-34(35)33-26-28(33)16-14-25-37(30-17-8-5-9-18-30,31-19-10-6-11-20-31)32-21-12-7-13-22-32;/h4-13,17-22,28-29,33-34H,1,14-16,23-27H2,2-3H3;1H/q+1;/p-1/t28-,29-,33-,34+,35-;/m0./s1
SMILES: C[C@@]12CC[C@@H]([C@]1([C@H](CC3=C2CCC4[C@@]3(C[C@H]([C@@H](C4(C)C)O)OC(=O)CC(C)(CC(=O)NCC(=O)OC)O)C)O)C)[C@@H](CC[C@H](C(C)(C)O)O)CO
InChI: InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44)/t22-,23+,26+,27?,28+,29-,33-,36?,37+,38-,39-/m0/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H17F3N2O4/c1-28-13-10-6-5-9-12(13)15-14(16(25)11-7-3-2-4-8-11)18(27,19(20,21)22)24-17(26)23-15/h2-10,14-15,27H,1H3,(H2,23,24,26)/t14-,15+,18-/m0/s1
SMILES: C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC=C(O2)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C22H18FN3O3/c1-13-19(21(27)25-16-5-3-2-4-6-16)20(26-22(28)24-13)18-12-11-17(29-18)14-7-9-15(23)10-8-14/h2-12,19-20H,1H2,(H,25,27)(H2,24,26,28)/t19-,20-/m0/s1
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)Cl
InChI: InChI=1S/C14H18ClNO3S/c1-19-14-5-4-11(8-12(14)15)20(17,18)16-13-7-9-2-3-10(13)6-9/h4-5,8-10,13,16H,2-3,6-7H2,1H3/t9-,10+,13-/m0/s1
SMILES: CC1(N([C@]2(CC[C@]([C@@H]2O)(CO[Si](C)(C)C(C)(C)C)O)CO1)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C21H41NO6Si/c1-17(2,3)28-16(24)22-19(7,8)26-13-20(22)11-12-21(25,15(20)23)14-27-29(9,10)18(4,5)6/h15,23,25H,11-14H2,1-10H3/t15-,20-,21-/m1/s1
SMILES: C[C@@]12CCC3(CC1=CC[C@H]4[C@H]2CC[C@]5([C@@H]4CC[C@]56CCC(=O)O6)C)OCCO3
InChI: InChI=1S/C24H34O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3,17-19H,4-15H2,1-2H3/t17-,18+,19+,21+,22-,23-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)SC5CCCC5
InChI: InChI=1S/C20H25N5O5S/c1-27-13-8-6-12(7-9-13)21-20(26)30-16-11-29-17-15(10-28-18(16)17)25-19(22-23-24-25)31-14-4-2-3-5-14/h6-9,14-18H,2-5,10-11H2,1H3,(H,21,26)/t15-,16+,17+,18+/m0/s1
SMILES: C1[C@@H]([C@H](CO[C@]1(COCC2=CC=CC=C2)C3=CC=CC=C3)O)OCC4=CC=CC=C4
InChI: InChI=1S/C26H28O4/c27-24-19-30-26(23-14-8-3-9-15-23,20-28-17-21-10-4-1-5-11-21)16-25(24)29-18-22-12-6-2-7-13-22/h1-15,24-25,27H,16-20H2/t24-,25-,26+/m0/s1
SMILES: C[C@@]12CC[C@@H](C[C@@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(O2)(C)C
InChI: InChI=1S/C16H28O7/c1-15(2)8-4-5-16(3,23-15)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3/t8-,9+,10-,11+,12-,13+,14-,16+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(C[C@H]2CCCO2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO)C(C)C
InChI: InChI=1S/C32H47IN2O7/c1-20(2)24-11-10-21(3)15-28(24)41-19-30(37)35(18-23-7-6-14-40-23)26-16-22(32(39)34-12-13-36)17-29(31(26)38)42-27-9-5-4-8-25(27)33/h4-5,8-9,17,20-21,23-24,26,28-29,31,36,38H,6-7,10-16,18-19H2,1-3H3,(H,34,39)/t21-,23+,24+,26+,28-,29-,31-/m0/s1
