EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CCOCCO)C(=O)CCC5CCCC5)OCC=C
InChI: InChI=1S/C46H71N3O10/c1-6-26-56-46-40(49(22-27-55-28-25-52)41(53)21-18-32-14-8-9-15-32)31-38(48-59-45(3,4)5)36-29-33(16-10-12-23-50)35(17-11-13-24-51)42(43(36)46)37-30-34(19-20-39(37)58-46)57-44(54)47-7-2/h6,19-20,29-30,32-33,35,40,42-43,50-52H,1,7-18,21-28,31H2,2-5H3,(H,47,54)/t33-,35+,40-,42+,43+,46+/m0/s1
SMILES: CCCCCCCCCC1C(O[C@@]2(C1=C)C[C@@H]([C@@](O2)(CC(=O)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(=O)C
InChI: InChI=1S/C31H50O10/c1-10-11-12-13-14-15-16-17-22-20(2)31(39-26(22)37-21(3)32)18-23(25(35)38-28(4,5)6)30(41-31,19-24(33)34)27(36)40-29(7,8)9/h22-23,26H,2,10-19H2,1,3-9H3,(H,33,34)/t22?,23-,26?,30+,31+/m1/s1
SMILES: CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O
InChI: InChI=1S/C19H25N3O5/c1-2-5-16(23)20-13-10-8-12(9-11-13)17(24)21-22-18(25)14-6-3-4-7-15(14)19(26)27/h8-11,14-15H,2-7H2,1H3,(H,20,23)(H,21,24)(H,22,25)(H,26,27)/t14-,15-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CN=[N+]=[N-])O
InChI: InChI=1S/C10H12N8O2/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(19)6(20-7)2-16-17-12/h3-7,19H,1-2H2,(H2,11,13,14)/t5-,6+,7+/m0/s1
SMILES: C1C[C@@H]2[C@H](C1)N(C2=O)C(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C21H21N3O4/c25-20(22-13-14-5-2-1-3-6-14)19(15-9-11-16(12-10-15)24(27)28)23-18-8-4-7-17(18)21(23)26/h1-3,5-6,9-12,17-19H,4,7-8,13H2,(H,22,25)/t17-,18+,19?/m1/s1
SMILES: C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC=CC=C4OC)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C28H35NO6/c1-16-15-20-25(26(30)22(16)27(31)34-4)24(19-13-9-10-14-21(19)33-3)23(17(2)29-20)28(32)35-18-11-7-5-6-8-12-18/h9-10,13-14,16,18,22,24,29H,5-8,11-12,15H2,1-4H3/t16-,22+,24+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N([C@@H]2C3=CC=CS3)C4=CC=C(C=C4)C
InChI: InChI=1S/C23H22N2O2S/c1-15-5-9-17(10-6-15)24-23(27)19-14-21(26)25(18-11-7-16(2)8-12-18)22(19)20-4-3-13-28-20/h3-13,19,22H,14H2,1-2H3,(H,24,27)/t19-,22+/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)[C@@H]([C@@H](O1)O[C@@H]2C[C@]3([C@@H]4CC=C5[C@H]([C@@]4(C(=O)C[C@@]3([C@H]2[C@](C)(C(=O)/C=C/C(C)(C)O)O)C)C)C[C@@H](C(=O)C5(C)C)O)C)OC(=O)C)O
InChI: InChI=1S/C38H54O12/c1-18-27(43)28(44)29(49-19(2)39)32(48-18)50-23-16-35(7)24-12-11-20-21(15-22(40)31(45)34(20,5)6)37(24,9)26(42)17-36(35,8)30(23)38(10,47)25(41)13-14-33(3,4)46/h11,13-14,18,21-24,27,29-30,32,40,43,46-47H,12,15-17H2,1-10H3/b14-13+/t18-,21+,22-,23+,24-,27-,29-,30-,32-,35-,36+,37-,38-/m0/s1
SMILES: CCCC[C@@H]1C(=O)O[C@@H]2C(=N1)[C@H]3CC[C@@]2(C3(C)C)C
InChI: InChI=1S/C16H25NO2/c1-5-6-7-11-14(18)19-13-12(17-11)10-8-9-16(13,4)15(10,2)3/h10-11,13H,5-9H2,1-4H3/t10-,11-,13-,16+/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C(=CC5=O)C)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)O
InChI: InChI=1S/C36H30N2O5/c1-19-7-6-10-25(33(19)40)30-24-15-16-26-31(27(24)18-28-29(39)17-20(2)34(41)32(28)30)36(43)38(35(26)42)23-13-11-22(12-14-23)37-21-8-4-3-5-9-21/h3-15,17,26-27,30-31,37,40H,16,18H2,1-2H3/t26-,27+,30+,31-/m0/s1
