EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)[C@]1([C@@H](C2=C(CCCC2)[C@@H](C1=N)C#N)C3=CC=CC=C3)C#N
InChI: InChI=1S/C21H21N3O2/c1-2-26-20(25)21(13-23)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-22)19(21)24/h3-5,8-9,17-18,24H,2,6-7,10-11H2,1H3/t17-,18+,21-/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@@H](C3CCCCC3)C(=O)C4=CC=CC=C4)C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C
InChI: InChI=1S/C39H53N5O6/c1-8-10-21-27(32(46)35(48)40-22-9-2)41-34(47)30-28-26(39(28,6)7)23-44(30)36(49)33(38(3,4)5)43-37(50)42-29(24-17-13-11-14-18-24)31(45)25-19-15-12-16-20-25/h1,9,12,15-16,19-20,24,26-30,33H,2,10-11,13-14,17-18,21-23H2,3-7H3,(H,40,48)(H,41,47)(H2,42,43,50)/t26-,27?,28-,29-,30-,33+/m0/s1
SMILES: C1C2C([C@H]([C@@H](O2)N3C=C(C(=NC3=O)N)Br)O)OP(=O)(O1)[O-]
InChI: InChI=1S/C9H11BrN3O7P/c10-3-1-13(9(15)12-7(3)11)8-5(14)6-4(19-8)2-18-21(16,17)20-6/h1,4-6,8,14H,2H2,(H,16,17)(H2,11,12,15)/p-1/t4?,5-,6?,8-/m1/s1
SMILES: C=CC[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C4=CC(=C(C=C4)F)Cl)C(=O)[O-]
InChI: InChI=1S/C18H15ClFNO4/c1-2-3-13-18-7-6-12(25-18)14(17(23)24)15(18)16(22)21(13)9-4-5-11(20)10(19)8-9/h2,4-8,12-15H,1,3H2,(H,23,24)/p-1/t12-,13+,14+,15-,18-/m1/s1
SMILES: CC1=C(N=CC=C1)NCN2C(=O)[C@@H]3[C@H]4CC[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C15H17N3O3/c1-8-3-2-6-16-13(8)17-7-18-14(19)11-9-4-5-10(21-9)12(11)15(18)20/h2-3,6,9-12H,4-5,7H2,1H3,(H,16,17)/t9-,10+,11-,12+
SMILES: C[C@@H]1C[C@]([C@@H](C=C1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/C=C/CCCC[C@@H]4C=C([C@H]5[C@H]([C@]4(C)C(=O)OCC=C)CCC[C@@H]5OCOC)[Si](C)(C)C)(C(=O)OC)OC(=O)COCC=C
InChI: InChI=1S/C57H82O10Si2/c1-13-34-63-40-51(58)67-57(54(60)62-9)38-42(3)43(39-66-69(55(4,5)6,46-28-21-17-22-29-46)47-30-23-18-24-31-47)36-45(57)27-20-16-15-19-26-44-37-50(68(10,11)12)52-48(32-25-33-49(52)65-41-61-8)56(44,7)53(59)64-35-14-2/h13-14,17-18,20-24,27-31,36-37,42,44-45,48-49,52H,1-2,15-16,19,25-26,32-35,38-41H2,3-12H3/b27-20+/t42-,44-,45-,48-,49+,52+,56-,57+/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)N/N=C/2\C[C@H]([C@H]([C@H]3[C@@H]2CC[C@@H]4[C@H]3C(=O)N(C4=O)C5CCCCC5)O)O
InChI: InChI=1S/C27H35N3O7/c1-36-17-9-7-15(8-10-17)14-37-27(35)29-28-20-13-21(31)24(32)22-18(20)11-12-19-23(22)26(34)30(25(19)33)16-5-3-2-4-6-16/h7-10,16,18-19,21-24,31-32H,2-6,11-14H2,1H3,(H,29,35)/b28-20+/t18-,19-,21-,22+,23-,24-/m1/s1
SMILES: C[C@H]1[C@H]2[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C(=O)N2[C@@H](CC1=O)C5=CC=CO5)C(=O)O
InChI: InChI=1S/C18H17NO6/c1-8-10(20)7-9(11-3-2-6-24-11)19-15(8)18-5-4-12(25-18)13(17(22)23)14(18)16(19)21/h2-6,8-9,12-15H,7H2,1H3,(H,22,23)/t8-,9+,12-,13+,14-,15+,18+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)COC(=O)C(C)(C)C)CC/C=C/C2=C(C(=CC(=C2)OCOC)OCOC)Br)C
InChI: InChI=1S/C25H37BrO8/c1-24(2,3)23(27)30-14-21-19(33-25(4,5)34-21)11-9-8-10-17-12-18(31-15-28-6)13-20(22(17)26)32-16-29-7/h8,10,12-13,19,21H,9,11,14-16H2,1-7H3/b10-8+/t19-,21+/m0/s1