SMILES: CC(C)CNC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4C)C)C
InChI: InChI=1S/C24H38N2O2/c1-15(2)14-25-22(28)19-8-7-17-16-6-9-20-24(4,13-11-21(27)26(20)5)18(16)10-12-23(17,19)3/h11,13,15-20H,6-10,12,14H2,1-5H3,(H,25,28)/t16-,17-,18-,19+,20+,23-,24+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C
InChI: InChI=1S/C23H29N3O5/c1-14(2)12-20(28)24-17-10-8-16(9-11-17)19(27)13-25-21(29)22(30)26(23(25)31)18-7-5-4-6-15(18)3/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,24,28)/t15-,18-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N4C=CN=C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H56N6O4Si3/c1-29(2,3)42(10,11)38-18-22-24(40-43(12,13)30(4,5)6)25(41-44(14,15)31(7,8)9)28(39-22)37-21-35-23-26(33-19-34-27(23)37)36-17-16-32-20-36/h16-17,19-22,24-25,28H,18H2,1-15H3/t22-,24-,25-,28-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].COC1=CC=CC=C1C2=NOC(=O)N2C3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C16H11F3N2O3.C10H13N5O4/c1-23-13-8-3-2-7-12(13)14-20-24-15(22)21(14)11-6-4-5-10(9-11)16(17,18)19;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h2-9H,1H3;3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t;6-,7+,8+/m.0/s1
SMILES: CC1=C(C[C@H]([C@@H](C1)C(=O)NC2=CC(=CC=C2)OC)C(=O)O)C
InChI: InChI=1S/C17H21NO4/c1-10-7-14(15(17(20)21)8-11(10)2)16(19)18-12-5-4-6-13(9-12)22-3/h4-6,9,14-15H,7-8H2,1-3H3,(H,18,19)(H,20,21)/t14-,15-/m1/s1
SMILES: CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)OC(=O)CCC
InChI: InChI=1S/C15H26O8/c1-4-6-10(16)21-8-9-14(23-11(17)7-5-2)12(18)13(19)15(20-3)22-9/h9,12-15,18-19H,4-8H2,1-3H3/t9-,12-,13+,14-,15+/m1/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H34O9/c1-5-6-7-8-9-10-11-25-20-19(28-15(4)24)18(27-14(3)23)17(26-13(2)22)16(12-21)29-20/h16-21H,5-12H2,1-4H3/t16-,17-,18+,19-,20-/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@H]2[C@@H](OC(O2)(C)C)/C=C\C(=O)OC)CO)C
InChI: InChI=1S/C15H24O7/c1-14(2)19-9(6-7-11(17)18-5)12(21-14)13-10(8-16)20-15(3,4)22-13/h6-7,9-10,12-13,16H,8H2,1-5H3/b7-6-/t9-,10+,12+,13+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H](C[C@](O[C@@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)OC(=O)C
InChI: InChI=1S/C20H28ClNO12/c1-9(23)22-16-14(31-11(3)25)7-20(21,19(28)29-6)34-18(16)17(33-13(5)27)15(32-12(4)26)8-30-10(2)24/h14-18H,7-8H2,1-6H3,(H,22,23)/t14-,15+,16-,17+,18-,20-/m0/s1
SMILES: B(C1=CC(=CC=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=CC(=C(C=C6)O)C)C7=CC=CC=C7)NC8=CC=C(C=C8)C)(O)O