SMILES: COC1=C(C=C(C=C1)CCOC2[C@@H](C([C@@H]([C@H](O2)C(=O)O)O)O)O)O
InChI: InChI=1S/C15H20O9/c1-22-9-3-2-7(6-8(9)16)4-5-23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-3,6,10-13,15-19H,4-5H2,1H3,(H,20,21)/t10?,11-,12+,13-,15?/m0/s1
SMILES: C[C@@]1(CSC2=C([C@H]1CCCCCCCCC(CCCCCCC(C(F)(F)F)(F)F)C(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C34H45F5O4S/c1-32(25-15-17-26(40)18-16-25)23-44-30-22-27(41)19-20-28(30)29(32)14-10-5-3-2-4-8-12-24(31(42)43)13-9-6-7-11-21-33(35,36)34(37,38)39/h15-20,22,24,29,40-41H,2-14,21,23H2,1H3,(H,42,43)/t24?,29-,32-/m1/s1
SMILES: CCCCCCCCCS(=O)(=O)C[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O
InChI: InChI=1S/C15H30O6S/c1-2-3-4-5-6-7-8-9-22(19,20)11-13-15(18)14(17)12(10-16)21-13/h12-18H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
SMILES: CCC(=O)O[C@@H]1[C@H](O[C@@H]2CC(O[C@@H]2[C@H]1OCC3=CC=CC=C3)CNC(=O)C(C)C)CO
InChI: InChI=1S/C23H33NO7/c1-4-19(26)31-21-18(12-25)30-17-10-16(11-24-23(27)14(2)3)29-20(17)22(21)28-13-15-8-6-5-7-9-15/h5-9,14,16-18,20-22,25H,4,10-13H2,1-3H3,(H,24,27)/t16?,17-,18-,20+,21-,22-/m1/s1
SMILES: CC(=O)C1=C([C@@]2([C@@H]([C@H]([C@H]3C(C2O)C(=O)C4=C([C@@]3(C)O)C=CC=C4O)O)[C@@H](C1=O)N(C)C)O)O
InChI: InChI=1S/C23H27NO9/c1-8(25)11-18(28)16(24(3)4)15-19(29)14-13(21(31)23(15,33)20(11)30)17(27)12-9(22(14,2)32)6-5-7-10(12)26/h5-7,13-16,19,21,26,29-33H,1-4H3/t13?,14-,15-,16+,19+,21?,22-,23-/m1/s1
SMILES: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChI: InChI=1S/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17?,18-,19?/m1/s1
SMILES: CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NCC3=CC=CC=N3
InChI: InChI=1S/C15H21N3O4/c1-2-16-15(19)22-12-9-21-13-11(8-20-14(12)13)18-7-10-5-3-4-6-17-10/h3-6,11-14,18H,2,7-9H2,1H3,(H,16,19)/t11-,12+,13+,14+/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@H]1CC[C@@]3([C@@]2(CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)O)C)[C@H]6CO6
InChI: InChI=1S/C29H48O2/c1-24(2)12-7-13-25(3)22(24)10-15-27(5)23(25)11-17-29(30)26(4)14-8-19(21-18-31-21)20(26)9-16-28(27,29)6/h19-23,30H,7-18H2,1-6H3/t19-,20-,21+,22-,23+,25-,26-,27+,28-,29-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@H]3[C@@]2(C(=C([C@@H]3OC)OC(=O)C(C)(C)C)C(=O)OC)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C25H42O9Si/c1-22(2,3)21(27)31-15-14(19(26)29-10)25(13-30-35(11,12)23(4,5)6)17(16(15)28-9)32-20-18(25)33-24(7,8)34-20/h16-18,20H,13H2,1-12H3/t16-,17+,18-,20+,25-/m0/s1
SMILES: C1=CC=C(C=C1)NC(=O)C2=CN(N=N2)C[C@@H]3[C@H]([C@@H]([C@H](N3)CO)O)O
InChI: InChI=1S/C15H19N5O4/c21-8-12-14(23)13(22)10(17-12)6-20-7-11(18-19-20)15(24)16-9-4-2-1-3-5-9/h1-5,7,10,12-14,17,21-23H,6,8H2,(H,16,24)/t10-,12-,13-,14-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H](C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3?,4-,5+,8?,9?/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CCCOC)C(=O)CC6=CC(=C(C=C6)OC)OC)O)C(=C5)C(=O)CC7=C(C=CC=C7Cl)F)O)C
InChI: InChI=1S/C44H55ClFNO7/c1-40-15-12-29(48)25-42(40)18-19-44(31(26-42)34(49)24-30-32(45)8-6-9-33(30)46)37(40)13-16-41(2)38(44)14-17-43(41,51)27-47(20-7-21-52-3)39(50)23-28-10-11-35(53-4)36(22-28)54-5/h6,8-11,18-19,22,26,29,37-38,48,51H,7,12-17,20-21,23-25,27H2,1-5H3/t29?,37-,38-,40-,41+,42+,43-,44-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3[C@@H](CCC[C@H]3C)C
