EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C.C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C
InChI: InChI=1S/C20H23N3O2.C12H21N/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14;1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h4-10,13,18H,11-12H2,1-3H3,(H,21,24);9H,3-8,13H2,1-2H3/t18-,20+;9?,10-,11+,12?/m0./s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CCCC[C@H]2COC(N2C(=O)OC(C)(C)C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H45NO12/c1-16(30)35-15-22-24(38-18(3)32)25(39-19(4)33)23(37-17(2)31)21(40-22)13-11-10-12-20-14-36-28(8,9)29(20)26(34)41-27(5,6)7/h20-25H,10-15H2,1-9H3/t20-,21-,22+,23-,24+,25+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)N[C@](C)(C4=CC=CC=C4)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
InChI: InChI=1S/C28H35F3N2O2/c1-25-15-13-20-18(9-12-22-26(20,2)16-14-23(34)32-22)19(25)10-11-21(25)24(35)33-27(3,28(29,30)31)17-7-5-4-6-8-17/h4-8,14,16,18-22H,9-13,15H2,1-3H3,(H,32,34)(H,33,35)/t18-,19-,20-,21+,22+,25-,26+,27+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCC6=CC=CC=C6F)CCCCO)CCCCO)SCCC7=CC=NC=C7
InChI: InChI=1S/C48H54FN3O8S/c1-2-26-58-48-45(61-27-21-33-19-22-50-23-20-33)30-43(51-59-31-34-13-15-37(16-14-34)52(55)56)40-28-35(9-5-7-24-53)39(11-6-8-25-54)46(47(40)48)41-29-38(17-18-44(41)60-48)57-32-36-10-3-4-12-42(36)49/h2-4,10,12-20,22-23,28-29,35,39,45-47,53-54H,1,5-9,11,21,24-27,30-32H2/t35-,39+,45-,46+,47+,48+/m0/s1
SMILES: CC[NH+]1CCN(CC1)C(=O)[C@@]23CC[C@@]([C@@H]2Br)(C3(C)C)C
InChI: InChI=1S/C16H27BrN2O/c1-5-18-8-10-19(11-9-18)13(20)16-7-6-15(4,12(16)17)14(16,2)3/h12H,5-11H2,1-4H3/p+1/t12-,15-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=NC[C@@H]2C[C@@]2(C(=O)O)NC(=O)OC(C)(C)C)N
InChI: InChI=1S/C18H26N4O6S/c1-11-5-7-13(8-6-11)29(26,27)22-15(19)20-10-12-9-18(12,14(23)24)21-16(25)28-17(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)/t12-,18+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CC[NH+]2CC(=O)NC4=CC=CC5=CC=CC=C54)O)OC
InChI: InChI=1S/C29H34N2O4/c1-34-25-14-13-21(18-26(25)35-2)28-23-11-5-6-15-29(23,33)16-17-31(28)19-27(32)30-24-12-7-9-20-8-3-4-10-22(20)24/h3-4,7-10,12-14,18,23,28,33H,5-6,11,15-17,19H2,1-2H3,(H,30,32)/p+1/t23-,28+,29-/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)OCOC[C@@H]6[C@H](C[C@@H](O6)N7C=C(C(=O)NC7=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C48H60N4O12Si/c1-30-25-51(45(55)49-43(30)53)41-23-37(60-29-59-27-39-38(64-65(8,9)47(3,4)5)24-42(62-39)52-26-31(2)44(54)50-46(52)56)40(63-41)28-61-48(32-13-11-10-12-14-32,33-15-19-35(57-6)20-16-33)34-17-21-36(58-7)22-18-34/h10-22,25-26,37-42H,23-24,27-29H2,1-9H3,(H,49,53,55)(H,50,54,56)/t37-,38-,39+,40+,41+,42+/m0/s1
SMILES: COP(=O)(O)OC1=C2C3=C(CC4[C@]5([C@]3(CCN4CC=C)[C@@H](O2)C(=O)CC5)O)C=C1
InChI: InChI=1S/C20H24NO7P/c1-3-9-21-10-8-19-16-12-4-5-14(28-29(24,25)26-2)17(16)27-18(19)13(22)6-7-20(19,23)15(21)11-12/h3-5,15,18,23H,1,6-11H2,2H3,(H,24,25)/t15?,18-,19-,20+/m0/s1
