EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[C@H]6C(C([C@@H](C(O6)CO[C@H]7C(C([C@@H](C(O7)CO)O)O)O)O)O)O
InChI: InChI=1S/C35H54O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h11,17-23,25-32,36,38-44H,3-10,12-15H2,1-2H3/t17-,18+,19-,20?,21?,22?,23?,25-,26-,27?,28?,29?,30?,31-,32-,33+,34-,35+/m1/s1
SMILES: CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]
InChI: InChI=1S/C20H19F3N2O5S/c1-24-9-8-13-10-17(25(26)27)18(30-31(28,29)20(21,22)23)11-15(13)19-14-5-3-2-4-12(14)6-7-16(19)24/h2-5,10-11,16,19H,6-9H2,1H3/t16-,19+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)O)C)O)C(=O)O)[C@@H]5C[C@]5(C)[C@H](C)C(C)C
InChI: InChI=1S/C32H50O6/c1-16(2)18(4)30(6)14-25(30)17(3)23-10-11-24-22-9-8-20-12-21(38-19(5)33)13-27(35)31(20,7)28(22)26(34)15-32(23,24)29(36)37/h8,16-18,21-28,34-35H,9-15H2,1-7H3,(H,36,37)/t17-,18+,21+,22-,23+,24-,25-,26+,27-,28+,30+,31+,32-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl
InChI: InChI=1S/C32H27ClF3N3O5/c1-13-9-16(10-14(2)27(13)41)24-17-5-6-18-25(19(17)12-20-22(40)11-15(3)28(42)26(20)24)31(44)39(30(18)43)38(4)29-21(33)7-8-23(37-29)32(34,35)36/h5,7-11,18-19,24-25,41H,6,12H2,1-4H3/t18-,19+,24-,25-/m0/s1
SMILES: CCC1=C[N+]2=C(C=C1C3=CN4[C@H]5[C@H]([C@@H]3O)[C@H]\6C[C@H]7[C@@]5(CC[N+]7(C/C6=C/CO)C)C8=CC=CC=C84)C9=C(C=C2)C1=C(N9)C=CC=C1OC
InChI: InChI=1S/C40H41N4O3/c1-4-23-20-42-15-12-25-35-30(9-7-11-33(35)47-3)41-37(25)32(42)18-26(23)28-21-43-31-10-6-5-8-29(31)40-14-16-44(2)22-24(13-17-45)27(19-34(40)44)36(38(28)46)39(40)43/h5-13,15,18,20-21,27,34,36,38-39,45-46H,4,14,16-17,19,22H2,1-3H3/q+1/p+1/b24-13-/t27-,34-,36-,38+,39-,40+,44?/m0/s1
SMILES: C=C[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)OC(=O)CCC(=O)[O-]
InChI: InChI=1S/C23H26N2O4/c1-2-15-14-25-12-10-16(15)13-20(25)23(29-22(28)8-7-21(26)27)18-9-11-24-19-6-4-3-5-17(18)19/h2-6,9,11,15-16,20,23H,1,7-8,10,12-14H2,(H,26,27)/t15-,16+,20+,23-/m0/s1
SMILES: C1CC(=O)N(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4O)O)C5=CC=CC=C5
InChI: InChI=1S/C28H29NO4/c30-25-15-14-23-24(28(25)32)13-12-22(19-5-2-1-3-6-19)27(23)20-8-10-21(11-9-20)33-18-17-29-16-4-7-26(29)31/h1-3,5-6,8-11,14-15,22,27,30,32H,4,7,12-13,16-18H2/t22-,27+/m1/s1
SMILES: CN1[C@H]2[C@@H](N(C1=O)C)OC(O2)C3O[C@@H]4[C@H](O3)N(C(=O)N4C)C
InChI: InChI=1S/C12H18N4O6/c1-13-5-6(14(2)11(13)17)20-9(19-5)10-21-7-8(22-10)16(4)12(18)15(7)3/h5-10H,1-4H3/t5-,6+,7-,8+,9?,10?