InChI: InChI=1S/C18H29N3O3/c1-12-7-4-5-10-18(12)16(23)20(17(24)19-18)11-15(22)21-13(2)8-6-9-14(21)3/h12-14H,4-11H2,1-3H3,(H,19,24)/t12-,13+,14+,18+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1NC2=NC=NC(=C2[N+](=O)[O-])N)CO)O
InChI: InChI=1S/C9H13N5O5/c10-8-7(14(17)18)9(12-3-11-8)13-6-1-4(16)5(2-15)19-6/h3-6,15-16H,1-2H2,(H3,10,11,12,13)/t4-,5+,6+/m0/s1
SMILES: CSC(=O)OCC1=C[C@H]2C3C1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)C5=CO[C@H]([C@H]6[C@@H]5[C@H](C=C6CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
InChI: InChI=1S/C34H42O21S/c1-56-34(46)49-7-11-3-15-21-13(28(44)50-15)9-48-31(19(11)21)55-33-26(43)27(23(40)17(6-37)52-33)53-29(45)12-8-47-30(18-10(4-35)2-14(38)20(12)18)54-32-25(42)24(41)22(39)16(5-36)51-32/h2-3,8-9,14-27,30-33,35-43H,4-7H2,1H3/t14-,15-,16+,17+,18+,19?,20-,21?,22+,23+,24-,25+,26+,27-,30-,31-,32-,33-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)C#C[C@@H]([C@H]5COC(N5C(=O)OC(C)(C)C)(C)C)O
InChI: InChI=1S/C42H52N2O9/c1-29(45)43-37-35(23-22-34(46)33-27-51-42(5,6)44(33)40(47)53-41(2,3)4)52-36(28-48-24-30-16-10-7-11-17-30)38(49-25-31-18-12-8-13-19-31)39(37)50-26-32-20-14-9-15-21-32/h7-21,33-39,46H,24-28H2,1-6H3,(H,43,45)/t33-,34+,35+,36-,37-,38-,39-/m1/s1
SMILES: C[C@@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4O)C)O
InChI: InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15+,16-,17-,18+,19+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC=C2C1)CC(=C)C4=O)C)C
InChI: InChI=1S/C22H30O3/c1-13-11-19-17-6-5-15-12-16(25-14(2)23)7-9-21(15,3)18(17)8-10-22(19,4)20(13)24/h5,16-19H,1,6-12H2,2-4H3/t16-,17+,18+,19+,21+,22+/m0/s1
SMILES: C1[C@H]2[C@@]1([C@H]([C@H]([C@@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=C(C=C5)I)O)O)CO
InChI: InChI=1S/C19H20IN5O3/c20-11-3-1-10(2-4-11)6-21-17-13-18(23-8-22-17)25(9-24-13)14-12-5-19(12,7-26)16(28)15(14)27/h1-4,8-9,12,14-16,26-28H,5-7H2,(H,21,22,23)/t12-,14-,15+,16+,19+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@H]4[C@@]3(CCC(=O)C4)C)O)C
InChI: InChI=1S/C21H32O4/c1-12(22)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h14-19,24H,4-11H2,1-3H3/t14-,15+,16-,17+,18+,19-,20+,21-/m0/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H]3CCC[NH+]3[C@@]4([C@@H]2C1=O)C5=C(C(=CC=C5)Cl)NC4=O
InChI: InChI=1S/C20H22ClN3O3/c1-3-10(2)24-17(25)14-13-8-5-9-23(13)20(15(14)18(24)26)11-6-4-7-12(21)16(11)22-19(20)27/h4,6-7,10,13-15H,3,5,8-9H2,1-2H3,(H,22,27)/p+1/t10-,13+,14+,15-,20+/m0/s1
SMILES: C1[C@H]2C=C[C@@]([C@@H]1P(C3=CC=CC=C3)C4=CC=CC=C4)(O2)P(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H26OP2/c1-5-13-25(14-6-1)32(26-15-7-2-8-16-26)29-23-24-21-22-30(29,31-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-22,24,29H,23H2/t24-,29-,30-/m1/s1
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(CS[C@H]5N4C(=O)[C@H]5NC(=O)CC6=CC=CC=C6)C)F)C(=O)O
