EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C2[C@H](O[C@H]([C@@H]2[C@H](CC1)C(C)C)/C(=C/CO)/C)CC#C[Si](C)(C)C
InChI: InChI=1S/C22H36O2Si/c1-15(2)18-11-10-16(3)20-19(9-8-14-25(5,6)7)24-22(21(18)20)17(4)12-13-23/h12,15,18-19,21-23H,9-11,13H2,1-7H3/b17-12+/t18-,19-,21-,22+/m1/s1
SMILES: C[C@@H]1[C@@]23CCCN4[C@@H]2[C@@]5([C@@]1([C@@H](C3)C(=O)OC)NC6=CC=CC=C65)CC4
InChI: InChI=1S/C21H26N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-4,6-7,13,15,18,22H,5,8-12H2,1-2H3/t13-,15+,18+,19+,20-,21-/m1/s1
SMILES: CC(C)C1CCC(CC1)N2CCC3(CC2)[C@H]4[C@@H](CN3C5=CC=CC=C5)C(=O)N(C4=O)CCN6CCOCC6
InChI: InChI=1S/C31H46N4O3/c1-23(2)24-8-10-25(11-9-24)33-14-12-31(13-15-33)28-27(22-35(31)26-6-4-3-5-7-26)29(36)34(30(28)37)17-16-32-18-20-38-21-19-32/h3-7,23-25,27-28H,8-22H2,1-2H3/t24?,25?,27-,28+/m1/s1
SMILES: CCNC(=O)O[C@@H]1CC[C@@]2([C@H]([C@]1(C)CO)CC[C@H]([C@H]2CC(=O)NCC3=CC=CS3)O)C
InChI: InChI=1S/C23H36N2O5S/c1-4-24-21(29)30-19-9-10-22(2)16(12-20(28)25-13-15-6-5-11-31-15)17(27)7-8-18(22)23(19,3)14-26/h5-6,11,16-19,26-27H,4,7-10,12-14H2,1-3H3,(H,24,29)(H,25,28)/t16-,17-,18-,19-,22+,23+/m1/s1
SMILES: CN1[C@H]2C[C@@H]([C@@H]([C@H]1[C@@H](C2)O)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9-,10+,13+,14-,15+/m0/s1
SMILES: CC1=C(C=CC(=C1)OC)CCN2CC[C@]34CCCC[C@H]3[C@@H]2CC5=C4C=C(C=C5)O.Cl
InChI: InChI=1S/C26H33NO2.ClH/c1-18-15-22(29-2)9-7-19(18)10-13-27-14-12-26-11-4-3-5-23(26)25(27)16-20-6-8-21(28)17-24(20)26;/h6-9,15,17,23,25,28H,3-5,10-14,16H2,1-2H3;1H/t23-,25-,26+;/m0./s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC=C)O
InChI: InChI=1S/C16H18N2O5/c1-4-7-23-15(20)13-9(2)17-16(21)18-14(13)10-5-6-11(19)12(8-10)22-3/h4-6,8,13-14,19H,1-2,7H2,3H3,(H2,17,18,21)/t13-,14+/m0/s1
SMILES: CCOC(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)[C@@H]3[C@H]([C@H]([C@@H](O3)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H36O17/c1-8-37-29(36)18-9-19(23-27(42-16(6)34)24(40-14(4)32)20(45-23)10-38-12(2)30)44-22(18)26-28(43-17(7)35)25(41-15(5)33)21(46-26)11-39-13(3)31/h9,20-21,23-28H,8,10-11H2,1-7H3/t20-,21+,23+,24-,25+,26-,27+,28+/m1/s1
SMILES: CN(C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=CC=C4)C5=CC=CC=C5)OC
InChI: InChI=1S/C28H29NO7/c1-29(35-4)26(31)22-23(17-11-7-5-8-12-17)28(18-13-9-6-10-14-18)27(32,25(22)30)24-20(34-3)15-19(33-2)16-21(24)36-28/h5-16,22-23,25,30,32H,1-4H3/t22-,23-,25-,27+,28+/m1/s1
SMILES: CCO[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@H]([C@@H](CC5)C)C)C)C)C)C
