EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=C(C=C5)C)CC
InChI: InChI=1S/C45H69N5O10/c1-13-35-45(14-2)39(50(43(55)60-45)20-16-15-19-49-24-33(47-25-49)32-18-17-27(4)46-23-32)29(6)36(51)26(3)22-44(9,56-12)40(30(7)37(52)31(8)41(54)58-35)59-42-38(53)34(48(10)11)21-28(5)57-42/h17-18,23-26,28-31,34-35,38-40,42,53H,13-16,19-22H2,1-12H3/t26-,28-,29+,30+,31-,34+,35-,38-,39+,40-,42?,44+,45-/m1/s1
SMILES: C[C@@H]1CCC2=C(C(=O)C[C@@H]3[C@H]([C@H]12)[C@]3(C)CO)C
InChI: InChI=1S/C15H22O2/c1-8-4-5-10-9(2)12(17)6-11-14(13(8)10)15(11,3)7-16/h8,11,13-14,16H,4-7H2,1-3H3/t8-,11-,13-,14-,15-/m1/s1
SMILES: CC1([C@H](N2[C@H]([S@]1=O)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C
InChI: InChI=1S/C16H19N3O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)25(16)24)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11-,14-,25-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N3C[C@@H](OC4=CC=CC=C43)C(=O)NC
InChI: InChI=1S/C21H26N4O5/c1-13-7-5-6-10-21(13)19(28)25(20(29)23-21)12-17(26)24-11-16(18(27)22-2)30-15-9-4-3-8-14(15)24/h3-4,8-9,13,16H,5-7,10-12H2,1-2H3,(H,22,27)(H,23,29)/t13-,16+,21+/m0/s1
SMILES: COC(=O)[C@H]1[C@H](NC(=O)NC1=C)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C14H13F3N2O3/c1-7-10(12(20)22-2)11(19-13(21)18-7)8-3-5-9(6-4-8)14(15,16)17/h3-6,10-11H,1H2,2H3,(H2,18,19,21)/t10-,11-/m1/s1
SMILES: C[Si](C)([C@@H]1[C@H]2[C@@H](CCN2C[C@@H]([C@H]1O)O)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H29NO4Si/c1-29(2,17-11-7-4-8-12-17)22-20-19(13-14-24(20)15-18(25)21(22)26)28-23(27)16-9-5-3-6-10-16/h3-12,18-22,25-26H,13-15H2,1-2H3/t18-,19+,20+,21+,22+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)C(=O)NC(C)C)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(C=C7)C8=CC=CC=C8)C
InChI: InChI=1S/C50H64N2O4/c1-33(2)51-47(55)52(31-49-28-36-23-37(29-49)25-38(24-36)30-49)32-50(56)22-20-45-43-19-13-35(26-42(53)18-12-34(3)9-8-21-48(45,50)4)27-44(43)46(54)41-16-14-40(15-17-41)39-10-6-5-7-11-39/h5-7,9-11,13-17,19,27,33,36-38,42,45,53,56H,8,12,18,20-26,28-32H2,1-4H3,(H,51,55)/t36?,37?,38?,42-,45-,48-,49?,50+/m0/s1
SMILES: COC1=CCC2=C(C1)CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4O)C(F)(F)F
InChI: InChI=1S/C19H23F3O2/c1-24-12-3-5-13-11(10-12)2-4-15-14(13)8-9-18(19(20,21)22)16(15)6-7-17(18)23/h3,6,14-15,17,23H,2,4-5,7-10H2,1H3/t14-,15-,17+,18-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@H]2CC[C@]4([C@@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C#N)C
InChI: InChI=1S/C23H31NO3/c1-20(2)26-19-12-18-16-6-5-14-11-15(25)7-9-21(14,3)17(16)8-10-22(18,4)23(19,13-24)27-20/h11,16-19H,5-10,12H2,1-4H3/t16-,17-,18-,19-,21+,22+,23-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C20H23N3O6/c1-12-6-2-5-9-15(12)21-20(28)22-16(24)11-29-17(25)10-23-18(26)13-7-3-4-8-14(13)19(23)27/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H2,21,22,24,28)/t12-,15-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[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)CCC(=O)O
