EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1C(=O)[C@@]2(C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]([C@@]2(C1=O)Cl)C6=CC=C(C=C6)OCCO)Cl
InChI: InChI=1S/C27H24Cl2N4O6/c1-30-22(35)26(28)15-20-19(11-12-31-24(37)32(25(38)33(20)31)17-5-3-2-4-6-17)21(27(26,29)23(30)36)16-7-9-18(10-8-16)39-14-13-34/h2-11,20-21,34H,12-15H2,1H3/t20-,21+,26-,27+/m1/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C21H19NO5/c1-27-17-10-13(21(25)26)9-16-14-3-2-4-15(14)18(22-19(16)17)11-5-7-12(8-6-11)20(23)24/h2-3,5-10,14-15,18,22H,4H2,1H3,(H,23,24)(H,25,26)/p-2/t14-,15+,18+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C
InChI: InChI=1S/C22H33N3O4/c1-14(2)24-22(28)23-13-17-9-11-18(12-10-17)21(27)29-16(4)20(26)25-19-8-6-5-7-15(19)3/h9-12,14-16,19H,5-8,13H2,1-4H3,(H,25,26)(H2,23,24,28)/t15-,16+,19-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N(C)CC(=O)NC
InChI: InChI=1S/C16H24N4O5/c1-10-6-4-5-7-11(10)20-15(24)14(23)19(16(20)25)9-13(22)18(3)8-12(21)17-2/h10-11H,4-9H2,1-3H3,(H,17,21)/t10-,11+/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)N2CC[C@H](C2)NC(=O)C)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H31N3O3/c1-3-17-14-25(22(28)18-7-5-4-6-8-18)11-9-19(17)13-21(27)24-12-10-20(15-24)23-16(2)26/h4-8,17,19-20H,3,9-15H2,1-2H3,(H,23,26)/t17-,19-,20+/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)Cl)C(=O)N2)C
InChI: InChI=1S/C24H21Cl2N3O3/c1-11-5-7-14-20(12(11)2)27-23(32)24(14)19-18(17-4-3-9-28(17)24)21(30)29(22(19)31)13-6-8-15(25)16(26)10-13/h5-8,10,17-19H,3-4,9H2,1-2H3,(H,27,32)/t17-,18+,19-,24-/m0/s1
SMILES: CCC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](S2(=O)=O)CO)OC(=O)N
InChI: InChI=1S/C12H17N3O7S/c1-2-6-4-15(12(19)14-10(6)17)9-3-7(22-11(13)18)8(5-16)23(9,20)21/h4,7-9,16H,2-3,5H2,1H3,(H2,13,18)(H,14,17,19)/t7-,8+,9-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]([C@]([C@@H]2[C@@]1(C(=O)[C@@H](C3=C(C(=O)C[C@@]4([C@H]2OC(=O)O4)C3(C)C)C)O[Si](CC)(CC)CC)C)(C=NCC5=CC=CC=C5)O)Br
InChI: InChI=1S/C40H60BrNO8Si2/c1-11-51(12-2,13-3)49-30-22-29(41)39(46,25-42-24-27-20-18-17-19-21-27)33-35-40(48-36(45)47-35)23-28(43)26(7)31(37(40,8)9)32(34(44)38(30,33)10)50-52(14-4,15-5)16-6/h17-21,25,29-30,32-33,35,46H,11-16,22-24H2,1-10H3/t29-,30-,32+,33-,35-,38+,39-,40+/m0/s1
SMILES: CCCCCCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCC/C=C/CCCCCCCC)O)OCCCCCCCCCC
InChI: InChI=1S/C66H129NO18P2/c1-7-11-15-19-22-25-27-29-30-31-32-34-36-40-44-48-58(68)67-59-62(80-52-49-55(77-6)47-43-39-18-14-10-4)61(84-86(70,71)72)57(53-76-5)83-65(59)81-54-56-60(69)63(78-50-45-41-37-24-21-17-13-9-3)64(66(82-56)85-87(73,74)75)79-51-46-42-38-35-33-28-26-23-20-16-12-8-2/h29-30,55-57,59-66,69H,7-28,31-54H2,1-6H3,(H,67,68)(H2,70,71,72)(H2,73,74,75)/b30-29+/t55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66+/m1/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(OC([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C3=CSC=N3)CCC(=C)[C@H]([C@H](C)CC4=CC=CC=C4)OC(=O)C)O