SMILES: COC1=CC=CC(=C1O)[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=C(C=C7)NC8=CC=CC=C8
InChI: InChI=1S/C39H26Cl2F5N3O6/c1-55-24-9-5-8-22(33(24)50)26-20-14-15-21-25(35(52)48(34(21)51)19-12-10-18(11-13-19)47-17-6-3-2-4-7-17)23(20)16-38(40)36(53)49(37(54)39(26,38)41)32-30(45)28(43)27(42)29(44)31(32)46/h2-14,21,23,25-26,47,50H,15-16H2,1H3/t21-,23+,25-,26+,38+,39-/m0/s1
SMILES: CCCC[C@H](C)C[14C@@H](/C=C/[C@@H]1[C@H]2C[C@@H](C[C@H]2C[C@H]1O)CCOCC(=O)OC)O
InChI: InChI=1S/C23H40O5/c1-4-5-6-16(2)11-19(24)7-8-20-21-13-17(12-18(21)14-22(20)25)9-10-28-15-23(26)27-3/h7-8,16-22,24-25H,4-6,9-15H2,1-3H3/b8-7+/t16-,17+,18-,19+,20+,21-,22+/m0/s1/i19+2
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3([C@H](C[C@@H](C4)O)O)C)O)O)C
InChI: InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](CC4C(C3C([C@@](C2(C)C)(C[C@@H]1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CN(C)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.CS(=O)(=O)O
InChI: InChI=1S/C51H58N2O15.CH4O3S/c1-28-34(65-47(61)41(66-37(57)26-53(7)8)39(31-18-12-9-13-19-31)52-45(59)32-20-14-10-15-21-32)25-51(62)44(67-46(60)33-22-16-11-17-23-33)42-49(6,35(56)24-36-50(42,27-63-36)68-30(3)55)43(58)40(64-29(2)54)38(28)48(51,4)5;1-5(2,3)4/h9-23,34-36,39-42,44,56,62H,24-27H2,1-8H3,(H,52,59);1H3,(H,2,3,4)/t34-,35-,36?,39?,40+,41?,42?,44?,49+,50?,51+;/m0./s1
SMILES: C[C@H](/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)[C@H](/C(=C/C(=O)OCCCCCCCC(=O)NC2CCCNC2=O)/C)O)[C@H](C)O
InChI: InChI=1S/C30H50N2O9/c1-19(21(3)33)11-9-12-22-18-41-29(28(38)27(22)37)26(36)20(2)17-25(35)40-16-8-6-4-5-7-14-24(34)32-23-13-10-15-31-30(23)39/h9,11,17,19,21-23,26-29,33,36-38H,4-8,10,12-16,18H2,1-3H3,(H,31,39)(H,32,34)/b11-9+,20-17+/t19-,21+,22+,23?,26+,27-,28-,29+/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H18Cl2N2O5/c1-33-25(32)15-9-7-14(8-10-15)21-20-22(34-29(21)16-5-3-2-4-6-16)24(31)28(23(20)30)17-11-12-18(26)19(27)13-17/h2-13,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[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)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)CCN7CCN(CC7)C
InChI: InChI=1S/C50H67N3O13/c1-29-34(63-44(59)39(56)38(31-16-12-10-13-17-31)51-45(60)66-46(3,4)5)27-50(61)42(64-43(58)32-18-14-11-15-19-32)40-48(8,35(55)26-36-49(40,28-62-36)65-30(2)54)41(57)33(37(29)47(50,6)7)20-21-53-24-22-52(9)23-25-53/h10-19,33-36,38-40,42,55-56,61H,20-28H2,1-9H3,(H,51,60)/t33-,34+,35+,36-,38+,39-,40+,42+,48-,49+,50-/m1/s1
SMILES: C[C@@H]1CCC(O[C@]1(C(=O)C(=O)N2CCCCC2C(=O)OC(C)C3=CC=CC=C3)O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)COC)/C)OC
InChI: InChI=1S/C40H57NO9/c1-27(24-29(3)35(42)26-47-6)16-10-8-11-17-28(2)36(48-7)25-33-22-21-30(4)40(46,50-33)37(43)38(44)41-23-15-14-20-34(41)39(45)49-31(5)32-18-12-9-13-19-32/h8-13,16-19,27,29-31,33-34,36,46H,14-15,20-26H2,1-7H3/b11-8+,16-10+,28-17+/t27-,29-,30-,31?,33?,34?,36+,40-/m1/s1