InChI: InChI=1S/C37H31Cl2F3N4O8/c1-2-54-26-5-3-4-22(30(26)49)29-20-10-11-21-28(34(52)45(32(21)50)13-12-27(47)48)23(20)15-24-33(51)46(35(53)36(24,29)17-6-8-19(38)9-7-17)44-31-25(39)14-18(16-43-31)37(40,41)42/h3-10,14,16,21,23-24,28-29,49H,2,11-13,15H2,1H3,(H,43,44)(H,47,48)/t21-,23+,24-,28-,29+,36+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C20H27ClN2O4/c1-12-5-4-6-17(13(12)2)23-19(25)14(3)27-18(24)11-22-20(26)15-7-9-16(21)10-8-15/h7-10,12-14,17H,4-6,11H2,1-3H3,(H,22,26)(H,23,25)/t12-,13-,14-,17-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C(=O)CCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H48N2O6Si2/c1-29(2,3)39(7,8)36-20-25-24(38-40(9,10)30(4,5)6)18-26(37-25)32-19-22(27(34)31-28(32)35)23(33)17-16-21-14-12-11-13-15-21/h11-15,19,24-26H,16-18,20H2,1-10H3,(H,31,34,35)/t24-,25+,26+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3Br
InChI: InChI=1S/C17H20BrN3O3/c1-11-6-4-5-9-17(11)15(23)21(16(24)20-17)10-14(22)19-13-8-3-2-7-12(13)18/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,19,22)(H,20,24)/t11-,17-/m1/s1
SMILES: CC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC)NC(=O)N(C)CC4=CC=CC=N4)NC(=O)N(C)CC5=CC=CC=N5
InChI: InChI=1S/C42H52N8O5/c1-5-33(47-41(53)49(3)27-31-21-13-15-23-43-31)39(51)45-35(25-29-17-9-7-10-18-29)37-38(55-37)36(26-30-19-11-8-12-20-30)46-40(52)34(6-2)48-42(54)50(4)28-32-22-14-16-24-44-32/h7-24,33-38H,5-6,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35-,36-,37-,38+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)O
InChI: InChI=1S/C35H19Cl2F11N2O6/c1-56-14-2-3-16(19(51)9-14)21-15-4-5-17-20(29(53)49(28(17)52)13-7-11(34(43,44)45)6-12(8-13)35(46,47)48)18(15)10-32(36)30(54)50(31(55)33(21,32)37)27-25(41)23(39)22(38)24(40)26(27)42/h2-4,6-9,17-18,20-21,51H,5,10H2,1H3/t17-,18+,20-,21+,32+,33-/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3(C2CC6=C4C(=C(C=C6)O)O5)OCC7=CC=CC=C7Cl
InChI: InChI=1S/C27H28ClNO4/c28-19-4-2-1-3-18(19)15-32-27-10-9-21(31)25-26(27)11-12-29(14-16-5-6-16)22(27)13-17-7-8-20(30)24(33-25)23(17)26/h1-4,7-8,16,22,25,30H,5-6,9-15H2/t22?,25-,26-,27+/m0/s1
SMILES: C[C@]12C[C@H](C[C@]13ON=C(S3)C4=CC=C(C=C4)Cl)C(C2)(C)C
InChI: InChI=1S/C17H20ClNOS/c1-15(2)10-16(3)8-12(15)9-17(16)20-19-14(21-17)11-4-6-13(18)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-,16-,17-/m1/s1
SMILES: C([C@@]1([C@H]2[C@@H]3[C@@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O
InChI: InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6+,7+,9+,10-,11+/m1/s1
SMILES: COC(=O)CCCCCC[C@H]1[C@@H](C[C@H]([C@@H]1C2=CC3=C(C=C2)C(CC3)O)O)Cl
InChI: InChI=1S/C22H31ClO4/c1-27-21(26)7-5-3-2-4-6-17-18(23)13-20(25)22(17)15-8-10-16-14(12-15)9-11-19(16)24/h8,10,12,17-20,22,24-25H,2-7,9,11,13H2,1H3/t17-,18+,19?,20+,22+/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC[C@@H](C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C24H40N2O2/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21/h4-8,19-20,22-24,27H,9-18H2,1-3H3/p+2/t20-,22+,23+,24+/m0/s1