InChI: InChI=1S/C32H32FN5O6S/c1-3-35-16-21(32(43)44)28(40)20-14-22(33)24(15-23(20)35)36-9-11-37(12-10-36)30(42)27-18(2)17-45-31-26(29(41)38(27)31)34-25(39)13-19-7-5-4-6-8-19/h4-8,14-16,26,31H,3,9-13,17H2,1-2H3,(H,34,39)(H,43,44)/t26-,31-/m1/s1
SMILES: CC(C)NC(=O)C1=C([C@H]2[C@@]34CCN([C@@H]([C@@]3(C1)O)CC5=C4C(=C(C=C5)O)O2)CC6CC6)C(=O)NC7CCCCC7
InChI: InChI=1S/C31H41N3O5/c1-17(2)32-28(36)21-15-31(38)23-14-19-10-11-22(35)26-25(19)30(31,12-13-34(23)16-18-8-9-18)27(39-26)24(21)29(37)33-20-6-4-3-5-7-20/h10-11,17-18,20,23,27,35,38H,3-9,12-16H2,1-2H3,(H,32,36)(H,33,37)/t23-,27+,30+,31-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCCBr)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H23BrO10/c1-8(18)23-7-12-13(24-9(2)19)14(25-10(3)20)15(26-11(4)21)16(27-12)22-6-5-17/h12-16H,5-7H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1
SMILES: CCCCCCCCCCCC(=O)O[C@H]1CN(C(C(=O)N(C1C(=O)OC)C)[C@H](C2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)OC4[C@@H]([C@@H]([C@H](O4)CN)O)O)C
InChI: InChI=1S/C35H57N5O14/c1-5-6-7-8-9-10-11-12-13-14-22(42)51-20-18-38(2)24(31(47)39(3)23(20)33(48)50-4)29(54-34-28(46)25(43)19(17-36)52-34)30-26(44)27(45)32(53-30)40-16-15-21(41)37-35(40)49/h15-16,19-20,23-30,32,34,43-46H,5-14,17-18,36H2,1-4H3,(H,37,41,49)/t19-,20+,23?,24?,25-,26+,27-,28-,29-,30?,32?,34?/m1/s1
SMILES: C[C@]12CC/C(=N\N)/C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C
InChI: InChI=1S/C23H34N2O3/c1-21-8-5-16(25-24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)27)14-11-20(26)28-13-14/h11,15,17-19,27H,3-10,12-13,24H2,1-2H3/b25-16+/t15-,17-,18+,19-,21+,22-,23+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=CC=C6OC)O)C(=O)N(C5=O)C(=O)N)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C35H30Cl2N4O8/c1-48-18-9-6-16(7-10-18)35-22(31(44)41(33(35)46)39-24-13-8-17(36)14-23(24)37)15-21-19(29(35)28-25(42)4-3-5-26(28)49-2)11-12-20-27(21)32(45)40(30(20)43)34(38)47/h3-11,13-14,20-22,27,29,39,42H,12,15H2,1-2H3,(H2,38,47)/t20-,21+,22-,27-,29+,35+/m0/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@@]24CN(C(=O)O4)CCC(=O)NS(=O)(=O)C5=CC=CC=C5)N(N=C3)C6=CC=C(C=C6)F
InChI: InChI=1S/C29H29FN4O5S/c1-28-17-20-18-31-34(23-11-9-22(30)10-12-23)25(20)16-21(28)6-5-14-29(28)19-33(27(36)39-29)15-13-26(35)32-40(37,38)24-7-3-2-4-8-24/h2-4,7-12,16,18H,5-6,13-15,17,19H2,1H3,(H,32,35)/t28-,29+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CNCCNC[C@@]4(CCC[C@]5([C@H]4CCC6=C5C=CC(=C6)C(C)C)C)C)C.O.Cl.Cl
InChI: InChI=1S/C42H64N2.2ClH.H2O/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;;;/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*1H;1H2/t37-,38-,39-,40-,41+,42+;;;/m0.../s1
SMILES: COC(=O)[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)N=[N+]=[N-])C3=C2C=CC(=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H12N4O5/c1-23-14(20)12-9-5-10(11(12)13(19)16-17-15)8-4-6(18(21)22)2-3-7(8)9/h2-4,9-12H,5H2,1H3/t9-,10+,11-,12+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCO[C@H]3C[C@@H](O[C@@H]3COCO[C@H]4C[C@@H](O[C@@H]4CO)N5C=C(C(=O)NC5=O)C)N6C=C(C(=O)NC6=O)C)O