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=C(C=C5)OC(=O)C6=CC=CO6
InChI: InChI=1S/C22H17NO5/c24-20-18-13-7-8-14(16-10-15(13)16)19(18)21(25)23(20)11-3-5-12(6-4-11)28-22(26)17-2-1-9-27-17/h1-9,13-16,18-19H,10H2/t13-,14+,15+,16-,18-,19+
SMILES: C[C@H]1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC(=C(C=C4)C)C
InChI: InChI=1S/C23H23NO3/c1-14-7-10-19(13-16(14)3)27-18-11-8-17(9-12-18)24-22(25)20-6-4-5-15(2)21(20)23(24)26/h4-5,7-13,15,20-21H,6H2,1-3H3/t15-,20-,21-/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)CNC(=O)C4=CN=CC=C4)CSC5=CC=CC=C5OC
InChI: InChI=1S/C33H34N2O5S/c1-22-29(21-41-30-8-4-3-7-28(30)38-2)39-33(40-31(22)25-13-11-24(20-36)12-14-25)26-15-9-23(10-16-26)18-35-32(37)27-6-5-17-34-19-27/h3-17,19,22,29,31,33,36H,18,20-21H2,1-2H3,(H,35,37)/t22-,29+,31+,33+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)[NH2+]C[C@@H]2[C@H]3C[C@@H]4[C@](CCC[C@]45CO5)(C[C@H]3OC2=O)C
InChI: InChI=1S/C23H31NO3/c1-15(16-7-4-3-5-8-16)24-13-18-17-11-20-22(2,12-19(17)27-21(18)25)9-6-10-23(20)14-26-23/h3-5,7-8,15,17-20,24H,6,9-14H2,1-2H3/p+1/t15-,17+,18+,19+,20+,22+,23-/m0/s1
SMILES: C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C[C@@H]3[C@H]4C[C@H]5C(=C)CCC[C@@]5(C[C@H]4OC3=O)C
InChI: InChI=1S/C27H38N2O2/c1-18-7-5-9-21(13-18)29-12-11-28(16-20(29)3)17-23-22-14-24-19(2)8-6-10-27(24,4)15-25(22)31-26(23)30/h5,7,9,13,20,22-25H,2,6,8,10-12,14-17H2,1,3-4H3/t20-,22+,23+,24-,25+,27+/m0/s1
SMILES: C/C/1=C\CC/C(=C/[C@H]2C(=C(CO2)C)CC[C@@]3([C@H](O3)CC1)C)/C
InChI: InChI=1S/C20H30O2/c1-14-6-5-7-15(2)12-18-17(16(3)13-21-18)10-11-20(4)19(22-20)9-8-14/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19+,20+/m0/s1
SMILES: C1[C@@H]([C@@H](C([NH2+]1)(COCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[Cl-]
InChI: InChI=1S/C34H37NO4.ClH/c1-5-13-28(14-6-1)22-36-26-34(27-37-23-29-15-7-2-8-16-29)33(39-25-31-19-11-4-12-20-31)32(21-35-34)38-24-30-17-9-3-10-18-30;/h1-20,32-33,35H,21-27H2;1H/t32-,33-;/m0./s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NCC(=O)OC)O)N=[N+]=[N-]
InChI: InChI=1S/C13H19N6O8P/c1-7-5-19(13(22)16-12(7)21)10-3-8(17-18-14)9(27-10)6-26-28(23,24)15-4-11(20)25-2/h5,8-10H,3-4,6H2,1-2H3,(H2,15,23,24)(H,16,21,22)/t8-,9+,10+/m0/s1
SMILES: CC[NH+](CC)CC.COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=N6)O[P+](=O)[O-]
InChI: InChI=1S/C36H33N4O9P.C6H15N/c1-45-27-15-11-25(12-16-27)36(24-8-4-3-5-9-24,26-13-17-28(46-2)18-14-26)47-23-31-30(49-50(43)44)22-33(48-31)40-21-19-32(39-35(40)42)38-34(41)29-10-6-7-20-37-29;1-4-7(5-2)6-3/h3-21,30-31,33H,22-23H2,1-2H3,(H,38,39,41,42);4-6H2,1-3H3/p+1/t30-,31+,33+;/m0./s1
SMILES: CC[C@@H](C)[C@H](C(=O)N1[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2OC1=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)Cl