InChI: InChI=1S/C37H47NO12S/c1-7-21(2)17-22(3)13-14-28(40)48-32-30(41)35(16-15-23(4)29(47-25(6)39)24(5)18-26-11-9-8-10-12-26)49-31(27-19-51-20-38-27)36(46,33(42)43)37(32,50-35)34(44)45/h8-14,19-22,24,29-32,41,46H,4,7,15-18H2,1-3,5-6H3,(H,42,43)(H,44,45)/b14-13+/t21-,22+,24+,29+,30+,31?,32+,35-,36+,37-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)NC4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C15H13N3O4/c19-14-12-8-5-6-9(7-8)13(12)15(20)17(14)16-10-3-1-2-4-11(10)18(21)22/h1-6,8-9,12-13,16H,7H2/t8-,9+,12-,13+
SMILES: C=CCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OCCN7CC7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C48H64FN3O9/c1-3-5-27-58-47(55)52(33-34-15-17-36(49)18-16-34)43-32-41(50-61-44-14-8-11-28-57-44)39-30-35(12-6-9-24-53)38(13-7-10-25-54)45-40-31-37(56-29-23-51-21-22-51)19-20-42(40)60-48(43,46(39)45)59-26-4-2/h3-4,15-20,30-31,35,38,43-46,53-54H,1-2,5-14,21-29,32-33H2/t35-,38+,43-,44?,45+,46+,48+/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H]([C@@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)C(=O)[O-])N[C@@H]2C(=O)[O-]
InChI: InChI=1S/C20H17ClN2O6S/c21-16-14(30-13-7-2-1-6-12(13)23(28)29)8-11-15(16)9-4-3-5-10(19(24)25)17(9)22-18(11)20(26)27/h1-7,11,14-16,18,22H,8H2,(H,24,25)(H,26,27)/p-2/t11-,14+,15-,16+,18-/m0/s1
SMILES: CC(C)[C@H]1[C@H]2[C@@H](C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC)[C@@]4([NH2+]1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C23H22N4O6/c1-11(2)19-17-18(23(25-19)13-6-4-5-7-14(13)24-22(23)30)21(29)26(20(17)28)15-10-12(27(31)32)8-9-16(15)33-3/h4-11,17-19,25H,1-3H3,(H,24,30)/p+1/t17-,18+,19+,23+/m1/s1
SMILES: CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N[C@@H]2CCC[C@H]([C@@H]2C)C)OC
InChI: InChI=1S/C20H28ClNO5/c1-5-26-19-15(21)9-14(10-17(19)25-4)20(24)27-11-18(23)22-16-8-6-7-12(2)13(16)3/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,22,23)/t12-,13+,16-/m1/s1
SMILES: C[C@H]([C@H]1C[C@H]2CC[C@@H]1C2)NC(=O)/C=C/C3=CC=C(C=C3)SC(F)F
InChI: InChI=1S/C19H23F2NOS/c1-12(17-11-14-2-6-15(17)10-14)22-18(23)9-5-13-3-7-16(8-4-13)24-19(20)21/h3-5,7-9,12,14-15,17,19H,2,6,10-11H2,1H3,(H,22,23)/b9-5+/t12-,14+,15-,17-/m1/s1
SMILES: CN(C)CC(=O)O[C@@H]1CCN(C1)[C@@H]2CCCC[C@H]2OCCC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C24H38N2O5/c1-25(2)17-24(27)31-19-11-13-26(16-19)20-7-5-6-8-21(20)30-14-12-18-9-10-22(28-3)23(15-18)29-4/h9-10,15,19-21H,5-8,11-14,16-17H2,1-4H3/t19-,20-,21-/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O
InChI: InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(23)29-22-20(27)18(25)17(24)19(26)21(22)28/h17-22,24-28H,2-15H2,1H3/t17?,18-,19+,20-,21-,22?/m1/s1
SMILES: CCOP(=O)(OCC)OC1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C38H45O9P/c1-3-44-48(39,45-4-2)47-38-37(43-28-33-23-15-8-16-24-33)36(42-27-32-21-13-7-14-22-32)35(41-26-31-19-11-6-12-20-31)34(46-38)29-40-25-30-17-9-5-10-18-30/h5-24,34-38H,3-4,25-29H2,1-2H3/t34-,35-,36+,37-,38?/m1/s1
SMILES: CCCC(CCC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChI: InChI=1S/C16H28N2O4/c1-4-6-12(7-5-2)22-14-9-11(16(20)21)8-13(17)15(14)18-10(3)19/h9,12-15H,4-8,17H2,1-3H3,(H,18,19)(H,20,21)/t13-,14+,15+/m0/s1