SMILES: C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C21H30O2.C10H13N5O4/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3;3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t15-,19+,20+,21+;6-,7+,8+/m00/s1
SMILES: C[C@@H]([C@H]1C[C@@H]2CC[C@@H]1C2)NC(=O)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C20H23NO/c1-13(19-12-14-9-10-16(19)11-14)21-20(22)18-8-4-6-15-5-2-3-7-17(15)18/h2-8,13-14,16,19H,9-12H2,1H3,(H,21,22)/t13-,14+,16+,19+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3
InChI: InChI=1S/C23H23NO4/c1-2-27-23(26)19-12-18(19)15-24(14-16-8-4-3-5-9-16)22(25)21-13-17-10-6-7-11-20(17)28-21/h3-11,13,18-19H,2,12,14-15H2,1H3/t18-,19-/m1/s1
SMILES: CC(C)(C)OC(=O)N(C)[C@H]1C[C@]23CCC(=O)[C@H](C2)[C@H]([C@@H](N3C1=O)CC4=CC=C(C=C4)OC)O
InChI: InChI=1S/C25H34N2O6/c1-24(2,3)33-23(31)26(4)19-14-25-11-10-20(28)17(13-25)21(29)18(27(25)22(19)30)12-15-6-8-16(32-5)9-7-15/h6-9,17-19,21,29H,10-14H2,1-5H3/t17-,18-,19-,21+,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCC#C
InChI: InChI=1S/C16H21N3O5/c1-3-8-17-12(20)10-24-13(21)9-19-14(22)16(18-15(19)23)7-5-4-6-11(16)2/h1,11H,4-10H2,2H3,(H,17,20)(H,18,23)/t11-,16+/m1/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)C[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C
InChI: InChI=1S/C20H24N2O/c1-3-14-13-22-9-7-15(14)10-17(22)11-16-6-8-21-20-5-4-18(23-2)12-19(16)20/h3-6,8,12,14-15,17H,1,7,9-11,13H2,2H3/t14-,15-,17-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)O
InChI: InChI=1S/C16H22N2O5S2/c19-15(12-4-1-2-5-13(12)16(20)21)17-7-9-18(10-8-17)25(22,23)14-6-3-11-24-14/h3,6,11-13H,1-2,4-5,7-10H2,(H,20,21)/t12-,13-/m0/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)C4=CC=CC(=C4)CNC(=O)C5=CC=CC=C5)CN(C)[C@@H](C)[C@@H](C6=CC=CC=C6)O
InChI: InChI=1S/C43H46N2O5/c1-29-39(27-45(3)30(2)40(47)34-12-6-4-7-13-34)49-43(50-41(29)35-19-17-31(28-46)18-20-35)37-23-21-33(22-24-37)38-16-10-11-32(25-38)26-44-42(48)36-14-8-5-9-15-36/h4-25,29-30,39-41,43,46-47H,26-28H2,1-3H3,(H,44,48)/t29-,30+,39+,40+,41+,43+/m1/s1
SMILES: C1CCC(CC1)[C@H](C#C[C@H]2[C@@H](C[C@H](C2CCCCSCC(=O)O)Cl)O)O
InChI: InChI=1S/C20H31ClO4S/c21-17-12-19(23)16(9-10-18(22)14-6-2-1-3-7-14)15(17)8-4-5-11-26-13-20(24)25/h14-19,22-23H,1-8,11-13H2,(H,24,25)/t15?,16-,17-,18+,19-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4C(C3[C@@H]([C@@](C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCC(=O)NCCCN(C)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.Cl
InChI: InChI=1S/C57H69N3O16.ClH/c1-33-39(73-53(69)47(74-43(65)27-18-26-42(64)58-28-19-29-60(7)8)45(36-20-12-9-13-21-36)59-51(67)37-22-14-10-15-23-37)31-57(70)50(75-52(68)38-24-16-11-17-25-38)48-55(6,40(63)30-41-56(48,32-71-41)76-35(3)62)49(66)46(72-34(2)61)44(33)54(57,4)5;/h9-17,20-25,39-41,45-48,50,63,70H,18-19,26-32H2,1-8H3,(H,58,64)(H,59,67);1H/t39?,40-,41?,45?,46+,47?,48?,50-,55+,56?,57+;/m0./s1
SMILES: CC1=NO[C@]2([C@@H]1[C@@H](N3C(=NC=N3)N2)C4=CC=CC=C4)C