SMILES: C[C@@]12CCCC[C@@]1([C@](CC2)(C[C@@H](CC#C)OCOC)O)O
InChI: InChI=1S/C17H28O4/c1-4-7-14(21-13-20-3)12-16(18)11-10-15(2)8-5-6-9-17(15,16)19/h1,14,18-19H,5-13H2,2-3H3/t14-,15+,16+,17-/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H]([C@@H]2O1)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)O)C
InChI: InChI=1S/C23H24O8/c1-23(2)30-18-16(25)15(24)17(28-21(26)13-9-5-3-6-10-13)19(20(18)31-23)29-22(27)14-11-7-4-8-12-14/h3-12,15-20,24-25H,1-2H3/t15-,16-,17+,18+,19+,20-/m1/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)NCC5=CC=CC=C5)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C47H49N3O4/c1-32-44(30-50(3)33(2)41-25-22-37-13-7-8-14-43(37)27-41)53-46(54-45(32)39-18-16-35(31-51)17-19-39)40-23-20-38(21-24-40)42-15-9-12-36(26-42)29-49-47(52)48-28-34-10-5-4-6-11-34/h4-27,32-33,44-46,51H,28-31H2,1-3H3,(H2,48,49,52)/t32-,33+,44+,45+,46+/m0/s1
SMILES: CC1=C(C=CC(=C1)Br)N2CC(=O)N[C@H]3[C@@H]2CS(=O)(=O)C3
InChI: InChI=1S/C13H15BrN2O3S/c1-8-4-9(14)2-3-11(8)16-5-13(17)15-10-6-20(18,19)7-12(10)16/h2-4,10,12H,5-7H2,1H3,(H,15,17)/t10-,12+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COCC4=CC=C(C=C4)Cl)OCC5=CC=C(C=C5)Cl
InChI: InChI=1S/C33H31Cl2N3O7/c1-21(39)43-19-27-30(44-18-23-9-13-26(35)14-10-23)28(20-42-17-22-7-11-25(34)12-8-22)45-32(27)38-16-15-29(37-33(38)41)36-31(40)24-5-3-2-4-6-24/h2-16,27-28,30,32H,17-20H2,1H3,(H,36,37,40,41)/t27-,28-,30+,32+/m1/s1
SMILES: C[C@]1([C@H]2[C@]1(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H15NO7/c1-19(16(22)11-6-4-3-5-7-11)15-13-10-12(21(25)26)8-9-14(13)28-18(24)20(15,19)17(23)27-2/h3-10,15H,1-2H3/t15-,19-,20+/m0/s1
SMILES: C1CCC(C1)(CC(=O)N[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)NCC(=O)N)CC(=O)O
InChI: InChI=1S/C18H27N3O7/c19-13(23)9-20-17(28)10-5-11(16(27)12(22)6-10)21-14(24)7-18(8-15(25)26)3-1-2-4-18/h5,11-12,16,22,27H,1-4,6-9H2,(H2,19,23)(H,20,28)(H,21,24)(H,25,26)/t11-,12-,16-/m1/s1
SMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m1/s1
SMILES: COC1=CC=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H17Cl2NO/c1-23-17-7-3-6-14-12-4-2-5-13(12)18(22-19(14)17)15-9-8-11(20)10-16(15)21/h2-4,6-10,12-13,18,22H,5H2,1H3/t12-,13+,18+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1[C@@](OC2(O1)CCCC2)(C(=O)OC(C)(C)C)[C@@](C=C)([C@@H]([C@H](/C=C/C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)OCC4=CC=CC=C4)O
InChI: InChI=1S/C43H62O9Si/c1-13-42(46,43(37(45)50-39(5,6)7)35(36(44)49-38(2,3)4)48-41(52-43)28-20-21-29-41)34(47-30-32-24-18-15-19-25-32)33(51-53(11,12)40(8,9)10)27-26-31-22-16-14-17-23-31/h13-19,22-27,33-35,46H,1,20-21,28-30H2,2-12H3/b27-26+/t33-,34+,35+,42+,43+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)NCCC(=O)[O-]
InChI: InChI=1S/C25H28N2O3/c1-15(2)16-6-8-17(9-7-16)24-20-5-3-4-19(20)21-14-18(10-11-22(21)27-24)25(30)26-13-12-23(28)29/h3-4,6-11,14-15,19-20,24,27H,5,12-13H2,1-2H3,(H,26,30)(H,28,29)/p-1/t19-,20+,24+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1C[C@@H]([C@@]3([C@@H]2CC[C@](O3)(C)[C@@H](CO)O)C)O)(C)C