InChI: InChI=1S/C34H32ClNO10/c1-3-20(2)25(35)29(37)36-26-28(45-32(40)23-17-11-6-12-18-23)27(44-31(39)22-15-9-5-10-16-22)24(43-33(26)46-34(36)41)19-42-30(38)21-13-7-4-8-14-21/h4-18,20,24-28,33H,3,19H2,1-2H3/t20-,24-,25-,26-,27-,28-,33-/m1/s1
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4C[C@H]([C@@H](C4)N)C5=CC=CC=C5)F)C(=O)O
InChI: InChI=1S/C23H21F2N3O3/c24-17-8-14-20(28(13-6-7-13)10-16(22(14)29)23(30)31)19(25)21(17)27-9-15(18(26)11-27)12-4-2-1-3-5-12/h1-5,8,10,13,15,18H,6-7,9,11,26H2,(H,30,31)/t15-,18+/m0/s1
SMILES: CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24+,25-,26+,28+,29-,30-/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C)N=O
InChI: InChI=1S/C15H14N4O5/c1-3-24-15(22)11-10-12(19(16-11)17-23)14(21)18(13(10)20)9-6-4-5-8(2)7-9/h4-7,10,12H,3H2,1-2H3/t10-,12+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)/C(=C\[N+]#N)/O)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C14H26N2O4Si/c1-13(2,3)21(6,7)18-9-11-12(10(17)8-16-15)20-14(4,5)19-11/h8,11-12H,9H2,1-7H3/p+1/b10-8+/t11-,12-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4C(=O)[C@@]5(CCC6=CC=CC=C6C5)C[C@]2([C@H]1CC7=C3C(=C(C=C7)O)O4)O
InChI: InChI=1S/C26H27NO4/c1-27-11-10-25-20-16-6-7-18(28)21(20)31-23(25)22(29)24(14-26(25,30)19(27)12-16)9-8-15-4-2-3-5-17(15)13-24/h2-7,19,23,28,30H,8-14H2,1H3/t19-,23+,24-,25+,26-/m1/s1
SMILES: CN(C)C(=[N+](C)C)ON1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)C=C3
InChI: InChI=1S/C14H20N3O3/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19/h5-6,8-11H,7H2,1-4H3/q+1/t8-,9+,10+,11-
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H25N3O4/c1-14-7-9-15(10-8-14)22-18(25)13-23(2)19(26)11-12-24-20(27)16-5-3-4-6-17(16)21(24)28/h3-4,7-10,16-17H,5-6,11-13H2,1-2H3,(H,22,25)/t16-,17-/m0/s1
SMILES: CCCCCCC#C[C@@H]1[C@H](C=CC1=O)NC2=CC=C(C=C2)C(=O)O
InChI: InChI=1S/C20H23NO3/c1-2-3-4-5-6-7-8-17-18(13-14-19(17)22)21-16-11-9-15(10-12-16)20(23)24/h9-14,17-18,21H,2-6H2,1H3,(H,23,24)/t17-,18+/m1/s1
SMILES: CCCCC[C@H](/C=C/[C@H]([C@@H]1C[C@H]1[C@H](CC=C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H32O5/c1-5-7-8-10-16(24-14(3)21)11-12-20(25-15(4)22)18-13-17(18)19(23)9-6-2/h6,11-12,16-20,23H,2,5,7-10,13H2,1,3-4H3/b12-11+/t16-,17-,18-,19+,20-/m1/s1
SMILES: CC(=O)OCC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CCC1OC(=O)C)C)CC4=C(O3)C=C(OC4=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C30H36O7/c1-18(31)34-17-29(4)24-11-14-30(5)25(28(24,3)13-12-26(29)35-19(2)32)15-21-23(37-30)16-22(36-27(21)33)20-9-7-6-8-10-20/h6-10,16,24-26H,11-15,17H2,1-5H3/t24-,25-,26?,28+,29?,30-/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC(=C3)C=CC(=O)N(C)C)OC(O2)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C45H53N3O11/c1-28(50)39(42(54)46-34(27-49)21-23-38(52)58-44(2,3)4)47-41(53)31-25-35(56-43(55)30-15-13-14-29(24-30)20-22-37(51)48(5)6)40-36(26-31)57-45(59-40,32-16-9-7-10-17-32)33-18-11-8-12-19-33/h7-20,22,24,26,28,34-36,39-40,49-50H,21,23,25,27H2,1-6H3,(H,46,54)(H,47,53)/t28-,34-,35+,36+,39+,40-/m0/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CCC3C2CC[C@]4(C3CC[C@H]4OC=O)C