SMILES: CCCCC/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@]23[C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]2[C@@H]6[C@]1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C
InChI: InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h10-19,23,25,27,29-32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37?/m1/s1
SMILES: CCOC(=O)C(=C)CN1C[C@@H]2C[C@@]([C@H]1CC2(OC)OC)(C3=C(C4=CC=CC=C4N3C)I)C(=O)OC
InChI: InChI=1S/C26H33IN2O6/c1-7-35-23(30)16(2)14-29-15-17-12-25(24(31)32-4,20(29)13-26(17,33-5)34-6)22-21(27)18-10-8-9-11-19(18)28(22)3/h8-11,17,20H,2,7,12-15H2,1,3-6H3/t17-,20+,25+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CNC3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C17H21ClN2O2/c1-10-3-6-13-14(7-10)17(22)20(16(13)21)9-19-12-5-4-11(2)15(18)8-12/h4-5,8,10,13-14,19H,3,6-7,9H2,1-2H3/t10-,13+,14+/m1/s1
SMILES: COC1([C@@]2(C[C@H]([C@]1(C(=O)[C@@]2(CC=C)O)Cl)[Si](C)(C)C)Cl)OC
InChI: InChI=1S/C15H24Cl2O4Si/c1-7-8-12(19)11(18)14(17)10(22(4,5)6)9-13(12,16)15(14,20-2)21-3/h7,10,19H,1,8-9H2,2-6H3/t10-,12-,13+,14-/m1/s1
SMILES: C1C[N+]2(CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75)CC8=CC=C(C=C8)C9=CC=CC=C9.[I-]
InChI: InChI=1S/C34H33N2O2.HI/c37-31-19-29-32-26-18-30-34(27-8-4-5-9-28(27)35(31)33(32)34)15-16-36(30,21-25(26)14-17-38-29)20-22-10-12-24(13-11-22)23-6-2-1-3-7-23;/h1-14,26,29-30,32-33H,15-21H2;1H/q+1;/p-1/t26-,29-,30-,32-,33-,34+,36?;/m0./s1
SMILES: C1CC[NH+]2CCC[C@H]([C@H]2C1)CSC(=N)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]
InChI: InChI=1S/C18H24N4O3S/c19-18(20-11-14-10-15(22(24)25)6-7-17(14)23)26-12-13-4-3-9-21-8-2-1-5-16(13)21/h6-7,10-11,13,16,19,23H,1-5,8-9,12H2/t13-,16+/m0/s1
SMILES: C1CC[C@@H]2CN([C@H](C[C@@H]2C1)C(=O)O)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C18H23NO4/c20-17(21)16-10-14-8-4-5-9-15(14)11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,20,21)/t14-,15+,16+/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=NC=C(O3)C4=NC=C(N4C)[N+](=O)[O-])/C)[C@H](C)O
InChI: InChI=1S/C23H32N4O8/c1-11(6-18-24-8-17(34-18)23-25-9-19(26(23)4)27(31)32)5-15-21(30)20(29)14(10-33-15)7-16-22(35-16)12(2)13(3)28/h6,8-9,12-16,20-22,28-30H,5,7,10H2,1-4H3/b11-6+/t12-,13-,14-,15-,16-,20+,21-,22-/m0/s1
SMILES: CN(C)C(=O)C1[C@H]([C@]2([C@@](C1O)(C3=C(O2)C=CC=C3OC)O)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5
InChI: InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-10-7-6-8-11-17)29(18-14-15-19(34-3)22(16-18)36-5)28(33,26(23)31)25-20(35-4)12-9-13-21(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23?,24-,26?,28+,29+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C2(Cl)Cl)[C@@H](C4=CC=CC=C4O3)C5=CC=CS5
InChI: InChI=1S/C21H16Cl2O2S/c1-24-14-10-8-13(9-11-14)20-19(21(20,22)23)18(17-7-4-12-26-17)15-5-2-3-6-16(15)25-20/h2-12,18-19H,1H3/t18-,19-,20+/m0/s1
SMILES: C1[C@]2([C@H]([C@@H](N1)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)CO
