EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12C(CN([C@]1(C3=CC=CC=C3N2)C)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C20H22N2O2/c1-19-16(18(23)24-3)13-22(14-9-5-4-6-10-14)20(19,2)15-11-7-8-12-17(15)21-19/h4-12,16,21H,13H2,1-3H3/t16?,19-,20-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO)O
InChI: InChI=1S/C31H32O15/c1-41-18-6-12(2-4-15(18)34)29-22(11-33)43-17-5-3-13(7-19(17)44-29)30-27(39)25(37)23-16(35)8-14(9-20(23)45-30)42-31-28(40)26(38)24(36)21(10-32)46-31/h2-9,21-22,24,26-36,38-40H,10-11H2,1H3/t21-,22-,24-,26+,27+,28-,29-,30-,31-/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)N)N
InChI: InChI=1S/C11H14N6O5/c12-7-4-10(16-9(15-7)8(13)21)17(2-14-4)11-6(20)5(19)3(1-18)22-11/h2-3,5-6,11,18-20H,1H2,(H2,13,21)(H2,12,15,16)/t3-,5-,6-,11-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C([C@]4(CBr)O)Cl)C
InChI: InChI=1S/C21H28BrClO2/c1-19-9-7-14(24)11-13(19)3-4-15-16(19)8-10-20(2)17(15)5-6-18(23)21(20,25)12-22/h6,11,15-17,25H,3-5,7-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NNC(=O)C1=CC=CC=C1)N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C21H23N3O6/c1-11(24-19(27)16-13-7-8-14(9-13)17(16)20(24)28)21(29)30-10-15(25)22-23-18(26)12-5-3-2-4-6-12/h2-6,11,13-14,16-17H,7-10H2,1H3,(H,22,25)(H,23,26)/t11-,13-,14+,16-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)[C@H]4C[C@H]([C@@H](C[C@@H]4C3=O)Br)Br
InChI: InChI=1S/C21H19Br2NO3/c1-12-2-6-14(7-3-12)27-15-8-4-13(5-9-15)24-20(25)16-10-18(22)19(23)11-17(16)21(24)26/h2-9,16-19H,10-11H2,1H3/t16-,17-,18+,19+/m0/s1
SMILES: CCC1=CC2=C(C=C1O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)OC=C(C2=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C24H24O10/c1-2-11-5-13-17(7-16(11)33-24-23(29)22(28)21(27)19(8-25)34-24)30-9-14(20(13)26)12-3-4-15-18(6-12)32-10-31-15/h3-7,9,19,21-25,27-29H,2,8,10H2,1H3/t19-,21+,22+,23+,24+/m0/s1
SMILES: CC(C)[C@H](C(=O)N[C@@H]1C=C(C[C@H]([C@@H]1O)OC(=O)NC2=CC=CC=C2)C(=O)NCC(=O)N)N
InChI: InChI=1S/C21H29N5O6/c1-11(2)17(23)20(30)26-14-8-12(19(29)24-10-16(22)27)9-15(18(14)28)32-21(31)25-13-6-4-3-5-7-13/h3-8,11,14-15,17-18,28H,9-10,23H2,1-2H3,(H2,22,27)(H,24,29)(H,25,31)(H,26,30)/t14-,15-,17-,18-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@H](O[C@H]1[C@H](CO)O)[C@H](C[C@@H](C)C/C(=C/I)/C)OC)OC
InChI: InChI=1S/C18H33IO5/c1-11(6-12(2)9-19)7-15(22-4)18-16(23-5)8-13(3)17(24-18)14(21)10-20/h9,11,13-18,20-21H,6-8,10H2,1-5H3/b12-9+/t11-,13+,14-,15-,16-,17+,18+/m0/s1
SMILES: CSSC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O.[Na+].[Na+]
InChI: InChI=1S/C16H26N2O16P2S2.2Na/c1-37-38-5-7-10(21)11(22)13(24)15(32-7)33-36(28,29)34-35(26,27)30-4-6-9(20)12(23)14(31-6)18-3-2-8(19)17-16(18)25;;/h2-3,6-7,9-15,20-24H,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,19,25);;/q;2*+1/p-2/t6-,7-,9-,10+,11+,12-,13-,14-,15-;;/m1../s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H31N3O3S/c1-16-7-9-18(10-8-16)27(25,26)23-13-11-22(12-14-23)15-20(24)21-19-6-4-3-5-17(19)2/h7-10,17,19H,3-6,11-15H2,1-2H3,(H,21,24)/p+1/t17-,19-/m1/s1