InChI: InChI=1S/C32H52O3/c1-9-35-25-14-16-29(5)23-11-10-22-26-21(3)20(2)12-15-28(26,4)18-19-30(22,6)31(23,7)17-13-24(29)32(25,8)27(33)34/h10,20-21,23-26H,9,11-19H2,1-8H3,(H,33,34)/t20-,21+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=C(C(=CC=C3)OC)O)(CCSC)C(=O)O
InChI: InChI=1S/C20H26N2O6S/c1-10(2)22-17(24)13-14(18(22)25)20(19(26)27,8-9-29-4)21-15(13)11-6-5-7-12(28-3)16(11)23/h5-7,10,13-15,21,23H,8-9H2,1-4H3,(H,26,27)/t13-,14-,15+,20+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,15,20-22,25-26,31H,9-11,13-14,16-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
SMILES: C1C[C@@H]([C@@H](C1)NC(=O)C2=CC=C(S2)Cl)C(=O)NC3=CC=C(C=C3)N4C=CN=C4CN5CCC(C5)O
InChI: InChI=1S/C25H28ClN5O3S/c26-22-9-8-21(35-22)25(34)29-20-3-1-2-19(20)24(33)28-16-4-6-17(7-5-16)31-13-11-27-23(31)15-30-12-10-18(32)14-30/h4-9,11,13,18-20,32H,1-3,10,12,14-15H2,(H,28,33)(H,29,34)/t18?,19-,20+/m0/s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)OC)NC(=O)OC(C)(C)C)C(=O)OCC[Si](C)(C)C)C(=O)OC)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H]2OC[C@H]([C@H]1O)O2)NC(=O)C
InChI: InChI=1S/C38H65N5O16Si/c1-20(39-32(48)21(2)57-30-28(40-22(3)44)36-56-19-26(58-36)29(30)46)31(47)42-25(34(50)54-8)15-16-27(45)41-24(35(51)55-17-18-60(9,10)11)14-12-13-23(33(49)53-7)43-37(52)59-38(4,5)6/h20-21,23-26,28-30,36,46H,12-19H2,1-11H3,(H,39,48)(H,40,44)(H,41,45)(H,42,47)(H,43,52)/t20-,21+,23+,24-,25+,26+,28+,29+,30+,36-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCCCCCF)CO)O
InChI: InChI=1S/C20H29FN2O5/c21-9-7-5-3-1-2-4-6-8-15-10-14-12-23(20(26)22-19(14)27-15)18-11-16(25)17(13-24)28-18/h10,12,16-18,24-25H,1-9,11,13H2/t16-,17+,18+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C
InChI: InChI=1S/C24H38N4O2/c1-17-9-7-11-22(19(17)3)25-23(29)16-27-12-14-28(15-13-27)20(4)24(30)26-21-10-6-5-8-18(21)2/h7,9,11,18,20-21H,5-6,8,10,12-16H2,1-4H3,(H,25,29)(H,26,30)/p+2/t18-,20-,21-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OCC2=CC=CC=C2)OP3(=O)OCC4=CC=CC=C4CO3)OC(=O)C)OCC5=CC=CC=C5
InChI: InChI=1S/C34H37O12P/c1-22(35)43-31-29(39-18-25-12-6-4-7-13-25)33(45-24(3)37)34(46-47(38)41-20-27-16-10-11-17-28(27)21-42-47)30(32(31)44-23(2)36)40-19-26-14-8-5-9-15-26/h4-17,29-34H,18-21H2,1-3H3/t29-,30-,31-,32-,33-,34+/m0/s1
SMILES: CCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C31H28BrNO4/c1-2-3-4-9-18-37-30(36)19-14-16-20(17-15-19)33-28(34)26-25-21-10-5-7-12-23(21)31(32,27(26)29(33)35)24-13-8-6-11-22(24)25/h5-8,10-17,25-27H,2-4,9,18H2,1H3/t25?,26-,27+,31?/m0/s1
SMILES: C1C[C@H]2[C@@H](C1)N(O[C@H]2CCCCCCCCC3=CN=CC=C3)CCCC/C=C\CCCCCCCCC4=CN=CC=C4
