EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)N[C@@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C)CCC[C@H]2COC(N2C(=O)OC(C)(C)C)(C)C
InChI: InChI=1S/C27H44N2O11/c1-15(30)28-22-20(12-10-11-19-13-36-27(8,9)29(19)25(34)40-26(5,6)7)39-21(14-35-16(2)31)23(37-17(3)32)24(22)38-18(4)33/h19-24H,10-14H2,1-9H3,(H,28,30)/t19-,20-,21+,22+,23+,24+/m0/s1
SMILES: CC(C)(CCNC(=O)OC)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=CC(=C4)NC
InChI: InChI=1S/C32H46N4O9S/c1-32(2,14-15-34-30(38)42-4)21-36(46(40,41)24-12-8-11-23(18-24)33-3)19-27(37)26(17-22-9-6-5-7-10-22)35-31(39)45-28-20-44-29-25(28)13-16-43-29/h5-12,18,25-29,33,37H,13-17,19-21H2,1-4H3,(H,34,38)(H,35,39)/t25-,26-,27+,28-,29+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)CC=C)OC(=O)C
InChI: InChI=1S/C16H24O8/c1-6-7-12-14(22-10(3)18)13(8-21-9(2)17)24-16(20-5)15(12)23-11(4)19/h6,12-16H,1,7-8H2,2-5H3/t12-,13+,14+,15+,16-/m0/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H18N4O5/c1-11-16(18(24)21-13-6-4-7-14(10-13)23(26)27)17(22-19(25)20-11)12-5-3-8-15(9-12)28-2/h3-10,16-17H,1H2,2H3,(H,21,24)(H2,20,22,25)/t16-,17+/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H20ClNO4/c1-13-5-10-18-19(11-13)21(26)24(20(18)25)16-3-2-4-17(12-16)28-22(27)14-6-8-15(23)9-7-14/h2-4,6-9,12-13,18-19H,5,10-11H2,1H3/t13-,18-,19-/m1/s1
SMILES: CC[C@@H](C)/C=C(\C)/C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@@H](C[C@@]1([C@@H]2[C@@H](O2)C=CC1=O)O)CO
InChI: InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1
SMILES: CN(CC=C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H31N5O/c1-3-14-30(2)27(33)25-18-31-15-13-23(25)16-24(31)17-32-19-26(28-29-32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h3-12,19,23-25H,1,13-18H2,2H3/t23-,24-,25+/m1/s1
SMILES: CC(C)[C@]12CC=C([C@H]1C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H17NO4/c1-10(2)16-8-7-14(13(16)9-16)21-15(18)11-3-5-12(6-4-11)17(19)20/h3-7,10,13H,8-9H2,1-2H3/t13-,16-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C20H25N3O5/c1-3-28-17(25)14-7-9-15(10-8-14)21-16(24)12-23-18(26)20(22-19(23)27)11-5-4-6-13(20)2/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,24)(H,22,27)/t13-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C17H17NO4S/c1-12-8-10-14(11-9-12)23(20,21)18-15(16(18)17(19)22-2)13-6-4-3-5-7-13/h3-11,15-16H,1-2H3/t15-,16+,18?/m1/s1
SMILES: C[C@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CCC4=CC=C(C=C4)O)O)C
InChI: InChI=1S/C23H31NO4/c1-14-4-3-5-16-12-19-20(21(26)23(14,16)2)18(22(27)28-19)13-24-11-10-15-6-8-17(25)9-7-15/h5-9,14,18-21,24-26H,3-4,10-13H2,1-2H3/p+1/t14-,18-,19+,20+,21+,23+/m0/s1
SMILES: CC1=C(C=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC(=CC=C4)Cl)C(=O)[O-]