SMILES: C1O[C@@H]2[C@@H](C([C@H]([C@@H](C2OCC3=CC=CC=C3)O1)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C35H36O6/c1-5-13-26(14-6-1)21-36-30-31(37-22-27-15-7-2-8-16-27)34-33(39-24-29-19-11-4-12-20-29)35(41-25-40-34)32(30)38-23-28-17-9-3-10-18-28/h1-20,30-35H,21-25H2/t30?,31-,32-,33?,34-,35+/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)CNC(=O)C4=CN=CC=C4)CN(CC=C)C5CCCC5
InChI: InChI=1S/C34H41N3O4/c1-3-19-37(30-8-4-5-9-30)22-31-24(2)32(27-14-12-26(23-38)13-15-27)41-34(40-31)28-16-10-25(11-17-28)20-36-33(39)29-7-6-18-35-21-29/h3,6-7,10-18,21,24,30-32,34,38H,1,4-5,8-9,19-20,22-23H2,2H3,(H,36,39)/t24-,31+,32+,34+/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)O[P@@](=O)(C2=CC=CC=C2)NCC3=CC=C(C=C3)Cl)C(C)C
InChI: InChI=1S/C23H31ClNO2P/c1-17(2)22-14-9-18(3)15-23(22)27-28(26,21-7-5-4-6-8-21)25-16-19-10-12-20(24)13-11-19/h4-8,10-13,17-18,22-23H,9,14-16H2,1-3H3,(H,25,26)/t18-,22-,23+,28-/m0/s1
SMILES: C1=C[C@H]2[C@@H]([C@H]([C@@H]1O2)C(=O)NCC3=CC=C(C=C3)Cl)C(=O)O
InChI: InChI=1S/C15H14ClNO4/c16-9-3-1-8(2-4-9)7-17-14(18)12-10-5-6-11(21-10)13(12)15(19)20/h1-6,10-13H,7H2,(H,17,18)(H,19,20)/t10-,11+,12+,13+/m1/s1
SMILES: CC[C@@H](C)COC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C33H56O3/c1-8-23(4)21-35-31(34)36-26-16-18-32(6)25(20-26)12-13-27-29-15-14-28(24(5)11-9-10-22(2)3)33(29,7)19-17-30(27)32/h12,22-24,26-30H,8-11,13-21H2,1-7H3/t23-,24+,26-,27+,28-,29-,30-,32+,33+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)C=NCC3=CC=CC=C3Cl
InChI: InChI=1S/C18H22ClNO/c1-17(2)14-8-9-18(17,3)16(21)13(14)11-20-10-12-6-4-5-7-15(12)19/h4-7,11,13-14H,8-10H2,1-3H3/t13-,14+,18-/m0/s1
SMILES: CCC1=C(C(=O)[C@@H]([C@H](O1)C(C)[C@@H]2[C@@H](C(=O)C(=C(O2)CC)C)C)C)C
InChI: InChI=1S/C20H30O4/c1-8-15-10(3)17(21)12(5)19(23-15)14(7)20-13(6)18(22)11(4)16(9-2)24-20/h12-14,19-20H,8-9H2,1-7H3/t12-,13+,14?,19-,20-/m0/s1
SMILES: CC[C@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@H]([C@H](C(=O)O1)C)OC(=O)C(C3=CC(=CC=C3)OC)OCC=C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C
InChI: InChI=1S/C43H65NO14/c1-14-19-52-35(28-17-16-18-29(21-28)50-12)39(48)55-34-26(6)36(56-40-33(46)30(44(10)11)20-24(4)53-40)42(8,51-13)22-23(3)32(45)25(5)37-43(9,58-41(49)57-37)31(15-2)54-38(47)27(34)7/h14,16-18,21,23-27,30-31,33-37,40,46H,1,15,19-20,22H2,2-13H3/t23-,24-,25-,26+,27-,30+,31+,33-,34-,35?,36-,37-,40+,42+,43-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H](C=C(O2)O)C(C3=CC4=C(C=C3)OCO4)(SC5=CC=CC=C5)SC6=CC=CC=C6)C(C)C
InChI: InChI=1S/C34H38O5S2/c1-22(2)27-16-14-23(3)18-30(27)38-33-28(20-32(35)39-33)34(40-25-10-6-4-7-11-25,41-26-12-8-5-9-13-26)24-15-17-29-31(19-24)37-21-36-29/h4-13,15,17,19-20,22-23,27-28,30,33,35H,14,16,18,21H2,1-3H3/t23-,27+,28-,30-,33-/m1/s1
SMILES: C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3C2C(CC4[C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI: InChI=1S/C27H45NO6/c1-15(4-7-23(32)28-11-9-24(33)34)18-5-6-19-25-20(14-22(31)27(18,19)3)26(2)10-8-17(29)12-16(26)13-21(25)30/h15-22,25,29-31H,4-14H2,1-3H3,(H,28,32)(H,33,34)/t15-,16?,17+,18-,19+,20+,21?,22-,25?,26+,27-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=C(C(=CC=C6)Cl)Cl