InChI: InChI=1S/C20H30O3/c1-19-9-7-14(22)11-13(19)3-4-15-16-5-6-18(23-12-21)20(16,2)10-8-17(15)19/h12-13,15-18H,3-11H2,1-2H3/t13-,15?,16?,17?,18-,19+,20+/m1/s1
SMILES: C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)OC(=O)C5CC5
InChI: InChI=1S/C23H26N2O2/c1-2-15-14-25-12-10-17(15)13-21(25)22(27-23(26)16-7-8-16)19-9-11-24-20-6-4-3-5-18(19)20/h2-6,9,11,15-17,21-22H,1,7-8,10,12-14H2/p+1/t15-,17-,21-,22+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3[C@H]2O[P@@](=O)(N3C(C)(C)C)CC(=O)OC
InChI: InChI=1S/C17H30NO4P/c1-15(2,3)18-13-11-8-9-17(6,16(11,4)5)14(13)22-23(18,20)10-12(19)21-7/h11,13-14H,8-10H2,1-7H3/t11-,13-,14-,17+,23-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CCN5CCCCC5
InChI: InChI=1S/C26H35NO3/c1-26-13-11-21-20-8-6-19(30-25(29)12-16-27-14-3-2-4-15-27)17-18(20)5-7-22(21)23(26)9-10-24(26)28/h6,8,17,21-23H,2-5,7,9-16H2,1H3/t21-,22+,23+,26+/m1/s1
SMILES: CC1=C(OC(=O)O1)COC(=O)N2CCC(CCC2C(=O)NC([C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)SC)O)O)O)C(C)Cl)CC4CC4
InChI: InChI=1S/C26H39ClN2O10S/c1-12(27)18(22-20(31)19(30)21(32)24(39-22)40-3)28-23(33)16-7-6-15(10-14-4-5-14)8-9-29(16)25(34)36-11-17-13(2)37-26(35)38-17/h12,14-16,18-22,24,30-32H,4-11H2,1-3H3,(H,28,33)/t12?,15?,16?,18?,19-,20+,21+,22+,24+/m0/s1
SMILES: CC(C)[C@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[NH+]([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C
InChI: InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/p+1/t23-,27+,28+,29+,34-,35-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@](C(=O)/C=C/[C@@H]3[C@@H](O3)[C@@H]([C@H](OC(=O)/C=C/[C@@H]2C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)(C)O)O)O
InChI: InChI=1S/C33H52O14/c1-16-8-11-25(36)44-18(3)20(15-42-32-30(41-7)29(40-6)26(37)19(4)45-32)28-23(46-28)9-10-24(35)33(5,39)13-12-22(16)47-31-27(38)21(34)14-17(2)43-31/h8-11,16-23,26-32,34,37-39H,12-15H2,1-7H3/b10-9+,11-8+/t16-,17+,18+,19+,20+,21-,22-,23+,26+,27+,28-,29+,30+,31-,32+,33-/m0/s1
SMILES: CCC(C)(C(=O)OC1[C@H]2C(=C)[C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)O
InChI: InChI=1S/C25H32O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,12,14-18,20,27-28,31-32H,3,6,8-9H2,1-2,4-5H3/t12-,14+,15+,16?,17+,18+,20+,22?,23+,24-,25-/m0/s1
SMILES: B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)CCCCCNS(=O)(=O)CC
InChI: InChI=1S/C29H54BN7O8S/c1-7-46(42,43)33-15-10-8-9-13-25(38)34-21(12-11-14-32-27(31)36-37(40)41)26(39)35-24(16-19(2)3)30-44-23-18-20-17-22(28(20,4)5)29(23,6)45-30/h19-24,33H,7-18H2,1-6H3,(H,34,38)(H,35,39)(H3,31,32,36)/t20-,21+,22-,23-,24+,29+/m1/s1
SMILES: CC1=C([C@@]([C@H](CC1)C(=C)C)(C)CCC(=O)[O-])COC2=CC3=C(C=C2)C=CC(=O)O3