InChI: InChI=1S/C38H59N3O/c1(3-5-7-11-15-22-34-24-20-29-39-32-34)2-4-6-10-14-18-31-41-37-27-19-26-36(37)38(42-41)28-17-13-9-8-12-16-23-35-25-21-30-40-33-35/h4,6,20-21,24-25,29-30,32-33,36-38H,1-3,5,7-19,22-23,26-28,31H2/b6-4-/t36-,37+,38-/m0/s1
SMILES: C1=CC=C(C=C1)[N+]2=C([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)[C@H]7[C@@H](C6=O)O[N+](=C7C8=CC=CC=C8[N+](=O)[O-])C9=CC=CC=C9)C1=CC=CC=C1[N+](=O)[O-]
InChI: InChI=1S/C47H32N6O10/c54-44-38-40(34-15-7-9-17-36(34)52(58)59)50(32-11-3-1-4-12-32)62-42(38)46(56)48(44)30-23-19-28(20-24-30)27-29-21-25-31(26-22-29)49-45(55)39-41(35-16-8-10-18-37(35)53(60)61)51(63-43(39)47(49)57)33-13-5-2-6-14-33/h1-26,38-39,42-43H,27H2/q+2/t38-,39+,42+,43-
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H]([C@@H]1CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)C
InChI: InChI=1S/C19H42O5SSi2/c1-18(2,3)26(8,9)22-13-15-12-17(24-25(7,20)21)16(15)14-23-27(10,11)19(4,5)6/h15-17H,12-14H2,1-11H3/t15-,16-,17+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)N2)CCC4=C3C=CC(=C4)OCCN(C)C
InChI: InChI=1S/C22H32N2O2/c1-22-11-10-18-17-7-5-16(26-13-12-24(2)3)14-15(17)4-6-19(18)20(22)8-9-21(25)23-22/h5,7,14,18-20H,4,6,8-13H2,1-3H3,(H,23,25)/t18-,19-,20+,22+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C(C=C2)/C(=C\3/C=CC(=O)C(=C3)Cl)/C4=CC=CC=C4S(=O)(=O)O)Cl)CO)O)O
InChI: InChI=1S/C27H25Cl2NO10S/c1-13(32)30-24-26(35)25(34)21(12-31)40-27(24)39-20-9-7-15(11-18(20)29)23(14-6-8-19(33)17(28)10-14)16-4-2-3-5-22(16)41(36,37)38/h2-11,21,24-27,31,34-35H,12H2,1H3,(H,30,32)(H,36,37,38)/b23-14+/t21-,24-,25-,26-,27-/m1/s1
SMILES: CC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)N(C3=[N+]2C(=C(S3)C4=CC=CC=C4)[O-])C5=CC=CC=C5)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H26N2O8S/c1-15(30)34-14-20(35-16(2)31)22-23(36-17(3)32)21-26(37-22)28(19-12-8-5-9-13-19)27-29(21)25(33)24(38-27)18-10-6-4-7-11-18/h4-13,20-23,26H,14H2,1-3H3/t20-,21-,22-,23-,26+/m1/s1
SMILES: COC1=CC=C(C=C1)CNC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C21H26N2O6/c1-28-15-8-6-14(7-9-15)12-22-18(24)13-29-19(25)10-11-23-20(26)16-4-2-3-5-17(16)21(23)27/h6-9,16-17H,2-5,10-13H2,1H3,(H,22,24)/t16-,17+
SMILES: COC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H24N2O6/c1-27-14-8-6-13(7-9-14)21-17(23)12-28-18(24)10-11-22-19(25)15-4-2-3-5-16(15)20(22)26/h6-9,15-16H,2-5,10-12H2,1H3,(H,21,23)/t15-,16-/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H19N3O5/c1-15-7-5-6-10-19(15)25-23(28)20-21(16-11-13-18(14-12-16)27(30)31)26(32-22(20)24(25)29)17-8-3-2-4-9-17/h2-14,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5I