InChI: InChI=1S/C20H18ClNO2/c1-11-14(20(23)24)8-9-17-15-6-3-7-16(15)19(22-18(11)17)12-4-2-5-13(21)10-12/h2-6,8-10,15-16,19,22H,7H2,1H3,(H,23,24)/p-1/t15-,16+,19+/m0/s1
SMILES: CCOC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@@H]([C@H]3[C@@H]2[C@@H]([C@@H](C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5Cl
InChI: InChI=1S/C26H23Cl2N3O5S/c1-2-36-14-11-16-23-17(13-22(24(23)28)37-21-10-6-5-9-19(21)30(32)33)25(15-7-3-4-8-18(15)27)29-26(16)20(12-14)31(34)35/h3-12,17,22-25,29H,2,13H2,1H3/t17-,22-,23-,24-,25-/m1/s1
SMILES: C[C@@H]([C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)SCCC(C)C
InChI: InChI=1S/C26H44OS/c1-17(2)12-15-28-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20-,21?,22+,23?,24?,25-,26+/m0/s1
SMILES: C1=CC(=CN=C1)CNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)O)O3
InChI: InChI=1S/C14H14N2O4/c17-13(16-7-8-2-1-5-15-6-8)11-9-3-4-10(20-9)12(11)14(18)19/h1-6,9-12H,7H2,(H,16,17)(H,18,19)/t9-,10-,11-,12-/m1/s1
SMILES: C1CCC(CC1)NC(=O)C2[C@@H]([C@H](CN2C(=O)C3=COC=C3)O)O
InChI: InChI=1S/C16H22N2O5/c19-12-8-18(16(22)10-6-7-23-9-10)13(14(12)20)15(21)17-11-4-2-1-3-5-11/h6-7,9,11-14,19-20H,1-5,8H2,(H,17,21)/t12-,13?,14+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O
InChI: InChI=1S/C21H31N3O14S/c1-9(27)22-15-17(29)19(13(8-26)37-20(15)35-2)38-21-18(30)14(16(28)12(7-25)36-21)23-39(33,34)11-5-3-10(4-6-11)24(31)32/h3-6,12-21,23,25-26,28-30H,7-8H2,1-2H3,(H,22,27)/t12-,13-,14+,15-,16+,17-,18-,19-,20-,21+/m1/s1
SMILES: CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3OC)Cl)F)O)OCCCCCCCCCC
InChI: InChI=1S/C36H63ClFN4O8PS/c1-4-6-8-10-12-14-15-17-19-21-23-52-26-28(47-22-20-18-16-13-11-9-7-5-2)24-48-51(44,45)49-25-29-32(43)30(38)35(50-29)42-27-39-31-33(42)40-36(37)41-34(31)46-3/h27-30,32,35,43H,4-26H2,1-3H3,(H,44,45)/t28?,29-,30+,32-,35-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@H]2[C@@H](CC(=CC2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H22O3S/c1-18-12-14-22(15-13-18)29(27,28)25-23(20-10-6-3-7-11-20)16-21(17-24(25)26)19-8-4-2-5-9-19/h2-15,17,23,25H,16H2,1H3/t23-,25-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4([C@H]3CC[C@@]2(C1=O)C)C
InChI: InChI=1S/C21H32O2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h13-14,16-18H,4-12H2,1-3H3/t13-,14-,16+,17+,18+,20+,21+/m1/s1
SMILES: CN1C(=NN(C1=S)[C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C15H14ClN3O3S/c1-18-13(8-2-4-9(16)5-3-8)17-19(15(18)23)10-6-11(20)14-21-7-12(10)22-14/h2-5,10,12,14H,6-7H2,1H3/t10-,12+,14-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=CC=C(O3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H16ClF3N2O4/c23-14-8-6-12(7-9-14)15-10-11-16(32-15)18-17(19(29)13-4-2-1-3-5-13)21(31,22(24,25)26)28-20(30)27-18/h1-11,17-18,31H,(H2,27,28,30)/t17-,18+,21-/m0/s1
SMILES: CC(C)([C@H]1[C@@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)N3CCOCC3)C(=O)OC