InChI: InChI=1S/C20H36O4/c1-17(2)8-6-9-18(3)13-7-10-19(4,16(23)12-21)24-20(13,5)15(22)11-14(17)18/h13-16,21-23H,6-12H2,1-5H3/t13-,14+,15+,16-,18-,19-,20+/m1/s1
SMILES: C1[C@H]2[C@H]([C@H]3[C@@H]1[C@@](C(=C2Cl)Cl)(C(=C3Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H6Cl6/c11-5-2-1-3-4(5)7(13)9(15)10(3,16)8(14)6(2)12/h2-5H,1H2/t2-,3+,4+,5+,10+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]4([C@@]3(CCCC4)C)I)C
InChI: InChI=1S/C27H45IO/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(29)27(28)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27+/m1/s1
SMILES: C1C[C@H]2[C@H]3[C@H]([C@H]([NH+]2C1)C(=O)C4=CC=C(C=C4)F)C(=O)N(C3=O)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C22H18ClFN2O3/c23-13-3-1-4-15(11-13)26-21(28)17-16-5-2-10-25(16)19(18(17)22(26)29)20(27)12-6-8-14(24)9-7-12/h1,3-4,6-9,11,16-19H,2,5,10H2/p+1/t16-,17-,18+,19-/m0/s1
SMILES: C1C[C@@H]2[C@@H](NN=C2/C(=C/C3=CC=C(C=C3)Cl)/C1)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H18Cl2N2/c21-16-8-4-13(5-9-16)12-15-2-1-3-18-19(23-24-20(15)18)14-6-10-17(22)11-7-14/h4-12,18-19,23H,1-3H2/b15-12+/t18-,19+/m1/s1
SMILES: C[C@@]1(CCC[C@@]2(C1C[C@@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO)O)O)C)CO
InChI: InChI=1S/C20H34O4/c1-17(11-21)6-3-7-18(2)14-5-4-13-9-19(14,10-20(13,24)12-22)16(23)8-15(17)18/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15?,16+,17-,18+,19-,20+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)N1C[C@@H]2CCN([C@@H]2C1=O)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CCCCN
InChI: InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33-,35-/m0/s1
SMILES: COC(=O)N(CCOCCO)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C44H61N3O10/c1-3-24-55-44-40(47(43(51)52-2)20-25-53-27-23-50)30-38(45-56-31-32-11-5-4-6-12-32)36-28-33(13-7-9-21-48)35(14-8-10-22-49)41(42(36)44)37-29-34(15-16-39(37)57-44)54-26-19-46-17-18-46/h3-6,11-12,15-16,28-29,33,35,40-42,48-50H,1,7-10,13-14,17-27,30-31H2,2H3/t33-,35+,40-,41+,42+,44+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)C)(OC/C=C/CO2)C)C)C)(C)O
InChI: InChI=1S/C35H57NO11/c1-12-26-35(9,41)31-21(4)27(38)19(2)18-34(8,43-16-14-13-15-42-31)30(22(5)28(39)23(6)32(40)46-26)47-33-29(45-24(7)37)25(36(10)11)17-20(3)44-33/h13-14,19-23,25-26,29-31,33,41H,12,15-18H2,1-11H3/b14-13+/t19-,20-,21+,22+,23?,25+,26-,29-,30-,31-,33+,34+,35-/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(=C)C)[C@H]1CCC2[C@@]1(CC=C3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C
InChI: InChI=1S/C28H40O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,19-23,29H,1,9-11,13-14,17H2,2-6H3/b8-7+/t19-,20+,21-,22+,23?,25+,26+,27+,28-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@H](NN([C@@H]2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H21N3O3/c1-22-19(24)16-17(14-8-10-15(26-2)11-9-14)21-23(18(16)20(22)25)12-13-6-4-3-5-7-13/h3-11,16-18,21H,12H2,1-2H3/t16-,17-,18+/m1/s1