InChI: InChI=1S/C27H17Cl2NO5/c1-13-9-11-14(12-10-13)30-25(33)19-20(26(30)34)27(23(31)15-5-2-3-6-16(15)24(27)32)35-22(19)17-7-4-8-18(28)21(17)29/h2-12,19-20,22H,1H3/t19-,20+,22-/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)CNC(=O)OCC=C)CN4CCC5=CC(=C(C=C5C4)OC)OC
InChI: InChI=1S/C35H42N2O7/c1-5-16-42-35(39)36-19-24-6-12-27(13-7-24)34-43-32(23(2)33(44-34)26-10-8-25(22-38)9-11-26)21-37-15-14-28-17-30(40-3)31(41-4)18-29(28)20-37/h5-13,17-18,23,32-34,38H,1,14-16,19-22H2,2-4H3,(H,36,39)/t23-,32+,33+,34+/m1/s1
SMILES: C[C@@]12[C@@H](CCC1=O)[C@@H]3C(=C[C@H]2O3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C16H16O4S/c1-16-11(7-8-13(16)17)15-12(9-14(16)20-15)21(18,19)10-5-3-2-4-6-10/h2-6,9,11,14-15H,7-8H2,1H3/t11-,14+,15+,16+/m0/s1
SMILES: C[C@@H]1C/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC/C=C/C3=CC4=CC=CC=C4N=C3)N(C)C)O)CC=O)C
InChI: InChI=1S/C40H54N2O10/c1-25-21-30(18-19-43)38(39(48-6)33(45)23-34(46)50-26(2)13-8-7-9-17-32(25)44)52-40-36(47)35(42(4)5)37(27(3)51-40)49-20-12-14-28-22-29-15-10-11-16-31(29)41-24-28/h7-12,14-17,19,22,24-27,30,33,35-40,45,47H,13,18,20-21,23H2,1-6H3/b8-7+,14-12+,17-9+/t25-,26-,27-,30+,33-,35-,36-,37-,38+,39+,40+/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)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CN8CC[C@@H](C8)O
InChI: InChI=1S/C41H51N3O5/c1-26-37(24-44-13-12-36(46)23-44)48-39(49-38(26)32-10-8-27(25-45)9-11-32)35-7-3-6-34(18-35)33-5-2-4-28(17-33)22-42-40(47)43-41-19-29-14-30(20-41)16-31(15-29)21-41/h2-11,17-18,26,29-31,36-39,45-46H,12-16,19-25H2,1H3,(H2,42,43,47)/t26-,29?,30?,31?,36-,37+,38+,39+,41?/m0/s1
SMILES: CC(=C)C[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1C4=CC=C(C=C4)OC)C(=O)O
InChI: InChI=1S/C20H21NO5/c1-11(2)10-15-20-9-8-14(26-20)16(19(23)24)17(20)18(22)21(15)12-4-6-13(25-3)7-5-12/h4-9,14-17H,1,10H2,2-3H3,(H,23,24)/t14-,15+,16-,17+,20-/m1/s1
SMILES: CCCCC/C(=C/[C@H]1[C@@H]([C@H]2[C@@H](O1)[C@H]([C@@H]3[C@@H](O2)CC[C@@H](O3)CC(=O)OC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)/OC
InChI: InChI=1S/C33H62O8Si2/c1-10-17-18-19-24(35-8)22-27-30(40-42(11-2,12-3)13-4)31-32(39-27)33(41-43(14-5,15-6)16-7)29-26(38-31)21-20-25(37-29)23-28(34)36-9/h22,25-27,29-33H,10-21,23H2,1-9H3/b24-22-/t25-,26+,27+,29+,30+,31+,32-,33+/m1/s1
SMILES: CCSC(=O)C(C)C(=O)CC[C@@H](C)[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/C29H48O5S/c1-6-35-27(34)17(3)23(31)10-7-16(2)20-8-9-21-26-22(15-25(33)29(20,21)5)28(4)12-11-19(30)13-18(28)14-24(26)32/h16-22,24-26,30,32-33H,6-15H2,1-5H3/t16-,17?,18+,19-,20-,21+,22+,24-,25+,26+,28+,29-/m1/s1
SMILES: CC(C)C(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)I)COS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)O)OCC=C
