EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC(=C7)OC)O)Cl)CBr)Cl
InChI: InChI=1S/C38H33BrCl2N2O8/c1-49-23-11-15-30(51-3)21(16-23)7-4-20-5-8-22(9-6-20)43-33(45)26-13-12-25-28(31(26)34(43)46)18-37(40)35(47)42(19-39)36(48)38(37,41)32(25)27-17-24(50-2)10-14-29(27)44/h4-12,14-17,26,28,31-32,44H,13,18-19H2,1-3H3/t26-,28+,31-,32+,37+,38-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C25H29NO6/c1-25(2,3)32-24(29)26-15-14-21(31-23(28)19-12-8-5-9-13-19)20(16-26)17-30-22(27)18-10-6-4-7-11-18/h4-13,20-21H,14-17H2,1-3H3/t20-,21+/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)Cl)C
InChI: InChI=1S/C29H24ClN3O3/c1-16-7-12-22(17(2)15-16)33-28(35)23-24(29(33)36)26(27(34)31-20-10-8-19(30)9-11-20)32-14-13-18-5-3-4-6-21(18)25(23)32/h3-15,23-26H,1-2H3,(H,31,34)/t23-,24+,25+,26-/m0/s1
SMILES: CCCO/N=C(/C1=CSC(=N1)NC(=O)CCl)\C(=O)N[C@@H]2[C@@H](NC2=O)C(=O)OC
InChI: InChI=1S/C15H18ClN5O6S/c1-3-4-27-21-9(7-6-28-15(17-7)18-8(22)5-16)12(23)19-10-11(14(25)26-2)20-13(10)24/h6,10-11H,3-5H2,1-2H3,(H,19,23)(H,20,24)(H,17,18,22)/b21-9-/t10-,11-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=NNC3=CC=CC=C32
InChI: InChI=1S/C17H23N5OS/c1-10-6-5-9-13(11(10)2)18-17(24)22-21-16(23)15-12-7-3-4-8-14(12)19-20-15/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,19,20)(H,21,23)(H2,18,22,24)/t10-,11-,13+/m1/s1
SMILES: CC1=C2C[C@@H]3C(=C)CCC[C@]3(C[C@@]2(OC1=O)[C@]45C[C@@]6(CCCC(=C)[C@H]6CC4=C(C(=O)O5)C)C)C
InChI: InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22-,27+,28+,29+,30+/m1/s1
SMILES: CC1=CN=NN1C[C@]2([C@@H](N3[C@H](S2(=O)=O)CC3=O)C(=O)O)C
InChI: InChI=1S/C11H14N4O5S/c1-6-4-12-13-14(6)5-11(2)9(10(17)18)15-7(16)3-8(15)21(11,19)20/h4,8-9H,3,5H2,1-2H3,(H,17,18)/t8-,9+,11+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C[NH+]3CCC4=CC=CC=C4C3
InChI: InChI=1S/C18H22N2O2/c21-17-15-7-3-4-8-16(15)18(22)20(17)12-19-10-9-13-5-1-2-6-14(13)11-19/h1-2,5-6,15-16H,3-4,7-12H2/p+1/t15-,16-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)C=C)O
InChI: InChI=1S/C42H33Cl2F3N4O6/c1-3-21-5-12-26(13-6-21)50-37(53)28-15-14-27-29(34(28)39(50)55)19-30-38(54)51(49-36-31(44)18-24(20-48-36)42(45,46)47)40(56)41(30,23-8-10-25(43)11-9-23)35(27)22-7-16-32(52)33(17-22)57-4-2/h3,5-14,16-18,20,28-30,34-35,52H,1,4,15,19H2,2H3,(H,48,49)/t28-,29+,30-,34-,35-,41+/m0/s1
SMILES: C1=CC=C2C(=C1)C3([C@@H]4[C@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)O)Br
InChI: InChI=1S/C25H15Br2NO4/c26-24-15-5-1-2-6-16(15)25(27,18-8-4-3-7-17(18)24)20-19(24)21(29)28(22(20)30)14-11-9-13(10-12-14)23(31)32/h1-12,19-20H,(H,31,32)/t19-,20+,24?,25?