SMILES: CCCC[C@@H]1[C@H]2CCO[C@]34[C@H]2C(=C([C@H]1[C@]3(/C(=C/[Sn](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/CO4)O)C(=O)OC)C(=O)OC
InChI: InChI=1S/C21H27O7.3C6H5.Sn/c1-5-6-7-12-13-8-9-27-21-17(13)15(19(23)26-4)14(18(22)25-3)16(12)20(21,24)11(2)10-28-21;3*1-2-4-6-5-3-1;/h2,12-13,16-17,24H,5-10H2,1,3-4H3;3*1-5H;/t12-,13-,16+,17-,20+,21+;;;;/m1..../s1
SMILES: CC1=CC=C(C=C1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CCC5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C34H52O/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-28(35-27-13-10-24(3)11-14-27)18-20-33(26,5)32(29)19-21-34(30,31)6/h10-14,23,25,28-32H,7-9,15-22H2,1-6H3/t25-,28+,29+,30-,31?,32?,33+,34-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCC1)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H27N3O6/c1-11(22-16(24)13-8-4-5-9-14(13)17(22)25)18(26)28-10-15(23)21-19(27)20-12-6-2-3-7-12/h11-14H,2-10H2,1H3,(H2,20,21,23,27)/t11-,13+,14+/m0/s1
SMILES: C1COC2(O1)[C@@]3([C@H]([C@@]3(C(=[NH+]2)N)C#N)CC4=CC=CC=C4)C#N
InChI: InChI=1S/C16H14N4O2/c17-9-14-12(8-11-4-2-1-3-5-11)15(14,10-18)16(20-13(14)19)21-6-7-22-16/h1-5,12H,6-8H2,(H2,19,20)/p+1/t12-,14+,15+/m0/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC4=C(C=C3)NN=C4)CC5=CC=CC(=C5)CCO)CC6=CC=CC=C6)O)O
InChI: InChI=1S/C36H38N4O4/c41-17-16-27-12-7-13-28(18-27)23-39-32(20-25-8-3-1-4-9-25)34(42)35(43)33(21-26-10-5-2-6-11-26)40(36(39)44)24-29-14-15-31-30(19-29)22-37-38-31/h1-15,18-19,22,32-35,41-43H,16-17,20-21,23-24H2,(H,37,38)/t32-,33-,34+,35+/m1/s1
SMILES: CCOP(=O)(C[C@H]1CC[C@H]([C@@H](C1)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)OCC
InChI: InChI=1S/C21H45O9P3/c1-7-25-31(22,26-8-2)16-19-13-14-20(17-32(23,27-9-3)28-10-4)21(15-19)18-33(24,29-11-5)30-12-6/h19-21H,7-18H2,1-6H3/t19-,20-,21-/m0/s1
SMILES: C[C@H]1[C@H]2CC(=O)O[C@H](O2)[C@H]([C@H]1OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H20O4/c1-10-13-8-14(17)20-16(19-13)11(2)15(10)18-9-12-6-4-3-5-7-12/h3-7,10-11,13,15-16H,8-9H2,1-2H3/t10-,11-,13+,15-,16-/m0/s1
SMILES: C1[C@@H]([C@H](N(O1)C2=CC=CC=C2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H24NO2P/c29-31(24-17-9-3-10-18-24,25-19-11-4-12-20-25)26-21-30-28(23-15-7-2-8-16-23)27(26)22-13-5-1-6-14-22/h1-20,26-27H,21H2/t26-,27+/m0/s1
SMILES: COC(=O)C1=CC2=C(N1)C(=O)C[C@H]3[C@@H]2CC(=CN3C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C28H26N2O6/c1-34-27(32)23-13-22-21-12-20(35-16-18-8-4-2-5-9-18)15-30(24(21)14-25(31)26(22)29-23)28(33)36-17-19-10-6-3-7-11-19/h2-11,13,15,21,24,29H,12,14,16-17H2,1H3/t21-,24+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)I
InChI: InChI=1S/C30H25IN2O7/c1-19-12-14-22(15-13-19)33-27(34)23(31)17-32(30(33)37)26-16-24(40-29(36)21-10-6-3-7-11-21)25(39-26)18-38-28(35)20-8-4-2-5-9-20/h2-15,17,24-26H,16,18H2,1H3/t24-,25+,26+/m0/s1
SMILES: CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C)C)C(C)C)CC4=CC=CC=C4)C