SMILES: C1=CC(=CN=C1)C2=NO[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C16H9Cl2N3O3/c17-9-4-10(18)6-11(5-9)21-15(22)12-13(8-2-1-3-19-7-8)20-24-14(12)16(21)23/h1-7,12,14H/t12-,14+/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=CC(=C2OC)[C@@H]1OC)OC)/C)C)O[Si](C)(C)C(C)(C)C)\C)C)OC)OC
InChI: InChI=1S/C37H61NO7Si/c1-23-17-16-18-24(2)36(39)38-30-22-28(40-9)21-29(35(30)44-13)33(42-11)27(5)20-31(41-10)34(43-12)26(4)19-25(3)32(23)45-46(14,15)37(6,7)8/h16-19,21-23,26-27,31-34H,20H2,1-15H3,(H,38,39)/b17-16-,24-18+,25-19+/t23-,26-,27-,31-,32+,33+,34+/m0/s1
SMILES: CC(C)(C)CC(C)(C)[NH3+].COC(=O)CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C=C)C(=O)[O-]
InChI: InChI=1S/C17H17N5O7S2.C8H19N/c1-3-7-5-30-15-11(14(25)22(15)12(7)16(26)27)20-13(24)10(8-6-31-17(18)19-8)21-29-4-9(23)28-2;1-7(2,3)6-8(4,5)9/h3,6,11,15H,1,4-5H2,2H3,(H2,18,19)(H,20,24)(H,26,27);6,9H2,1-5H3/b21-10-;/t11-,15-;/m1./s1
SMILES: CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C(=O)[O-])C
InChI: InChI=1S/C20H22N2O3S/c1-10-3-6-14(11(2)7-10)15-9-26-20(21-15)22-18(23)16-12-4-5-13(8-12)17(16)19(24)25/h3,6-7,9,12-13,16-17H,4-5,8H2,1-2H3,(H,24,25)(H,21,22,23)/p-1/t12-,13+,16+,17+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2CC(=O)[C@H]3[C@@H](N4C(=NC=N4)NC3=C2)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H26N4O2/c1-15(2)16-4-6-17(7-5-16)19-12-21-23(22(30)13-19)24(29-25(28-21)26-14-27-29)18-8-10-20(31-3)11-9-18/h4-12,14-15,19,23-24H,13H2,1-3H3,(H,26,27,28)/t19-,23+,24+/m1/s1
SMILES: CC1=C(C(=C(S1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C(=O)N)C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C24H30N2O4S/c1-13-18(14-9-11-15(12-10-14)24(2,3)4)19(20(25)27)22(31-13)26-21(28)16-7-5-6-8-17(16)23(29)30/h9-12,16-17H,5-8H2,1-4H3,(H2,25,27)(H,26,28)(H,29,30)/t16-,17+/m1/s1
SMILES: CCC[C@H](CC(=O)C[C@@H](C)[C@@H]([C@H](C[C@H]1C[C@@H]([C@@H](O1)CC=C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCOC)OC(=O)[C@@H](C)CC=C
InChI: InChI=1S/C44H66O7Si/c1-11-20-32(4)43(46)50-36(21-12-2)29-35(45)27-34(6)42(48-31-47-10)41(30-37-28-33(5)40(49-37)22-13-3)51-52(44(7,8)9,38-23-16-14-17-24-38)39-25-18-15-19-26-39/h11,13-19,23-26,32-34,36-37,40-42H,1,3,12,20-22,27-31H2,2,4-10H3/t32-,33-,34+,36+,37+,40-,41-,42-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H21ClN4O3S/c19-11-5-7-12(8-6-11)20-18(27)22-21-15(24)9-10-23-16(25)13-3-1-2-4-14(13)17(23)26/h5-8,13-14H,1-4,9-10H2,(H,21,24)(H2,20,22,27)/t13-,14+
SMILES: C1CC=C2[C@@H](C1)[C@@H](C(C(=N)[C@H]2C#N)(C#N)C#N)C3=CC=CC=C3Br
InChI: InChI=1S/C19H15BrN4/c20-16-8-4-3-7-14(16)17-13-6-2-1-5-12(13)15(9-21)18(24)19(17,10-22)11-23/h3-5,7-8,13,15,17,24H,1-2,6H2/t13-,15+,17-/m1/s1
SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6[C@@H]([C@@H](C2=N6)O)O)C7=CC=CC=C7)C8=CC=CC=C8)[C@H]([C@H]4O)O)C9=CC=CC=C9)N3
InChI: InChI=1S/C44H34N4O4/c49-41-37-33(25-13-5-1-6-14-25)29-21-22-30(45-29)34(26-15-7-2-8-16-26)39-43(51)44(52)40(48-39)36(28-19-11-4-12-20-28)32-24-23-31(46-32)35(38(47-37)42(41)50)27-17-9-3-10-18-27/h1-24,41-46,49-52H/t41-,42+,43+,44-
