EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12[C@@H](O1)C[C@H]3[C@@H]2[C@@H]4[C@@H](CCC3=C)C(=C)C(=O)O4
InChI: InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h9-13H,1-2,4-6H2,3H3/t9-,10+,11-,12+,13-,15-/m0/s1
SMILES: CC[Si](CC)(C(C)C)O[C@@H]1CC(O[C@@H]([C@H]1OC(=O)N)C)O
InChI: InChI=1S/C14H29NO5Si/c1-6-21(7-2,9(3)4)20-11-8-12(16)18-10(5)13(11)19-14(15)17/h9-13,16H,6-8H2,1-5H3,(H2,15,17)/t10-,11-,12?,13-/m1/s1
SMILES: CCCC[C@@]1(CCCN([C@H]1C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)O
InChI: InChI=1S/C23H29FN2O6S/c1-2-3-13-23(28)14-4-15-26(21(23)22(27)25-29)33(30,31)20-11-9-19(10-12-20)32-16-17-5-7-18(24)8-6-17/h5-12,21,28-29H,2-4,13-16H2,1H3,(H,25,27)/t21-,23-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]3[C@@H]([C@H]([C@H](O2)OCC4=CC=C(C=C4)OC)N=[N+]=[N-])OC(O3)(C)C
InChI: InChI=1S/C24H29N3O8S/c1-15-5-11-18(12-6-15)36(28,29)32-14-19-21-22(35-24(2,3)34-21)20(26-27-25)23(33-19)31-13-16-7-9-17(30-4)10-8-16/h5-12,19-23H,13-14H2,1-4H3/t19-,20-,21+,22-,23+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O
InChI: InChI=1S/C46H55N5O8/c1-46(2,3)59-45(57)50-38(28-32-19-9-5-10-20-32)43(55)49-37(27-31-17-7-4-8-18-31)42(54)48-36(41(53)51-40-35-24-14-13-23-34(35)29-39(40)52)25-15-16-26-47-44(56)58-30-33-21-11-6-12-22-33/h4-14,17-24,36-40,52H,15-16,25-30H2,1-3H3,(H,47,56)(H,48,54)(H,49,55)(H,50,57)(H,51,53)/t36-,37-,38-,39+,40-/m0/s1
SMILES: C1[C@@H]([C@H](C[N+]12C[C@@H]([C@H](C2)OCC3=CC=CC=C3C(F)(F)F)OCC4=CC=CC=C4C(F)(F)F)OCC5=CC=CC=C5C(F)(F)F)OCC6=CC=CC=C6C(F)(F)F.[Br-]
InChI: InChI=1S/C40H36F12NO4.BrH/c41-37(42,43)29-13-5-1-9-25(29)21-54-33-17-53(18-34(33)55-22-26-10-2-6-14-30(26)38(44,45)46)19-35(56-23-27-11-3-7-15-31(27)39(47,48)49)36(20-53)57-24-28-12-4-8-16-32(28)40(50,51)52;/h1-16,33-36H,17-24H2;1H/q+1;/p-1/t33-,34-,35-,36-;/m0./s1
SMILES: CC(C1=CC=CC=C1)N2C(=C)[C@@H]3[C@H](C[C@H](C2=O)N3C)C(=O)OC
InChI: InChI=1S/C18H22N2O3/c1-11(13-8-6-5-7-9-13)20-12(2)16-14(18(22)23-4)10-15(17(20)21)19(16)3/h5-9,11,14-16H,2,10H2,1,3-4H3/t11?,14-,15+,16+/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC8=CC=CC=C8C=C7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C63H76FN3O9/c1-3-5-6-7-8-9-10-11-12-23-60(70)66(43-45-24-29-50(64)30-25-45)59-42-57(65-74-44-46-26-31-51(32-27-46)67(71)72)55-40-49(21-15-17-36-68)54(22-16-18-37-69)61-56-41-53(75-52-33-28-47-19-13-14-20-48(47)39-52)34-35-58(56)76-63(59,62(55)61)73-38-4-2/h4,13-14,19-20,24-35,39-41,49,54,59,61-62,68-69H,2-3,5-12,15-18,21-23,36-38,42-44H2,1H3/t49-,54+,59-,61+,62+,63+/m0/s1
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=C(CCN2)C4=CC=CC=C4N3)C=C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCCC(=O)O)CSC4=CC=CC=C4C(=O)O