InChI: InChI=1S/C32H42N6O15/c1-15-7-36(30(44)33-27(15)41)24-4-18(40)22(52-24)11-47-13-50-20-6-26(38-9-17(3)29(43)35-32(38)46)53-23(20)12-48-14-49-19-5-25(51-21(19)10-39)37-8-16(2)28(42)34-31(37)45/h7-9,18-26,39-40H,4-6,10-14H2,1-3H3,(H,33,41,44)(H,34,42,45)(H,35,43,46)/t18-,19-,20-,21+,22+,23+,24+,25+,26+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@H](C3=O)C5C=CC4[C@@H]6[C@@H]5C(=O)N(C6=O)C7=CC=CC(=C7)C(=O)C8=CC=CC=C8
InChI: InChI=1S/C38H26N2O6/c41-33(21-9-3-1-4-10-21)23-13-7-15-25(19-23)39-35(43)29-27-17-18-28(30(29)36(39)44)32-31(27)37(45)40(38(32)46)26-16-8-14-24(20-26)34(42)22-11-5-2-6-12-22/h1-20,27-32H/t27?,28?,29-,30-,31-,32-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+](CC2=CC=CC=C2F)C3CC3
InChI: InChI=1S/C19H27FN2O/c1-14-6-2-5-9-18(14)21-19(23)13-22(16-10-11-16)12-15-7-3-4-8-17(15)20/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3,(H,21,23)/p+1/t14-,18-/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)C2[C@@H]3[C@H]2CC/C=C\CC/C=C\CC3
InChI: InChI=1S/C21H27NO2/c1-24-17-12-10-11-16(15-17)22-21(23)20-18-13-8-6-4-2-3-5-7-9-14-19(18)20/h4-7,10-12,15,18-20H,2-3,8-9,13-14H2,1H3,(H,22,23)/b6-4-,7-5-/t18-,19+,20?
SMILES: C1=CC(=C(C=C1O)Cl)[C@@H]2[C@@H](N=C(N2)CCO)C3=C(C=C(C=C3)O)Cl
InChI: InChI=1S/C17H16Cl2N2O3/c18-13-7-9(23)1-3-11(13)16-17(21-15(20-16)5-6-22)12-4-2-10(24)8-14(12)19/h1-4,7-8,16-17,22-24H,5-6H2,(H,20,21)/t16-,17+
SMILES: C[C@H]1[C@@H]2[C@H]3[C@@H](CC[C@]2(C=CC1=O)C)[C@](C(=O)O3)(C)O
InChI: InChI=1S/C15H20O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12-,14+,15+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2[C@H](O2)CC=C1C(=O)OC
InChI: InChI=1S/C14H24O4Si/c1-14(2,3)19(5,6)18-11-9(13(15)16-4)7-8-10-12(11)17-10/h7,10-12H,8H2,1-6H3/t10-,11-,12-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](C3)(OO4)C)CC=C)C
InChI: InChI=1S/C19H30O3/c1-5-6-16-13(3)15-8-7-12(2)14-9-10-18(4)11-17(20-16)19(14,15)22-21-18/h5,12-17H,1,6-11H2,2-4H3/t12-,13-,14+,15+,16-,17-,18+,19-/m1/s1
SMILES: CN1C[C@H]2[C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5
InChI: InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17?,18+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@H]1CCC24OCCO4)CCC5=CC(=O)C=C[C@]35C
InChI: InChI=1S/C21H28O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h5,8,13,16-18H,3-4,6-7,9-12H2,1-2H3/t16-,17-,18-,19+,20+/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(=O)OC2=CC=C(C=C2)Cl)N3C=NC4=C(N=CN=C43)N
InChI: InChI=1S/C26H33ClN7O6P/c1-16(2)34(17(3)4)41(37-11-5-10-28)40-20-12-22(33-15-32-23-24(29)30-14-31-25(23)33)39-21(20)13-36-26(35)38-19-8-6-18(27)7-9-19/h6-9,14-17,20-22H,5,11-13H2,1-4H3,(H2,29,30,31)/t20-,21+,22+,41?/m0/s1
SMILES: CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CC[N@@+]5([C@@]2(CCC5)C=C1OC)[O-])OCO4)O)O
InChI: InChI=1S/C29H39NO10/c1-27(2,33)8-5-10-29(34,16-23(31)37-4)26(32)40-25-22(36-3)15-28-9-6-11-30(28,35)12-7-18-13-20-21(39-17-38-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-,30+/m1/s1
SMILES: COC(=O)/C=C(\C(=O)OC)/N1[C@H]([C@H]1C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H19NO4/c1-24-17(22)13-16(20(23)25-2)21-18(14-9-5-3-6-10-14)19(21)15-11-7-4-8-12-15/h3-13,18-19H,1-2H3/b16-13+/t18-,19+,21?