InChI: InChI=1S/C40H36BN3O7/c1-22-11-14-27(15-12-22)42-44-37(47)32-21-31-29(16-17-30-34(31)38(48)43(36(30)46)28-10-6-9-26(20-28)41(50)51)35(24-13-18-33(45)23(2)19-24)40(32,39(44)49)25-7-4-3-5-8-25/h3-16,18-20,30-32,34-35,42,45,50-51H,17,21H2,1-2H3/t30-,31+,32-,34-,35-,40+/m0/s1
SMILES: CC1=C([C@H](C2=C(N1)C[C@@H]([C@@H](C2=O)C(=O)OC)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Cl)C(=O)OC
InChI: InChI=1S/C27H26ClNO6/c1-14-21(26(31)34-3)22(16-5-9-17(28)10-6-16)24-20(29-14)13-19(23(25(24)30)27(32)35-4)15-7-11-18(33-2)12-8-15/h5-12,19,22-23,29H,13H2,1-4H3/t19-,22-,23+/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CNCC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C23H31NO3/c1-15-5-4-10-23(2)12-21-18(11-20(15)23)19(22(25)27-21)14-24-13-16-6-8-17(26-3)9-7-16/h6-9,11,15,18-19,21,24H,4-5,10,12-14H2,1-3H3/t15-,18+,19+,21+,23+/m0/s1
SMILES: C1=C[C@@H]2[C@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C22H16ClN5O5/c23-12-6-8-13(9-7-12)25-20(29)19-18-17(16-5-2-10-24-27(16)19)21(30)26(22(18)31)14-3-1-4-15(11-14)28(32)33/h1-11,16-19H,(H,25,29)/t16-,17+,18-,19+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H]([C@H](N[C@H]1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C20H21NO3/c1-13(22)16-17(14-9-5-3-6-10-14)19(20(23)24-2)21-18(16)15-11-7-4-8-12-15/h3-12,16-19,21H,1-2H3/t16-,17-,18-,19-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC=CC=C2C
InChI: InChI=1S/C18H22N2O6/c1-11-5-3-4-6-15(11)19-17(22)10-26-18(23)8-13-14(9-20(24)25)12(2)7-16(13)21/h3-6,12-14H,7-10H2,1-2H3,(H,19,22)/t12-,13+,14+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H]([C@@H]1OC(=O)/C=C/C3=CC=C(C=C3)O)O)C(=CO[C@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)OC
InChI: InChI=1S/C26H32O13/c1-11-17-18(20(31)23(11)38-16(29)8-5-12-3-6-13(28)7-4-12)14(24(34)35-2)10-36-25(17)39-26-22(33)21(32)19(30)15(9-27)37-26/h3-8,10-11,15,17-23,25-28,30-33H,9H2,1-2H3/b8-5+/t11-,15+,17+,18+,19+,20-,21-,22+,23+,25-,26-/m0/s1
SMILES: C[C@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CC[C@@H](C6)OC(=O)CN)C)C)C)OC1
InChI: InChI=1S/C29H47NO4/c1-17-7-12-29(32-16-17)18(2)26-24(34-29)14-23-21-6-5-19-13-20(33-25(31)15-30)8-10-27(19,3)22(21)9-11-28(23,26)4/h17-24,26H,5-16,30H2,1-4H3/t17-,18-,19?,20-,21?,22?,23?,24?,26?,27-,28-,29+/m0/s1
SMILES: C1CN(CC[NH+]1C[C@H]2C[C@H]3C[C@@H]2C=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O4S/c22-21(23)17-3-1-2-4-18(17)26(24,25)20-9-7-19(8-10-20)13-16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2/p+1/t14-,15+,16-/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCCOC)[C@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O