SMILES: C1C[C@H]2[C@H]([C@@H]([C@@H]1N2CC3=CC=CC=C3)C4=CN=C(C=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C18H18ClN3O2/c19-16-9-6-13(10-20-16)17-14-7-8-15(18(17)22(23)24)21(14)11-12-4-2-1-3-5-12/h1-6,9-10,14-15,17-18H,7-8,11H2/t14-,15+,17-,18-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](CC(O[C@H]1OC[C@@H](CO)O)C(=O)O)O
InChI: InChI=1S/C11H19NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h6-9,11,13,15-16H,2-4H2,1H3,(H,12,14)(H,17,18)/t6-,7+,8?,9-,11-/m1/s1
SMILES: CC1(O[C@H]2CN([C@@H]([C@H]2O1)C(=O)NC(C)(C)C)C(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C19H26N2O4/c1-18(2,3)20-16(22)14-15-13(24-19(4,5)25-15)11-21(14)17(23)12-9-7-6-8-10-12/h6-10,13-15H,11H2,1-5H3,(H,20,22)/t13-,14-,15-/m0/s1
SMILES: CCN(CC)C(=O)OC1=CC2=C(CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)OC)C)C=C1
InChI: InChI=1S/C23H33NO4/c1-6-24(7-2)21(26)28-17-11-9-16-10-12-19-22(3,18(16)15-17)13-8-14-23(19,4)20(25)27-5/h9,11,15,19H,6-8,10,12-14H2,1-5H3/t19-,22-,23+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)Cl
InChI: InChI=1S/C24H19ClN2O4/c1-14-7-10-17(13-19(14)25)26-23(29)20-21(15-8-11-18(28)12-9-15)27(31-22(20)24(26)30)16-5-3-2-4-6-16/h2-13,20-22,28H,1H3/t20-,21+,22+/m0/s1
SMILES: COCO[C@@H]1[C@H]([C@@H]([C@@]([C@@H]1N=[N+]=[N-])(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCOC
InChI: InChI=1S/C24H31N3O7/c1-29-16-33-20-21(34-17-30-2)23(32-14-19-11-7-4-8-12-19)24(28,22(20)26-27-25)15-31-13-18-9-5-3-6-10-18/h3-12,20-23,28H,13-17H2,1-2H3/t20-,21-,22-,23+,24+/m1/s1
SMILES: CC#CCC(C)(C)C[C@@H]1[C@@](O1)(C)CCC(C)(C(=C)F)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H41FO2Si/c1-12-13-14-21(6,7)17-19-23(9,25-19)16-15-22(8,18(2)24)26-27(10,11)20(3,4)5/h19H,2,14-17H2,1,3-11H3/t19-,22?,23-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3C=CC(=C4)[N+](=O)[O-])O)OP(=O)(O1)O
InChI: InChI=1S/C12H12N3O8P/c16-10-11-9(4-21-24(19,20)23-11)22-12(10)14-5-13-7-3-6(15(17)18)1-2-8(7)14/h1-3,5,9-12,16H,4H2,(H,19,20)/t9-,10-,11-,12-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@@H]([C@@H](O3)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C26H15ClN2O7/c27-14-10-8-13(9-11-14)21-19-20(26(36-21)22(30)17-6-1-2-7-18(17)23(26)31)25(33)28(24(19)32)15-4-3-5-16(12-15)29(34)35/h1-12,19-21H/t19-,20+,21-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C(C4=C/C(=N/N=C/5\N(C6=CC=CC=C6S5)C)/CC[C@]34C)Br)Br)C
InChI: InChI=1S/C35H49Br2N3S/c1-21(2)10-9-11-22(3)24-14-15-25-30-26(17-19-34(24,25)4)35(5)18-16-23(20-27(35)31(36)32(30)37)38-39-33-40(6)28-12-7-8-13-29(28)41-33/h7-8,12-13,20-22,24-26,30-32H,9-11,14-19H2,1-6H3/b38-23+,39-33+/t22-,24-,25+,26+,30+,31?,32?,34-,35-/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C26H20ClF3N2O4/c1-2-35-20-13-11-18(12-14-20)31-24(33)21-22(15-3-5-16(6-4-15)26(28,29)30)32(36-23(21)25(31)34)19-9-7-17(27)8-10-19/h3-14,21-23H,2H2,1H3/t21-,22-,23-/m0/s1
SMILES: CCCCNC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)OCC(C)CO)C(=O)O)C4=CC5=C(C=C4)OC(O5)(F)F