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NC(=C(C(=C2C#N)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Br)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C38H33BrN4O9S/c1-21(44)48-20-30-34(49-22(2)45)35(50-23(3)46)36(51-24(4)47)38(52-30)53-37-29(19-40)31(25-11-7-5-8-12-25)33(32(41-37)26-13-9-6-10-14-26)43-42-28-17-15-27(39)16-18-28/h5-18,30,34-36,38H,20H2,1-4H3/t30-,34-,35+,36-,38+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCSS(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H26O12S2/c1-9(18)25-8-13-14(26-10(2)19)15(27-11(3)20)16(28-12(4)21)17(29-13)24-6-7-30-31(5,22)23/h13-17H,6-8H2,1-5H3/t13-,14+,15+,16-,17-/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)N4C(=O)C5=CC=CC=C5C4=O)CN(C)CC=C
InChI: InChI=1S/C31H32N2O5/c1-4-16-32(3)18-27-20(2)28(22-14-12-21(19-34)13-15-22)38-31(37-27)23-8-7-9-24(17-23)33-29(35)25-10-5-6-11-26(25)30(33)36/h4-15,17,20,27-28,31,34H,1,16,18-19H2,2-3H3/t20-,27+,28+,31+/m0/s1
SMILES: CCOC(=O)[C@H](C)OC(=O)[C@@H]1[C@@H]2C3=CC4=C(C=C3[C@]([C@H]1C(=O)O[C@@H](C)C(=O)OCC)(OC2=O)C5=CC(=C(C(=C5)OC)OC)OC)OCO4
InChI: InChI=1S/C33H36O15/c1-8-42-28(34)15(3)46-30(36)25-24-18-12-20-21(45-14-44-20)13-19(18)33(48-31(24)37,26(25)32(38)47-16(4)29(35)43-9-2)17-10-22(39-5)27(41-7)23(11-17)40-6/h10-13,15-16,24-26H,8-9,14H2,1-7H3/t15-,16-,24-,25+,26+,33+/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)COCC(=O)[O-])N2C3=CC=CC=C3
InChI: InChI=1S/C15H16N2O6S2/c18-13(6-23-7-14(19)20)16-15-17(10-4-2-1-3-5-10)11-8-25(21,22)9-12(11)24-15/h1-5,11-12H,6-9H2,(H,19,20)/p-1/t11-,12+/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)OC
InChI: InChI=1S/C14H20N2O4S/c1-9-7-11(9)14(17)15-12-8-10(5-6-13(12)20-4)21(18,19)16(2)3/h5-6,8-9,11H,7H2,1-4H3,(H,15,17)/t9-,11-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H]3[C@@H](CO[Si](O3)(C(C)(C)C)C(C)(C)C)O[C@@H]2O1)O)C
InChI: InChI=1S/C17H32O6Si/c1-15(2,3)24(16(4,5)6)19-9-10-12(23-24)11(18)13-14(20-10)22-17(7,8)21-13/h10-14,18H,9H2,1-8H3/t10-,11+,12-,13-,14-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1O)C(=O)OC)OCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C24H28O9/c1-15(25)32-22-20(30-13-16-7-5-4-6-8-16)19(21(23(26)29-3)33-24(22)27)31-14-17-9-11-18(28-2)12-10-17/h4-12,19-22,24,27H,13-14H2,1-3H3/t19-,20-,21+,22+,24-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCCN)N=[N+]=[N-]
InChI: InChI=1S/C12H19N6O7P/c1-7-5-18(12(20)15-11(7)19)10-4-8(16-17-14)9(25-10)6-24-26(21,22)23-3-2-13/h5,8-10H,2-4,6,13H2,1H3,(H,21,22)(H,15,19,20)/t8-,9+,10+/m0/s1
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C20H26N2O5S/c1-14-10-12-22(13-11-14)28(26,27)16-8-6-15(7-9-16)21-19(23)17-4-2-3-5-18(17)20(24)25/h2-3,6-9,14,17-18H,4-5,10-13H2,1H3,(H,21,23)(H,24,25)/p-1/t17-,18+/m0/s1
SMILES: C[C@]12C[C@H]3CC[C@H](C[C@H]3C[C@@H]1CC[C@@H]2C#N)CCO
InChI: InChI=1S/C17H27NO/c1-17-10-13-3-2-12(6-7-19)8-14(13)9-15(17)4-5-16(17)11-18/h12-16,19H,2-10H2,1H3/t12-,13+,14-,15-,16+,17-/m0/s1