InChI: InChI=1S/C20H24ClN3O4/c1-10(2)16-14-15(18(26)24(17(14)25)7-4-8-28-3)20(23-16)12-9-11(21)5-6-13(12)22-19(20)27/h5-6,9-10,14-16,23H,4,7-8H2,1-3H3,(H,22,27)/t14-,15-,16+,20+/m0/s1
SMILES: CC(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=CC=C3O)(C)C(=O)O
InChI: InChI=1S/C17H20N2O5/c1-8(2)19-14(21)11-12(15(19)22)17(3,16(23)24)18-13(11)9-6-4-5-7-10(9)20/h4-8,11-13,18,20H,1-3H3,(H,23,24)/t11-,12+,13+,17-/m1/s1
SMILES: CC1=CC[C@@H]([C@@H]2[C@H]1[C@H](O[C@H]2/C(=C\CCO)/C)CC#C)C(C)C
InChI: InChI=1S/C20H30O2/c1-6-8-17-18-14(4)10-11-16(13(2)3)19(18)20(22-17)15(5)9-7-12-21/h1,9-10,13,16-21H,7-8,11-12H2,2-5H3/b15-9-/t16-,17-,18-,19-,20+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4[C@](C3[C@@H]([C@@]5(C2(C)C)C([C@@H]1OC(=O)[C@@](C)([C@@H](C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C47H55NO17/c1-23-30-32(59-24(2)49)35(52)44(9)28(51)21-29-46(22-58-29,63-25(3)50)33(44)37(61-38(53)27-19-15-12-16-20-27)47(43(30,7)8)36(62-41(56)65-47)31(23)60-39(54)45(10,57)34(26-17-13-11-14-18-26)48-40(55)64-42(4,5)6/h11-20,28-29,31-34,36-37,51,57H,21-22H2,1-10H3,(H,48,55)/t28-,29?,31+,32+,33?,34+,36?,37-,44+,45+,46-,47+/m0/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@H](OC1C2=C(C(=C(C=C2O)OC)OC)OC)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C37H42O8/c1-25-33(32-29(38)20-30(39-2)35(40-3)37(32)41-4)45-31(24-42-21-26-14-8-5-9-15-26)36(44-23-28-18-12-7-13-19-28)34(25)43-22-27-16-10-6-11-17-27/h5-20,25,31,33-34,36,38H,21-24H2,1-4H3/t25-,31-,33?,34-,36-/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@H](C1=O)[C@](N[C@H]2C3=CC=C(C=C3)Cl)(C)C(=O)OC
InChI: InChI=1S/C17H19ClN2O4/c1-4-20-14(21)11-12(15(20)22)17(2,16(23)24-3)19-13(11)9-5-7-10(18)8-6-9/h5-8,11-13,19H,4H2,1-3H3/t11-,12+,13-,17+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(CC3C=NC4=CC=CC=C34)C(=O)N)CO)O)O
InChI: InChI=1S/C21H25N5O6/c1-21(31)17(28)15(10-27)32-19(21)26-7-6-16(25-20(26)30)24-14(18(22)29)8-11-9-23-13-5-3-2-4-12(11)13/h2-7,9,11,14-15,17,19,27-28,31H,8,10H2,1H3,(H2,22,29)(H,24,25,30)/t11?,14?,15-,17-,19-,21-/m1/s1
SMILES: CCCC(=O)OCCOC(=O)NC(=N[C@@H]1C=C(O[C@@H]([C@@H]1NC(=O)OC)C([C@@H](CO)O)OCC)C(=O)O)N
InChI: InChI=1S/C21H34N4O12/c1-4-6-14(28)35-7-8-36-21(32)25-19(22)23-11-9-13(18(29)30)37-17(15(11)24-20(31)33-3)16(34-5-2)12(27)10-26/h9,11-12,15-17,26-27H,4-8,10H2,1-3H3,(H,24,31)(H,29,30)(H3,22,23,25,32)/t11-,12-,15-,16?,17+/m1/s1