InChI: InChI=1S/C37H54N6O8/c1-8-22(4)30-36(49)43-19-13-17-27(43)35(48)42-18-12-16-26(42)34(47)41(7)28(20-25-14-10-9-11-15-25)32(45)39-29(21(2)3)37(50)51-23(5)31(33(46)40-30)38-24(6)44/h9-11,14-15,21-23,26-31H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,46)/t22-,23+,26-,27-,28-,29-,30+,31-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2CN3C(=S)N(C(=N3)C4=CC=CC=C4F)C5CC5
InChI: InChI=1S/C21H27FN4S/c22-18-9-3-2-8-17(18)20-23-25(21(27)26(20)16-11-12-16)14-24-13-5-7-15-6-1-4-10-19(15)24/h2-3,8-9,15-16,19H,1,4-7,10-14H2/t15-,19+/m1/s1
SMILES: CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)C3=C[C@@H]4[C@@H]5C[C@@]3(O2)C(=O)[C@]4(OC5(C)C)CC=C(C)C)C
InChI: InChI=1S/C29H34O6/c1-15(2)8-9-17-21(30)13-22(33-7)23-24(31)19-12-18-20-14-29(19,34-25(17)23)26(32)28(18,11-10-16(3)4)35-27(20,5)6/h8,10,12-13,18,20,30H,9,11,14H2,1-7H3/t18-,20+,28+,29+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)COC2=CC(=CC=C2)F
InChI: InChI=1S/C17H24FN3O2S/c1-11-5-3-8-15(12(11)2)19-17(24)21-20-16(22)10-23-14-7-4-6-13(18)9-14/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H,20,22)(H2,19,21,24)/t11-,12+,15-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](O2)OCCCl)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H31ClO14/c1-10(24)30-8-15-17(32-11(2)25)20(35-14(5)28)22(37-15)31-9-16-18(33-12(3)26)19(34-13(4)27)21(36-16)29-7-6-23/h15-22H,6-9H2,1-5H3/t15-,16-,17-,18-,19+,20+,21+,22+/m1/s1
SMILES: C1CCC(CC1)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O
InChI: InChI=1S/C16H23NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h10-14H,1-9H2/t11-,12+,13+,14-
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NC2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C
InChI: InChI=1S/C17H27N3O3S2/c1-12-7-5-6-8-14(12)19-17(24)18-13-9-10-15(23-4)16(11-13)25(21,22)20(2)3/h9-12,14H,5-8H2,1-4H3,(H2,18,19,24)/t12-,14+/m1/s1
SMILES: CN(C)CCCNC(=O)C1=CC(=CN1[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)C3=CC(=CN3[C@@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C5=CSC(=N5)NC=O
InChI: InChI=1S/C32H44N8O14S/c1-38(2)5-3-4-33-28(51)17-6-15(9-39(17)30-25(48)23(46)21(44)19(10-41)53-30)36-29(52)18-7-14(35-27(50)16-12-55-32(37-16)34-13-43)8-40(18)31-26(49)24(47)22(45)20(11-42)54-31/h6-9,12-13,19-26,30-31,41-42,44-49H,3-5,10-11H2,1-2H3,(H,33,51)(H,35,50)(H,36,52)(H,34,37,43)/t19-,20-,21-,22-,23-,24-,25-,26-,30+,31+/m1/s1
SMILES: C1CCC(CC1)N2C[C@]3(C4=CC=CC=C4N[C@]3(C2=O)[NH3+])CC5=CC=CC=C5
InChI: InChI=1S/C23H27N3O/c24-23-21(27)26(18-11-5-2-6-12-18)16-22(23,15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-23/h1,3-4,7-10,13-14,18,25H,2,5-6,11-12,15-16,24H2/p+1/t22-,23-/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@H]([C@H]1[C@@H]([C@@H]2O)O)C(=O)N(C3=O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C15H14ClNO4/c16-6-2-1-3-7(4-6)17-14(20)10-8-5-9(11(10)15(17)21)13(19)12(8)18/h1-4,8-13,18-19H,5H2/t8-,9+,10-,11-,12-,13+/m0/s1
SMILES: CCOC[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4[C@@]([C@H]3CC[C@@]2([C@H]1O)C)(C=CC(=O)N4C)C
InChI: InChI=1S/C22H35NO3/c1-5-26-13-14-12-17-15-6-7-18-21(2,11-9-19(24)23(18)4)16(15)8-10-22(17,3)20(14)25/h9,11,14-18,20,25H,5-8,10,12-13H2,1-4H3/t14-,15+,16-,17-,18+,20-,21+,22-/m0/s1