SMILES: CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@H]2[C@@H]3C([C@@H]4[C@H](C2OC(O3)O4)OC(=O)[C@H](C5=CC=CC=C5)OC(=O)C)OP(=O)(O)O
InChI: InChI=1S/C27H27O15P/c1-13(28)35-17(15-9-5-3-6-10-15)25(30)37-19-21-20(23-24(42-43(32,33)34)22(19)40-27(39-21)41-23)38-26(31)18(36-14(2)29)16-11-7-4-8-12-16/h3-12,17-24,27H,1-2H3,(H2,32,33,34)/t17-,18-,19-,20+,21?,22-,23+,24?,27?/m0/s1
SMILES: C[C@@H](/C=C(\C)/COC(=O)C)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H31N5O9/c1-12(8-34-14(3)30)7-13(2)28-22-19-23(26-10-25-22)29(11-27-19)24-21(37-17(6)33)20(36-16(5)32)18(38-24)9-35-15(4)31/h7,10-11,13,18,20-21,24H,8-9H2,1-6H3,(H,25,26,28)/b12-7+/t13-,18+,20+,21+,24+/m0/s1
SMILES: COC(=O)N[C@H]1CSC[C@H]1OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C20H24N2O6S/c1-27-20(26)21-15-11-29-12-16(15)28-17(23)9-3-2-6-10-22-18(24)13-7-4-5-8-14(13)19(22)25/h4-5,7-8,15-16H,2-3,6,9-12H2,1H3,(H,21,26)/t15-,16+/m0/s1
SMILES: CC[C@H]1[C@@H](C[C@@H](N[C@H]1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C21H27NO3/c1-4-18-20(23)13-19(14-5-9-16(24-2)10-6-14)22-21(18)15-7-11-17(25-3)12-8-15/h5-12,18-23H,4,13H2,1-3H3/t18-,19+,20+,21-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChI: InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14?,15?,16?,17-,18-,19-,20+,21-,23+,24-/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@H]([C@H]2CC(=O)NCC3=CC(=CC(=C3)F)F)O)(C)CO)OC(=O)NC4=CC(=CC(=C4)OC)OC
InChI: InChI=1S/C31H40F2N2O7/c1-30-8-7-27(42-29(39)35-21-12-22(40-3)14-23(13-21)41-4)31(2,17-36)26(30)6-5-25(37)24(30)15-28(38)34-16-18-9-19(32)11-20(33)10-18/h9-14,24-27,36-37H,5-8,15-17H2,1-4H3,(H,34,38)(H,35,39)/t24-,25-,26+,27-,30+,31+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCC(=O)OC5=CC6=C(C=C5)[C@H]7CC[C@]8([C@H]([C@@H]7CC6)CC[C@]8(C#C)O)C
InChI: InChI=1S/C44H50O6/c1-5-43(47)23-19-37-35-11-7-27-25-29(9-13-31(27)33(35)17-21-41(37,43)3)49-39(45)15-16-40(46)50-30-10-14-32-28(26-30)8-12-36-34(32)18-22-42(4)38(36)20-24-44(42,48)6-2/h1-2,9-10,13-14,25-26,33-38,47-48H,7-8,11-12,15-24H2,3-4H3/t33-,34-,35-,36-,37+,38+,41+,42+,43+,44+/m1/s1
SMILES: CC(=N[C@@H](CS)C(=O)N[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-])C
InChI: InChI=1S/C12H19N3O6S/c1-6(2)13-8(5-22)12(16)14-7-3-19-11-9(21-15(17)18)4-20-10(7)11/h7-11,22H,3-5H2,1-2H3,(H,14,16)/t7-,8+,9+,10-,11-/m1/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC=C(C=C3)F)C(=O)CCCCC=C)C(=O)NCCO
InChI: InChI=1S/C31H38FIN2O7/c1-3-4-5-6-7-28(38)35(18-20-8-10-23(32)11-9-20)25-16-22(31(40)34-12-13-36)17-26(29(25)39)42-30-24(33)14-21(19-37)15-27(30)41-2/h3,8-11,14-15,17,25-26,29,36-37,39H,1,4-7,12-13,16,18-19H2,2H3,(H,34,40)/t25-,26+,29+/m1/s1
SMILES: CCCCCCCC/C=C\CCCCCCCCC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCC/C=C\CCCCCCCC