InChI: InChI=1S/C26H28F3IO9S/c1-4-12-35-22-21(31)20(14-36-40(33,34)19-7-5-6-16(13-19)26(27,28)29)38-25(23(22)39-24(32)15(2)3)37-18-10-8-17(30)9-11-18/h4-11,13,15,20-23,25,31H,1,12,14H2,2-3H3/t20-,21-,22+,23-,25-/m1/s1
SMILES: C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)[C@H]3CSC4=CC=C(C=C4)C)O
InChI: InChI=1S/C22H26O4S/c1-11-4-6-14(7-5-11)27-10-16-20-18(24)8-12(2)15-9-17(23)13(3)19(15)21(20)26-22(16)25/h4-7,13,15-16,18-21,24H,2,8-10H2,1,3H3/t13-,15+,16+,18+,19+,20-,21-/m1/s1
SMILES: C[C@H]1C=C(C[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C
InChI: InChI=1S/C17H17NO4/c1-9-7-10(2)14-13(8-9)15(19)18(16(14)20)12-5-3-11(4-6-12)17(21)22/h3-7,10,13-14H,8H2,1-2H3,(H,21,22)/t10-,13-,14-/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H]3[C@H](C4CCC3CC4)C(=O)O
InChI: InChI=1S/C21H28N2O4/c1-27-17-5-3-2-4-16(17)22-10-12-23(13-11-22)20(24)18-14-6-8-15(9-7-14)19(18)21(25)26/h2-5,14-15,18-19H,6-13H2,1H3,(H,25,26)/t14?,15?,18-,19+/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=C(C=CS2)Cl)O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C21H29ClO5S/c22-17-11-12-28-20(17)10-8-14(23)7-9-16-15(18(24)13-19(16)25)5-3-1-2-4-6-21(26)27/h1,3,7,9,11-12,14-16,18-19,23-25H,2,4-6,8,10,13H2,(H,26,27)/b3-1-,9-7+/t14-,15-,16-,18+,19-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C(=O)OC
InChI: InChI=1S/C16H24O2/c1-10-5-7-13-11(2)6-8-14(15(13)9-10)12(3)16(17)18-4/h9,11,13-15H,3,5-8H2,1-2,4H3/t11-,13+,14+,15+/m1/s1
SMILES: CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C(C)C)NC(=O)C[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H]4CNCC[C@H]4N
InChI: InChI=1S/C44H68N8O9/c1-25(2)17-29(19-38(53)48-28(21-42(58)59)13-14-41(56)57)49-43(60)32-10-6-8-12-36(32)51-40(55)22-37(26(3)4)52-39(54)20-30(50-44(61)33-24-46-16-15-34(33)45)18-27-23-47-35-11-7-5-9-31(27)35/h5,7,9,11,23,25-26,28-30,32-34,36-37,46-47H,6,8,10,12-22,24,45H2,1-4H3,(H,48,53)(H,49,60)(H,50,61)(H,51,55)(H,52,54)(H,56,57)(H,58,59)/t28-,29-,30-,32+,33+,34+,36+,37+/m0/s1
SMILES: CC(C)(C)NC(=O)C1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCCOC4)O
InChI: InChI=1S/C30H47N3O5/c1-30(2,3)32-28(35)26-17-22-12-7-8-13-23(22)18-33(26)19-27(34)25(16-21-10-5-4-6-11-21)31-29(36)38-24-14-9-15-37-20-24/h4-6,10-11,22-27,34H,7-9,12-20H2,1-3H3,(H,31,36)(H,32,35)/t22-,23+,24-,25-,26?,27+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)O)OCCCCCCCCOP(=O)(O)OCC(COC(=O)C)OC(=O)C)O
InChI: InChI=1S/C26H46NO17P/c1-16(29)27-22-20(32)12-26(25(35)36,44-24(22)23(34)21(33)13-28)40-10-8-6-4-5-7-9-11-41-45(37,38)42-15-19(43-18(3)31)14-39-17(2)30/h19-24,28,32-34H,4-15H2,1-3H3,(H,27,29)(H,35,36)(H,37,38)/t19?,20-,21-,22+,23-,24+,26+/m0/s1
SMILES: CC(=CC(=O)N(CC12CC3CC(C1)CC(C3)C2)[C@@H]4C=C([C@H]5[C@@H]([C@H]4O)OC6=C5C=C(C=C6OC)CO)C(=O)NCCO)C
InChI: InChI=1S/C33H44N2O7/c1-18(2)6-27(38)35(17-33-13-19-7-20(14-33)9-21(8-19)15-33)25-12-24(32(40)34-4-5-36)28-23-10-22(16-37)11-26(41-3)30(23)42-31(28)29(25)39/h6,10-12,19-21,25,28-29,31,36-37,39H,4-5,7-9,13-17H2,1-3H3,(H,34,40)/t19?,20?,21?,25-,28+,29+,31+,33?/m1/s1