InChI: InChI=1S/C31H34F2N2O7/c1-4-5-12-34-25-11-9-21-26(18-6-10-22-24(13-18)42-31(32,33)41-22)28(30(37)38)27(29(21)35-25)20-8-7-19(39-3)14-23(20)40-16-17(2)15-36/h6-11,13-14,17,26-28,36H,4-5,12,15-16H2,1-3H3,(H,34,35)(H,37,38)/t17?,26-,27-,28+/m0/s1
SMILES: CC12[C@@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C25H18ClNO2/c1-25-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)25)21-22(25)24(29)27(23(21)28)15-12-10-14(26)11-13-15/h2-13,20-22H,1H3/t20?,21-,22+,25?/m0/s1
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=N1)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C#N)OCC
InChI: InChI=1S/C17H17N5O4/c1-3-25-17(26-4-2)16(10-19)13(15(16,9-18)14(20)21-17)11-6-5-7-12(8-11)22(23)24/h5-8,13H,3-4H2,1-2H3,(H2,20,21)/t13-,15-,16-/m1/s1
SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H](CSCC4=CC=CC=C4)C(=O)C=[N+]=[N-])NC(=O)N2
InChI: InChI=1S/C30H36N6O4S2/c31-32-16-25(37)23(18-41-17-21-11-5-2-6-12-21)34-29(39)22(15-20-9-3-1-4-10-20)33-27(38)14-8-7-13-26-28-24(19-42-26)35-30(40)36-28/h1-6,9-12,16,22-24,26,28H,7-8,13-15,17-19H2,(H,33,38)(H,34,39)(H2,35,36,40)/t22-,23-,24+,26+,28+/m1/s1
SMILES: C[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C21H24N4O5/c1-14(24-20(27)17-4-2-3-5-18(17)21(24)28)19(26)23-12-10-22(11-13-23)15-6-8-16(9-7-15)25(29)30/h2-3,6-9,14,17-18H,4-5,10-13H2,1H3/t14-,17+,18+/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4[C@@]3(CCC(=O)C4)C)O)C)O
InChI: InChI=1S/C23H34O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-18,20,26,28H,4-12H2,1-3H3/t14?,16-,17-,18-,20+,21-,22-,23-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)ON)CO)O)O)O)O
InChI: InChI=1S/C12H23NO11/c13-24-12-9(20)7(18)10(4(2-15)22-12)23-11-8(19)6(17)5(16)3(1-14)21-11/h3-12,14-20H,1-2,13H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
SMILES: CCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=NC#N)CCC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
InChI: InChI=1S/C26H34N4O2/c1-3-15-29-22(17-20-11-7-5-8-12-20)24(31)25(32)23(18-21-13-9-6-10-14-21)30(16-4-2)26(29)28-19-27/h5-14,22-25,31-32H,3-4,15-18H2,1-2H3/t22-,23-,24+,25+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)/C=C/2\CCC[C@H]3C2=NN([C@@H]3C4=CC=C(C=C4)N(C)C)C(=O)C5=CC=CO5
InChI: InChI=1S/C29H32N4O2/c1-31(2)23-14-10-20(11-15-23)19-22-7-5-8-25-27(22)30-33(29(34)26-9-6-18-35-26)28(25)21-12-16-24(17-13-21)32(3)4/h6,9-19,25,28H,5,7-8H2,1-4H3/b22-19+/t25-,28+/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NC2=NC=CS2)CC3=CNC4=CC=CC=C43
InChI: InChI=1S/C21H26N4OS/c1-2-15-13-25(14-17-12-23-19-6-4-3-5-18(17)19)9-7-16(15)11-20(26)24-21-22-8-10-27-21/h3-6,8,10,12,15-16,23H,2,7,9,11,13-14H2,1H3,(H,22,24,26)/t15-,16-/m0/s1
SMILES: CN1C[C@H]2[C@H]3[C@@H]4CC[C@H]([C@H]3[C@@H]1C5=CC=CC=C25)C=C4
InChI: InChI=1S/C18H21N/c1-19-10-15-13-4-2-3-5-14(13)18(19)17-12-8-6-11(7-9-12)16(15)17/h2-6,8,11-12,15-18H,7,9-10H2,1H3/t11-,12+,15+,16+,17+,18-/m0/s1