InChI: InChI=1S/C14H15N5O/c1-9-11-12(10-6-4-3-5-7-10)19-13(15-8-16-19)17-14(11,2)20-18-9/h3-8,11-12H,1-2H3,(H,15,16,17)/t11-,12-,14-/m0/s1
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC=C(C=C8)O)O)O)C9=CC=C(C=C9)O)O)O)O)C1=CC=C(C=C1)O)O
InChI: InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=C(C=C6)F)Cl)C)C(=O)N(C4=O)C7=CC=C(C=C7)C=C
InChI: InChI=1S/C37H32ClFN2O5/c1-5-20-6-8-22(9-7-20)40-33(43)25-12-11-24-26(30(25)35(40)45)17-27-34(44)41(23-10-13-29(39)28(38)16-23)36(46)37(27,4)31(24)21-14-18(2)32(42)19(3)15-21/h5-11,13-16,25-27,30-31,42H,1,12,17H2,2-4H3/t25-,26+,27-,30-,31-,37+/m0/s1
SMILES: CN(CC#CC1=CC2=C(C=C1)N(C(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC=C)C(=O)OCCOC)CC8=CC=CC=C8
InChI: InChI=1S/C51H48N4O8/c1-4-28-52-47(57)42-44-48(58)63-45(37-20-12-7-13-21-37)43(36-18-10-6-11-19-36)55(44)46(38-23-25-39(56)26-24-38)51(42)40-32-34(17-14-29-53(2)33-35-15-8-5-9-16-35)22-27-41(40)54(49(51)59)50(60)62-31-30-61-3/h4-13,15-16,18-27,32,42-46,56H,1,28-31,33H2,2-3H3,(H,52,57)/t42-,43-,44-,45+,46+,51-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)OCCC=C
InChI: InChI=1S/C39H56N2O8/c1-6-10-24-47-38(44)41(19-7-2)35-27-33(40-45-5)31-25-28(15-11-13-20-42)30(16-12-14-21-43)36-32-26-29(46-22-8-3)17-18-34(32)49-39(35,37(31)36)48-23-9-4/h6,8-9,17-18,25-26,28,30,35-37,42-43H,1,3-4,7,10-16,19-24,27H2,2,5H3/t28-,30+,35-,36+,37+,39+/m0/s1
SMILES: CC(=O)OC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1OC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C26H38O6/c1-15(27)30-14-18-12-23-21-7-6-19-13-20(31-16(2)28)8-10-25(19,4)22(21)9-11-26(23,5)24(18)32-17(3)29/h6,18,20-24H,7-14H2,1-5H3/t18-,20-,21+,22-,23-,24-,25-,26-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@H]([C@@H](C(=O)C[C@@H]2C[C@@H]([C@H]([C@@H](O2)CC(=O)O[C@@H](C1(C)C)C=O)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](CC)(CC)CC)C
InChI: InChI=1S/C41H80O8Si3/c1-17-50(18-2,19-3)48-37-23-31(13)40(49-51(20-4,21-5)22-6)34(43)24-33-25-36(47-52(28(7)8,29(9)10)30(11)12)32(14)35(45-33)26-39(44)46-38(27-42)41(37,15)16/h27-33,35-38,40H,17-26H2,1-16H3/t31-,32+,33-,35+,36+,37-,38-,40+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)NC(=O)C4=NC5=CC=CC=C5C=C4)N)O
InChI: InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)31(19-24-11-5-4-6-12-24)41-35(47)28(39)21-34(46)42-36(48)30-18-17-25-13-9-10-16-29(25)40-30/h4-6,9-13,16-18,26-28,31-33,45H,7-8,14-15,19-23,39H2,1-3H3,(H,41,47)(H,43,49)(H,42,46,48)/t26-,27-,28+,31+,32+,33-/m1/s1
SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2F)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)NC(=O)CCN)N)N)N
InChI: InChI=1S/C21H42FN7O7/c22-14-18(35-20-9(25)2-1-8(6-24)33-20)10(26)5-11(27)19(14)36-21-16(29-13(31)3-4-23)15(28)17(32)12(7-30)34-21/h8-12,14-21,30,32H,1-7,23-28H2,(H,29,31)/t8-,9+,10-,11+,12+,14+,15+,16+,17+,18+,19-,20+,21+/m0/s1