InChI: InChI=1S/C19H22BrNO6/c1-19(2,18(24)25-3)15-12-10-11(20)4-5-13(12)27-17(23)14(15)16(22)21-6-8-26-9-7-21/h4-5,10,14-15H,6-9H2,1-3H3/t14-,15-/m1/s1
SMILES: CCCCC(C)(C)[C@@H](/C=C\[C@@H]1[C@H](CC(=O)[C@H]1CCCC/C=C/C(=O)OC)O)O
InChI: InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3/b12-10+,14-13-/t17-,18-,20-,21+/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCC(=O)O)O)O)N
InChI: InChI=1S/C13H17N5O5/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(22)9(21)6(23-13)2-1-3-7(19)20/h4-6,9-10,13,21-22H,1-3H2,(H,19,20)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCC[C@H]3CO)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C40H49NO4/c1-28-8-6-21-39(2)37(20-22-40(39,45)27-41-23-7-11-33(41)26-42)35-19-13-29(24-34(43)18-12-28)25-36(35)38(44)32-16-14-31(15-17-32)30-9-4-3-5-10-30/h3-5,8-10,13-17,19,25,33-34,37,42-43,45H,6-7,11-12,18,20-24,26-27H2,1-2H3/t33-,34-,37-,39-,40+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@H]2CC(=O)O3)(C)CO)OC(=O)NC4CCCCC4
InChI: InChI=1S/C22H35NO5/c1-21-11-10-18(28-20(26)23-14-6-4-3-5-7-14)22(2,13-24)17(21)9-8-16-15(21)12-19(25)27-16/h14-18,24H,3-13H2,1-2H3,(H,23,26)/t15-,16-,17-,18-,21+,22+/m1/s1
SMILES: CC[C@@H]1[C@H]([C@H]([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C(=O)O)SCC
InChI: InChI=1S/C23H29NO4S2/c1-5-19-22(29-6-2)20(23(25)26)21(17-11-7-15(3)8-12-17)24(19)30(27,28)18-13-9-16(4)10-14-18/h7-14,19-22H,5-6H2,1-4H3,(H,25,26)/t19-,20+,21+,22-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@@](C=O)(C2=CC=CC=C2)O)O[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H48O6Si2/c1-19-21(32-34(9,10)25(2,3)4)22(30-8)23(33-35(11,12)26(5,6)7)24(31-19)27(29,18-28)20-16-14-13-15-17-20/h13-19,21-24,29H,1-12H3/t19-,21-,22-,23+,24+,27-/m1/s1
SMILES: CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C20H27NO5S/c1-2-11-26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)C(=O)O)O)C)C)[C@H]2[C@]1(C)O)C)C(=O)O
InChI: InChI=1S/C30H46O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,17,19-22,31,36H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,19-,20-,21+,22+,25-,26-,27-,28-,29-,30+/m1/s1
SMILES: CC1=C2C[C@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O
InChI: InChI=1S/C45H51NO12/c1-25-30-21-32(48)43(5)33(49)22-34-44(24-55-34,58-26(2)47)37(43)38(57-40(52)29-19-13-8-14-20-29)45(54,42(30,3)4)23-31(25)56-41(53)36(50)35(27-15-9-6-10-16-27)46-39(51)28-17-11-7-12-18-28/h6-20,31-38,48-50,54H,21-24H2,1-5H3,(H,46,51)/t31-,32+,33-,34+,35-,36+,37-,38-,43+,44-,45+/m0/s1
SMILES: CCC1=CC=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)C
InChI: InChI=1S/C26H24N2O3/c1-3-18-11-15-20(16-12-18)27-25(29)22-23(19-13-9-17(2)10-14-19)28(31-24(22)26(27)30)21-7-5-4-6-8-21/h4-16,22-24H,3H2,1-2H3/t22-,23-,24+/m1/s1