SMILES: C1CCN(CC1)CCNC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)C5=NN(N=N5)CCO)O)O)NCC(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C33H41N11O4/c45-19-18-44-40-30(39-41-44)28-26(46)27(47)32(48-28)43-21-36-25-29(37-33(38-31(25)43)34-14-17-42-15-8-3-9-16-42)35-20-24(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,21,24,26-28,32,45-47H,3,8-9,14-20H2,(H2,34,35,37,38)/t26-,27+,28-,32+/m0/s1
SMILES: C1C[C@@H]2[C@@H](C[C@H]1C3=CC=CC=C3)C(=O)N4[C@]2(OC[C@H]5[C@@H]4CC=CC5)C6=CC=CC=C6
InChI: InChI=1S/C27H29NO2/c29-26-23-17-20(19-9-3-1-4-10-19)15-16-24(23)27(22-12-5-2-6-13-22)28(26)25-14-8-7-11-21(25)18-30-27/h1-10,12-13,20-21,23-25H,11,14-18H2/t20-,21-,23+,24+,25-,27-/m0/s1
SMILES: C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@@H]3C=CC4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H27N3O3/c29-25(27-14-3-1-2-4-15-27)18-10-13-23-22(16-18)20-6-5-7-21(20)24(26-23)17-8-11-19(12-9-17)28(30)31/h5-6,8-13,16,20-21,24,26H,1-4,7,14-15H2/t20-,21+,24-/m0/s1
SMILES: C[C@@H]1[C@H]2CC3=C([C@]1(CCCN2CC4CC4)C)C=C(C=C3)O.Cl
InChI: InChI=1S/C19H27NO.ClH/c1-13-18-10-15-6-7-16(21)11-17(15)19(13,2)8-3-9-20(18)12-14-4-5-14;/h6-7,11,13-14,18,21H,3-5,8-10,12H2,1-2H3;1H/t13-,18-,19+;/m1./s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3=CC(=CC=C3)Cl)[C@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C20H16ClN3O3/c1-10-15-16(18(26)24(17(15)25)12-6-4-5-11(21)9-12)20(23-10)13-7-2-3-8-14(13)22-19(20)27/h2-10,15-16,23H,1H3,(H,22,27)/p+1/t10-,15-,16-,20-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOCC)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OCC=C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C53H76N2O10/c1-5-9-10-11-12-13-14-15-16-21-32-60-52(58)55(37-39-24-26-47-48(33-39)62-38-61-47)49-36-45(54-64-8-4)43-34-40(22-17-19-28-56)42(23-18-20-29-57)50-44-35-41(59-30-6-2)25-27-46(44)65-53(49,51(43)50)63-31-7-3/h6-7,24-27,33-35,40,42,49-51,56-57H,2-3,5,8-23,28-32,36-38H2,1,4H3/t40-,42+,49-,50+,51+,53+/m0/s1
SMILES: C[C@]12CCCC(=O)C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@H]4O)F)C
InChI: InChI=1S/C19H29FO2/c1-18-8-3-4-16(21)13(18)6-5-11-12(18)7-9-19(2)14(11)10-15(20)17(19)22/h11-15,17,22H,3-10H2,1-2H3/t11-,12+,13?,14+,15-,17-,18-,19+/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC)N=O
InChI: InChI=1S/C15H14N4O6/c1-3-25-15(22)11-10-12(19(16-11)17-23)14(21)18(13(10)20)8-4-6-9(24-2)7-5-8/h4-7,10,12H,3H2,1-2H3/t10-,12+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1C[C@H](O[C@@H]2[C@@]1(O[C@@]([C@@H](C2)OCC3=CC=CC=C3)(C)CCOCC4=CC=CC=C4)C)CC=C