SMILES: C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]([C@@H](N2[C@@H]([C@]13C4=C(C=CC(=C4)C#CCNC(=O)N)NC3=O)C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C40H35N5O6/c1-2-21-42-36(47)31-33-37(48)51-34(26-13-7-4-8-14-26)32(25-11-5-3-6-12-25)45(33)35(27-16-18-28(46)19-17-27)40(31)29-23-24(10-9-22-43-39(41)50)15-20-30(29)44-38(40)49/h2-8,11-20,23,31-35,46H,1,21-22H2,(H,42,47)(H,44,49)(H3,41,43,50)/t31-,32-,33-,34+,35+,40-/m0/s1
SMILES: C[C@H]1[C@H](OP2(N1C)(OC(=C(O2)C)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H24NO3P/c1-15-20(18-11-7-5-8-12-18)24-25(21(15)4,19-13-9-6-10-14-19)22-16(2)17(3)23-25/h5-15,20H,1-4H3/t15-,20-/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](C)[C@H]2C(=O)C=C([C@](O2)(CCCOC[C@@H](CO)OCC3=CC=CC=C3)O)Br)C4=CC=CC=C4
InChI: InChI=1S/C31H36BrNO9/c1-20(29(36)33-21(2)28(41-30(33)37)23-12-7-4-8-13-23)27-25(35)16-26(32)31(38,42-27)14-9-15-39-19-24(17-34)40-18-22-10-5-3-6-11-22/h3-8,10-13,16,20-21,24,27-28,34,38H,9,14-15,17-19H2,1-2H3/t20-,21-,24+,27-,28-,31+/m0/s1
SMILES: C[Si](C)(C)O[C@@]1(C[C@H]2[C@@]1(OC(=O)C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C21H21NO6Si/c1-29(2,3)28-20(14-7-5-4-6-8-14)13-17-18(23)19(24)27-21(17,20)15-9-11-16(12-10-15)22(25)26/h4-12,17H,13H2,1-3H3/t17-,20+,21+/m1/s1
SMILES: C[C@@H]1C=C2[C@@](C3C1[C@]4([C@H](CC5C(C4[C@H]3OC(=O)C)[C@H](C(=O)C6([C@@]5([C@H]([C@@H]7[C@H](C6)O7)OC(=O)CC(C)C)C)O)OC(=O)C)OC(=O)C)C)([C@](C(=O)O2)(C)O)C
InChI: InChI=1S/C39H52O14/c1-15(2)11-24(43)53-33-29-21(51-29)14-39(47)32(44)30(49-18(5)41)25-20(36(33,39)8)13-22(48-17(4)40)35(7)26-16(3)12-23-37(9,38(10,46)34(45)52-23)28(26)31(27(25)35)50-19(6)42/h12,15-16,20-22,25-31,33,46-47H,11,13-14H2,1-10H3/t16-,20?,21+,22+,25?,26?,27?,28?,29+,30-,31-,33+,35-,36+,37+,38-,39?/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]([C@H]1OC)C[C@@]([C@H](C[C@@H]3[C@](C2=O)(C(=O)CC3(C)C)C)O)(C)O
InChI: InChI=1S/C21H34O5/c1-11-7-12-13(17(11)26-6)9-20(4,25)15(22)8-14-19(2,3)10-16(23)21(14,5)18(12)24/h11-15,17,22,25H,7-10H2,1-6H3/t11-,12+,13+,14+,15+,17+,20-,21+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC6=CC=CC=C65)O)C(=O)N(C4=O)C7=CC=C(C=C7)C=C
InChI: InChI=1S/C35H27NO5/c1-3-19-8-11-21(12-9-19)36-34(40)24-14-13-23-25(29(24)35(36)41)17-26-31(28(38)16-18(2)33(26)39)32(23)30-22-7-5-4-6-20(22)10-15-27(30)37/h3-13,15-16,24-25,29,32,37H,1,14,17H2,2H3/t24-,25+,29-,32+/m0/s1
SMILES: CC(=O)OC[C@]12[C@@H]3[C@@H](C[C@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)[C@H]([C@H]1O2)OC(=O)C6=CC=C(C=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C39H38O8/c1-26(40)45-25-39-34-32(21-33(43-23-28-13-7-3-8-14-28)36(34)44-24-29-15-9-4-10-16-29)35(37(39)47-39)46-38(41)30-17-19-31(20-18-30)42-22-27-11-5-2-6-12-27/h2-20,32-37H,21-25H2,1H3/t32-,33-,34-,35-,36-,37-,39+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN2C(=O)[C@@]3(CCCC4=C3C=CS4)NC2=O
InChI: InChI=1S/C20H26N4O4S/c1-12-5-2-3-6-14(12)21-18(27)22-16(25)11-24-17(26)20(23-19(24)28)9-4-7-15-13(20)8-10-29-15/h8,10,12,14H,2-7,9,11H2,1H3,(H,23,28)(H2,21,22,25,27)/t12-,14-,20+/m1/s1