InChI: InChI=1S/C53H96O18S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(56)65-39-41(67-45(57)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-66-52-48(60)47(59)50(43(38-55)69-52)70-53-49(61)51(71-72(62,63)64)46(58)42(37-54)68-53/h17-20,41-43,46-55,58-61H,3-16,21-40H2,1-2H3,(H,62,63,64)/b19-17-,20-18-/t41?,42-,43-,46+,47-,48-,49-,50+,51+,52-,53+/m1/s1
SMILES: CC1=CC2([C@@H]3CC=C[C@@H]([C@@H]3C1=O)OC)OCC(CO2)(C)C
InChI: InChI=1S/C17H24O4/c1-11-8-17(20-9-16(2,3)10-21-17)12-6-5-7-13(19-4)14(12)15(11)18/h5,7-8,12-14H,6,9-10H2,1-4H3/t12-,13+,14-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@@H]1[C@@H](C)C=O)(C)C)CC[C@H](C)C=C
InChI: InChI=1S/C16H28O3/c1-7-11(2)8-9-14-13(4)15(12(3)10-17)19-16(5,6)18-14/h7,10-15H,1,8-9H2,2-6H3/t11-,12+,13+,14-,15-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)NC6=CC=CC=C6
InChI: InChI=1S/C28H26N2O8/c1-34-21-8-14(9-22(35-2)26(21)31)23-16-10-19-20(38-13-37-19)11-17(16)25(18-12-36-27(32)24(18)23)30-28(33)29-15-6-4-3-5-7-15/h3-11,18,23-25,31H,12-13H2,1-2H3,(H2,29,30,33)/t18-,23+,24-,25+/m0/s1
SMILES: CCN(CC)C(=S)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)SC)N(C1)C
InChI: InChI=1S/C21H30N4S2/c1-5-25(6-2)21(26)22-13-10-15-14-8-7-9-17-19(14)16(20(23-17)27-4)11-18(15)24(3)12-13/h7-9,13,15,18,23H,5-6,10-12H2,1-4H3,(H,22,26)/t13-,15+,18+/m0/s1
SMILES: CC(C)C[C@@H]([C@H]([C@@H]1CCO[C@@H]1C(=O)OC)O[Si](C)(C)C(C)(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI: InChI=1S/C32H49NO4Si/c1-24(2)21-28(33(22-25-15-11-9-12-16-25)23-26-17-13-10-14-18-26)29(37-38(7,8)32(3,4)5)27-19-20-36-30(27)31(34)35-6/h9-18,24,27-30H,19-23H2,1-8H3/t27-,28-,29-,30-/m0/s1
SMILES: C1=CC(=CC=C1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O
InChI: InChI=1S/C14H19NO6/c16-6-9-10(12(18)13(19)11(9)17)15-5-7-1-3-8(4-2-7)14(20)21/h1-4,9-13,15-19H,5-6H2,(H,20,21)/t9-,10+,11+,12-,13-/m0/s1
SMILES: CCCCCS(=O)(=O)N(CC)CCN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C28H38N2O7S/c1-4-6-7-16-38(33,34)30(5-2)15-14-29-18-23(21-10-13-24-25(17-21)37-19-36-24)26(28(31)32)27(29)20-8-11-22(35-3)12-9-20/h8-13,17,23,26-27H,4-7,14-16,18-19H2,1-3H3,(H,31,32)/t23-,26-,27+/m1/s1
SMILES: CC1=CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)NC(=O)C)C(=O)O
InChI: InChI=1S/C17H20N2O4/c1-10-3-8-14(17(22)23)15(9-10)16(21)19-13-6-4-12(5-7-13)18-11(2)20/h3-7,14-15H,8-9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t14-,15+/m1/s1
SMILES: CC1=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)[C@H](C1)OC(=O)C)O)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C26H38O7/c1-13-11-19(32-16(4)28)23-24(30)22-14(2)18(31-15(3)27)9-10-26(22,8)12-20(33-17(5)29)21(13)25(23,6)7/h18-20,22-24,30H,2,9-12H2,1,3-8H3/t18-,19-,20-,22-,23-,24-,26-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9-,10-,11+,12-/m0/s1
SMILES: CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C
InChI: InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(43-31-30(41)29(40)28(39)23(19-37)44-31)18-25-33(5)15-13-26(38)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,30+,31+,33-,34+,35+,36-/m0/s1