SMILES: CC[C@@]1(CC[C@@H](O1)[C@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)N)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)OC)C)C)C
InChI: InChI=1S/C37H65NO10/c1-11-35(32-21(3)17-27(44-32)29-20(2)16-22(4)37(19-39,43-10)47-29)13-12-28(45-35)34(8)14-15-36(48-34)18-26(38)23(5)31(46-36)24(6)30(42-9)25(7)33(40)41/h20-32,39H,11-19,38H2,1-10H3,(H,40,41)/t20-,21-,22+,23+,24-,25-,26-,27+,28+,29-,30+,31-,32+,34+,35+,36+,37-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO
InChI: InChI=1S/C14H18N6O.C10H13N5O4/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t8-,10+;6-,7+,8+/m10/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
InChI: InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27?/m0/s1
SMILES: C[C@H]1[C@H](C2=CC=CC=C2N1)C(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)C)N
InChI: InChI=1S/C20H19N3OS2/c1-11-7-9-13(10-8-11)23-19(21)18(26-20(23)25)17(24)16-12(2)22-15-6-4-3-5-14(15)16/h3-10,12,16,22H,21H2,1-2H3/t12-,16+/m0/s1
SMILES: COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)N[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C#N
InChI: InChI=1S/C18H21N5O5/c1-27-11-4-2-10(3-5-11)7-20-16-12(6-19)17(22-9-21-16)23-18-15(26)14(25)13(8-24)28-18/h2-5,9,13-15,18,24-26H,7-8H2,1H3,(H2,20,21,22,23)/t13-,14-,15-,18-/m1/s1
SMILES: CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N/N=C\3/C[C@@H]4[C@H]3CC=C4
InChI: InChI=1S/C23H24N2O3/c1-2-27-19-10-12-20(13-11-19)28-15-16-6-8-17(9-7-16)23(26)25-24-22-14-18-4-3-5-21(18)22/h3-4,6-13,18,21H,2,5,14-15H2,1H3,(H,25,26)/b24-22-/t18-,21-/m1/s1
SMILES: CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)N4CC[C@@H]5CCCC[C@@H]5C4
InChI: InChI=1S/C21H27N3OS2/c1-13-22-20(19-16-7-4-8-17(16)27-21(19)23-13)26-12-18(25)24-10-9-14-5-2-3-6-15(14)11-24/h14-15H,2-12H2,1H3/t14-,15+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)OC)O
InChI: InChI=1S/C29H50O6/c1-15(2)16(3)26(34-7)25(32)17(4)19-8-9-20-18-14-35-27(33)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-32H,8-14H2,1-7H3/t16-,17-,18-,19+,20-,21-,22?,23-,24+,25+,26+,28+,29+/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C(C)(C)C)OP(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)OP(C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C45H44F12O8P2/c1-40(2,3)38(58)61-24-33-34(64-66(29-16-8-25(9-17-29)42(46,47)48)30-18-10-26(11-19-30)43(49,50)51)35(36(37(60-7)62-33)63-39(59)41(4,5)6)65-67(31-20-12-27(13-21-31)44(52,53)54)32-22-14-28(15-23-32)45(55,56)57/h8-23,33-37H,24H2,1-7H3/t33-,34-,35+,36-,37+/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=C4CNC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN(C)CCC6=CC=CC=N6
InChI: InChI=1S/C45H50N4O6/c1-31-41(29-49(2)26-24-38-14-9-10-25-46-38)54-44(55-42(31)35-18-16-33(30-50)17-19-35)36-22-20-34(21-23-36)39-15-8-7-13-37(39)28-47-45(52)48-40(43(51)53-3)27-32-11-5-4-6-12-32/h4-23,25,31,40-42,44,50H,24,26-30H2,1-3H3,(H2,47,48,52)/t31-,40-,41+,42+,44+/m0/s1