SMILES: CCCCC[C@@H](CCCC=C)O[C@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)C)OC(O2)(C)C)O[C@H]3[C@@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H54O12/c1-8-10-13-19-26(20-14-11-9-2)44-35-33(31-28(22(3)41-35)48-37(6,7)49-31)47-36-32(43-24(5)39)30(42-23(4)38)29-27(45-36)21-40-34(46-29)25-17-15-12-16-18-25/h8,12,15-18,22,26-36H,1,9-11,13-14,19-21H2,2-7H3/t22-,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+/m1/s1
SMILES: CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H21N5O/c1-3-26-9-8-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)14-4-6-15(27-2)7-5-14/h4-8,18-19H,3,9,11,25H2,1-2H3/t18-,19+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@@H](C)C2=CC=CC=C2
InChI: InChI=1S/C17H24N2O2/c1-12-8-6-7-11-15(12)19-17(21)16(20)18-13(2)14-9-4-3-5-10-14/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,18,20)(H,19,21)/t12-,13-,15-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](N(C(=O)N([C@@H]2N(C(=O)N1C)C)C)C)C3=CC=CC=C3
InChI: InChI=1S/C17H24N4O2/c1-11-13-14(12-9-7-6-8-10-12)19(3)17(23)21(5)15(13)20(4)16(22)18(11)2/h6-11,13-15H,1-5H3/t11-,13-,14+,15+/m1/s1
SMILES: CC[NH+](CC)CC.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])[Se-])N=[N+]=[N-]
InChI: InChI=1S/C20H25N10O9PSe.C6H15N/c1-9-5-29(19(33)23-17(9)31)15-3-11(25-27-21)13(38-15)7-36-40(35,41)37-8-14-12(26-28-22)4-16(39-14)30-6-10(2)18(32)24-20(30)34;1-4-7(5-2)6-3/h5-6,11-16H,3-4,7-8H2,1-2H3,(H,35,41)(H,23,31,33)(H,24,32,34);4-6H2,1-3H3/t11-,12-,13+,14+,15+,16+;/m0./s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H](C(O2)O)OC(O3)(C)C)C
InChI: InChI=1S/C12H20O6/c1-11(2)14-5-6-7(16-11)8-9(10(13)15-6)18-12(3,4)17-8/h6-10,13H,5H2,1-4H3/t6-,7-,8+,9+,10?/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C2C(=O)N/N=C\C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C19H20N2O/c22-19(18-16-7-3-4-8-17(16)18)21-20-12-13-9-10-14-5-1-2-6-15(14)11-13/h1-2,5-6,9-12,16-18H,3-4,7-8H2,(H,21,22)/b20-12-/t16-,17-/m0/s1
SMILES: C[C@H]1CC(C[C@@H]1CO)(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C
InChI: InChI=1S/C19H34O5/c1-13-8-19(9-14(13)10-20,11-23-15(21)17(2,3)4)12-24-16(22)18(5,6)7/h13-14,20H,8-12H2,1-7H3/t13-,14+/m0/s1
SMILES: C/C(=C\C1=CC=CC=C1)/[C@@H]2[C@H](C(=O)N2CC3=CC=CC=C3)C=C
InChI: InChI=1S/C21H21NO/c1-3-19-20(16(2)14-17-10-6-4-7-11-17)22(21(19)23)15-18-12-8-5-9-13-18/h3-14,19-20H,1,15H2,2H3/b16-14+/t19-,20-/m1/s1
SMILES: CC(=O)C12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6C(=O)OC
InChI: InChI=1S/C28H21NO5/c1-15(30)28-19-12-6-3-9-16(19)22(17-10-4-7-13-20(17)28)23-24(28)26(32)29(25(23)31)21-14-8-5-11-18(21)27(33)34-2/h3-14,22-24H,1-2H3/t22?,23-,24-,28?/m1/s1
SMILES: CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C(C=CC(=C34)OC)[C@@]56CCN7[C@]5(C(C[C@@H]([C@@H](C7)CC)/C(=C\OC)/C(=O)OC)O)NC8=C6C(=CC=C8)OC