InChI: InChI=1S/C11H14N6O3/c12-8-6-9(15-3-14-8)17(4-16-6)10-5-7(19)11(2-18,20-10)1-13-5/h3-5,7,10,13,18-19H,1-2H2,(H2,12,14,15)/t5-,7+,10-,11-/m1/s1
SMILES: CC1=CC(=C(C=C1COC2=CC=C(C=C2)Br)[C@@H]3[C@H]4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)C
InChI: InChI=1S/C28H25BrN4O/c1-17-11-18(2)24(12-19(17)14-34-21-9-7-20(29)8-10-21)26-23-6-4-3-5-22(23)25(13-30)27(33)28(26,15-31)16-32/h5,7-12,23,26H,3-4,6,14,33H2,1-2H3/t23-,26-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)OCC=C)NC(=O)[C@@]1(CC[C@@H]2[C@H]1[C@H]2C(=O)OCC=C)NC(=O)OCC=C
InChI: InChI=1S/C24H34N2O7/c1-6-11-31-20(27)17(14-15(4)5)25-22(29)24(26-23(30)33-13-8-3)10-9-16-18(19(16)24)21(28)32-12-7-2/h6-8,15-19H,1-3,9-14H2,4-5H3,(H,25,29)(H,26,30)/t16-,17-,18-,19-,24-/m0/s1
SMILES: CC(C)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OCC(=O)O)OCCO)OC)OC
InChI: InChI=1S/C15H28O9/c1-9(2)22-7-10-12(19-3)13(20-4)14(21-6-5-16)15(24-10)23-8-11(17)18/h9-10,12-16H,5-8H2,1-4H3,(H,17,18)/t10-,12-,13+,14+,15+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)O[Si](C)(C)OC2=CC=CC=C2C=C)C(C)C
InChI: InChI=1S/C20H32O2Si/c1-7-17-10-8-9-11-19(17)21-23(5,6)22-20-14-16(4)12-13-18(20)15(2)3/h7-11,15-16,18,20H,1,12-14H2,2-6H3/t16-,18+,20-/m0/s1
SMILES: COCCN1C(=O)[C@@H]2[C@@H]([NH2+][C@]3([C@@H]2C1=O)C4=CC=CC=C4NC3=O)CCC(=O)N
InChI: InChI=1S/C19H22N4O5/c1-28-9-8-23-16(25)14-12(6-7-13(20)24)22-19(15(14)17(23)26)10-4-2-3-5-11(10)21-18(19)27/h2-5,12,14-15,22H,6-9H2,1H3,(H2,20,24)(H,21,27)/p+1/t12-,14+,15-,19-/m0/s1
SMILES: C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)N4CC[C@@H]5CCCC[C@H]5C4)CC1
InChI: InChI=1S/C24H31N3O2/c28-23(26-14-12-17-7-4-5-8-19(17)16-26)18-10-11-20-21(15-18)25-22-9-3-1-2-6-13-27(22)24(20)29/h10-11,15,17,19H,1-9,12-14,16H2/t17-,19-/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@@H]3[C@@H](N4C=CC5=CC=CC=C5[C@H]4[C@@H]3C2=O)C#N)C
InChI: InChI=1S/C23H19N3O2/c1-13-9-14(2)11-16(10-13)26-22(27)19-18(12-24)25-8-7-15-5-3-4-6-17(15)21(25)20(19)23(26)28/h3-11,18-21H,1-2H3/t18-,19+,20+,21-/m0/s1
SMILES: CC1=C(C2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)C)O[C@@H](CC2=O)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C38H36O18/c1-14-28(44)27-20(39)12-25(16-4-6-19(51-3)7-5-16)53-34(27)15(2)33(14)56-38-32(48)31(47)35(55-37(50)18-10-23(42)30(46)24(43)11-18)26(54-38)13-52-36(49)17-8-21(40)29(45)22(41)9-17/h4-11,25-26,31-32,35,38,40-48H,12-13H2,1-3H3/t25-,26+,31+,32+,35+,38-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C24H26N2O3S/c1-15-8-7-12-19(16(15)2)25-22(27)14-29-24(28)18-10-4-3-9-17(18)23-26-20-11-5-6-13-21(20)30-23/h3-6,9-11,13,15-16,19H,7-8,12,14H2,1-2H3,(H,25,27)/t15-,16-,19-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC(=CC=C2)OC
InChI: InChI=1S/C18H22N2O7/c1-11-6-16(21)14(15(11)9-20(24)25)8-18(23)27-10-17(22)19-12-4-3-5-13(7-12)26-2/h3-5,7,11,14-15H,6,8-10H2,1-2H3,(H,19,22)/t11-,14-,15-/m1/s1
SMILES: C1CC[C@@H]2CC(=CC[C@H]2C1)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C25H26F3NO4S/c26-25(27,28)34(31,32)33-23-13-7-6-12-22(23)29(17-18-8-2-1-3-9-18)24(30)21-15-14-19-10-4-5-11-20(19)16-21/h1-3,6-9,12-13,15,19-20H,4-5,10-11,14,16-17H2/t19-,20-/m1/s1