SMILES: C[C@@H]1CCC2C1CC3(C4C[C@]2([C@@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@]6([C@@H]([C@H](O5)C)OC)O[C@H](C(=O)O6)CCCCCCCC(=O)O)O
InChI: InChI=1S/C37H54O12/c1-20(2)26-15-23-16-34(18-38)25-14-13-21(3)24(25)17-35(23,36(26,34)33(43)44)19-46-32-29(41)37(30(45-5)22(4)47-32)48-27(31(42)49-37)11-9-7-6-8-10-12-28(39)40/h15,18,20-25,27,29-30,32,41H,6-14,16-17,19H2,1-5H3,(H,39,40)(H,43,44)/t21-,22-,23?,24?,25?,27+,29-,30-,32-,34+,35?,36-,37-/m1/s1
SMILES: C[C@H]1[C@@H]([C@@](C(=O)O1)(C(F)(F)F)F)CS(=O)(=O)C2=CC=C(C=C2)C
InChI: InChI=1S/C14H14F4O4S/c1-8-3-5-10(6-4-8)23(20,21)7-11-9(2)22-12(19)13(11,15)14(16,17)18/h3-6,9,11H,7H2,1-2H3/t9-,11-,13+/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C20H21NO4/c1-14-11-18(14)20(23)25-13-19(22)21-16-7-9-17(10-8-16)24-12-15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3,(H,21,22)/t14-,18+/m1/s1
SMILES: C1CC[C@@]23CCN([C@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CC(C5=CC=CC=C5)O
InChI: InChI=1S/C24H29NO2/c26-19-10-9-18-14-22-20-8-4-5-11-24(20,21(18)15-19)12-13-25(22)16-23(27)17-6-2-1-3-7-17/h1-3,6-7,9-10,15,20,22-23,26-27H,4-5,8,11-14,16H2/t20-,22-,23?,24+/m0/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C(C5=O)C)C(=O)O3)O[Si](C)(C)C)C)OC(=O)CC6=CC=C(C=C6)[N+](=O)[O-])\C)C
InChI: InChI=1S/C43H57NO11Si/c1-9-36-26(2)19-20-42(54-36)24-34-23-33(53-42)18-13-28(4)39(52-37(45)22-30-14-16-32(17-15-30)44(48)49)27(3)11-10-12-31-25-50-40-38(46)29(5)21-35(41(47)51-34)43(31,40)55-56(6,7)8/h10-17,21,26-27,33-36,39-40H,9,18-20,22-25H2,1-8H3/b11-10+,28-13+,31-12+/t26-,27-,33+,34-,35-,36+,39+,40+,42+,43+/m0/s1
SMILES: C[C@@]12[C@H](C[C@@H]([C@@]3(CC[C@@H](C3(C)C)[C@H](C1=O)OCOC)O)O[Si](C)(C)C(C)(C)C)[C@]4(COC(O4)(C)C)[C@@H](C[C@@H]2O)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C38H62O10Si/c1-33(2,3)49(11,12)47-30-19-27-36(8,32(40)31(45-23-42-9)26-17-18-38(30,41)34(26,4)5)28(39)20-29(37(27)22-46-35(6,7)48-37)44-21-24-13-15-25(43-10)16-14-24/h13-16,26-31,39,41H,17-23H2,1-12H3/t26-,27+,28+,29-,30+,31-,36+,37-,38-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C)OCCC(C)(C)O
InChI: InChI=1S/C26H42O4/c1-16(30-13-12-24(2,3)29)20-8-9-21-19-7-6-17-14-18(27)15-23(28)26(17,5)22(19)10-11-25(20,21)4/h6-7,16,18,20-23,27-29H,8-15H2,1-5H3/t16-,18+,20+,21-,22-,23-,25+,26-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H20ClN3O6/c1-10-4-2-3-5-13(10)19-17(24)20-15(22)9-27-16(23)12-8-11(18)6-7-14(12)21(25)26/h6-8,10,13H,2-5,9H2,1H3,(H2,19,20,22,24)/t10-,13-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)NP(N2)C3=C(C4=CC=CC=C4C=C3C5=CC=CC=C5)C6=C(C(=CC7=CC=CC=C76)C8=CC=CC=C8)P9N[C@H]1CCCC[C@@H]1N9
InChI: InChI=1S/C44H44N4P2/c1-3-15-29(16-4-1)35-27-31-19-7-9-21-33(31)41(43(35)49-45-37-23-11-12-24-38(37)46-49)42-34-22-10-8-20-32(34)28-36(30-17-5-2-6-18-30)44(42)50-47-39-25-13-14-26-40(39)48-50/h1-10,15-22,27-28,37-40,45-48H,11-14,23-26H2/t37-,38-,39-,40-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CCC3=CC=CC=C3)[C@@]4(N1)C5=CC=CC=C5NC4=O)O