InChI: InChI=1S/C24H28O5/c1-15(2)19-9-5-16(3)20(24(19,4)12-11-22(25)26)14-28-18-8-6-17-7-10-23(27)29-21(17)13-18/h6-8,10,13,19H,1,5,9,11-12,14H2,2-4H3,(H,25,26)/p-1/t19-,24+/m1/s1
SMILES: COC1=C(C=C(C=C1)C[C@H]2[C@@H](COC2=O)C(=O)C3=CC4=C(C=C3)OCO4)OC
InChI: InChI=1S/C21H20O7/c1-24-16-5-3-12(8-18(16)25-2)7-14-15(10-26-21(14)23)20(22)13-4-6-17-19(9-13)28-11-27-17/h3-6,8-9,14-15H,7,10-11H2,1-2H3/t14-,15+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H22N2O5/c1-12(22)20-13-6-8-14(9-7-13)26-17(23)10-11-21-18(24)15-4-2-3-5-16(15)19(21)25/h6-9,15-16H,2-5,10-11H2,1H3,(H,20,22)/t15-,16-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@]1(C(F)(F)F)O)C2=CC(=C(C=C2)O)OC
InChI: InChI=1S/C15H17F3N2O6/c1-3-26-12(22)10-11(7-4-5-8(21)9(6-7)25-2)19-13(23)20-14(10,24)15(16,17)18/h4-6,10-11,21,24H,3H2,1-2H3,(H2,19,20,23)/t10-,11+,14-/m0/s1
SMILES: CC1(OC[C@H](O1)[C@H]2[C@@H](C(=O)C(=O)O2)OCC3=CC=C(C=C3)Br)C
InChI: InChI=1S/C16H17BrO6/c1-16(2)21-8-11(23-16)13-14(12(18)15(19)22-13)20-7-9-3-5-10(17)6-4-9/h3-6,11,13-14H,7-8H2,1-2H3/t11-,13-,14+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O
InChI: InChI=1S/C33H31NO9/c1-40-32-29(36)30(43-31(37)22-17-19-26(20-18-22)34(38)39)28(35)27(42-32)21-41-33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27-30,32,35-36H,21H2,1H3/t27-,28-,29-,30+,32+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)CSC2=CC=CC3=C2N=CC=C3
InChI: InChI=1S/C19H24N4OS2/c1-13-6-2-3-9-15(13)21-19(25)23-22-17(24)12-26-16-10-4-7-14-8-5-11-20-18(14)16/h4-5,7-8,10-11,13,15H,2-3,6,9,12H2,1H3,(H,22,24)(H2,21,23,25)/t13-,15+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C17H16N2O3/c1-9(20)18-12-4-6-13(7-5-12)19-16(21)14-10-2-3-11(8-10)15(14)17(19)22/h2-7,10-11,14-15H,8H2,1H3,(H,18,20)/t10-,11+,14-,15-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)CCC(=O)O)O
InChI: InChI=1S/C26H22BrNO8/c1-36-11-2-3-13(18(29)8-11)21-12-4-5-14-22(26(35)28(25(14)34)7-6-20(31)32)15(12)9-16-23(21)19(30)10-17(27)24(16)33/h2-4,8,10,14-15,21-22,29H,5-7,9H2,1H3,(H,31,32)/t14-,15+,21+,22-/m0/s1
SMILES: CO[C@H]([C@]12CCCC[C@@H]1CCO2)OC(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C17H21FO4/c1-20-16(17-10-3-2-4-13(17)9-11-21-17)22-15(19)12-5-7-14(18)8-6-12/h5-8,13,16H,2-4,9-11H2,1H3/t13-,16+,17+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(N=C(S2)C3=CC=C(C=C3)F)C
InChI: InChI=1S/C20H23FN2O3S/c1-12-5-3-4-6-16(12)23-17(24)11-26-20(25)18-13(2)22-19(27-18)14-7-9-15(21)10-8-14/h7-10,12,16H,3-6,11H2,1-2H3,(H,23,24)/t12-,16+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)OC)(C(=O)C)O)N)O
InChI: InChI=1S/C28H31NO10/c1-11-23(31)15(29)8-18(38-11)39-17-10-28(35,12(2)30)9-14-20(17)27(37-4)22-21(25(14)33)24(32)13-6-5-7-16(36-3)19(13)26(22)34/h5-7,11,15,17-18,23,31,33,35H,8-10,29H2,1-4H3/t11-,15-,17-,18-,23+,28-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=NC=C4)F