SMILES: CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=C(C=C3)Cl)(CCSC)C(=O)OCC
InChI: InChI=1S/C20H25ClN2O4S/c1-4-23-17(24)14-15(18(23)25)20(10-11-28-3,19(26)27-5-2)22-16(14)12-6-8-13(21)9-7-12/h6-9,14-16,22H,4-5,10-11H2,1-3H3/p+1/t14-,15-,16+,20+/m0/s1
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O
InChI: InChI=1S/C27H50O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)36-18-21(28)19-37-27-26(32)25(31)24(30)22(38-27)20-39(33,34)35/h9-10,21-22,24-28,30-32H,2-8,11-20H2,1H3,(H,33,34,35)/b10-9+/t21?,22-,24-,25+,26-,27+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H20N2O3/c1-19(2)13-7-5-12(6-8-13)18-16(20)14-10-3-4-11(9-10)15(14)17(21)22/h3-8,10-11,14-15H,9H2,1-2H3,(H,18,20)(H,21,22)/t10-,11+,14-,15+/m1/s1
SMILES: CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H](O2)CNC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C47H99NO9Si4/c1-25-26-27-28-29-30-31-50-40-39(57-61(23,24)47(14,15)16)37(55-59(19,20)45(8,9)10)35(53-40)33-51-41-38(56-60(21,22)46(11,12)13)36(54-58(17,18)44(5,6)7)34(52-41)32-48-42(49)43(2,3)4/h34-41H,25-33H2,1-24H3,(H,48,49)/t34-,35-,36-,37-,38+,39+,40+,41+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C)O)O
InChI: InChI=1S/C23H22O12/c1-8-17(29)19(31)22(33-9(2)24)23(32-8)35-21-18(30)16-14(28)6-11(25)7-15(16)34-20(21)10-3-4-12(26)13(27)5-10/h3-8,17,19,22-23,25-29,31H,1-2H3/t8-,17-,19+,22+,23+/m0/s1
SMILES: C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)(/C(=C/C3=CSC(=N3)C)/C)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C33H44N2O7S/c1-19-11-10-14-25-26(41-25)17-33(20(2)15-24-18-43-22(4)34-24,31(40)35-23-12-8-7-9-13-23)42-28(37)16-27(36)32(5,6)30(39)21(3)29(19)38/h7-9,12-13,15,18-19,21,25-27,29,36,38H,10-11,14,16-17H2,1-6H3,(H,35,40)/b20-15+/t19-,21+,25+,26-,27-,29-,33-/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@H](C[C@H](O6)OCCN(CCO)S(=O)(=O)C7=CC=C(C=C7)OC)C8=COC9=CC=CC=C98)OC)OC)OC)OC
InChI: InChI=1S/C54H65N3O12S/c1-7-34-32-55-18-16-35-26-48(63-3)50(65-5)30-42(35)45(55)24-37(34)25-46-43-31-51(66-6)49(64-4)27-36(43)17-19-57(46)54(59)52-28-38(44-33-68-47-11-9-8-10-41(44)47)29-53(69-52)67-23-21-56(20-22-58)70(60,61)40-14-12-39(62-2)13-15-40/h8-15,26-28,30-31,33-34,37-38,45-46,53,58H,7,16-25,29,32H2,1-6H3/t34-,37+,38+,45-,46+,53-/m0/s1
SMILES: CCCCC1=C(C=C2CC(CC2=C1)(C#N)C(=O)OCC)C3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H37N5O9/c1-6-8-9-21-10-22-12-33(15-34,32(42)43-7-2)13-23(22)11-24(21)26-27-30(36-16-35-26)38(17-37-27)31-29(46-20(5)41)28(45-19(4)40)25(47-31)14-44-18(3)39/h10-11,16-17,25,28-29,31H,6-9,12-14H2,1-5H3/t25-,28-,29-,31-,33?/m1/s1
SMILES: CN1C2=CC(=O)CC[C@]23C4=CC5=C(C=C4CO[C@@]3(C1=O)OC)OCO5