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC1([C@@H](N2[C@H](S1(=O)=O)[C@H](C2=O)CN)C(=O)[O-])C
InChI: InChI=1S/C16H36N.C9H14N2O5S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)5(8(13)14)11-6(12)4(3-10)7(11)17(9,15)16/h5-16H2,1-4H3;4-5,7H,3,10H2,1-2H3,(H,13,14)/q+1;/p-1/t;4-,5-,7+/m.0/s1
SMILES: C[C@]12CC3=C(C=C1CC[C@@H]2C[C@H](CCC=C)O)N(N=C3)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H27FN2O/c1-3-4-5-21(27)12-17-6-7-18-13-22-16(14-23(17,18)2)15-25-26(22)20-10-8-19(24)9-11-20/h3,8-11,13,15,17,21,27H,1,4-7,12,14H2,2H3/t17-,21+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CCN([C@H]2C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H27NO3S/c1-20-12-14-24(15-13-20)30(27,28)29-19-23-16-17-26(18-21-8-4-2-5-9-21)25(23)22-10-6-3-7-11-22/h2-15,23,25H,16-19H2,1H3/t23-,25-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C[C@H](COCC4=CC=CC=C4)O)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC(=CC=C6)C(F)(F)F)C
InChI: InChI=1S/C45H56F3NO6/c1-31-9-7-20-43(2)41(39-18-16-33(23-36(50)17-15-31)24-40(39)42(52)34-12-6-13-35(25-34)45(46,47)48)19-21-44(43,53)30-49(27-38-14-8-22-55-38)26-37(51)29-54-28-32-10-4-3-5-11-32/h3-6,9-13,16,18,24-25,36-38,41,50-51,53H,7-8,14-15,17,19-23,26-30H2,1-2H3/t36-,37+,38+,41-,43-,44+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])NS(=O)(=O)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H58N4O6SSi3/c1-28(2,3)42(10,11)37-21-23-25(39-43(12,13)29(4,5)6)26(40-44(14,15)30(7,8)9)24(27(38-23)32-34-31)33-41(35,36)22-19-17-16-18-20-22/h16-20,23-27,33H,21H2,1-15H3/t23-,24-,25-,26-,27-/m1/s1
SMILES: C1=CSC(=C1)C(=O)[C@@H]2[C@H](NC(=S)N[C@]2(C(F)(F)F)O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H12F3N3O4S2/c17-16(18,19)15(24)11(13(23)10-2-1-7-28-10)12(20-14(27)21-15)8-3-5-9(6-4-8)22(25)26/h1-7,11-12,24H,(H2,20,21,27)/t11-,12+,15-/m0/s1
SMILES: CC(C)C1=CC(=O)C2=C(C1=O)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C
InChI: InChI=1S/C20H26O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15H,6-8,10H2,1-5H3/t15-,20-/m0/s1
SMILES: C[C@@H]1[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@@H]([C@H](OC3(C)C)C)C(=O)N[C@H](C(=O)N2C(O1)(C)C)C(C)C)C(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C
InChI: InChI=1S/C39H70N6O9Si/c1-19(2)25-31(46)43-28(22(7)54-55(17,18)37(10,11)12)32(47)41-26(20(3)4)35(50)45-30(24(9)53-39(45,15)16)34(49)42-27(21(5)6)36(51)44-29(33(48)40-25)23(8)52-38(44,13)14/h19-30H,1-18H3,(H,40,48)(H,41,47)(H,42,49)(H,43,46)/t22-,23-,24-,25+,26+,27+,28+,29+,30+/m1/s1
SMILES: CCC1=CC=C(S1)C(=O)CN2C(=O)[C@@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C17H22N2O3S/c1-3-12-7-8-14(23-12)13(20)10-19-15(21)17(18-16(19)22)9-5-4-6-11(17)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,22)/t11-,17+/m1/s1