SMILES: C[C@H](CC(CC(C)C)O)N1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C32H57NO3Si/c1-21(2)17-24(34)18-22(3)33-29(35)20-28-26-12-11-23-19-25(36-37(9,10)30(4,5)6)13-15-31(23,7)27(26)14-16-32(28,33)8/h11,21-22,24-28,34H,12-20H2,1-10H3/t22-,24?,25+,26-,27+,28+,31+,32+/m1/s1
SMILES: CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O
InChI: InChI=1S/C13H13N3O3S2/c1-6-8(21-5-15-6)3-2-7-4-20-12-9(14)11(17)16(12)10(7)13(18)19/h2-3,5,9,12H,4,14H2,1H3,(H,18,19)/b3-2-/t9-,12-/m1/s1
SMILES: CCCC[C@@H]1[C@H](CC(O1)C2=CC=CC=C2)[Si](C)(C)C3=CC=CC=C3
InChI: InChI=1S/C22H30OSi/c1-4-5-16-20-22(24(2,3)19-14-10-7-11-15-19)17-21(23-20)18-12-8-6-9-13-18/h6-15,20-22H,4-5,16-17H2,1-3H3/t20-,21?,22+/m1/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)C3)O)C)\C)C
InChI: InChI=1S/C33H48O6/c1-6-29-22(4)12-13-32(39-29)18-24-16-26(38-32)11-10-21(3)14-20(2)8-7-9-25-19-37-31-30(35)23(5)15-27(28(34)17-24)33(25,31)36/h7-10,15,20,22,24,26-27,29-31,35-36H,6,11-14,16-19H2,1-5H3/b8-7+,21-10+,25-9+/t20-,22-,24+,26+,27-,29+,30+,31+,32+,33+/m0/s1
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H20F2N2O5/c1-11(18(26)23-17-14(21)7-4-8-15(17)22)29-16(25)9-10-24-19(27)12-5-2-3-6-13(12)20(24)28/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,26)/t11-,12-,13-/m0/s1
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N/NC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C22H19N3O5/c1-29-21-11-15(25(27)28)7-9-17(21)20-10-8-16(30-20)13-23-24-22(26)19-12-18(19)14-5-3-2-4-6-14/h2-11,13,18-19H,12H2,1H3,(H,24,26)/b23-13+/t18-,19+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CC2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C19H29N3O3S/c1-12-6-5-7-16(13(12)2)20-19(26)22-21-18(23)10-14-8-9-15(24-3)11-17(14)25-4/h8-9,11-13,16H,5-7,10H2,1-4H3,(H,21,23)(H2,20,22,26)/t12-,13+,16-/m0/s1
SMILES: CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl.C1=CC(=CC=C1CN2C=C(C3=C2C=CC(=C3)O)C(=O)C(=O)NC4=C(C=NC=C4Cl)Cl)F
InChI: InChI=1S/C24H31ClO7.C22H14Cl2FN3O3/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3;23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3;1-9,11,29H,10H2,(H,26,27,31)/t16-,17-,18-,19+,22-,23-,24-;/m0./s1
SMILES: CN1CC[C@]23[C@@H]4C5=NC6=CC=CC=C6C(=C5C[C@]2([C@H]1CC7=C3C(=C(C=C7)O)O4)O)N
InChI: InChI=1S/C24H23N3O3/c1-27-9-8-23-18-12-6-7-16(28)21(18)30-22(23)20-14(11-24(23,29)17(27)10-12)19(25)13-4-2-3-5-15(13)26-20/h2-7,17,22,28-29H,8-11H2,1H3,(H2,25,26)/t17-,22+,23+,24-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H31O11P/c1-17-23(34-18(2)27)24(35-19(3)28)25(36-20(4)29)26(33-17)37-38(30,31-15-21-11-7-5-8-12-21)32-16-22-13-9-6-10-14-22/h5-14,17,23-26H,15-16H2,1-4H3/t17-,23-,24+,25+,26-/m0/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=CC(=CC=C2)F)C(=O)O)C
InChI: InChI=1S/C16H18FNO3/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)18-12-5-3-4-11(17)8-12/h3-5,8,13-14H,6-7H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m1/s1