InChI: InChI=1S/C23H23N3O4/c1-13(27)19-17-18(23(25-19)15-9-5-6-10-16(15)24-22(23)30)21(29)26(20(17)28)12-11-14-7-3-2-4-8-14/h2-10,13,17-19,25,27H,11-12H2,1H3,(H,24,30)/t13-,17+,18+,19-,23+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](NC1=O)C2=CC=CC=N2
InChI: InChI=1S/C14H22N2O2Si/c1-14(2,3)19(4,5)18-12-11(16-13(12)17)10-8-6-7-9-15-10/h6-9,11-12H,1-5H3,(H,16,17)/t11-,12+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C2[C@H]([C@@H](C(=O)C(=C2C)C)Cl)Cl
InChI: InChI=1S/C15H15Cl2NO3S/c1-8-4-6-11(7-5-8)22(20,21)18-14-9(2)10(3)15(19)13(17)12(14)16/h4-7,12-13H,1-3H3/t12-,13-/m0/s1
SMILES: CC(C)[C@H]1[C@H]2CC=C[C@@H]2C3=C(N1)C=CC(=C3)C(=O)O
InChI: InChI=1S/C16H19NO2/c1-9(2)15-12-5-3-4-11(12)13-8-10(16(18)19)6-7-14(13)17-15/h3-4,6-9,11-12,15,17H,5H2,1-2H3,(H,18,19)/t11-,12-,15-/m0/s1
SMILES: C[C@@H](CCCC(C)C)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C18H28N2O3/c1-12(2)7-6-8-13(3)19-16(21)11-20-17(22)14-9-4-5-10-15(14)18(20)23/h4-5,12-15H,6-11H2,1-3H3,(H,19,21)/t13-,14-,15+/m0/s1
SMILES: C1C[C@H](OC1)C(=O)N=C2N([C@H]3CS(=O)(=O)C[C@H]3S2)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C17H18N2O6S2/c20-16(13-2-1-5-23-13)18-17-19(11-7-27(21,22)8-15(11)26-17)10-3-4-12-14(6-10)25-9-24-12/h3-4,6,11,13,15H,1-2,5,7-9H2/t11-,13-,15+/m0/s1
SMILES: C1=CN(C=N1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)SCCC(F)(F)F)N)O)O
InChI: InChI=1S/C16H19F3N7O6PS/c17-16(18,19)1-4-34-15-23-12(20)9-13(24-15)26(7-22-9)14-11(28)10(27)8(32-14)5-31-33(29,30)25-3-2-21-6-25/h2-3,6-8,10-11,14,27-28H,1,4-5H2,(H,29,30)(H2,20,23,24)/t8-,10-,11-,14-/m1/s1
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)OCC1=CC=CC=C1)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C30H46N2O16/c1-13(2)18(27(41)43-4)31-26(40)19(32-30(42)44-12-15-8-6-5-7-9-15)14(3)45-29-25(23(38)21(36)17(11-34)47-29)48-28-24(39)22(37)20(35)16(10-33)46-28/h5-9,13-14,16-25,28-29,33-39H,10-12H2,1-4H3,(H,31,40)(H,32,42)/t14-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25+,28-,29+/m1/s1
SMILES: C[C@H]1[C@H](C(=O)N(C1=O)C2=C(C(=CC=C2)Cl)C)CC3=CC=C(C=C3)C
InChI: InChI=1S/C20H20ClNO2/c1-12-7-9-15(10-8-12)11-16-13(2)19(23)22(20(16)24)18-6-4-5-17(21)14(18)3/h4-10,13,16H,11H2,1-3H3/t13-,16+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)C
InChI: InChI=1S/C18H26N2O/c1-11-6-12(2)17(13(3)7-11)20-18(21)19-10-16-9-14-4-5-15(16)8-14/h6-7,14-16H,4-5,8-10H2,1-3H3,(H2,19,20,21)/t14-,15+,16-/m0/s1
SMILES: CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C\C(=O)OC(C)(C)C)C
InChI: InChI=1S/C27H28FNO5/c1-26(2,3)34-23(30)14-12-19-24(27(19,4)5)25(31)33-22(16-29)17-11-13-20(28)21(15-17)32-18-9-7-6-8-10-18/h6-15,19,22,24H,1-5H3/b14-12-/t19-,22+,24-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]45C(=O)COC(O5)(C)C)C)O
InChI: InChI=1S/C24H34O5/c1-21(2)28-13-19(27)24(29-21)10-8-17-16-6-5-14-11-15(25)7-9-22(14,3)20(16)18(26)12-23(17,24)4/h11,16-18,20,26H,5-10,12-13H2,1-4H3/t16-,17-,18-,20+,22-,23-,24-/m0/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=C(C=C(C=C8OC)OC)O)C(=O)NC7=O)C