SMILES: CCCC[C@H]1[C@@H](OC(O1)(C)C)[C@@H](C2=CC=CO2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H36O4Si/c1-9-10-12-16-17(23-20(5,6)22-16)18(15-13-11-14-21-15)24-25(7,8)19(2,3)4/h11,13-14,16-18H,9-10,12H2,1-8H3/t16-,17+,18+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)[N+](=O)[O-]
InChI: InChI=1S/C16H14N2O4/c1-8-2-5-11(7-12(8)18(21)22)17-15(19)13-9-3-4-10(6-9)14(13)16(17)20/h2-5,7,9-10,13-14H,6H2,1H3/t9-,10+,13+,14-
SMILES: CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](COP(=O)(O)O)O)O)(C(=O)O)O)O
InChI: InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6+,7+,8+,9+,11?/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)SCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H35N3O7SSi/c1-15(33-35(5,6)23(2,3)4)20-18(25-21(20)28)13-19(27)34-12-11-24-22(29)32-14-16-7-9-17(10-8-16)26(30)31/h7-10,15,18,20H,11-14H2,1-6H3,(H,24,29)(H,25,28)/t15-,18-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)CCNC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5C=COCCO)OC(O4)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C45H53N3O12/c1-43(2,3)57-36(52)19-18-33(28-50)47-35(51)20-22-46-42(54)44-26-34-37-38(59-45(58-37,31-14-6-4-7-15-31)32-16-8-5-9-17-32)40(44)60-48(39(44)41(53)56-34)27-30-13-11-10-12-29(30)21-24-55-25-23-49/h4-17,21,24,33-34,37-40,49-50H,18-20,22-23,25-28H2,1-3H3,(H,46,54)(H,47,51)/t33-,34+,37-,38-,39-,40+,44-/m0/s1
SMILES: CC1(CC(CC1S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC3CCC3)C
InChI: InChI=1S/C17H31NO5S/c1-17(2)7-10(18-9-4-3-5-9)6-12(17)24-16-15(22)14(21)13(20)11(8-19)23-16/h9-16,18-22H,3-8H2,1-2H3/t10?,11-,12?,13+,14+,15-,16+/m1/s1
SMILES: CCCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCC3=CC=CC=C3
InChI: InChI=1S/C23H26N2O4/c1-3-14-28-19-12-8-7-11-18(19)21-20(16(2)24-23(27)25-21)22(26)29-15-13-17-9-5-4-6-10-17/h4-12,20-21H,2-3,13-15H2,1H3,(H2,24,25,27)/t20-,21+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2C[C@@H]1C(=O)[O-]
InChI: InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/p-1/t9-,10+,11+/m0/s1
SMILES: CCNC(=O)NCC1=CC(=CC=C1)C2=CC(=CC=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C37H44N6O4/c1-3-38-37(45)41-23-28-7-4-8-30(21-28)31-9-5-10-32(22-31)35-46-33(26(2)34(47-35)29-13-11-27(25-44)12-14-29)24-42-17-19-43(20-18-42)36-39-15-6-16-40-36/h4-16,21-22,26,33-35,44H,3,17-20,23-25H2,1-2H3,(H2,38,41,45)/t26-,33+,34+,35+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]3[C@@H](O3)[C@H](O2)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C33H38O9/c1-35-32-30(38-20-24-15-9-4-10-16-24)29(37-19-23-13-7-3-8-14-23)27(36-18-22-11-5-2-6-12-22)26(41-32)21-39-33-31-28(42-31)25(17-34)40-33/h2-16,25-34H,17-21H2,1H3/t25-,26-,27-,28+,29+,30+,31+,32+,33+/m1/s1
SMILES: CC[C@@H]1[C@H]([C@H](CCCC2(C(O2)C[C@H](OC(=O)C[C@@H](C3(C1=O)CCC3)O)/C(=C/C4=CC=CC=N4)/C)C)C)O