SMILES: C[C@H]1[C@@H]([NH+]([C@@H](C[C@@]1(C2=CC=C(C=C2)F)O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI: InChI=1S/C25H26FNO/c1-18-24(20-11-7-4-8-12-20)27(2)23(19-9-5-3-6-10-19)17-25(18,28)21-13-15-22(26)16-14-21/h3-16,18,23-24,28H,17H2,1-2H3/p+1/t18-,23-,24+,25+/m0/s1
SMILES: CCCNC(=O)O[C@@H]1CC[C@@]2([C@@H]([C@]1(C)CO)CC[C@H]([C@H]2CC(=O)N3CCCC3)O)C
InChI: InChI=1S/C23H40N2O5/c1-4-11-24-21(29)30-19-9-10-22(2)16(14-20(28)25-12-5-6-13-25)17(27)7-8-18(22)23(19,3)15-26/h16-19,26-27H,4-15H2,1-3H3,(H,24,29)/t16-,17-,18+,19-,22+,23+/m1/s1
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC1C([C@@]([C@@H](O1)N2C=NC3=C2N=CN=C3N(C)N)(C)O)O)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C23H31ClN7O8P/c1-12(2)36-20(33)13(3)29-40(35,38-15-8-6-14(24)7-9-15)39-21-17(32)23(4,34)22(37-21)31-11-28-16-18(30(5)25)26-10-27-19(16)31/h6-13,17,21-22,32,34H,25H2,1-5H3,(H,29,35)/t13-,17?,21?,22+,23+,40?/m0/s1
SMILES: CC1=C([C@H]2C=CC=C[C@@H]2[NH2+]1)/C=N\NC3=NC(=NC(=N3)N4CCCC4)N5CCCC5
InChI: InChI=1S/C21H28N8/c1-15-17(16-8-2-3-9-18(16)23-15)14-22-27-19-24-20(28-10-4-5-11-28)26-21(25-19)29-12-6-7-13-29/h2-3,8-9,14,16,18,23H,4-7,10-13H2,1H3,(H,24,25,26,27)/p+1/b22-14-/t16-,18+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)F)C3=CSC=C3)CCCO
InChI: InChI=1S/C22H26FNO4S/c1-2-27-22-18(4-3-10-25)19(16-9-11-29-14-16)12-20(28-22)21(26)24-13-15-5-7-17(23)8-6-15/h5-9,11-12,14,18-19,22,25H,2-4,10,13H2,1H3,(H,24,26)/t18-,19-,22-/m0/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C5=C(C=CC(=C5)OC(F)(F)F)O)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C34H26F3N3O6/c1-38-31(44)39-15-14-22-26(40(39)32(38)45)18-25-30(43)23(19-8-4-2-5-9-19)17-28(42)33(25,20-10-6-3-7-11-20)29(22)24-16-21(12-13-27(24)41)46-34(35,36)37/h2-14,16-17,25-26,29,41H,15,18H2,1H3/t25-,26+,29+,33-/m0/s1
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)OC)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C30H54O4Si/c1-9-10-13-22(2)18-25(31)16-17-26-27-20-23(14-11-12-15-29(32)33-6)19-24(27)21-28(26)34-35(7,8)30(3,4)5/h16-17,19,22,24-28,31H,9-15,18,20-21H2,1-8H3/b17-16+/t22-,24-,25+,26+,27-,28+/m0/s1
SMILES: C1CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H28O10/c23-9-15-17(25)18(26)19(27)22(31-15)32-21-16-12(8-14(24)13(16)6-7-29-21)10-30-20(28)11-4-2-1-3-5-11/h1-5,8,13-19,21-27H,6-7,9-10H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1
SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O
InChI: InChI=1S/C36H60O10/c1-30(2)22(39)8-11-36-17-35(36)13-12-32(5)27(34(7)10-9-23(46-34)31(3,4)43)18(38)15-33(32,6)21(35)14-19(28(30)36)44-29-26(42)25(41)24(40)20(16-37)45-29/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28-,29+,32+,33-,34+,35-,36+/m0/s1
SMILES: C1CCN2[C@H](C1)[C@H]3CCCCN3C2C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H23N3O2/c21-20(22)14-9-7-13(8-10-14)17-18-11-3-1-5-15(18)16-6-2-4-12-19(16)17/h7-10,15-17H,1-6,11-12H2/t15-,16-/m1/s1
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCCCC)C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C30H57NO6/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26(33)31(23-21-8-6-4-2)30-29(36)28(35)27(34)25(24-32)37-30/h13-14,25,27-30,32,34-36H,3-12,15-24H2,1-2H3/b14-13-/t25-,27-,28+,29-,30?/m1/s1