InChI: InChI=1S/C18H17NO6/c1-19-15-6-11(20)3-4-17(15)12-7-14-13(23-9-24-14)5-10(12)8-25-18(17,22-2)16(19)21/h5-7H,3-4,8-9H2,1-2H3/t17-,18+/m0/s1
SMILES: C1C=C[C@@]2(O1)[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C37H38O6/c1-5-14-29(15-6-1)24-38-28-33-34(39-25-30-16-7-2-8-17-30)35(40-26-31-18-9-3-10-19-31)36(37(43-33)22-13-23-42-37)41-27-32-20-11-4-12-21-32/h1-22,33-36H,23-28H2/t33-,34+,35+,36-,37+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=COC5=C(C4)C=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=C(C=C9)C(=O)C1=CC=CC=C1
InChI: InChI=1S/C50H37NO7/c52-36-20-23-42-32(25-36)24-33(28-58-42)45-37-21-22-38-44(49(57)51(48(38)56)35-18-16-31(17-19-35)46(54)30-12-6-2-7-13-30)40(37)26-41-47(55)39(29-10-4-1-5-11-29)27-43(53)50(41,45)34-14-8-3-9-15-34/h1-21,23,25,27-28,38,40-41,44-45,52H,22,24,26H2/t38-,40+,41-,44-,45-,50-/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC(CNC)O)C4=CC=CC=C4)C
InChI: InChI=1S/C28H33NO4/c1-28(2)27(20-8-6-5-7-9-20)26(24-15-14-23(31-4)16-25(24)33-28)19-10-12-22(13-11-19)32-18-21(30)17-29-3/h5-16,21,26-27,29-30H,17-18H2,1-4H3/t21?,26-,27+/m1/s1
SMILES: C[NH+]1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3
InChI: InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/p+1/t12-,13-,14+,15+,16-/m0/s1
SMILES: CCCCNC(CC(=O)OCC)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C23H35NO6/c1-5-7-13-24-17(14-18(25)26-6-2)19-20(27-15-16-11-9-8-10-12-16)21-22(28-19)30-23(3,4)29-21/h8-12,17,19-22,24H,5-7,13-15H2,1-4H3/t17?,19-,20+,21-,22-/m1/s1
SMILES: C[C@@H]1C=C[C@@H]([C@]2([C@@H]1[C@@H](N(C2=O)C(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4)C(OC)OC)COCC5=CC=CC=C5
InChI: InChI=1S/C35H39NO6/c1-25-19-20-29(24-41-22-27-15-9-5-10-16-27)35(33(39-2)40-3)31(25)30(21-26-13-7-4-8-14-26)36(32(35)37)34(38)42-23-28-17-11-6-12-18-28/h4-20,25,29-31,33H,21-24H2,1-3H3/t25-,29-,30+,31+,35-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N(C[C@@H]2CC[C@@H]([C@H](O2)NC(=O)C(F)(F)F)I)C(=O)C(F)(F)F
InChI: InChI=1S/C18H19F6IN2O3/c1-10(11-5-3-2-4-6-11)27(16(29)18(22,23)24)9-12-7-8-13(25)14(30-12)26-15(28)17(19,20)21/h2-6,10,12-14H,7-9H2,1H3,(H,26,28)/t10-,12+,13+,14+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)C2=CC=CS2)C3=CC=C(C=C3)Br
InChI: InChI=1S/C19H17BrO3S/c1-2-23-19(22)18-15(12-5-7-14(20)8-6-12)10-13(11-16(18)21)17-4-3-9-24-17/h3-9,11,15,18H,2,10H2,1H3/t15-,18-/m0/s1
SMILES: CC1[C@@]23CCC[C@@H]2CC(=O)[C@H](C3)C14SC5=CC=CC=C5S4
InChI: InChI=1S/C18H20OS2/c1-11-17-8-4-5-12(17)9-14(19)13(10-17)18(11)20-15-6-2-3-7-16(15)21-18/h2-3,6-7,11-13H,4-5,8-10H2,1H3/t11?,12-,13+,17+/m1/s1