InChI: InChI=1S/C31H33NO8S/c1-19-25(18-41-26-9-3-2-8-24(26)30(37)38)39-31(40-29(19)21-14-12-20(17-33)13-15-21)22-6-4-7-23(16-22)32-27(34)10-5-11-28(35)36/h2-4,6-9,12-16,19,25,29,31,33H,5,10-11,17-18H2,1H3,(H,32,34)(H,35,36)(H,37,38)/t19-,25+,29+,31+/m0/s1
SMILES: C1=CC(=CC=C1CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-18(9-4-15-5-10-19(29)20(30)11-15)12-17(28)8-3-14-1-6-16(27)7-2-14/h1-2,5-7,10-11,17-18,21-33H,3-4,8-9,12-13H2/t17-,18-,21-,22-,23+,24-,25-/m1/s1
SMILES: C[C@]1(C[C@H](CC[C@]12N(O2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C)OC
InChI: InChI=1S/C25H33NO2/c1-23(2,3)21-16-17-25(24(4,18-21)27-5)26(28-25)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22H,16-18H2,1-5H3/t21-,24+,25+,26?/m0/s1
SMILES: C1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)C(=O)O)O)O[C@@H]1C(=O)O)O
InChI: InChI=1S/C13H14N2O10/c16-4-1-5(12(21)22)24-8-6(17)10(25-7(4)8)15-2-3(11(19)20)9(18)14-13(15)23/h2,4-8,10,16-17H,1H2,(H,19,20)(H,21,22)(H,14,18,23)/t4-,5+,6-,7-,8+,10-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)C2C[C@@H](C(O2)COC(=O)[C@H]3[C@]4(CCC5C4(CC(C6C5CCC7=CC(=O)C=CC67C)O)C)OC(O3)(C)C)N=[N+]=[N-]
InChI: InChI=1S/C34H43N5O9/c1-17-15-39(30(44)36-28(17)42)25-13-22(37-38-35)24(46-25)16-45-29(43)27-34(48-31(2,3)47-27)11-9-21-20-7-6-18-12-19(40)8-10-32(18,4)26(20)23(41)14-33(21,34)5/h8,10,12,15,20-27,41H,6-7,9,11,13-14,16H2,1-5H3,(H,36,42,44)/t20?,21?,22-,23?,24?,25?,26?,27-,32?,33?,34-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCCSC7=CC=CC=C7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C50H58N2O7S2/c1-3-28-57-50-47(61-41-23-20-38(21-24-41)51-35(2)55)33-45(52-58-34-36-14-6-4-7-15-36)43-31-37(16-10-12-26-53)42(19-11-13-27-54)48(49(43)50)44-32-39(22-25-46(44)59-50)56-29-30-60-40-17-8-5-9-18-40/h3-9,14-15,17-18,20-25,31-32,37,42,47-49,53-54H,1,10-13,16,19,26-30,33-34H2,2H3,(H,51,55)/t37-,42+,47-,48+,49+,50+/m0/s1
SMILES: CC[C@@H]1C2(C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)CC)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C
InChI: InChI=1S/C33H56N2O10/c1-13-22-33(9)25(34-30(40)45-33)19(5)23(36)17(3)16-32(8,41-12)27(20(6)26(38)31(7,14-2)29(39)43-22)44-28-24(37)21(35(10)11)15-18(4)42-28/h17-22,24-25,27-28,37H,13-16H2,1-12H3,(H,34,40)/t17-,18-,19+,20+,21+,22-,24-,25?,27-,28?,31?,32+,33?/m1/s1
SMILES: CCSCCCCCCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI: InChI=1S/C24H39N5O5S/c1-3-35-14-12-10-8-6-4-5-7-9-11-13-22(30)33-17-20-19(27-28-25)15-21(34-20)29-16-18(2)23(31)26-24(29)32/h16,19-21H,3-15,17H2,1-2H3,(H,26,31,32)/t19-,20+,21+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)CC(C)(C)S(=O)(=O)C)O
InChI: InChI=1S/C30H49N3O5S/c1-29(2,3)32-28(36)25-17-22-14-10-11-15-23(22)19-33(25)20-26(34)24(16-21-12-8-7-9-13-21)31-27(35)18-30(4,5)39(6,37)38/h7-9,12-13,22-26,34H,10-11,14-20H2,1-6H3,(H,31,35)(H,32,36)/t22-,23+,24-,25-,26+/m0/s1