SMILES: CSC1=CC=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)OCCCl)OCC=C
InChI: InChI=1S/C55H60ClN3O10S/c1-3-30-66-55-51(58(54(62)65-31-27-56)35-40-14-10-13-38-11-4-5-15-45(38)40)34-49(57-67-36-37-17-19-41(20-18-37)59(63)64)47-32-39(12-6-8-28-60)46(16-7-9-29-61)52(53(47)55)48-33-43(23-26-50(48)69-55)68-42-21-24-44(70-2)25-22-42/h3-5,10-11,13-15,17-26,32-33,39,46,51-53,60-61H,1,6-9,12,16,27-31,34-36H2,2H3/t39-,46+,51-,52+,53+,55+/m0/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)[O-]
InChI: InChI=1S/C18H20N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h1-5,8,11,14-15,20H,6-7,9-10H2,(H,19,21)(H,22,23)/p-1/t14-,15+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3CC=C)C(=O)NCCCN(C)C)C4=C2C1=CC=C4
InChI: InChI=1S/C32H52N4OSi/c1-10-16-35-20-26(32(37)33-15-12-17-34(8)9)18-28-27-13-11-14-29-31(27)25(19-30(28)35)21-36(29)38(22(2)3,23(4)5)24(6)7/h10-11,13-14,21-24,26,28,30H,1,12,15-20H2,2-9H3,(H,33,37)/t26-,28-,30-/m1/s1
SMILES: CC/C=C(\C)/C(C(C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C32H49NO9/c1-9-11-20(4)29(42-32-28(38)27(37)26(36)24(17-34)41-32)21(5)16-19(3)13-10-12-18(2)14-15-23-22(6)25(35)30(39-7)31(33-23)40-8/h10-11,13-14,16,21,24,26-29,32,34,36-38H,9,12,15,17H2,1-8H3,(H,33,35)/b13-10+,18-14+,19-16+,20-11+/t21?,24-,26-,27+,28-,29?,32+/m1/s1
SMILES: COC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C22H27NO9/c1-29-13-5-3-12(4-6-13)10-23-21(28)15-8-7-14(30-2)9-16(15)31-22-20(27)19(26)18(25)17(11-24)32-22/h3-9,17-20,22,24-27H,10-11H2,1-2H3,(H,23,28)/t17-,18-,19+,20-,22-/m1/s1
SMILES: CC(=O)C1=C([C@@]23CC(=C([C@]2(C1)C(=O)NC3=O)N)C(=O)C)N
InChI: InChI=1S/C14H15N3O4/c1-5(18)7-3-13-10(16)8(6(2)19)4-14(13,9(7)15)12(21)17-11(13)20/h3-4,15-16H2,1-2H3,(H,17,20,21)/t13-,14-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)NN=C3C(=O)OC
InChI: InChI=1S/C14H13N3O5/c1-21-8-5-3-7(4-6-8)17-12(18)9-10(13(17)19)15-16-11(9)14(20)22-2/h3-6,9-10,15H,1-2H3/t9-,10+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](COC([C@H]2O1)OCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C21H34O5Si/c1-20(2,3)27(6,7)26-16-14-23-19(18-17(16)24-21(4,5)25-18)22-13-15-11-9-8-10-12-15/h8-12,16-19H,13-14H2,1-7H3/t16-,17+,18+,19?/m1/s1
SMILES: C[C@@H]1C[NH+](C[C@@H]1C2=CC=CC=C2)CCC(=O)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C22H25NO3/c1-16-14-23(15-19(16)17-5-3-2-4-6-17)10-9-20(24)18-7-8-21-22(13-18)26-12-11-25-21/h2-8,13,16,19H,9-12,14-15H2,1H3/p+1/t16-,19+/m1/s1
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O
InChI: InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13+,16+/m0/s1
SMILES: CCOC1=C2CN3C[C@H]4[C@@H](OC=C([C@H]4C[C@H]3C2=NC5=CC=CC=C51)COC)C
InChI: InChI=1S/C23H28N2O3/c1-4-27-23-16-7-5-6-8-20(16)24-22-19(23)11-25-10-18-14(2)28-13-15(12-26-3)17(18)9-21(22)25/h5-8,13-14,17-18,21H,4,9-12H2,1-3H3/t14-,17+,18-,21-/m0/s1