InChI: InChI=1S/C36H33ClN4O7S/c1-15-20-10-16(37)6-9-26(20)49-31(15)23-14-27(40(3)39-23)41-34(45)22-13-21-18(7-8-19-28(21)33(44)38-32(19)43)30(36(22,2)35(41)46)29-24(42)11-17(47-4)12-25(29)48-5/h6-7,9-12,14,19,21-22,28,30,42H,8,13H2,1-5H3,(H,38,43,44)/t19-,21+,22-,28-,30+,36+/m0/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3CC2)C
InChI: InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h7,11-12,15-17H,3-6,8-10H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]2CC3(C[C@H]2CC1=O)OCC(CO3)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H48O4Si/c1-9-10-11-12-21(31-32(7,8)25(2,3)4)13-14-22-23-17-27(16-20(23)15-24(22)28)29-18-26(5,6)19-30-27/h13-14,20-23H,9-12,15-19H2,1-8H3/b14-13+/t20-,21+,22-,23+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)O)N=C(S3)NS(=O)(=O)C)(C)CO)O
InChI: InChI=1S/C17H26N2O6S2/c1-16-5-4-12(21)17(2,8-20)11(16)7-10-14(9(16)6-13(22)23)18-15(26-10)19-27(3,24)25/h9,11-12,20-21H,4-8H2,1-3H3,(H,18,19)(H,22,23)/t9-,11+,12-,16+,17+/m1/s1
SMILES: COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CCC6)[C@@H](O2)[C@H](CC5)O)O)C=C1
InChI: InChI=1S/C22H29NO4/c1-26-16-6-5-14-11-17-22(25)8-7-15(24)20-21(22,18(14)19(16)27-20)9-10-23(17)12-13-3-2-4-13/h5-6,13,15,17,20,24-25H,2-4,7-12H2,1H3/t15-,17+,20-,21-,22+/m0/s1
SMILES: C[C@@H]1CN(C[C@@H]1N)C2=C(C(=C3C4=C2CCN(N4C=C(C3=O)C(=O)O)C)O)F
InChI: InChI=1S/C18H21FN4O4/c1-8-5-22(7-11(8)20)15-9-3-4-21(2)23-6-10(18(26)27)16(24)12(14(9)23)17(25)13(15)19/h6,8,11,25H,3-5,7,20H2,1-2H3,(H,26,27)/t8-,11+/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[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)OC(=O)C7=CC=CC=C7)OC8CCCCO8)(CO4)O)C)O)O
InChI: InChI=1S/C48H57NO12/c1-28-32(59-44(55)38(51)36(29-16-8-5-9-17-29)49-42(53)30-18-10-6-11-19-30)26-48(61-43(54)31-20-12-7-13-21-31)41(60-34-22-14-15-25-57-34)39-46(4,24-23-33-47(39,56)27-58-33)40(52)37(50)35(28)45(48,2)3/h5-13,16-21,32-34,36-41,50-52,56H,14-15,22-27H2,1-4H3,(H,49,53)/t32-,33+,34?,36-,37+,38+,39-,40-,41-,46+,47-,48+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)Cl)OC
InChI: InChI=1S/C19H26ClNO4/c1-11-6-5-7-16(12(11)2)21-18(22)13(3)25-19(23)15-10-14(20)8-9-17(15)24-4/h8-13,16H,5-7H2,1-4H3,(H,21,22)/t11-,12-,13-,16-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)O)CSC[C@@H]4CCCN4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H42N2O4SSi/c1-15(31-33(5,6)25(2,3)4)19-21-18-11-7-9-16(13-32-14-17-10-8-12-26-17)20(18)22(24(29)30)27(21)23(19)28/h15-19,21,26H,7-14H2,1-6H3,(H,29,30)/t15-,16-,17+,18+,19-,21-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C(=C(C=C4)Cl)C)NC3=O)N[C@@H]2[C@@H](C)O
InChI: InChI=1S/C20H24ClN3O4/c1-5-8(2)24-17(26)13-14(18(24)27)20(23-16(13)10(4)25)11-6-7-12(21)9(3)15(11)22-19(20)28/h6-8,10,13-14,16,23,25H,5H2,1-4H3,(H,22,28)/t8-,10-,13+,14+,16-,20-/m1/s1
SMILES: CCCCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)CCCCC=C