SMILES: C1CCC2=C(C(=O)C([C@H]([C@@H]2C1)C3=CC(=CC=C3)Br)(C#N)C#N)C#N
InChI: InChI=1S/C19H14BrN3O/c20-13-5-3-4-12(8-13)17-15-7-2-1-6-14(15)16(9-21)18(24)19(17,10-22)11-23/h3-5,8,15,17H,1-2,6-7H2/t15-,17+/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)[C@H]4[C@@H]3C4)CC5=CC=C(C=C5)Cl)O)C
InChI: InChI=1S/C24H22ClN3O4/c1-24(2)21(29)20(18-9-14(11-26)5-8-19(18)32-24)31-22-16-10-17(16)23(30)28(27-22)12-13-3-6-15(25)7-4-13/h3-9,16-17,20-21,29H,10,12H2,1-2H3/t16-,17+,20+,21-/m0/s1
SMILES: C[C@@]12C[C@H](CC([C@@]1(O2)CO[Si](C)(C)C(C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H46O3Si2/c1-18(2,3)26(10,11)23-16-22-20(7,8)14-17(15-21(22,9)25-22)24-27(12,13)19(4,5)6/h17H,14-16H2,1-13H3/t17-,21+,22-/m0/s1
SMILES: C[C@H](CCC(C(CO)CO)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C18H24N2O6/c1-12-4-3-5-16(13(12)2)19-17(21)10-26-18(22)11-25-15-8-6-14(7-9-15)20(23)24/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,19,21)/t12-,13-,16-/m1/s1
SMILES: C1C=CN(C=C1C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
InChI: InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@]2(C[C@@H](O1)OC)CO2
InChI: InChI=1S/C13H26O4Si/c1-12(2,3)18(5,6)16-8-10-13(9-15-13)7-11(14-4)17-10/h10-11H,7-9H2,1-6H3/t10-,11-,13+/m1/s1
SMILES: C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H14ClN3O2/c1-11-16(18(24)14-6-8-15(20)9-7-14)17(23-19(25)22-11)13-4-2-12(10-21)3-5-13/h2-9,16-17H,1H2,(H2,22,23,25)/t16-,17-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3CC3
InChI: InChI=1S/C17H23ClN2O3S/c1-11-4-2-3-5-15(11)19-17(21)12-6-9-14(18)16(10-12)24(22,23)20-13-7-8-13/h6,9-11,13,15,20H,2-5,7-8H2,1H3,(H,19,21)/t11-,15-/m0/s1
SMILES: CCCN1C(=C(C(=O)N(C1=O)CCC)N(CC2=CC=CC=C2[N+](=O)[O-])C(=O)[C@H]3C[C@@H]4C[C@H]3C=C4)N
InChI: InChI=1S/C25H31N5O5/c1-3-11-27-22(26)21(24(32)28(12-4-2)25(27)33)29(15-18-7-5-6-8-20(18)30(34)35)23(31)19-14-16-9-10-17(19)13-16/h5-10,16-17,19H,3-4,11-15,26H2,1-2H3/t16-,17+,19-/m0/s1
SMILES: CCOCCO[C@@H]([C@@H]1[C@H]([C@@H](OC1=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)C3(SCCCS3)C4=C(C5=C(C=C4)OCO5)OC)C6=CC(=C(C(=C6)OC)OC)OC
InChI: InChI=1S/C40H56O11S2/c1-9-46-15-16-47-34(25-20-30(42-5)36(45-8)31(21-25)43-6)32-33(39(51-38(32)41)50-29-19-24(4)11-12-26(29)23(2)3)40(52-17-10-18-53-40)27-13-14-28-37(35(27)44-7)49-22-48-28/h13-14,20-21,23-24,26,29,32-34,39H,9-12,15-19,22H2,1-8H3/t24-,26+,29-,32+,33-,34-,39-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCCO)[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCC1=CC(=C(C=C1C9)OC)OC
InChI: InChI=1S/C59H56N4O10/c1-37(39-18-7-4-8-19-39)60-58(69)62-46-27-26-38(17-15-16-30-64)33-45(46)59(57(62)68)50(55(66)61-29-28-42-34-48(70-2)49(71-3)35-43(42)36-61)52-56(67)73-53(41-22-11-6-12-23-41)51(40-20-9-5-10-21-40)63(52)54(59)44-24-13-14-25-47(44)72-32-31-65/h4-14,18-27,33-35,37,50-54,64-65H,16,28-32,36H2,1-3H3,(H,60,69)/t37-,50+,51+,52+,53-,54-,59+/m1/s1