InChI: InChI=1S/C46H60N4O9/c1-9-26-22-49-18-16-28-39-36(56-5)15-14-33(42(39)47-41(28)35(49)20-29(26)31(24-54-3)43(52)58-7)45-17-19-50-23-27(10-2)30(32(25-55-4)44(53)59-8)21-38(51)46(45,50)48-34-12-11-13-37(57-6)40(34)45/h11-15,24-27,29-30,35,38,47-48,51H,9-10,16-23H2,1-8H3/b31-24+,32-25+/t26-,27-,29+,30+,35+,38?,45-,46+/m1/s1
SMILES: C=CC(O)P1(=O)N([C@@H]2CCCC[C@H]2N1CC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C23H29N2O2P/c1-2-23(26)28(27)24(17-19-11-5-3-6-12-19)21-15-9-10-16-22(21)25(28)18-20-13-7-4-8-14-20/h2-8,11-14,21-23,26H,1,9-10,15-18H2/t21-,22-,23?/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
InChI: InChI=1S/C20H29NO4/c1-12-7-6-8-17(13(12)2)21-20(23)15(4)25-18-10-9-16(14(3)22)11-19(18)24-5/h9-13,15,17H,6-8H2,1-5H3,(H,21,23)/t12-,13-,15-,17+/m1/s1
SMILES: C1[C@@H]([C@@H](C(=O)N1)C(=O)N/N=C/C=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
InChI: InChI=1S/C21H19N3O4/c25-20-19(16(12-22-20)15-6-2-1-3-7-15)21(26)24-23-10-4-5-14-8-9-17-18(11-14)28-13-27-17/h1-11,16,19H,12-13H2,(H,22,25)(H,24,26)/b5-4+,23-10+/t16-,19+/m1/s1
SMILES: C1[C@@H]2[C@H](O[C@H]1N3C=C(C(=O)N=C3O2)CC#N)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H25N3O4/c31-17-16-21-19-33-27-18-25(37-29(33)32-28(21)34)26(36-27)20-35-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,19,25-27H,16,18,20H2/t25-,26-,27-/m1/s1
SMILES: C/C(=C\CC/C(=C/I)/C)/CC[C@]1(CC[C@H]([C@H](C1)C=O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C24H43IO2Si/c1-19(10-9-11-20(2)17-25)12-14-24(6)15-13-22(21(16-24)18-26)27-28(7,8)23(3,4)5/h10,17-18,21-22H,9,11-16H2,1-8H3/b19-10+,20-17+/t21-,22-,24+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H17Cl7N2O10/c1-5(32)37-4-8-16(38-6(2)33)17(39-7(3)34)15(20(40-8)41-21(30)22(27,28)29)31-18(35)9-10(19(31)36)12(24)14(26)13(25)11(9)23/h8,15-17,20,30H,4H2,1-3H3/t8-,15-,16-,17-,20+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[Si](C)(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C(C)C
InChI: InChI=1S/C27H34OSi/c1-20(2)24-18-17-21(3)19-26(24)28-29(4,23-13-6-5-7-14-23)27-16-10-12-22-11-8-9-15-25(22)27/h5-16,20-21,24,26H,17-19H2,1-4H3/t21-,24+,26-,29?/m1/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)C[NH+]4CCCCCC4)(C)C(=O)OC
InChI: InChI=1S/C28H43NO3/c1-21-10-13-25-27(2,15-9-16-28(25,3)26(30)31-4)23(21)12-11-22-14-19-32-24(22)20-29-17-7-5-6-8-18-29/h14,19,23,25H,1,5-13,15-18,20H2,2-4H3/p+1/t23-,25+,27+,28-/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]3[C@@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC
InChI: InChI=1S/C21H19N3O5/c1-12-8-10-13(11-9-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-6-4-5-7-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18+/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)NCC5=CC=CC=C5)CN6CCN(CC6)CC7=CC=CC=C7
InChI: InChI=1S/C45H50N4O4/c1-33-42(31-49-24-22-48(23-25-49)30-35-12-6-3-7-13-35)52-44(53-43(33)38-20-18-36(32-50)19-21-38)41-17-9-16-40(27-41)39-15-8-14-37(26-39)29-47-45(51)46-28-34-10-4-2-5-11-34/h2-21,26-27,33,42-44,50H,22-25,28-32H2,1H3,(H2,46,47,51)/t33-,42+,43+,44+/m1/s1
SMILES: C1[C@@H]([C@H](N=N1)C2=CC=CC=C2)C3=CC(=O)C4=C(O3)C=CC=C4OCC5=CC=CC=C5