SMILES: CCC[C@H]1CC2=C([C@H]([C@H]3[C@@H](C2=O)O3)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChI: InChI=1S/C18H28O5Si/c1-7-8-10-9-11-12(17(20)21-10)14(16-15(22-16)13(11)19)23-24(5,6)18(2,3)4/h10,14-16H,7-9H2,1-6H3/t10-,14+,15+,16-/m0/s1
SMILES: C([C@H](C([C@H]1[C@@H]([C@@H]([C@H]([C@@](O1)(C(=O)O)O)F)O)O)O)O)O
InChI: InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3?,4-,5+,6+,7-,9-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)O)CS(=O)(=O)N3CCC4(CC3)C=CC5=CC(=C(C=C45)F)F)C
InChI: InChI=1S/C23H29F2NO3S/c1-21(2)16-4-6-23(21,20(27)12-16)14-30(28,29)26-9-7-22(8-10-26)5-3-15-11-18(24)19(25)13-17(15)22/h3,5,11,13,16,20,27H,4,6-10,12,14H2,1-2H3/t16-,20+,23-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OCC6=CC=CC=C6)CCN3C
InChI: InChI=1S/C38H51NO4/c1-3-4-5-6-7-8-9-10-11-12-16-19-34(40)42-33-23-21-30-31-26-29-20-22-32(41-27-28-17-14-13-15-18-28)36-35(29)38(30,37(33)43-36)24-25-39(31)2/h13-15,17-18,20-23,30-31,33,37H,3-12,16,19,24-27H2,1-2H3/t30-,31+,33-,37-,38-/m0/s1
SMILES: C[C@@H]1CCC2[C@@]([C@@H](O[C@H]3[C@@]24C1CC[C@@](O3)(OO4)C)O)(C)O
InChI: InChI=1S/C15H24O6/c1-8-4-5-10-14(3,17)11(16)18-12-15(10)9(8)6-7-13(2,19-12)20-21-15/h8-12,16-17H,4-7H2,1-3H3/t8-,9?,10?,11-,12-,13+,14-,15-/m1/s1
SMILES: C1[C@H]([C@@H](O[C@@H]1N2C3=NC=NC(=C3N=N2)N)CO[P+](=O)O[P+](=O)O[P+](=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O
InChI: InChI=1S/C18H21N8O14P3/c19-15-12-16(21-6-20-15)26(24-23-12)11-3-7(27)8(37-11)4-35-41(32)39-43(34)40-42(33)36-5-9-13(29)14(30)17(38-9)25-2-1-10(28)22-18(25)31/h1-2,6-9,11,13-14,17,27,29-30H,3-5H2,(H2-,19,20,21,22,24,28,31)/q+2/p+1/t7-,8+,9-,11+,13-,14-,17-/m1/s1
SMILES: C[C@]12C=C[C@@]3(C4=CC=CC=C41)C(=O)N(C(=O)[C@]35C=C[C@H](C6=CC=CC=C56)OO2)CC7=CC=CC=C7
InChI: InChI=1S/C30H23NO4/c1-28-17-18-30(24-14-8-7-13-23(24)28)27(33)31(19-20-9-3-2-4-10-20)26(32)29(30)16-15-25(34-35-28)21-11-5-6-12-22(21)29/h2-18,25H,19H2,1H3/t25-,28+,29-,30-/m1/s1
SMILES: C[C@H]1C[C@@]([C@@H](C[NH+]1C)C)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)O
InChI: InChI=1S/C19H32N2O3/c1-14-13-21(3)15(2)11-19(14,22)8-9-20-12-16-6-7-17(23-4)18(10-16)24-5/h6-7,10,14-15,20,22H,8-9,11-13H2,1-5H3/p+2/t14-,15+,19-/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)[C@@H]3CCS(=O)(=O)C3
InChI: InChI=1S/C14H18N2O4S/c1-9-6-12(9)13-3-2-11(20-13)7-15-16-14(17)10-4-5-21(18,19)8-10/h2-3,7,9-10,12H,4-6,8H2,1H3,(H,16,17)/b15-7-/t9-,10+,12-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC[C@@H]2C[C@H]2C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C31H33F3O7S/c1-21-27(37-18-22-11-5-2-6-12-22)28(38-19-23-13-7-3-8-14-23)29(41-42(35,36)31(32,33)34)30(40-21)39-20-25-17-26(25)24-15-9-4-10-16-24/h2-16,21,25-30H,17-20H2,1H3/t21-,25-,26-,27-,28+,29-,30-/m0/s1
SMILES: CC(=O)/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC
InChI: InChI=1S/C20H20N2O5S/c1-12(23)8-9-14-11-28-19-16(18(25)22(19)17(14)20(26)27-2)21-15(24)10-13-6-4-3-5-7-13/h3-9,16,19H,10-11H2,1-2H3,(H,21,24)/b9-8+/t16-,19-/m1/s1
SMILES: C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[C@H](C(=O)N1)[C@@H](C)O