SMILES: C1CC[NH+]2CCC[C@H]([C@H]2C1)COC(=O)NS(=O)(=O)OC3=CC=CC=C3
InChI: InChI=1S/C17H24N2O5S/c20-17(18-25(21,22)24-15-8-2-1-3-9-15)23-13-14-7-6-12-19-11-5-4-10-16(14)19/h1-3,8-9,14,16H,4-7,10-13H2,(H,18,20)/p+1/t14-,16+/m0/s1
SMILES: CC(=O)N([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4
InChI: InChI=1S/C30H30BrN3O11/c1-15(35)33(34-28(20-9-7-6-8-10-20)32-23-12-11-21(31)13-22(23)29(34)40)30-27(44-19(5)39)26(43-18(4)38)25(42-17(3)37)24(45-30)14-41-16(2)36/h6-13,24-27,30H,14H2,1-5H3/t24-,25-,26+,27-,30-/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1[C@@]4(C[C@H](O3)O)C5=CC=CC=C5N=C4[C@](C2)(C(=O)OC)Cl
InChI: InChI=1S/C21H25ClN2O4/c1-3-19-9-6-10-24-17(19)20(11-15(25)28-24)13-7-4-5-8-14(13)23-16(20)21(22,12-19)18(26)27-2/h4-5,7-8,15,17,25H,3,6,9-12H2,1-2H3/t15-,17-,19-,20-,21+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)SCCC#N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H23NO9S/c1-9(19)23-8-13-14(24-10(2)20)15(25-11(3)21)16(26-12(4)22)17(27-13)28-7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4
InChI: InChI=1S/C24H27N3O3S/c1-16-8-6-11-20(17(16)2)25-22(28)15-30-24(29)19-14-27(18-9-4-3-5-10-18)26-23(19)21-12-7-13-31-21/h3-5,7,9-10,12-14,16-17,20H,6,8,11,15H2,1-2H3,(H,25,28)/t16-,17-,20-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C17H22F3N3O2S/c1-10-4-3-5-14(11(10)2)21-16(26)23-22-15(24)12-6-8-13(9-7-12)25-17(18,19)20/h6-11,14H,3-5H2,1-2H3,(H,22,24)(H2,21,23,26)/t10-,11-,14+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN(C)CC=C
InChI: InChI=1S/C30H36F3N3O5/c1-4-14-35(3)17-25-19(2)26(21-12-10-20(18-37)11-13-21)41-28(40-25)22-7-5-8-23(16-22)34-27(38)24-9-6-15-36(24)29(39)30(31,32)33/h4-5,7-8,10-13,16,19,24-26,28,37H,1,6,9,14-15,17-18H2,2-3H3,(H,34,38)/t19-,24-,25+,26+,28+/m0/s1
SMILES: C1CC[C@]2(CCN([C@@H]([C@H]2C1)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5F)O
InChI: InChI=1S/C23H26FNO3/c24-19-7-2-1-5-17(19)14-25-12-11-23(26)10-4-3-6-18(23)22(25)16-8-9-20-21(13-16)28-15-27-20/h1-2,5,7-9,13,18,22,26H,3-4,6,10-12,14-15H2/t18-,22-,23-/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@]4(C(=O)C(=C(C(=O)[C@]4([C@H]3C5=C(C(=CC=C5)F)O)Cl)Cl)Cl)Cl
InChI: InChI=1S/C21H14Cl4FN3O5/c1-27-18(33)28-6-5-8-11(29(28)19(27)34)7-20(24)16(31)13(22)14(23)17(32)21(20,25)12(8)9-3-2-4-10(26)15(9)30/h2-5,11-12,30H,6-7H2,1H3/t11-,12-,20-,21+/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]1C2=CC(=CC=C2)OC)O