SMILES: COP(=O)(C1([C@@H]2CCC[C@@H]1[C@@H](N[C@H]2C3=CC=CC=C3)C4=CC=CC=C4)O)OC
InChI: InChI=1S/C22H28NO4P/c1-26-28(25,27-2)22(24)18-14-9-15-19(22)21(17-12-7-4-8-13-17)23-20(18)16-10-5-3-6-11-16/h3-8,10-13,18-21,23-24H,9,14-15H2,1-2H3/t18-,19-,20+,21+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@H]34)Br
InChI: InChI=1S/C18H25BrO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h10-12,14,16,21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C[C@@]23CS(=O)(=O)C[C@@H]2C[C@@H](C1=O)O3
InChI: InChI=1S/C15H24O5SSi/c1-14(2,3)22(4,5)20-12-7-15-9-21(17,18)8-10(15)6-11(19-15)13(12)16/h7,10-11H,6,8-9H2,1-5H3/t10-,11-,15+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NCC3=CC=CC=C3C
InChI: InChI=1S/C20H25N3O4/c1-13-7-3-5-9-15(13)11-21-17(24)12-22-18(25)19(26)23(20(22)27)16-10-6-4-8-14(16)2/h3,5,7,9,14,16H,4,6,8,10-12H2,1-2H3,(H,21,24)/t14-,16+/m0/s1
SMILES: CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(=O)C)C)[C@@H]5[C@H]([C@H](CO5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C37H30N2O7/c1-21-29-19-39(17-16-27(29)22(2)33-32(21)28-18-26(44-23(3)40)14-15-30(28)38-33)35-34(46-37(42)25-12-8-5-9-13-25)31(20-43-35)45-36(41)24-10-6-4-7-11-24/h4-19,31,34-35H,20H2,1-3H3/p+1/t31-,34-,35-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=CC=C6)O)C)C7=CC(=NN7C)C8=C(C9=C(S8)C=CC(=C9)Cl)C
InChI: InChI=1S/C42H37ClN4O5S/c1-5-22-9-12-25(13-10-22)46-38(49)28-15-14-27-30(35(28)40(46)51)19-31-39(50)47(41(52)42(31,3)36(27)23-7-6-8-26(48)17-23)34-20-32(44-45(34)4)37-21(2)29-18-24(43)11-16-33(29)53-37/h6-14,16-18,20,28,30-31,35-36,48H,5,15,19H2,1-4H3/t28-,30+,31-,35-,36-,42+/m0/s1
SMILES: C[C@@H]1CC(=O)C2=C1[C@@H]3[C@@H]([C@H](CC2=C)OC(=O)C(=C)C)C(=C)C(=O)O3
InChI: InChI=1S/C19H20O5/c1-8(2)18(21)23-13-7-10(4)14-12(20)6-9(3)15(14)17-16(13)11(5)19(22)24-17/h9,13,16-17H,1,4-7H2,2-3H3/t9-,13+,16-,17-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H]([C@@H](O1)NC(=O)C(C(=O)N)NC(=O)OC(C)(C)C)OC(O2)(C)C
InChI: InChI=1S/C16H27N3O7/c1-7-9-10(25-16(5,6)24-9)13(23-7)19-12(21)8(11(17)20)18-14(22)26-15(2,3)4/h7-10,13H,1-6H3,(H2,17,20)(H,18,22)(H,19,21)/t7-,8?,9-,10-,13-/m1/s1
SMILES: C[C@]12[C@@H](C(=C)CC[C@@H]1[C@]3([C@H](O[P@](=O)(OC3)O[P@]4(=O)O[C@H]5[C@]([C@@H]6[C@]([C@@H](C(=C)CC6)/C=C/C7=CCOC7=O)(CC5)C)(CO4)C)CC2)C)/C=C/C8=CCOC8=O
InChI: InChI=1S/C40H52O11P2/c1-25-7-13-31-37(3,29(25)11-9-27-17-21-45-35(27)41)19-15-33-39(31,5)23-47-52(43,49-33)51-53(44)48-24-40(6)32-14-8-26(2)30(12-10-28-18-22-46-36(28)42)38(32,4)20-16-34(40)50-53/h9-12,17-18,29-34H,1-2,7-8,13-16,19-24H2,3-6H3/b11-9+,12-10+/t29-,30-,31+,32+,33-,34-,37+,38+,39+,40+,52+,53+/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O
InChI: InChI=1S/C47H44N2O14/c1-58-25-26-62-46(57)48-35-22-17-28(11-10-16-33(42(53)59-2)43(54)60-3)27-34(35)47(45(48)56)36(41(51)52)38-44(55)63-39(30-14-8-5-9-15-30)37(29-12-6-4-7-13-29)49(38)40(47)31-18-20-32(21-19-31)61-24-23-50/h4-9,12-15,17-22,27,33,36-40,50H,16,23-26H2,1-3H3,(H,51,52)/t36-,37-,38-,39+,40+,47-/m0/s1