InChI: InChI=1S/C21H18FN3O5S/c1-12(22)18-16-10-17(31-15-6-8-23-9-7-15)19(24(16)20(18)26)21(27)30-11-13-2-4-14(5-3-13)25(28)29/h2-9,12,16,18H,10-11H2,1H3/t12-,16-,18-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](CN1)OCC2=CC(=CC=C2)F)O)O)OCC3=CC(=CC=C3)F
InChI: InChI=1S/C20H23F2NO4/c21-15-5-1-3-13(7-15)11-26-17-9-23-10-18(20(25)19(17)24)27-12-14-4-2-6-16(22)8-14/h1-8,17-20,23-25H,9-12H2/t17-,18-,19+,20+/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)O[C@@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2
InChI: InChI=1S/C17H16N2O3S2/c1-8-6-10(8)17(21)22-9(2)14-18-15(20)13-11(7-24-16(13)19-14)12-4-3-5-23-12/h3-5,7-10H,6H2,1-2H3,(H,18,19,20)/t8-,9+,10-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@@H](O2)OC(O3)(C)C)OC)C
InChI: InChI=1S/C13H22O6/c1-12(2)15-6-7(17-12)8-9(14-5)10-11(16-8)19-13(3,4)18-10/h7-11H,6H2,1-5H3/t7-,8-,9+,10-,11+/m1/s1
SMILES: C=CCCCC(=O)N1[C@@H](C[C@]23[C@H]1C4=C([C@H]2CCN(C3)S(=O)(=O)C5=CC=CC=C5)C=C(O4)CCC#C)C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChI: InChI=1S/C30H34N2O4S.6CO.2Co/c1-4-7-10-16-27(33)32-22(6-3)20-30-21-31(37(34,35)24-14-11-9-12-15-24)18-17-26(30)25-19-23(13-8-5-2)36-28(25)29(30)32;6*1-2;;/h2,4,6,9,11-12,14-15,19,22,26,29H,1,3,7-8,10,13,16-18,20-21H2;;;;;;;;/t22-,26-,29-,30-;;;;;;;;/m1......../s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=O)[O-]
InChI: InChI=1S/C17H15ClN2O3S/c18-11-7-5-10(6-8-11)14-9-24-17(19-14)20-15(21)12-3-1-2-4-13(12)16(22)23/h1-2,5-9,12-13H,3-4H2,(H,22,23)(H,19,20,21)/p-1/t12-,13+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)O[C@@H]6[C@@H]([C@H](O[C@H]6N7C=NC8=C(N=CN=C87)N)CO)O)O)O
InChI: InChI=1S/C29H35FN12O17P2/c30-10-2-40(29(48)39-26(10)47)15-1-11(44)13(55-15)4-53-60(49,50)59-21-19(46)14(57-28(21)42-9-38-17-23(32)34-7-36-25(17)42)5-54-61(51,52)58-20-18(45)12(3-43)56-27(20)41-8-37-16-22(31)33-6-35-24(16)41/h2,6-9,11-15,18-21,27-28,43-46H,1,3-5H2,(H,49,50)(H,51,52)(H2,31,33,35)(H2,32,34,36)(H,39,47,48)/t11-,12+,13+,14+,15+,18+,19+,20+,21+,27+,28+/m0/s1
SMILES: CC(CCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2C(=O)CC4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14?,15?,16-,17-,18?,19?,22?,23+,24-/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)CCCC(=O)O)CN(C)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C34H42N2O8/c1-22-30(20-36(2)19-29(39)27-5-3-6-28(38)17-27)43-34(44-33(22)25-13-11-24(21-37)12-14-25)26-15-9-23(10-16-26)18-35-31(40)7-4-8-32(41)42/h3,5-6,9-17,22,29-30,33-34,37-39H,4,7-8,18-21H2,1-2H3,(H,35,40)(H,41,42)/t22-,29-,30+,33+,34+/m1/s1
SMILES: CC[C@@H]1C2([C@H]([C@H]([C@H](O2)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)OC(=O)NCC4=CC=CC=C4)C
InChI: InChI=1S/C37H60N2O10/c1-11-27-37(8)32(48-35(43)38-19-25-15-13-12-14-16-25)24(6)30(49-37)20(2)18-36(7,44)31(22(4)28(40)23(5)33(42)46-27)47-34-29(41)26(39(9)10)17-21(3)45-34/h12-16,20-24,26-32,34,40-41,44H,11,17-19H2,1-10H3,(H,38,43)/t20-,21-,22+,23-,24+,26+,27-,28+,29-,30-,31-,32+,34+,36+,37?/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)C5CCCCCC5)C(=O)N2)C