InChI: InChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-10-6-9-14(19)15(18)12-7-5-8-13(11-12)21-4/h5,7-8,11,14-15,19H,6,9-10H2,1-4H3/t14-,15-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)OC)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C41H49NO15/c1-24(43)42-34-35(47)36(32(22-49-20-28-12-8-6-9-13-28)55-40(34)54-31-18-16-30(48-5)17-19-31)57-41-39(53-27(4)46)38(52-26(3)45)37(51-25(2)44)33(56-41)23-50-21-29-14-10-7-11-15-29/h6-19,32-41,47H,20-23H2,1-5H3,(H,42,43)/t32-,33-,34-,35-,36-,37+,38+,39-,40-,41+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H]2C3=CC=C(C=C3)SC)C#C[Si](C)(C)C
InChI: InChI=1S/C21H25NO2S2Si/c1-16-6-12-19(13-7-16)26(23,24)22-20(14-15-27(3,4)5)21(22)17-8-10-18(25-2)11-9-17/h6-13,20-21H,1-5H3/t20-,21+,22?/m0/s1
SMILES: C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@]4(CNCCO)O)C
InChI: InChI=1S/C22H39NO2/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,25)15-23-13-14-24/h16-19,23-25H,3-15H2,1-2H3/t16-,17-,18+,19-,20+,21-,22-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCCN6CC6)CCCCO)CCCCO)SC7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C48H56N2O6S/c1-2-27-54-48-45(57-39-20-18-35-14-6-7-15-36(35)29-39)32-43(49-55-33-34-12-4-3-5-13-34)41-30-37(16-8-10-25-51)40(17-9-11-26-52)46(47(41)48)42-31-38(19-21-44(42)56-48)53-28-24-50-22-23-50/h2-7,12-15,18-21,29-31,37,40,45-47,51-52H,1,8-11,16-17,22-28,32-33H2/t37-,40+,45-,46+,47+,48+/m0/s1
SMILES: CCC(CC)(CC#C[C@H]([C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O)O
InChI: InChI=1S/C30H46O4/c1-6-30(34,7-2)17-9-11-27(32)21(4)25-14-15-26-22(10-8-16-29(25,26)5)12-13-23-18-24(31)19-28(33)20(23)3/h12-13,21,24-28,31-34H,3,6-8,10,14-19H2,1-2,4-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-,28+,29-/m1/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C21H22N2O6/c1-13-8-19(24)17(18(13)11-23(27)28)10-21(26)29-12-20(25)22-16-7-6-14-4-2-3-5-15(14)9-16/h2-7,9,13,17-18H,8,10-12H2,1H3,(H,22,25)/t13-,17+,18+/m0/s1
SMILES: C=CCOC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CCOCCO)C(=O)C=CC6=CC=C(C=C6)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C48H63N3O12/c1-3-26-59-37-19-20-42-40(32-37)46-38(12-6-9-24-53)35(11-5-8-23-52)31-39-41(49-63-45-13-7-10-28-60-45)33-43(48(62-42,47(39)46)61-27-4-2)50(22-29-58-30-25-54)44(55)21-16-34-14-17-36(18-15-34)51(56)57/h3-4,14-21,31-32,35,38,43,45-47,52-54H,1-2,5-13,22-30,33H2/t35-,38+,43-,45?,46+,47+,48+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21-/m1/s1
SMILES: C1C[C@H]2[C@@](C1)(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4
InChI: InChI=1S/C15H19N5O3/c21-20(22)13-5-3-12(4-6-13)19-15(18-8-10-23-11-9-18)7-1-2-14(15)16-17-19/h3-6,14H,1-2,7-11H2/t14-,15+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)/C=C/C2=CC3=C(C(=C2)OC)OCCO3
InChI: InChI=1S/C21H27NO6/c1-14-5-3-4-6-16(14)22-19(23)13-28-20(24)8-7-15-11-17(25-2)21-18(12-15)26-9-10-27-21/h7-8,11-12,14,16H,3-6,9-10,13H2,1-2H3,(H,22,23)/b8-7+/t14-,16-/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H](N(C(=O)[C@@]23[C@@H](/C=C/CC/C(=C(\C=C\C3=O)/C)/O[Si](C)(C)C(C)(C)C)C=C1C[Si](C)(C)C)C(=O)C4=CC=CC=C4)CC5=CC=CC=C5