InChI: InChI=1S/C14H29NO3Si/c1-9(8-18-19(6,7)14(3,4)5)12-11(10(2)16)13(17)15-12/h9-12,16H,8H2,1-7H3,(H,15,17)/t9-,10+,11+,12+/m0/s1
SMILES: CC[Si](CC)(CC)OCC[C@H]1[C@@H]([C@H]2/C(=C(/C=C)\O)/C(=O)[C@@H]1[C@@]2(C=C)O[Si](CC)(CC)CC)CCCCC/C=C/C
InChI: InChI=1S/C34H60O4Si2/c1-10-19-20-21-22-23-24-27-28(25-26-37-39(13-4,14-5)15-6)32-33(36)30(29(35)11-2)31(27)34(32,12-3)38-40(16-7,17-8)18-9/h10-12,19,27-28,31-32,35H,2-3,13-18,20-26H2,1,4-9H3/b19-10+,30-29+/t27-,28-,31-,32+,34-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O
InChI: InChI=1S/C19H27N3O4S/c1-14-5-2-3-6-17(14)21-18(23)13-20-27(25,26)16-10-8-15(9-11-16)22-12-4-7-19(22)24/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,21,23)/t14-,17+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@]2(O1)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4
InChI: InChI=1S/C19H17NO4/c1-2-23-17(21)16-19(24-16)14-10-6-7-11-15(14)20(18(19)22)12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3/t16-,19+/m0/s1
SMILES: CC[NH+](CC)CCC[NH2+]CC(=O)N[C@]1([C@@H]2CC[C@@H](C2)C1(C)C)C
InChI: InChI=1S/C19H37N3O/c1-6-22(7-2)12-8-11-20-14-17(23)21-19(5)16-10-9-15(13-16)18(19,3)4/h15-16,20H,6-14H2,1-5H3,(H,21,23)/p+2/t15-,16+,19-/m0/s1
SMILES: C1[C@H]2[C@H](N2)C3N1C4=C([C@H]3COC(=O)N)C(=O)C(=CC4=O)N
InChI: InChI=1S/C13H14N4O4/c14-5-1-7(18)11-8(12(5)19)4(3-21-13(15)20)10-9-6(16-9)2-17(10)11/h1,4,6,9-10,16H,2-3,14H2,(H2,15,20)/t4-,6+,9+,10?/m1/s1
SMILES: CCC[C@@H]1CO[C@@H]2[C@H](O1)[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C11H20O6/c1-2-3-6-5-15-11-10(16-6)9(14)8(13)7(4-12)17-11/h6-14H,2-5H2,1H3/t6-,7-,8-,9+,10-,11+/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2CC3CCC2C3)C4=CC5=C(C=C4)OCO5)CCOCCOCCO
InChI: InChI=1S/C28H39NO8/c1-2-34-28-21(7-9-32-11-12-33-10-8-30)22(19-5-6-24-25(15-19)36-17-35-24)16-26(37-28)27(31)29-23-14-18-3-4-20(23)13-18/h5-6,15-16,18,20-23,28,30H,2-4,7-14,17H2,1H3,(H,29,31)/t18?,20?,21-,22-,23?,28-/m1/s1
SMILES: COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)CC4=CC=CC=C4)OC
InChI: InChI=1S/C23H26N2O3/c1-27-20-13-12-17(14-21(20)28-2)22-18-10-6-7-11-19(18)23(26)25(24-22)15-16-8-4-3-5-9-16/h3-5,8-9,12-14,18-19H,6-7,10-11,15H2,1-2H3/t18-,19+/m0/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@@]2([C@@H]3C[C@H]([C@@]4([C@@H]([C@@]3(CO1)[C@H]([C@H]([C@H]2OC(=O)C)O)O)C(=O)[C@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)O)C)O)C
InChI: InChI=1S/C33H44O12/c1-7-14(2)27(40)44-28-29(4)18-11-19(35)31(6)23(32(18,13-42-28)25(39)22(37)26(29)43-15(3)34)21(36)24(38)30(5)17(16-8-9-41-12-16)10-20-33(30,31)45-20/h8-9,12,14,17-20,22-26,28,35,37-39H,7,10-11,13H2,1-6H3/t14?,17-,18-,19+,20+,22+,23-,24+,25-,26+,28-,29+,30+,31+,32-,33+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O[C@@H]([C@H]2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC#N)C
InChI: InChI=1S/C29H29NO4/c1-28(2)33-26-24(18-19-30)32-25(27(26)34-28)20-31-29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-27H,18,20H2,1-2H3/t24-,25+,26-,27+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5