SMILES: C[C@]12CCCC([C@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C
InChI: InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20-/m1/s1
SMILES: CC(CO)C1=C2[C@H]3C[C@H](C(=C[C@@H]([C@@]3(CC[C@]2(CC1)CO)C)O)C=O)CC(=O)C4=CC=CC=C4
InChI: InChI=1S/C28H36O5/c1-18(15-29)22-8-9-28(17-31)11-10-27(2)23(26(22)28)12-20(21(16-30)14-25(27)33)13-24(32)19-6-4-3-5-7-19/h3-7,14,16,18,20,23,25,29,31,33H,8-13,15,17H2,1-2H3/t18?,20-,23+,25-,27+,28+/m0/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O)C(=O)O
InChI: InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9+,10+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(C4=CC=CC=C4)P(=O)(O)O
InChI: InChI=1S/C17H19N2O8P/c1-10-8-19(16(21)18-15(10)20)14-7-12-13(26-14)9-25-17(27-12,28(22,23)24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,20,21)(H2,22,23,24)/t12-,13-,14-,17-/m0/s1
SMILES: COC1([C@@]2([C@H]([C@@]2(C(=N1)N)C#N)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C#N)OC
InChI: InChI=1S/C15H12ClN5O4/c1-24-15(25-2)14(7-18)11(13(14,6-17)12(19)20-15)9-5-8(21(22)23)3-4-10(9)16/h3-5,11H,1-2H3,(H2,19,20)/t11-,13+,14+/m0/s1
SMILES: CC(=O)OC[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11+,12+,13-,14+/m0/s1
SMILES: CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[C@H]3NC(=O)C4=CC5=C(C=C4)C(=CN5)Cl
InChI: InChI=1S/C29H28ClN3O4S/c1-38(36,37)27-9-5-3-6-21(27)18-10-13-20(14-11-18)32-29(35)23-7-2-4-8-25(23)33-28(34)19-12-15-22-24(30)17-31-26(22)16-19/h3,5-6,9-17,23,25,31H,2,4,7-8H2,1H3,(H,32,35)(H,33,34)/t23-,25+/m0/s1
SMILES: CC(C)N(CCN(CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCC(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C(=O)N)C(C)C
InChI: InChI=1S/C34H44Cl2N8O5/c1-19(2)43(20(3)4)14-13-42(34(37)48)16-27-40-31(28-32(41-27)44(18-39-28)33-30(47)29(46)26(17-45)49-33)38-15-25(21-5-9-23(35)10-6-21)22-7-11-24(36)12-8-22/h5-12,18-20,25-26,29-30,33,45-47H,13-17H2,1-4H3,(H2,37,48)(H,38,40,41)/t26-,29-,30-,33-/m1/s1
SMILES: CCN1CC2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C
InChI: InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21?,22+,24-,25-,27+,28-,29+,30-,33?,34?,35+,36?,37?/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](C(=O)N(C2=O)C3=CC(=CC=C3)Cl)[C@@]4(N1)C5=CC=CC=C5N(C4=O)CC6=CC=C(C=C6)F
InChI: InChI=1S/C27H21ClFN3O3/c1-15-22-23(25(34)32(24(22)33)19-6-4-5-17(28)13-19)27(30-15)20-7-2-3-8-21(20)31(26(27)35)14-16-9-11-18(29)12-10-16/h2-13,15,22-23,30H,14H2,1H3/t15-,22-,23+,27-/m0/s1
SMILES: [13CH2]1[C@@H]([C@H](O[13C@H]1N2C=CC(=O)NC2=O)[13CH2]O)O
InChI: InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i3+1,4+1,8+1
SMILES: CC(C)C(=O)[C@]12C(=O)C(=C3[C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)C[C@H](O3)O)CC=C(C)C