InChI: InChI=1S/C38H58O5Si/c1-10-17-33-24-36(42-44(28(2)3,29(4)5)30(6)7)38(9)35(41-33)25-34(40-27-32-20-15-12-16-21-32)37(8,43-38)22-23-39-26-31-18-13-11-14-19-31/h10-16,18-21,28-30,33-36H,1,17,22-27H2,2-9H3/t33-,34-,35+,36-,37+,38+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C23H25NO6S/c1-4-30-23(26)22-20(15-8-10-19(29-2)11-9-15)13-17(14-21(22)25)16-6-5-7-18(12-16)24-31(3,27)28/h5-12,14,20,22,24H,4,13H2,1-3H3/t20-,22+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC5=CC=CC=C5N4[C@H]([C@H]3C2=O)C(=O)NC6=CC=C(C=C6)Cl)C
InChI: InChI=1S/C29H24ClN3O3/c1-16-7-13-21(17(2)15-16)33-28(35)24-23-14-8-18-5-3-4-6-22(18)32(23)26(25(24)29(33)36)27(34)31-20-11-9-19(30)10-12-20/h3-15,23-26H,1-2H3,(H,31,34)/t23-,24-,25-,26+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC(=O)N1CC([C@@H]2[C@@]1(C(=O)N(CC2)CC3=CC=CC=C3)[C@H](COC)OS(=O)(=O)C)CC(OC)OC
InChI: InChI=1S/C29H48N2O9SSi/c1-28(2,3)42(8,9)40-27(33)31-19-22(17-25(37-5)38-6)23-15-16-30(18-21-13-11-10-12-14-21)26(32)29(23,31)24(20-36-4)39-41(7,34)35/h10-14,22-25H,15-20H2,1-9H3/t22?,23-,24+,29+/m1/s1
SMILES: CCOC(=O)C[C@@H]1[C@H]([C@@H](CC1=O)C)C(C)[N+](=O)[O-]
InChI: InChI=1S/C12H19NO5/c1-4-18-11(15)6-9-10(14)5-7(2)12(9)8(3)13(16)17/h7-9,12H,4-6H2,1-3H3/t7-,8?,9+,12-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C(=CC(=O)NC3=O)COC[C@@H]4[C@@H]5[C@H]([C@@H](O4)N6C=NC7=C(N=CN=C76)N)OC(O5)(C)C)OC(O2)(C)C
InChI: InChI=1S/C35H53N7O10Si/c1-17(2)53(18(3)4,19(5)6)46-14-22-26-28(52-35(9,10)50-26)32(48-22)42-20(11-23(43)40-33(42)44)12-45-13-21-25-27(51-34(7,8)49-25)31(47-21)41-16-39-24-29(36)37-15-38-30(24)41/h11,15-19,21-22,25-28,31-32H,12-14H2,1-10H3,(H2,36,37,38)(H,40,43,44)/t21-,22-,25-,26-,27-,28-,31-,32-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)NCC#C)O)C)C)C)O)(C)O
InChI: InChI=1S/C38H63NO12/c1-13-15-39-25-16-20(4)46-35(28(25)40)50-33-22(6)30(49-27-18-36(9,45-12)32(42)24(8)47-27)23(7)34(43)48-26(14-2)38(11,44)31(41)21(5)29-19(3)17-37(33,10)51-29/h1,20-28,30-33,35,39-42,44H,14-18H2,2-12H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=C(C=C2)CNC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C4=CC=C(C=C4)CO)C
InChI: InChI=1S/C43H57F5N2O4/c1-4-6-8-10-12-14-24-50(25-15-13-11-9-7-5-2)27-34-29(3)41(32-20-18-31(28-51)19-21-32)54-43(53-34)33-22-16-30(17-23-33)26-49-42(52)35-36(44)38(46)40(48)39(47)37(35)45/h16-23,29,34,41,43,51H,4-15,24-28H2,1-3H3,(H,49,52)/t29-,34+,41+,43+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)C(=O)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H46N4O10SSi2/c1-16-13-31(24(35)30(8)22(16)34)23-19(40-44(11,12)26(5,6)7)27(18(39-23)14-38-43(9,10)25(2,3)4)17(15-42(36,37)41-27)29-21(33)20(28)32/h13,15,18-19,23H,14H2,1-12H3,(H2,28,32)(H,29,33)/t18-,19+,23-,27-/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H](OC[C@@]3([C@@H]([C@H]2O)Cl)O)OC1O