InChI: InChI=1S/C43H57NO4Si2/c1-30-25-26-38(45)43-35(23-17-18-24-37(30)48-50(9,10)42(3,4)5)28-34(29-49(6,7)8)31(2)39(43)36(27-32-19-13-11-14-20-32)44(41(43)47)40(46)33-21-15-12-16-22-33/h11-17,19-23,25-26,28,31,35-36,39H,18,24,27,29H2,1-10H3/b23-17+,26-25+,37-30+/t31-,35+,36+,39+,43-/m1/s1
SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1[C@H](CC[Se]C2=CC=CC=C2)NC(=O)OC(C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C28H38N2O3Se/c1-6-30(7-2)25(31)28(21-14-10-8-11-15-21)20-23(28)24(29-26(32)33-27(3,4)5)18-19-34-22-16-12-9-13-17-22/h8-17,23-24H,6-7,18-20H2,1-5H3,(H,29,32)/t23-,24-,28+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2CC(=C)CN3[C@H]2CCC3=O
InChI: InChI=1S/C16H19NO3S/c1-11-3-5-13(6-4-11)21(19,20)15-9-12(2)10-17-14(15)7-8-16(17)18/h3-6,14-15H,2,7-10H2,1H3/t14-,15+/m0/s1
SMILES: CCOC(=O)C1=C(N([C@H]2[C@@H]1COC3=CC=CC=C23)C4=CC=CC=C4)F
InChI: InChI=1S/C20H18FNO3/c1-2-24-20(23)17-15-12-25-16-11-7-6-10-14(16)18(15)22(19(17)21)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3/t15-,18-/m1/s1
SMILES: CC(C)(C)OC(=O)/C(=C/C1=CC=C(C=C1)OCOCC[Si](C)(C)C)/O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C43H82O10Si4/c1-40(2,3)51-38(45)33(28-31-22-24-32(25-23-31)47-30-46-26-27-54(13,14)15)49-39-37(53-57(20,21)43(10,11)12)35(44)36(52-56(18,19)42(7,8)9)34(50-39)29-48-55(16,17)41(4,5)6/h22-25,28,34-37,39,44H,26-27,29-30H2,1-21H3/b33-28-/t34-,35+,36-,37-,39-/m1/s1
SMILES: C(CCC[C@H]([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O)CCCC(=O)CCCCO
InChI: InChI=1S/C18H35NO6/c20-11-7-6-9-13(22)8-4-2-1-3-5-10-15(23)16-18(25)17(24)14(12-21)19-16/h14-21,23-25H,1-12H2/t14-,15-,16-,17-,18-/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)CCOCCOCCO
InChI: InChI=1S/C28H36N4O10/c1-2-39-28-21(7-11-37-13-14-38-12-10-33)22(19-3-5-23-24(15-19)41-18-40-23)16-25(42-28)27(34)30-9-8-29-26-6-4-20(17-31-26)32(35)36/h3-6,15-17,21-22,28,33H,2,7-14,18H2,1H3,(H,29,31)(H,30,34)/t21-,22-,28-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=S)C=N[C@@H]3CCCC[C@H]3[NH3+]
InChI: InChI=1S/C18H22N4O3S/c1-25-12-8-6-11(7-9-12)22-17(24)13(16(23)21-18(22)26)10-20-15-5-3-2-4-14(15)19/h6-10,13-15H,2-5,19H2,1H3,(H,21,23,26)/p+1/t13-,14-,15-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C(=CC=C2)Cl)Cl
InChI: InChI=1S/C17H21Cl2NO3/c1-10-5-3-8-14(11(10)2)20-15(21)9-23-17(22)12-6-4-7-13(18)16(12)19/h4,6-7,10-11,14H,3,5,8-9H2,1-2H3,(H,20,21)/t10-,11+,14+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@@H]6CC[C@H]7C[C@@H]6C7(C)C)C[C@@H](CO)O)O)C(=C5)C(=O)C8=CC=CO8)O)C