SMILES: CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@]([C@@H]2C[C@H](C=C3C2([C@H]1O)[C@@H](O[C@@H]3OCC)OC(=O)C)O)(C)C/C=C(/C)\C=C)C
InChI: InChI=1S/C34H54O8/c1-8-11-12-13-14-15-16-17-28(37)41-29-23(5)33(7,19-18-22(4)9-2)27-21-25(36)20-26-31(39-10-3)42-32(40-24(6)35)34(26,27)30(29)38/h9,18,20,23,25,27,29-32,36,38H,2,8,10-17,19,21H2,1,3-7H3/b22-18-/t23-,25+,27+,29-,30+,31+,32-,33-,34?/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C
InChI: InChI=1S/C23H25N3O3S/c1-13-10-14(2)20(15(3)11-13)18-12-30-23(24-18)25-19(27)8-9-26-21(28)16-6-4-5-7-17(16)22(26)29/h4-5,10-12,16-17H,6-9H2,1-3H3,(H,24,25,27)/t16-,17-/m1/s1
SMILES: CC(=CCC(CC1=C2C(=C(C=C1O)O)C(=O)[C@@H]([C@H](O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C
InChI: InChI=1S/C25H28O7/c1-12(2)5-6-14(13(3)4)9-17-19(28)11-20(29)21-22(30)23(31)25(32-24(17)21)16-8-7-15(26)10-18(16)27/h5,7-8,10-11,14,23,25-29,31H,3,6,9H2,1-2,4H3/t14?,23-,25+/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=CC(=C5O)CC=C)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C36H29Cl2F3N4O5/c1-3-5-17-6-4-7-23(29(17)46)28-21-12-13-22-27(33(49)44(2)31(22)47)24(21)15-25-32(48)45(34(50)35(25,28)18-8-10-20(37)11-9-18)43-30-26(38)14-19(16-42-30)36(39,40)41/h3-4,6-12,14,16,22,24-25,27-28,46H,1,5,13,15H2,2H3,(H,42,43)/t22-,24+,25-,27-,28+,35+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CC2=CC=CC3=CC=CC=C32)C[C@@]4(CC[C@@H]5[C@@]4(CC[C@H]6[C@]57C=C[C@@]8([C@@]6(CCC(C8)O)C)C=C7C(=O)C9=CC=C(C=C9)C1=CC=CC=C1)C)O)C(C)C
InChI: InChI=1S/C57H67NO5/c1-37(2)45-23-18-38(3)32-48(45)63-52(61)58(35-43-16-11-15-41-14-9-10-17-46(41)43)36-56(62)29-26-50-54(56,5)28-25-49-53(4)27-24-44(59)33-55(53)30-31-57(49,50)47(34-55)51(60)42-21-19-40(20-22-42)39-12-7-6-8-13-39/h6-17,19-22,30-31,34,37-38,44-45,48-50,59,62H,18,23-29,32-33,35-36H2,1-5H3/t38-,44?,45+,48-,49+,50+,53+,54-,55-,56+,57+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=CC=C7)O)C(=O)N(C5=O)C8=CC=C(C=C8)NC9=CC=CC=C9
InChI: InChI=1S/C45H38N4O5/c1-27-15-17-32(18-16-27)47-49-42(52)38-26-37-35(40(28-9-8-14-34(50)25-28)45(38,44(49)54)29-10-4-2-5-11-29)23-24-36-39(37)43(53)48(41(36)51)33-21-19-31(20-22-33)46-30-12-6-3-7-13-30/h2-23,25,36-40,46-47,50H,24,26H2,1H3/t36-,37+,38-,39-,40-,45+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCSC
InChI: InChI=1S/C20H24ClN3O3S/c1-3-4-9-24-17(25)14-13(8-10-28-2)23-20(15(14)18(24)26)11-6-5-7-12(21)16(11)22-19(20)27/h5-7,13-15,23H,3-4,8-10H2,1-2H3,(H,22,27)/p+1/t13-,14+,15-,20-/m0/s1
SMILES: C=CCCC(=O)NC1=C(C=CC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)O)O)O)O)Cl
InChI: InChI=1S/C31H38ClNO12/c1-2-3-9-22(35)33-19-12-16(10-11-18(19)32)14-40-30-25(38)23(36)27(20(13-34)42-30)45-31-26(39)24(37)28-21(43-31)15-41-29(44-28)17-7-5-4-6-8-17/h2,4-8,10-12,20-21,23-31,34,36-39H,1,3,9,13-15H2,(H,33,35)/t20-,21-,23-,24-,25-,26-,27-,28-,29?,30-,31-/m1/s1