InChI: InChI=1S/C9H13ClO5/c10-7-6(12)3-1-4(11)15-8-5(3)9(7,13)2-14-8/h3-8,11-13H,1-2H2/t3-,4?,5-,6+,7-,8+,9-/m1/s1
SMILES: CC(=O)[C@@]1([C@](N1C(=O)C2=CC=CC=C2)(C)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H21NO3/c1-18(27)25(21-16-10-5-11-17-21)24(2,22(28)19-12-6-3-7-13-19)26(25)23(29)20-14-8-4-9-15-20/h3-17H,1-2H3/t24-,25-,26?/m0/s1
SMILES: CC1=N[C@]2(C3=CC=CC=C3C(=O)[C@@]2(C1C(=O)OC4CCCC4)O)O
InChI: InChI=1S/C18H19NO5/c1-10-14(16(21)24-11-6-2-3-7-11)17(22)15(20)12-8-4-5-9-13(12)18(17,23)19-10/h4-5,8-9,11,14,22-23H,2-3,6-7H2,1H3/t14?,17-,18-/m1/s1
SMILES: C1CCN(C1)/[N+](=N/O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/[O-]
InChI: InChI=1S/C10H19N3O7/c14-5-6-7(15)8(16)9(17)10(19-6)20-11-13(18)12-3-1-2-4-12/h6-10,14-17H,1-5H2/b13-11-/t6-,7-,8+,9-,10+/m1/s1
SMILES: C1[C@@H]2C=C([C@H]1[C@@H]3[C@H]2C4=CC=CC=C34)C5=C([C@@H]6C[C@H]5[C@H]7[C@@H]6C8=CC=CC=C78)C9=C([C@@H]1C[C@H]9[C@H]2[C@@H]1C1=CC=CC=C21)Br
InChI: InChI=1S/C39H31Br/c40-39-29-16-28(34-22-11-5-6-12-23(22)35(29)34)38(39)37-27-15-26(32-20-9-3-4-10-21(20)33(27)32)36(37)25-14-17-13-24(25)31-19-8-2-1-7-18(19)30(17)31/h1-12,14,17,24,26-35H,13,15-16H2/t17-,24+,26+,27-,28+,29-,30-,31-,32+,33-,34+,35-/m1/s1
SMILES: CCOC(=O)CNC(=O)O[C@@H]1CC2=C(C=CC(=C2)OC)O[C@H]1C3=CC(=CC=C3)OC
InChI: InChI=1S/C22H25NO7/c1-4-28-20(24)13-23-22(25)30-19-12-15-11-17(27-3)8-9-18(15)29-21(19)14-6-5-7-16(10-14)26-2/h5-11,19,21H,4,12-13H2,1-3H3,(H,23,25)/t19-,21+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=CC=C5OC
InChI: InChI=1S/C26H27N5O5/c1-15(32)16-7-9-17(10-8-16)28-26(33)31-21-14-36-23-20(13-35-24(21)23)30-25-27-12-11-19(29-25)18-5-3-4-6-22(18)34-2/h3-12,20-21,23-24H,13-14H2,1-2H3,(H,27,29,30)(H2,28,31,33)/t20-,21-,23+,24+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@@H](C)OC2=CC=C(C=C2)F
InChI: InChI=1S/C18H24FNO4/c1-12-5-3-4-6-16(12)20-17(21)11-23-18(22)13(2)24-15-9-7-14(19)8-10-15/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,20,21)/t12-,13+,16-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2NC3=C(C=C(C=C3C)C)C
InChI: InChI=1S/C22H30N2O2S/c1-15-9-11-19(12-10-15)27(25,26)24-21-8-6-5-7-20(21)23-22-17(3)13-16(2)14-18(22)4/h9-14,20-21,23-24H,5-8H2,1-4H3/t20-,21-/m1/s1
SMILES: C1CCC(CC1)C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6
InChI: InChI=1S/C29H34N4O2/c1-3-7-20(8-4-1)17-31-25-18-34-28-26(19-35-27(25)28)33-29-30-16-15-24(32-29)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h2,5-6,9-16,20,25-28,31H,1,3-4,7-8,17-19H2,(H,30,32,33)/p+1/t25-,26-,27+,28+/m0/s1