InChI: InChI=1S/C25H20N2O3/c28-20-14-23(19-15-26-27-25(19)18-10-5-2-6-11-18)30-22-13-7-12-21(24(20)22)29-16-17-8-3-1-4-9-17/h1-14,19,25H,15-16H2/t19-,25-/m1/s1
SMILES: CCOC(=O)C1=C(NC(=O)[C@@H]([C@@H]1C2=CC=C(C=C2)OC)C#N)C
InChI: InChI=1S/C17H18N2O4/c1-4-23-17(21)14-10(2)19-16(20)13(9-18)15(14)11-5-7-12(22-3)8-6-11/h5-8,13,15H,4H2,1-3H3,(H,19,20)/t13-,15+/m1/s1
SMILES: CN1C(=NN=C1SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)C4=CC=CC=C4OC
InChI: InChI=1S/C21H28N4O2S/c1-24-20(17-9-5-6-10-18(17)27-2)22-23-21(24)28-14-19(26)25-12-11-15-7-3-4-8-16(15)13-25/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/t15-,16-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OP(=O)([O-])OCCC[N+](C)(C)C)C
InChI: InChI=1S/C25H42NO5P/c1-24-13-11-19(31-32(28,29)30-16-6-15-26(3,4)5)17-18(24)7-8-20-21-9-10-23(27)25(21,2)14-12-22(20)24/h7,19-22H,6,8-17H2,1-5H3/t19-,20-,21-,22-,24-,25-/m0/s1
SMILES: C1=CC=C(C=C1)C(C[C@H]2[C@@H](C(=O)O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C37H32O3/c38-36-34(35(40-36)26-33(28-16-6-1-7-17-28)29-18-8-2-9-19-29)27-39-37(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25,33-35H,26-27H2/t34-,35-/m0/s1
SMILES: C[C@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC(C)C)C3=C(C=C(C=C3)OC)OC)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C25H31NO7/c1-12(2)33-25(29)20-14(4)26-17-10-13(3)19(24(28)32-7)23(27)22(17)21(20)16-9-8-15(30-5)11-18(16)31-6/h8-9,11-13,19,21,26H,10H2,1-7H3/t13-,19-,21+/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H]([C@]2([C@@H]3[NH+]1C=CC4=CC=CC=C34)C5=CC=CC=C5NC2=O)C(=O)C6=CC=CC=N6
InChI: InChI=1S/C30H27N3O3/c1-29(2,3)27(35)24-23(25(34)22-14-8-9-16-31-22)30(20-12-6-7-13-21(20)32-28(30)36)26-19-11-5-4-10-18(19)15-17-33(24)26/h4-17,23-24,26H,1-3H3,(H,32,36)/p+1/t23-,24-,26-,30+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC=C4OCC(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C23H20FNO4/c24-16-9-7-13(8-10-16)18(26)12-29-19-4-2-1-3-17(19)25-22(27)20-14-5-6-15(11-14)21(20)23(25)28/h1-4,7-10,14-15,20-21H,5-6,11-12H2/t14-,15+,20+,21-
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC3=NN=C(O3)C4=CC=CC=C4
InChI: InChI=1S/C18H20N2O3/c21-17(10-15-9-12-6-7-14(15)8-12)22-11-16-19-20-18(23-16)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2/t12-,14+,15-/m0/s1
SMILES: C[C@H]([C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)[C@H]5[C@H](O5)[C@H]6C(O6)(C)C
InChI: InChI=1S/C30H46O3/c1-17(23-24(32-23)25-27(4,5)33-25)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25H,10-16H2,1-8H3/t17-,18+,19+,21+,23+,24+,25+,28-,29+,30-/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN(C)CC=C
InChI: InChI=1S/C35H43N3O6/c1-5-19-38(3)22-31-24(2)32(28-15-13-27(23-39)14-16-28)44-34(43-31)29-17-11-26(12-18-29)21-36-35(41)37-30(33(40)42-4)20-25-9-7-6-8-10-25/h5-18,24,30-32,34,39H,1,19-23H2,2-4H3,(H2,36,37,41)/t24-,30+,31+,32+,34+/m1/s1