SMILES: CC1=CC(=CC=C1)C(=O)N[C@@H]2[C@@H](/[N+](=C/C3=CC=CC=C3OC)/NC2=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H22ClN3O3/c1-16-6-5-8-18(14-16)24(30)27-22-23(17-10-12-20(26)13-11-17)29(28-25(22)31)15-19-7-3-4-9-21(19)32-2/h3-15,22-23H,1-2H3,(H-,27,28,30,31)/p+1/b29-15-/t22-,23+/m1/s1
SMILES: CCNC1=NC(=CS1)C2=NC3=C(C=CC4=C3CCO4)C(=C2)O[C@@H]5C[C@H](N(C5)C(=O)[C@H](C(C)(C)C)NC(=O)OC6CCCC6)C(=O)N[C@@]7(C[C@H]7C=C)C(=O)O
InChI: InChI=1S/C39H48N6O8S/c1-6-21-18-39(21,35(48)49)44-33(46)28-16-23(19-45(28)34(47)32(38(3,4)5)43-37(50)53-22-10-8-9-11-22)52-30-17-26(27-20-54-36(42-27)40-7-2)41-31-24(30)12-13-29-25(31)14-15-51-29/h6,12-13,17,20-23,28,32H,1,7-11,14-16,18-19H2,2-5H3,(H,40,42)(H,43,50)(H,44,46)(H,48,49)/t21-,23-,28+,32-,39-/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16+,17-,18+,19-,20+,21+,23+,24-/m1/s1
SMILES: CCOC(=O)[C@]12CC(=O)[C@]([C@@H]1C[C@@H](NC2)C)(C)C#N
InChI: InChI=1S/C14H20N2O3/c1-4-19-12(18)14-6-11(17)13(3,7-15)10(14)5-9(2)16-8-14/h9-10,16H,4-6,8H2,1-3H3/t9-,10-,13+,14-/m0/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC(=C(C=C8)C(=O)O)O)O
InChI: InChI=1S/C44H35NO8/c1-2-10-25-13-9-16-31(39(25)48)38-28-19-20-30-37(42(51)45(41(30)50)27-17-18-29(43(52)53)35(46)21-27)33(28)22-34-40(49)32(24-11-5-3-6-12-24)23-36(47)44(34,38)26-14-7-4-8-15-26/h2-9,11-19,21,23,30,33-34,37-38,46,48H,1,10,20,22H2,(H,52,53)/t30-,33+,34-,37-,38+,44-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1[C@@H]([C@H]2C(=O)[O-])C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H20ClNO4/c22-14-3-7-16(8-4-14)27-17-9-5-15(6-10-17)23-20(24)18-12-1-2-13(11-12)19(18)21(25)26/h3-10,12-13,18-19H,1-2,11H2,(H,23,24)(H,25,26)/p-1/t12-,13+,18-,19-/m0/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34C2[C@H]([C@](C31)([C@]5(C[C@@H]([C@H]6CC4C5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CCC8=O
InChI: InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21?,23+,24+,27?,28+,29?,30-,32?,33+,34-,35+,36+/m1/s1
SMILES: [2H]C([2H])([2H])[C@@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@]5(C4(C)C)CNC6=C5C=CC7=C6OC=CC(O7)(C)C)N(C3=O)C)O
InChI: InChI=1S/C28H37N3O4/c1-23(2)10-12-34-21-18(35-23)8-7-17-20(21)29-15-26(17)14-27-16-31-11-9-25(5,33)28(31,22(32)30(27)6)13-19(27)24(26,3)4/h7-8,10,12,19,29,33H,9,11,13-16H2,1-6H3/t19-,25-,26-,27+,28-/m0/s1/i5D3
SMILES: CCC(C)C1C(=O)N[C@H](C(=O)NC(CC2=CNC3=C2C=CC(=C3)[C@H]([C@@H](C(=O)N1)NC(=O)[C@@H]4CCC(=O)N4)C(C)C)C(=O)O)C(C)C
InChI: InChI=1S/C33H46N6O7/c1-7-17(6)27-31(43)37-26(16(4)5)30(42)36-23(33(45)46)13-19-14-34-22-12-18(8-9-20(19)22)25(15(2)3)28(32(44)38-27)39-29(41)21-10-11-24(40)35-21/h8-9,12,14-17,21,23,25-28,34H,7,10-11,13H2,1-6H3,(H,35,40)(H,36,42)(H,37,43)(H,38,44)(H,39,41)(H,45,46)/t17?,21-,23?,25+,26-,27?,28-/m0/s1