InChI: InChI=1S/C32H46O5/c1-19(2)11-10-16-30(9)23(14-12-20(3)4)17-31-18-25(33)37-28(31)24(15-13-21(5)6)27(35)32(30,29(31)36)26(34)22(7)8/h11-13,22-23,25,33H,10,14-18H2,1-9H3/t23-,25-,30+,31-,32-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@H]2[C@H](OC(O2)(C)C)C3(CC3)O)O)C
InChI: InChI=1S/C14H24O6/c1-12(2)17-7-8(18-12)9(15)10-11(14(16)5-6-14)20-13(3,4)19-10/h8-11,15-16H,5-7H2,1-4H3/t8-,9-,10+,11+/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(C)C(=O)C5=CC6=CC=CC=C6C=C5)OCC=C
InChI: InChI=1S/C54H75N3O8/c1-5-8-9-10-11-12-13-14-15-20-31-55-53(61)64-43-29-30-48-46(37-43)50-44(26-19-22-33-59)41(25-18-21-32-58)36-45-47(56-63-7-3)38-49(54(65-48,51(45)50)62-34-6-2)57(4)52(60)42-28-27-39-23-16-17-24-40(39)35-42/h6,16-17,23-24,27-30,35-37,41,44,49-51,58-59H,2,5,7-15,18-22,25-26,31-34,38H2,1,3-4H3,(H,55,61)/t41-,44+,49-,50+,51+,54+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)NC(=O)C4CC4)C)[C@H](C)C(=O)N(C)CCC#N)O
InChI: InChI=1S/C24H34N4O3S/c1-13(22(31)28(4)11-5-10-25)16-8-9-24(3)12-17-19(14(2)18(24)20(16)29)26-23(32-17)27-21(30)15-6-7-15/h13-16,18,20,29H,5-9,11-12H2,1-4H3,(H,26,27,30)/t13-,14-,16+,18+,20-,24-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@](C)(CCC2C(=CC[C@@H]3[C@@]2(CCCC3(C)C)C)C)C=C)O)OC(=O)C)O
InChI: InChI=1S/C28H46O6/c1-9-27(7,34-25-23(31)24(33-19(4)29)22(30)18(3)32-25)16-13-20-17(2)11-12-21-26(5,6)14-10-15-28(20,21)8/h9,11,18,20-25,30-31H,1,10,12-16H2,2-8H3/t18-,20?,21-,22-,23+,24+,25-,27-,28+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CF)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22FNO10/c1-7(19)24-6-11-14(25-8(2)20)15(26-9(3)21)13(18-12(23)5-17)16(28-11)27-10(4)22/h11,13-16H,5-6H2,1-4H3,(H,18,23)/t11-,13-,14+,15-,16-/m1/s1
SMILES: C[C@H]1C[C@@H]([C@@]2([C@H]3CC4=C(C=CO4)[C@]([C@@H]3[C@H]([C@@H]([C@@]25[C@@]1(O5)C)OC(=O)C)OC(=O)C)(C)O)C)OC(=O)C
InChI: InChI=1S/C26H34O9/c1-12-10-19(32-13(2)27)23(5)17-11-18-16(8-9-31-18)24(6,30)20(17)21(33-14(3)28)22(34-15(4)29)26(23)25(12,7)35-26/h8-9,12,17,19-22,30H,10-11H2,1-7H3/t12-,17-,19-,20-,21+,22-,23-,24-,25+,26-/m0/s1
SMILES: CCN1CC[C@@H]2[C@H](C1)C3=C([C@@H]2C4=CC=C(C=C4)OC)C=C(C=C3)C
InChI: InChI=1S/C22H27NO/c1-4-23-12-11-19-21(14-23)18-10-5-15(2)13-20(18)22(19)16-6-8-17(24-3)9-7-16/h5-10,13,19,21-22H,4,11-12,14H2,1-3H3/t19-,21-,22-/m1/s1
SMILES: CCC[C@@H]1CC(=C)C[C@H]([C@@H]([C@H](C[C@H]2C[C@@H]([C@@H](O2)CCCC[C@@H](C(=O)O1)C)C)O)OCOC)C