InChI: InChI=1S/C25H31N3O5/c1-13-9-10-16-21(14(13)2)26-24(33)25(16)20-19(17(27-25)11-12-18(29)30)22(31)28(23(20)32)15-7-5-3-4-6-8-15/h9-10,15,17,19-20,27H,3-8,11-12H2,1-2H3,(H,26,33)(H,29,30)/t17-,19+,20-,25-/m0/s1
SMILES: CCCC1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)N1)C)OC3C[C@@](C([C@@H](O3)C)O)(C)OC)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)C)O)(C)O
InChI: InChI=1S/C39H70N2O11/c1-14-16-27-39(11,46)32(43)22(5)30-20(3)18-38(10,52-30)34(51-36-29(42)26(41(12)15-2)17-21(4)48-36)23(6)31(24(7)35(45)40-27)50-28-19-37(9,47-13)33(44)25(8)49-28/h21-29,31-34,36,42-44,46H,14-19H2,1-13H3,(H,40,45)/t21-,22+,23+,24-,25+,26+,27?,28?,29-,31+,32-,33?,34-,36?,37-,38-,39-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@]3([C@@H](O3)C=O)CCC=C
InChI: InChI=1S/C24H30O3Si/c1-5-6-17-24(22(18-25)27-24)19-26-28(23(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h5,7-16,18,22H,1,6,17,19H2,2-4H3/t22-,24+/m0/s1
SMILES: CCCC[C@H](CC)CNC(=O)C[NH+]1CC[C@@]2(CCCC[C@@H]2[C@@H]1C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C26H42N2O3/c1-4-6-9-20(5-2)18-27-24(29)19-28-17-16-26(30)15-8-7-10-23(26)25(28)21-11-13-22(31-3)14-12-21/h11-14,20,23,25,30H,4-10,15-19H2,1-3H3,(H,27,29)/p+1/t20-,23+,25-,26+/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)C
InChI: InChI=1S/C18H25NO/c1-11-6-12(2)18(13(3)7-11)19-17(20)10-16-9-14-4-5-15(16)8-14/h6-7,14-16H,4-5,8-10H2,1-3H3,(H,19,20)/t14-,15+,16-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CC(C4=C3C=CC(=C4)O)NC(=S)NC5=CC=C(C=C5)CC6CN(CCN(CCN(CCN6CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C42H58N6O10S/c1-42-11-10-31-30-7-6-29(49)19-33(30)35(20-32(31)34(42)8-9-36(42)50)44-41(59)43-27-4-2-26(3-5-27)18-28-21-47(24-39(55)56)15-14-45(22-37(51)52)12-13-46(23-38(53)54)16-17-48(28)25-40(57)58/h2-7,19,28,31-32,34-36,49-50H,8-18,20-25H2,1H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H2,43,44,59)/t28?,31?,32?,34?,35?,36-,42-/m0/s1
SMILES: CC(CC(=O)O)(CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC(=O)/C=C\C4=CC=C(C=C4)O)O)O
InChI: InChI=1S/C37H46O20/c1-37(14-25(42)43,57-36-32(50)30(48)34(24(17-39)54-36)55-26(44)10-7-18-5-8-20(40)9-6-18)15-27(45)52-11-3-4-19-12-21(41)33(22(13-19)51-2)56-35-31(49)29(47)28(46)23(16-38)53-35/h3-10,12-13,23-24,28-32,34-36,38-41,46-50H,11,14-17H2,1-2H3,(H,42,43)/b4-3+,10-7-/t23-,24-,28-,29+,30-,31-,32-,34-,35+,36+,37?/m1/s1
SMILES: CC(=O)N(CCC1=CNC2=CC=CC=C21)[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C18H24N2O6/c1-10(22)20(18-17(25)16(24)15(23)14(9-21)26-18)7-6-11-8-19-13-5-3-2-4-12(11)13/h2-5,8,14-19,21,23-25H,6-7,9H2,1H3/t14-,15+,16+,17+,18+/m0/s1
SMILES: C[C@]1([C@@](O[C@@H]2[C@H](C[C@@H]3C[C@H]([C@H]2O1)N(O3)C)O)(C)OC)OC
InChI: InChI=1S/C14H25NO6/c1-13(17-4)14(2,18-5)20-12-10(16)7-8-6-9(11(12)19-13)15(3)21-8/h8-12,16H,6-7H2,1-5H3/t8-,9+,10-,11+,12+,13-,14-/m0/s1