InChI: InChI=1S/C30H43NO6/c1-5-22-27(34)19(2)10-8-12-29(4)25(37-29)17-23(20(3)16-21-11-6-7-15-31-21)36-26(33)18-24(32)30(28(22)35)13-9-14-30/h6-7,11,15-16,19,22-25,27,32,34H,5,8-10,12-14,17-18H2,1-4H3/b20-16+/t19-,22+,23-,24-,25?,27-,29?/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3CCCC[C@@H]3[C@H]2O)[C@H](O1)OC
InChI: InChI=1S/C14H24O3/c1-8-12-11(14(16-2)17-8)7-9-5-3-4-6-10(9)13(12)15/h8-15H,3-7H2,1-2H3/t8-,9+,10-,11-,12-,13+,14-/m0/s1
SMILES: C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H](C1=O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(CC(=O)[C@@H]([C@H](O2)C(C)C)C)O)O)OC)/C
InChI: InChI=1S/C35H54O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-26,28,31-33,38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,28-,31+,32+,33+,35+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCN(C)CC4=CC=CC=C4)[C@]5(C2=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC(=CC=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O
InChI: InChI=1S/C55H50N4O8/c1-36(39-20-9-4-10-21-39)56-54(65)58-45-29-28-37(19-16-30-57(2)35-38-17-7-3-8-18-38)33-44(45)55(53(58)64)46(51(61)62)48-52(63)67-49(41-24-13-6-14-25-41)47(40-22-11-5-12-23-40)59(48)50(55)42-26-15-27-43(34-42)66-32-31-60/h3-15,17-18,20-29,33-34,36,46-50,60H,30-32,35H2,1-2H3,(H,56,65)(H,61,62)/t36-,46+,47+,48+,49-,50-,55+/m1/s1
SMILES: COCO[C@H]1CC[C@@H]2[C@@H]3CC4=C5[C@@]2([C@@H]1OC5=C(C=C4)OC)CNC3=O
InChI: InChI=1S/C19H23NO5/c1-22-9-24-14-6-4-12-11-7-10-3-5-13(23-2)16-15(10)19(12,17(14)25-16)8-20-18(11)21/h3,5,11-12,14,17H,4,6-9H2,1-2H3,(H,20,21)/t11-,12+,14-,17+,19+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)N
InChI: InChI=1S/C21H27NO5/c1-24-21-18(22)20(26-13-16-10-6-3-7-11-16)19(23)17(27-21)14-25-12-15-8-4-2-5-9-15/h2-11,17-21,23H,12-14,22H2,1H3/t17-,18-,19-,20-,21+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)[C@H]2C[C@H]2C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C20H28O2/c1-13(2)16-10-9-14(3)11-19(16)22-20(21)18-12-17(18)15-7-5-4-6-8-15/h4-8,13-14,16-19H,9-12H2,1-3H3/t14-,16+,17-,18-,19-/m0/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1
SMILES: COC1=CC=CC=C1CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO)C(=O)CCCCC=C
InChI: InChI=1S/C33H41IN2O8/c1-4-5-6-7-12-30(39)36(15-13-23-10-8-9-11-27(23)42-2)26-19-24(33(41)35-14-16-37)20-28(31(26)40)44-32-25(34)17-22(21-38)18-29(32)43-3/h4,8-11,17-18,20-21,26,28,31,37,40H,1,5-7,12-16,19H2,2-3H3,(H,35,41)/t26-,28+,31+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OC/C=C\CC#N
InChI: InChI=1S/C42H51N4O8P/c1-29(2)46(30(3)4)55(52-25-13-9-12-24-43)54-37-26-39(45-27-31(5)40(47)44-41(45)48)53-38(37)28-51-42(32-14-10-8-11-15-32,33-16-20-35(49-6)21-17-33)34-18-22-36(50-7)23-19-34/h8-11,13-23,27,29-30,37-39H,12,25-26,28H2,1-7H3,(H,44,47,48)/b13-9-/t37-,38+,39+,55?/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H]2C3=CC=CC=C3)C(=C)SC