InChI: InChI=1S/C30H42N2O7/c1-4-6-8-10-12-25(35)32(14-11-9-7-5-2)23-18-22(30(37)31-13-15-33)26-21-16-20(19-34)17-24(38-3)28(21)39-29(26)27(23)36/h4,16-19,23,26-27,29,33,36H,1,5-15H2,2-3H3,(H,31,37)/t23-,26+,27+,29+/m1/s1
SMILES: CC[C@H]1CC[C@@H]2[C@@H]1[C@@H](OC(=C2)O[Si](C)(C)C)/C=C/C#C[Si](C)(C)C
InChI: InChI=1S/C20H34O2Si2/c1-8-16-12-13-17-15-19(22-24(5,6)7)21-18(20(16)17)11-9-10-14-23(2,3)4/h9,11,15-18,20H,8,12-13H2,1-7H3/b11-9+/t16-,17-,18-,20+/m0/s1
SMILES: C[C@H]1CCC(N(C1)C)[C@@H](C)[C@H]2C[C@@]3(C[C@H]4[C@H]([C@@H]3C=C2)C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)C
InChI: InChI=1S/C28H47NO2/c1-17-6-9-25(29(5)16-17)18(2)19-7-8-22-21-13-26(31)23-12-20(30)10-11-28(23,4)24(21)15-27(22,3)14-19/h7-8,17-26,30-31H,6,9-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,25?,26+,27+,28-/m0/s1
SMILES: CC(CCC/C=C/C(C)C/C=C/CCCN(C)C(=N)N)/C=C(\C)/C(C(C)/C=C/C=C/C=C/C=C/C=C(\C)/C(=O)NC1C(=O)CCC1=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C46H68N4O10/c1-30(21-15-12-13-20-28-50(6)46(47)48)22-16-14-17-23-31(2)29-34(5)41(59-45-40(55)38(53)39(54)42(60-45)44(57)58)32(3)24-18-10-8-7-9-11-19-25-33(4)43(56)49-37-35(51)26-27-36(37)52/h7-12,15-16,18-19,22,24-25,29-32,37-42,45,53-55H,13-14,17,20-21,23,26-28H2,1-6H3,(H3,47,48)(H,49,56)(H,57,58)/b9-7+,10-8+,15-12+,19-11+,22-16+,24-18+,33-25+,34-29+/t30?,31?,32?,38-,39-,40+,41?,42-,45?/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](N(C(=O)[C@H]1OC(=O)C)CC2=CC=C(C=C2)OC)C#N
InChI: InChI=1S/C17H18N2O6/c1-10(20)24-15-14(8-18)19(17(22)16(15)25-11(2)21)9-12-4-6-13(23-3)7-5-12/h4-7,14-16H,9H2,1-3H3/t14-,15-,16+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]4CCC(=O)[C@@]4(CC[C@@H]3[C@@]1(CCC(=O)C2)C)C
InChI: InChI=1S/C20H30O2/c1-18-9-7-14-15-4-5-17(22)19(15,2)10-8-16(14)20(18,3)11-6-13(21)12-18/h14-16H,4-12H2,1-3H3/t14-,15-,16-,18+,19+,20-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@]5(O[C@@H]6[C@H]([C@@H]([C@H](O[C@@H]6O5)COC(=O)C)OC(=O)C)OC(=O)C)C)C)C
InChI: InChI=1S/C41H64O10/c1-23(2)11-10-12-24(3)31-15-16-32-30-14-13-28-21-29(17-19-39(28,7)33(30)18-20-40(31,32)8)49-41(9)50-37-36(47-27(6)44)35(46-26(5)43)34(22-45-25(4)42)48-38(37)51-41/h13,23-24,29-38H,10-12,14-22H2,1-9H3/t24-,29+,30+,31-,32+,33+,34-,35-,36+,37-,38-,39+,40-,41+/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[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(=C)C1(CC1)S(=O)(=O)NC(=O)[C@@]2(C[C@@H]2C=C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6
InChI: InChI=1S/C44H55N5O9S/c1-11-28-24-44(28,39(52)48-59(54,55)43(19-20-43)26(2)3)47-37(50)34-22-30(25-49(34)38(51)36(41(4,5)6)46-40(53)58-42(7,8)9)57-35-23-32(27-15-13-12-14-16-27)45-33-21-29(56-10)17-18-31(33)35/h11-18,21,23,28,30,34,36H,1-2,19-20,22,24-25H2,3-10H3,(H,46,53)(H,47,50)(H,48,52)/t28-,30+,34-,36+,44-/m0/s1
SMILES: C1C=C2[C@@H](CN1CC3=CC=CC=C3)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C4=COC=C4
InChI: InChI=1S/C23H19N5O/c24-10-19-18-6-8-28(11-16-4-2-1-3-5-16)12-20(18)21(17-7-9-29-13-17)23(14-25,15-26)22(19)27/h1-7,9,13,19-21,27H,8,11-12H2/t19?,20-,21+/m1/s1