SMILES: CC1(OC[C@]23[C@H](O1)[C@H]([C@](O2)([C@]([C@]3(COCC4=CC=CC=C4)OCC5=CC=CC=C5)(COCC6=CC=CC=C6)O)COS(=O)(=O)C)OCC7=CC=CC=C7)C
InChI: InChI=1S/C42H48O11S/c1-38(2)50-28-40-37(52-38)36(48-26-34-20-12-6-13-21-34)39(53-40,29-51-54(3,44)45)41(43,30-46-24-32-16-8-4-9-17-32)42(40,49-27-35-22-14-7-15-23-35)31-47-25-33-18-10-5-11-19-33/h4-23,36-37,43H,24-31H2,1-3H3/t36-,37-,39+,40-,41+,42-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)Cl
InChI: InChI=1S/C36H30Cl2N2O8/c1-39-33(45)35(37)17-24-22(28(36(35,38)34(39)46)20-15-25(47-2)30(42)26(16-20)48-3)13-14-23-27(24)32(44)40(31(23)43)21-11-9-19(10-12-21)29(41)18-7-5-4-6-8-18/h4-13,15-16,23-24,27-28,42H,14,17H2,1-3H3/t23-,24+,27-,28-,35+,36-/m0/s1
SMILES: CCCOC1=CC2=C(C=C1)[C@@H]([C@@H]([C@@H]2C3=C(C=C(C=C3)OC)OCC(=O)OCC)C(=O)OC)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C32H34O9/c1-5-13-38-21-9-10-22-24(15-21)30(23-11-8-20(35-3)16-26(23)39-17-28(33)37-6-2)31(32(34)36-4)29(22)19-7-12-25-27(14-19)41-18-40-25/h7-12,14-16,29-31H,5-6,13,17-18H2,1-4H3/t29-,30+,31-/m0/s1
SMILES: C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O
InChI: InChI=1S/C16H17NO6/c18-15(13-10-3-4-11(23-10)14(13)16(19)20)17-6-8-1-2-9-12(5-8)22-7-21-9/h1-2,5,10-11,13-14H,3-4,6-7H2,(H,17,18)(H,19,20)/t10-,11+,13-,14+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C30H24N2O8/c1-14-10-24(34)27-22(28(14)35)13-21-18(25(27)19-7-6-17(40-2)12-23(19)33)8-9-20-26(21)30(37)31(29(20)36)15-4-3-5-16(11-15)32(38)39/h3-8,10-12,20-21,25-26,33H,9,13H2,1-2H3/t20-,21+,25+,26-/m0/s1
SMILES: CC1=C2[C@H]3[C@H](C3(C)C)CC2=C(S1)C(=O)CCC4=CC(=C(C(=C4)F)OC[C@@H](CO)O)OC
InChI: InChI=1S/C24H29FO5S/c1-12-20-15(9-16-21(20)24(16,2)3)23(31-12)18(28)6-5-13-7-17(25)22(19(8-13)29-4)30-11-14(27)10-26/h7-8,14,16,21,26-27H,5-6,9-11H2,1-4H3/t14-,16-,21-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(C)(C)C)CO)O)O
InChI: InChI=1S/C12H23NO6/c1-6(15)13-8-10(17)9(16)7(5-14)18-11(8)19-12(2,3)4/h7-11,14,16-17H,5H2,1-4H3,(H,13,15)/t7-,8-,9-,10-,11+/m1/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)OC)OC)O
InChI: InChI=1S/C13H23NO9/c1-6(16)14-9-7(17)4-13(22-3,12(20)21-2)23-11(9)10(19)8(18)5-15/h7-11,15,17-19H,4-5H2,1-3H3,(H,14,16)/t7-,8+,9+,10-,11+,13-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)CC(=O)OCC=C)SC(=S)OC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H33NO5S2Si/c1-8-14-27-18(25)15-24-20(26)19(16(2)29-32(6,7)23(3,4)5)21(24)31-22(30)28-17-12-10-9-11-13-17/h8-13,16,19,21H,1,14-15H2,2-7H3/t16-,19+,21-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)SC4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H21ClN2S/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)23-15-6-4-14(20)5-7-15/h3-8,11,17,19H,9-10,12H2,1-2H3/p+1/t17-,19+/m1/s1
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC[C@@H]3[C@@H]2CCCC3)C(=O)OC
InChI: InChI=1S/C20H28N2O5S/c1-12-16(19(24)26-2)18(28-17(12)20(25)27-3)21-15(23)11-22-10-6-8-13-7-4-5-9-14(13)22/h13-14H,4-11H2,1-3H3,(H,21,23)/t13-,14+/m1/s1