InChI: InChI=1S/C40H57NO6/c1-35(2)26-8-7-25(29(35)18-26)21-41(22-28(44)23-42)24-39(46)14-11-33-37(39,4)13-10-32-36(3)12-9-27(43)19-38(36)15-16-40(32,33)30(20-38)34(45)31-6-5-17-47-31/h5-6,15-17,20,25-29,32-33,42-44,46H,7-14,18-19,21-24H2,1-4H3/t25-,26-,27?,28-,29-,32+,33+,36+,37-,38-,39+,40+/m0/s1
SMILES: COC(=O)[C@@H]1CS[C@@H]2N1C(=O)C([C@H]([C@@H]2O)O)N=[N+]=[N-]
InChI: InChI=1S/C9H12N4O5S/c1-18-9(17)3-2-19-8-6(15)5(14)4(11-12-10)7(16)13(3)8/h3-6,8,14-15H,2H2,1H3/t3-,4?,5+,6-,8-/m0/s1
SMILES: C1[C@H]([C@H](C[C@H]([C@H]1O)O)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C22H26N2O6/c25-19-11-17(23-21(27)29-13-15-7-3-1-4-8-15)18(12-20(19)26)24-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-20,25-26H,11-14H2,(H,23,27)(H,24,28)/t17-,18+,19+,20-
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C
InChI: InChI=1S/C20H31N3O2S2/c1-15-8-4-5-9-18(15)21-20(26)22-19-14-17(11-10-16(19)2)27(24,25)23-12-6-3-7-13-23/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H2,21,22,26)/t15-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NNC(=N2)C3=CC=CS3
InChI: InChI=1S/C16H21N5O2S2/c1-10-5-2-3-6-11(10)17-15(23)18-13(22)9-25-16-19-14(20-21-16)12-7-4-8-24-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,20,21)(H2,17,18,22,23)/t10-,11+/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O)O)OCCCO)O
InChI: InChI=1S/C21H42N4O11/c1-7-12(27)18(32-4-2-3-26)16(31)21(33-7)36-19-13(28)8(23)5-9(24)17(19)35-20-11(25)15(30)14(29)10(6-22)34-20/h7-21,26-31H,2-6,22-25H2,1H3/t7-,8-,9+,10-,11-,12-,13+,14-,15-,16-,17-,18-,19-,20-,21+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C=CC6=CC(=C(C=C6)O)OC)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C45H39NO6/c1-3-27-14-18-31(19-15-27)46-43(50)33-21-20-32-35(41(33)44(46)51)25-37-42(49)34(29-10-6-4-7-11-29)26-40(48)45(37,30-12-8-5-9-13-30)36(32)22-16-28-17-23-38(47)39(24-28)52-2/h4-20,22-24,26,33,35-37,41,47H,3,21,25H2,1-2H3/t33-,35+,36-,37-,41-,45-/m0/s1
SMILES: CC(C)(C)OC(=O)OC1=CC2=C(C=C1)[C@H](C[C@H](O2)O[C@H]3CCCC[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C32H36O5/c1-32(2,3)37-31(33)34-24-18-19-26-27(23-14-8-5-9-15-23)21-30(36-29(26)20-24)35-28-17-11-10-16-25(28)22-12-6-4-7-13-22/h4-9,12-15,18-20,25,27-28,30H,10-11,16-17,21H2,1-3H3/t25-,27-,28+,30+/m1/s1
SMILES: CC(=O)O[C@@H]1CCC2=CC(=C(C=C2)OC)C3=C(C=CC(=C3)[C@H]4C[C@H]([C@H]([C@H]5N4[C@H](C1)CCC5)O)OC(=O)C)OC
InChI: InChI=1S/C31H39NO7/c1-18(33)38-23-11-8-20-9-12-28(36-3)24(14-20)25-15-21(10-13-29(25)37-4)27-17-30(39-19(2)34)31(35)26-7-5-6-22(16-23)32(26)27/h9-10,12-15,22-23,26-27,30-31,35H,5-8,11,16-17H2,1-4H3/t22-,23+,26-,27+,30+,31-/m0/s1
SMILES: CCCCCCCCCCCCC(CC(=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)OC(=O)CC(C)CC(=O)OC5C(C(C(C(O5)C)OC)OC)OC