InChI: InChI=1S/C27H48O6/c1-7-10-22-14-18(2)13-21(5)26(31-17-30-6)24(28)16-23-15-20(4)25(32-23)12-9-8-11-19(3)27(29)33-22/h19-26,28H,2,7-17H2,1,3-6H3/t19-,20-,21+,22+,23+,24-,25-,26-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NC(=O)[C@H](CC4=CC=CC=C4)N)CCC5=C3C=CC(=C5)O.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C27H34N2O2.C2HF3O2/c1-27-14-13-21-20-10-8-19(30)16-18(20)7-9-22(21)23(27)11-12-25(27)29-26(31)24(28)15-17-5-3-2-4-6-17;3-2(4,5)1(6)7/h2-6,8,10,16,21-25,30H,7,9,11-15,28H2,1H3,(H,29,31);(H,6,7)/t21-,22-,23+,24+,25+,27+;/m1./s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(C=C8)O)C(=O)N(C7=O)C9=CC(=C(C(=C9)[N+](=O)[O-])N(C)C)[N+](=O)[O-])C
InChI: InChI=1S/C42H36ClN7O9S/c1-19-26-14-21(43)8-13-32(26)60-37(19)29-18-33(46(5)44-29)48-39(53)28-17-27-24(35(42(28,2)41(48)55)20-6-9-23(51)10-7-20)11-12-25-34(27)40(54)47(38(25)52)22-15-30(49(56)57)36(45(3)4)31(16-22)50(58)59/h6-11,13-16,18,25,27-28,34-35,51H,12,17H2,1-5H3/t25-,27+,28-,34-,35-,42+/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CCC(=O)O)O
InChI: InChI=1S/C27H24BrNO9/c1-37-11-7-17(30)24(19(8-11)38-2)23-12-3-4-13-21(27(36)29(26(13)35)6-5-20(32)33)14(12)9-15-22(23)18(31)10-16(28)25(15)34/h3,7-8,10,13-14,21,23,30H,4-6,9H2,1-2H3,(H,32,33)/t13-,14+,21-,23-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COC2=CC=CC=C2
InChI: InChI=1S/C18H24N2O5/c1-13-7-5-6-10-15(13)19-18(23)20-16(21)11-25-17(22)12-24-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H2,19,20,21,23)/t13-,15+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)OC(=O)CC5=CC(=C(C=C5)O)OC)O)C)O)OC(=O)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C37H40O11/c1-19-14-28-35(43,31(19)41)18-24(46-29(40)16-22-12-13-26(39)27(15-22)45-6)17-25-30-34(4,5)37(30,48-21(3)38)32(20(2)36(25,28)44)47-33(42)23-10-8-7-9-11-23/h7-15,17,20,25,28,30,32,39,43-44H,16,18H2,1-6H3/t20-,25+,28-,30-,32-,35-,36-,37-/m1/s1
SMILES: CCCCCCC(=O)CC[C@@H]1CCCC[C@]12CC[C@H](CN2C(=O)OCC3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C43H59NO4Si/c1-5-6-7-13-23-37(45)29-28-36-22-18-19-31-43(36)32-30-38(33-44(43)41(46)47-34-35-20-11-8-12-21-35)48-49(42(2,3)4,39-24-14-9-15-25-39)40-26-16-10-17-27-40/h8-12,14-17,20-21,24-27,36,38H,5-7,13,18-19,22-23,28-34H2,1-4H3/t36-,38+,43-/m0/s1
SMILES: CC1(N[C@H]2CN([C@H](C[C@H]2O1)C[Hg]Br)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C17H23N2O3.BrH.Hg/c1-12-9-15-14(18-17(2,3)22-15)10-19(12)16(20)21-11-13-7-5-4-6-8-13;;/h4-8,12,14-15,18H,1,9-11H2,2-3H3;1H;/q;;+1/p-1/t12-,14-,15+;;/m0../s1
SMILES: CC(C)(C)C(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N=[N+]=[N-])COC(=O)C(C)(C)CCCCCCO
InChI: InChI=1S/C31H53N3O10/c1-28(2,3)24(36)42-20-19(18-40-27(39)31(10,11)16-14-12-13-15-17-35)41-23(33-34-32)22(44-26(38)30(7,8)9)21(20)43-25(37)29(4,5)6/h19-23,35H,12-18H2,1-11H3/t19-,20+,21+,22-,23-/m1/s1
SMILES: [B-](F)(F)(F)F.C[C@@H]1C[PH+]([C@@H]2[C@H]1CCC2(C)C)C3=CC(=C(C(=C3)C(C)(C)C)OC)C(C)(C)C
InChI: InChI=1S/C25H41OP.BF4/c1-16-15-27(22-18(16)11-12-25(22,8)9)17-13-19(23(2,3)4)21(26-10)20(14-17)24(5,6)7;2-1(3,4)5/h13-14,16,18,22H,11-12,15H2,1-10H3;/q;-1/p+1/t16-,18+,22-,27?;/m1./s1