InChI: InChI=1S/C20H23NO2S2/c1-15-9-11-18(12-10-15)25(22,23)21-14-13-19(16(2)24-3)20(21)17-7-5-4-6-8-17/h4-12,19-20H,2,13-14H2,1,3H3/t19-,20+/m0/s1
SMILES: CCCCCCCCCCCCCCCCS[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCCCCCCCCCCCC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H98N2O7S/c1-5-9-11-13-15-17-19-20-21-22-24-26-28-34-43-68-54-46-52(60-65-8-4)50-44-47(35-29-32-40-61)49(36-30-33-41-62)55-51-45-48(37-38-53(51)67-58(54,56(50)55)64-42-7-3)66-57(63)59-39-31-27-25-23-18-16-14-12-10-6-2/h7,37-38,44-45,47,49,54-56,61-62H,3,5-6,8-36,39-43,46H2,1-2,4H3,(H,59,63)/t47-,49+,54-,55+,56+,58+/m0/s1
SMILES: CC(=O)OCC1=CN(C(=O)N=C1N2C=NC=N2)[C@H]3C[C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H45N5O6Si2/c1-18(32)34-14-19-13-30(24(33)29-23(19)31-17-27-16-28-31)22-12-20(37-39(10,11)26(5,6)7)21(36-22)15-35-38(8,9)25(2,3)4/h13,16-17,20-22H,12,14-15H2,1-11H3/t20-,21+,22+/m0/s1
SMILES: C1COC2=C1C=C(C=C2)CCC(=O)C3=C(C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C23H26O9/c24-11-18-20(27)21(28)22(29)23(32-18)31-17-3-1-2-14(25)19(17)15(26)6-4-12-5-7-16-13(10-12)8-9-30-16/h1-3,5,7,10,18,20-25,27-29H,4,6,8-9,11H2/t18-,20-,21+,22-,23-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4C5([C@@]3(CC[C@@H](C5)OC(=O)C)C)C4(F)F)C
InChI: InChI=1S/C30H48F2O2/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26-29(30(26,31)32)17-21(34-20(4)33)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26?,27-,28-,29?/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(C)C
InChI: InChI=1S/C15H23N3O5/c1-10-6-4-5-7-15(10)13(21)18(14(22)16-15)8-12(20)23-9-11(19)17(2)3/h10H,4-9H2,1-3H3,(H,16,22)/t10-,15+/m1/s1
SMILES: C\1CN(C(=O)/C1=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)N)SC2)C(=O)O)C5=CC=CC=C5
InChI: InChI=1S/C23H20N6O6S2/c24-23-25-14(10-37-23)15(27-35)18(30)26-16-20(32)29-17(22(33)34)12(9-36-21(16)29)8-11-6-7-28(19(11)31)13-4-2-1-3-5-13/h1-5,8,10,16,21,35H,6-7,9H2,(H2,24,25)(H,26,30)(H,33,34)/b11-8+,27-15-/t16-,21-/m1/s1
SMILES: C[C@]12C[C@H]3CC[C@@H](C[C@@H]3C[C@@H]1CC=C2C#N)CCOCOC
InChI: InChI=1S/C19H29NO2/c1-19-11-15-4-3-14(7-8-22-13-21-2)9-16(15)10-17(19)5-6-18(19)12-20/h6,14-17H,3-5,7-11,13H2,1-2H3/t14-,15-,16-,17+,19+/m1/s1
SMILES: [2H][C@]1([C@H]2[C@@H](CO[Si](O[Si](O2)(C(C)C)C(C)C)(C(C)C)C(C)C)O[C@H]1N3C=CC4=C(N=CN=C43)N)O
InChI: InChI=1S/C23H40N4O5Si2/c1-13(2)33(14(3)4)29-11-18-20(31-34(32-33,15(5)6)16(7)8)19(28)23(30-18)27-10-9-17-21(24)25-12-26-22(17)27/h9-10,12-16,18-20,23,28H,11H2,1-8H3,(H2,24,25,26)/t18-,19-,20-,23-/m1/s1/i19D
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(S3)C4=CC=C(C=C4)NC(=O)C(F)F
InChI: InChI=1S/C19H19F2N3O2S/c20-17(21)19(26)23-11-3-1-10(2-4-11)15-7-8-16(27-15)18(25)24-14-9-12-5-6-13(14)22-12/h1-4,7-8,12-14,17,22H,5-6,9H2,(H,23,26)(H,24,25)/t12-,13+,14-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)CCCC(=O)[O-])NC3=NC=CC(=N3)C4=CC=CO4