SMILES: C[C@H](CCC(C)(C)S(=O)(=O)C(C)(C)C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
InChI: InChI=1S/C30H48O4S/c1-20(15-17-29(6,7)35(33,34)28(3,4)5)25-13-14-26-22(10-9-16-30(25,26)8)11-12-23-18-24(31)19-27(32)21(23)2/h11-13,20,24,26-27,31-32H,2,9-10,14-19H2,1,3-8H3/b22-11+,23-12-/t20-,24+,26+,27-,30-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)N(C3=C(S2)C=C(C=C3)C)CCN(C)C)OC(=O)C
InChI: InChI=1S/C23H28N2O3S/c1-15-6-9-18(10-7-15)22-21(28-17(3)26)23(27)25(13-12-24(4)5)19-11-8-16(2)14-20(19)29-22/h6-11,14,21-22H,12-13H2,1-5H3/t21-,22-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]1[Se]C2=CC=CC=C2)COCC3=CC=CC=C3)F
InChI: InChI=1S/C20H21FO4Se/c1-14(22)24-19-18(21)17(13-23-12-15-8-4-2-5-9-15)25-20(19)26-16-10-6-3-7-11-16/h2-11,17-20H,12-13H2,1H3/t17-,18-,19+,20-/m1/s1
SMILES: CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C2=CC=CC=C2.[Cl-]
InChI: InChI=1S/C16H23NO2.ClH/c1-3-19-16(18)14-10-7-11-15(14)17-12(2)13-8-5-4-6-9-13;/h4-6,8-9,12,14-15,17H,3,7,10-11H2,1-2H3;1H/t12-,14-,15-;/m0./s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](N3C(=NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])NC2=C1)C5=C(C=CC6=CC=CC=C65)O)C
InChI: InChI=1S/C28H25N5O4S/c1-28(2)13-20-24(22(35)14-28)25(23-19-6-4-3-5-17(19)9-12-21(23)34)32-26(29-20)30-27(31-32)38-15-16-7-10-18(11-8-16)33(36)37/h3-13,24-25,34H,14-15H2,1-2H3,(H,29,30,31)/t24-,25-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C
InChI: InChI=1S/C17H18N2O3S/c1-10-3-5-12(6-4-10)14-9-23-17(18-14)19-15(20)8-22-16(21)13-7-11(13)2/h3-6,9,11,13H,7-8H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]2CC(CC[C@@H]2CN1C(=O)OC)CP(=O)(OCC)OCC
InChI: InChI=1S/C19H34NO7P/c1-5-25-18(21)17-11-16-10-14(13-28(23,26-6-2)27-7-3)8-9-15(16)12-20(17)19(22)24-4/h14-17H,5-13H2,1-4H3/t14?,15-,16-,17+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@]2([C@@H](CC[C@]2(C)O)CS1)C(=O)OCC
InChI: InChI=1S/C14H22O5S/c1-4-18-11(15)10-14(12(16)19-5-2)9(8-20-10)6-7-13(14,3)17/h9-10,17H,4-8H2,1-3H3/t9-,10+,13-,14-/m0/s1
SMILES: CC1=C([C@]2(CCCC([C@@H]2[C@@H]([C@H]1O)OC(=O)CC(C)C)(C)C)C)CC/C(=C/CO)/C
InChI: InChI=1S/C25H42O4/c1-16(2)15-20(27)29-22-21(28)18(4)19(10-9-17(3)11-14-26)25(7)13-8-12-24(5,6)23(22)25/h11,16,21-23,26,28H,8-10,12-15H2,1-7H3/b17-11+/t21-,22+,23-,25+/m0/s1
SMILES: CC(C)C[Te]1([C@H]([C@@H](O1)C2=CC=C(C=C2)Cl)C#C[Si](C)(C)C)CC(C)C
InChI: InChI=1S/C21H33ClOSiTe/c1-16(2)14-25(15-17(3)4)20(12-13-24(5,6)7)21(23-25)18-8-10-19(22)11-9-18/h8-11,16-17,20-21H,14-15H2,1-7H3/t20-,21-/m0/s1
SMILES: CCC(=O)N(C1=CC=CC=C1)[C@]2(CCN(C[C@H]2C)CC(=O)C3=CC=CC=C3)C(=O)OCC
InChI: InChI=1S/C26H32N2O4/c1-4-24(30)28(22-14-10-7-11-15-22)26(25(31)32-5-2)16-17-27(18-20(26)3)19-23(29)21-12-8-6-9-13-21/h6-15,20H,4-5,16-19H2,1-3H3/t20-,26+/m1/s1
SMILES: CNC1=CC=CC=C1C(=O)NCCCCCC(=O)O[C@H]2C[C@@H](O[C@@H]2COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N3C=CC(=NC3=O)N