InChI: InChI=1S/C53H87N5O22/c1-10-11-12-13-14-15-16-17-18-19-20-30(75-34(60)23-28(2)24-35(61)78-52-47(72-8)46(71-7)43(70-6)29(3)74-52)25-36(62)76-32-27-56(4)38(48(67)57(5)37(32)50(68)73-9)44(80-51-42(66)39(63)31(26-54)77-51)45-40(64)41(65)49(79-45)58-22-21-33(59)55-53(58)69/h21-22,28-32,37-47,49,51-52,63-66H,10-20,23-27,54H2,1-9H3,(H,55,59,69)/t28?,29?,30?,31-,32+,37?,38?,39-,40+,41-,42-,43?,44-,45?,46?,47?,49?,51?,52?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H36O18/c1-10(27)35-8-17-20(21(38-13(4)30)23(25(34)42-17)40-15(6)32)44-26-24(41-16(7)33)22(39-14(5)31)19(37-12(3)29)18(43-26)9-36-11(2)28/h17-26,34H,8-9H2,1-7H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
SMILES: COC(=O)[C@@]1(C[C@@H]2[C@H](C=C1)O[C@@H](O2)C3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C23H22O7/c1-26-21(24)23(30-22(25)27-15-16-8-4-2-5-9-16)13-12-18-19(14-23)29-20(28-18)17-10-6-3-7-11-17/h2-13,18-20H,14-15H2,1H3/t18-,19+,20-,23+/m0/s1
SMILES: CCCC[C@H](C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C(=O)[C@@H]5[C@H](C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI: InChI=1S/C43H35NO5/c1-2-3-17-35(40(45)28-20-18-27(19-21-28)26-11-5-4-6-12-26)49-43(48)29-22-24-30(25-23-29)44-41(46)38-36-31-13-7-8-14-32(31)37(39(38)42(44)47)34-16-10-9-15-33(34)36/h4-16,18-25,35-39H,2-3,17H2,1H3/t35-,36?,37?,38-,39+/m1/s1
SMILES: COCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@@]4([C@@H]2C1=O)C5=C(C(=CC=C5)Cl)NC4=O
InChI: InChI=1S/C19H20ClN3O4/c1-27-9-8-22-16(24)13-12-6-3-7-23(12)19(14(13)17(22)25)10-4-2-5-11(20)15(10)21-18(19)26/h2,4-5,12-14H,3,6-9H2,1H3,(H,21,26)/t12-,13-,14+,19-/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C15H15NO4/c1-8-3-2-4-9(7-8)16-14(17)12-10-5-6-11(20-10)13(12)15(18)19/h2-7,10-13H,1H3,(H,16,17)(H,18,19)/t10-,11+,12+,13+/m1/s1
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C=C(C2)C(=C)COCC(=O)OC)O)O
InChI: InChI=1S/C24H38O5/c1-6-7-10-24(3,4)22(26)9-8-19-20-12-17(11-18(20)13-21(19)25)16(2)14-29-15-23(27)28-5/h8-9,12,18-22,25-26H,2,6-7,10-11,13-15H2,1,3-5H3/b9-8+/t18-,19+,20-,21+,22+/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)OC
InChI: InChI=1S/C41H56N2O8S/c1-6-21-43(40(46)47-4)37-27-35(42-49-8-3)33-25-28(13-9-11-22-44)32(14-10-12-23-45)38-34-26-30(50-29-15-18-31(52-5)19-16-29)17-20-36(34)51-41(37,39(33)38)48-24-7-2/h7,15-20,25-26,28,32,37-39,44-45H,2,6,8-14,21-24,27H2,1,3-5H3/t28-,32+,37-,38+,39+,41+/m0/s1
SMILES: C1[C@H](C[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)O[C@@H](CC2=CC=CC=C2)CO)O
InChI: InChI=1S/C15H23O8P/c16-9-12(6-10-4-2-1-3-5-10)22-14-8-11(17)7-13(18)15(14)23-24(19,20)21/h1-5,11-18H,6-9H2,(H2,19,20,21)/t11-,12+,13-,14-,15-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)OCC=C)CN4CCOCC4
InChI: InChI=1S/C27H34N2O6/c1-3-13-33-27(31)28-23-6-4-5-22(16-23)26-34-24(17-29-11-14-32-15-12-29)19(2)25(35-26)21-9-7-20(18-30)8-10-21/h3-10,16,19,24-26,30H,1,11-15,17-18H2,2H3,(H,28,31)/t19-,24+,25+,26+/m1/s1