InChI: InChI=1S/C19H22N4O6/c24-15(4-1-5-16(25)26)21-12-9-28-18-13(10-29-17(12)18)23-19-20-7-6-11(22-19)14-3-2-8-27-14/h2-3,6-8,12-13,17-18H,1,4-5,9-10H2,(H,21,24)(H,25,26)(H,20,22,23)/p-1/t12-,13-,17+,18+/m0/s1
SMILES: C1[C@H]([C@H](O[C@H]1N2C=C(C(=O)CC2=O)[80Br])CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C16H22BrNO10/c17-6-3-18(11(22)1-7(6)20)12-2-8(21)10(27-12)5-26-16-15(25)14(24)13(23)9(4-19)28-16/h3,8-10,12-16,19,21,23-25H,1-2,4-5H2/t8-,9-,10-,12-,13-,14+,15-,16-/m1/s1/i17+0
SMILES: C/C(=C\C1=C(C=C(C=C1)O[C@H]2C[C@@H]([C@H](O2)/C(=N/OCC3=CC4=C(C=C3)OCO4)/C)O)F)/C(=O)NC5=C(C6=C(C=C5O)OCO6)O
InChI: InChI=1S/C31H29FN2O11/c1-15(31(38)33-27-21(35)10-25-30(28(27)37)42-14-41-25)7-18-4-5-19(9-20(18)32)44-26-11-22(36)29(45-26)16(2)34-43-12-17-3-6-23-24(8-17)40-13-39-23/h3-10,22,26,29,35-37H,11-14H2,1-2H3,(H,33,38)/b15-7+,34-16+/t22-,26+,29+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C[C@@]5(C)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)O)C)C)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)O
InChI: InChI=1S/C52H64N4O6/c1-30(2)33-18-23-52(47(62)56-40(45(59)60)27-32-29-54-38-15-10-8-13-35(32)38)25-24-50(5)36(43(33)52)16-17-42-48(3)20-11-21-49(4,41(48)19-22-51(42,50)6)46(61)55-39(44(57)58)26-31-28-53-37-14-9-7-12-34(31)37/h7-15,21,28-29,33,36,39-43,53-54H,1,16-20,22-27H2,2-6H3,(H,55,61)(H,56,62)(H,57,58)(H,59,60)/t33-,36+,39-,40-,41+,42+,43+,48-,49+,50+,51+,52-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=CC=C4)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C40H27ClF6N2O5/c41-24-9-5-10-25(18-24)49-35(52)31-19-30-28(33(20-6-4-11-27(50)14-20)38(31,37(49)54)21-7-2-1-3-8-21)12-13-29-32(30)36(53)48(34(29)51)26-16-22(39(42,43)44)15-23(17-26)40(45,46)47/h1-12,14-18,29-33,50H,13,19H2/t29-,30+,31-,32-,33-,38+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@]3([C@H](CCC[C@@H]3[C@@]1(C)[C@@H]4C[C@H]5CCO[C@H]5O4)CO2)CO
InChI: InChI=1S/C20H32O4/c1-12-8-17-20(11-21)14(10-23-17)4-3-5-15(20)19(12,2)16-9-13-6-7-22-18(13)24-16/h12-18,21H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17+,18+,19+,20+/m1/s1
SMILES: CC(C)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=CC5=C(C=C4)N(C=N5)CCN(C)C
InChI: InChI=1S/C32H45N5O7S/c1-22(2)18-37(45(40,41)24-10-11-28-26(17-24)33-21-36(28)14-13-35(3)4)19-29(38)27(16-23-8-6-5-7-9-23)34-32(39)44-30-20-43-31-25(30)12-15-42-31/h5-11,17,21-22,25,27,29-31,38H,12-16,18-20H2,1-4H3,(H,34,39)/t25-,27-,29+,30-,31+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NC2=CC(=C(C=C2)C(=O)[O-])[N+](=O)[O-])O)O)O
InChI: InChI=1S/C13H16N2O8/c1-5-9(16)10(17)11(18)12(23-5)14-6-2-3-7(13(19)20)8(4-6)15(21)22/h2-5,9-12,14,16-18H,1H3,(H,19,20)/p-1/t5-,9-,10+,11+,12-/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)Cl
InChI: InChI=1S/C20H23ClN2O6/c1-28-16-7-6-12(10-15(16)21)22-17(24)11-29-18(25)8-9-23-19(26)13-4-2-3-5-14(13)20(23)27/h6-7,10,13-14H,2-5,8-9,11H2,1H3,(H,22,24)/t13-,14-/m0/s1