InChI: InChI=1S/C24H31N3O2S/c28-22(26-14-13-17-7-1-2-8-18(17)15-26)16-30-24-25-21-12-6-5-11-20(21)23(29)27(24)19-9-3-4-10-19/h5-6,11-12,17-19H,1-4,7-10,13-16H2/t17-,18+/m1/s1
SMILES: CC(C)C1=C2C3=CC(=O)O[C@@H]([C@]3(CC[C@]2(CC1)C)C)CCCOC4CCCCO4
InChI: InChI=1S/C25H38O4/c1-17(2)18-10-11-24(3)12-13-25(4)19(23(18)24)16-21(26)29-20(25)8-7-15-28-22-9-5-6-14-27-22/h16-17,20,22H,5-15H2,1-4H3/t20-,22?,24-,25+/m1/s1
SMILES: CC(C)[C@H](C(=O)OC(CCl)CCl)N1C(=O)[C@@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C26H25Cl2NO4/c1-13(2)23(26(32)33-14(11-27)12-28)29-24(30)21-19-15-7-3-4-8-16(15)20(22(21)25(29)31)18-10-6-5-9-17(18)19/h3-10,13-14,19-23H,11-12H2,1-2H3/t19?,20?,21-,22+,23-/m1/s1
SMILES: COC1=C(C(=C(C=C1C(=O)N[C@H]2CCN3CCC[C@@H]2C3)Br)N)Br
InChI: InChI=1S/C16H21Br2N3O2/c1-23-15-10(7-11(17)14(19)13(15)18)16(22)20-12-4-6-21-5-2-3-9(12)8-21/h7,9,12H,2-6,8,19H2,1H3,(H,20,22)/t9-,12+/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@@H]2[C@@H](C(=NC3=C2C(=O)CC(C3)(C)C)C)C(=O)OCC
InChI: InChI=1S/C23H29NO3/c1-6-15-8-10-16(11-9-15)20-19(22(26)27-7-2)14(3)24-17-12-23(4,5)13-18(25)21(17)20/h8-11,19-20H,6-7,12-13H2,1-5H3/t19-,20-/m1/s1
SMILES: C1CCC(CC1)N2[C@@H]([C@H](N(C2=O)C3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H34N2O/c30-27-28(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)29(27)24-19-11-4-12-20-24/h1-2,5-8,13-16,23-26H,3-4,9-12,17-20H2/t25-,26-/m1/s1
SMILES: CC1=C(C(=NN1C)C)/C=N\N=C/2\CC[C@@H]3[C@]2(CC[C@@H]4[C@@H]3CCC5=C4C=CC(=C5)O)C
InChI: InChI=1S/C25H32N4O/c1-15-22(16(2)29(4)28-15)14-26-27-24-10-9-23-21-7-5-17-13-18(30)6-8-19(17)20(21)11-12-25(23,24)3/h6,8,13-14,20-21,23,30H,5,7,9-12H2,1-4H3/b26-14-,27-24-/t20-,21-,23-,25+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C(=O)OC)Br)O
InChI: InChI=1S/C24H20Br2Cl2N2O8/c1-37-14-6-9(5-13(26)17(14)31)16-10-3-4-11-15(19(33)30(18(11)32)22(36)38-2)12(10)7-23(27)20(34)29(8-25)21(35)24(16,23)28/h3,5-6,11-12,15-16,31H,4,7-8H2,1-2H3/t11-,12+,15-,16-,23+,24-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=CC=CC=C4O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C40H30N2O7/c43-33-14-8-7-13-28(33)36-27-19-20-29-35(39(47)41(38(29)46)25-15-17-26(18-16-25)42(48)49)31(27)21-32-37(45)30(23-9-3-1-4-10-23)22-34(44)40(32,36)24-11-5-2-6-12-24/h1-19,22,29,31-32,35-36,43H,20-21H2/t29-,31+,32-,35-,36+,40-/m0/s1
SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C(=O)[C@@H]4CCCC[C@H]4O3)C(=O)O2)OC
InChI: InChI=1S/C20H20O6/c1-23-14-8-7-11(9-16(14)24-2)15-10-17-18(20(22)26-15)19(21)12-5-3-4-6-13(12)25-17/h7-10,12-13H,3-6H2,1-2H3/t12-,13-/m1/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)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=C(C=C(C=C6)OC)O)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H33Cl3F3N5O7/c1-50(35-28(43)13-15-32(48-35)41(45,46)47)52-36(54)25-12-11-23-26(33(25)38(52)56)18-27-37(55)51(49-30-14-6-20(42)16-29(30)44)39(57)40(27,19-4-7-21(58-2)8-5-19)34(23)24-10-9-22(59-3)17-31(24)53/h4-11,13-17,25-27,33-34,49,53H,12,18H2,1-3H3/t25-,26+,27-,33-,34+,40+/m0/s1