InChI: InChI=1S/C23H34N5O15P3/c1-25-16-8-5-4-7-15(16)22(30)26-11-6-2-3-9-21(29)41-17-13-20(28-12-10-19(24)27-23(28)31)40-18(17)14-39-45(35,36)43-46(37,38)42-44(32,33)34/h4-5,7-8,10,12,17-18,20,25H,2-3,6,9,11,13-14H2,1H3,(H,26,30)(H,35,36)(H,37,38)(H2,24,27,31)(H2,32,33,34)/t17-,18+,20+/m0/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)/C)OC)OC(=O)N)\C)C)OC)OC
InChI: InChI=1S/C35H52N4O8/c1-21-17-25-30(37-13-16-39-14-8-9-15-39)27(40)20-26(31(25)41)38-34(42)22(2)11-10-12-28(44-5)33(47-35(36)43)24(4)19-23(3)32(46-7)29(18-21)45-6/h10-12,19-21,23,28-29,32-33,37H,8-9,13-18H2,1-7H3,(H2,36,43)(H,38,42)/b12-10-,22-11+,24-19+/t21-,23+,28+,29+,32-,33+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1=CC(=CC(=C1)I)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C10H13N5O4.C8H11IO7P2/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8;9-7-3-1-2-6(4-7)5-8(10,17(11,12)13)18(14,15)16/h3,6-8,16H,2,4H2,1H3,(H,12,17,18);1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)/t6-,7+,8+;/m0./s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)O
InChI: InChI=1S/C36H33N3O6/c1-24-17-19-25(20-18-24)34(42)44-23-29-31(40)32(41)33(45-29)39-22-21-30(37-35(39)43)38-36(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-22,29,31-33,40-41H,23H2,1H3,(H,37,38,43)/t29-,31-,32-,33-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN(C)CC(=O)NC2=C(C=CC=C2Cl)Cl
InChI: InChI=1S/C19H27Cl2N3O2/c1-12-6-4-9-16(13(12)2)22-17(25)10-24(3)11-18(26)23-19-14(20)7-5-8-15(19)21/h5,7-8,12-13,16H,4,6,9-11H2,1-3H3,(H,22,25)(H,23,26)/t12-,13-,16+/m1/s1
SMILES: CC1=NN([C@]2([C@@H]1O)C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4
InChI: InChI=1S/C18H17N3O2/c1-12-16(22)18(21(19-12)13-8-4-3-5-9-13)15-11-7-6-10-14(15)17(23)20(18)2/h3-11,16,22H,1-2H3/t16-,18+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C(=CC[C@@]3([C@]2(C(=O)N(C3=O)CBr)Cl)Cl)C=C)O
InChI: InChI=1S/C18H16BrCl2NO3/c1-3-11-6-7-17(20)15(24)22(9-19)16(25)18(17,21)14(11)12-4-5-13(23)10(2)8-12/h3-6,8,14,23H,1,7,9H2,2H3/t14-,17-,18+/m1/s1
SMILES: C[C@@H]1CC[C@H]2C(=C)[C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(O4)C)OO
InChI: InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(19-16)17-13-15(11)10(8)6-7-14(3,18-13)20-15/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11+,12+,13-,14-,15-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@]3([C@H](O2)CN=C3NCCC(=O)OC)OS(=O)(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H36N4O9SSi/c1-13-12-26(20(29)25-17(13)28)18-16(34-37(7,8)21(2,3)4)22(35-36(6,30)31)14(33-18)11-24-19(22)23-10-9-15(27)32-5/h12,14,16,18H,9-11H2,1-8H3,(H,23,24)(H,25,28,29)/t14-,16+,18-,22-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H]2C[C@H](N1C(=O)C)[C@@H]3[C@H]2O3
InChI: InChI=1S/C11H15NO4/c1-3-15-11(14)8-6-4-7(10-9(6)16-10)12(8)5(2)13/h6-10H,3-4H2,1-2H3/t6-,7-,8-,9-,10+/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCC)C)C[C@H]([C@@H](C3=O)C(=O)OCC)C4=CC(=CC=C4)OC
InChI: InChI=1S/C31H35NO6/c1-6-19-12-14-20(15-13-19)26-25(30(34)37-7-2)18(4)32-24-17-23(21-10-9-11-22(16-21)36-5)27(29(33)28(24)26)31(35)38-8-3/h9-16,23,26-28H,6-8,17H2,1-5H3/t23-,26+,27-,28?/m0/s1