InChI: InChI=1S/C27H18IN3O/c28-21-12-6-5-11-20(21)26(32)25-24(19-9-2-1-3-10-19)27(16-29,17-30)23-15-14-18-8-4-7-13-22(18)31(23)25/h1-15,23-25H/t23-,24-,25+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C=C4[C@@]3([C@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC(=O)C)C)O)C)C)OC1
InChI: InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h13,16-17,19-22,24-26,31H,6-12,14-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,24+,25+,26+,27+,28-,29-/m1/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CSC4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C29H32N2O6S/c1-3-30-29(35)31-23-12-8-22(9-13-23)28-36-25(17-38-24-14-10-21(11-15-24)27(33)34)18(2)26(37-28)20-6-4-19(16-32)5-7-20/h4-15,18,25-26,28,32H,3,16-17H2,1-2H3,(H,33,34)(H2,30,31,35)/t18-,25+,26+,28+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl
InChI: InChI=1S/C17H22ClNO4S/c1-11-4-2-3-5-12(11)19-16(21)10-23-17(22)9-6-13(20)14-7-8-15(18)24-14/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,21)/t11-,12-/m0/s1
SMILES: CC/C=C\C[C@H]1[C@H](C=C[C@H]1O[Si](CC)(CC)CC)CCCCCCCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C40H64O2Si2/c1-8-12-19-31-38-35(32-33-39(38)42-43(9-2,10-3)11-4)26-20-15-13-14-16-25-34-41-44(40(5,6)7,36-27-21-17-22-28-36)37-29-23-18-24-30-37/h12,17-19,21-24,27-30,32-33,35,38-39H,8-11,13-16,20,25-26,31,34H2,1-7H3/b19-12-/t35-,38-,39+/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCOC
InChI: InChI=1S/C19H27N3O4/c1-5-22(6-2)15-9-7-14(8-10-15)17-16(13(3)20-19(24)21-17)18(23)26-12-11-25-4/h7-10,16-17H,3,5-6,11-12H2,1-2,4H3,(H2,20,21,24)/t16-,17+/m1/s1
SMILES: C=CC[C@H]([C@H]1[C@@]2(CO[C@H](O1)C3=CC=CC=C3)CO2)OCC4=CC=CC=C4
InChI: InChI=1S/C22H24O4/c1-2-9-19(23-14-17-10-5-3-6-11-17)20-22(16-25-22)15-24-21(26-20)18-12-7-4-8-13-18/h2-8,10-13,19-21H,1,9,14-16H2/t19-,20+,21-,22-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC7=CC=CC=C7C=C6)OCC=C)CCCCO)CCCCO)C(=O)OCC(C)(C)C
InChI: InChI=1S/C53H65N3O10/c1-6-26-55(51(59)62-35-52(3,4)5)48-33-46(54-64-34-36-18-21-40(22-19-36)56(60)61)44-31-39(16-10-12-27-57)43(17-11-13-28-58)49-45-32-42(65-41-23-20-37-14-8-9-15-38(37)30-41)24-25-47(45)66-53(48,50(44)49)63-29-7-2/h7-9,14-15,18-25,30-32,39,43,48-50,57-58H,2,6,10-13,16-17,26-29,33-35H2,1,3-5H3/t39-,43+,48-,49+,50+,53+/m0/s1
SMILES: CCCCC/C=C\C[C@]\1([C@H]2[C@](O2)(C(=O)/C1=C/C=C\CCCC(=O)OC)Cl)O
InChI: InChI=1S/C21H29ClO5/c1-3-4-5-6-9-12-15-20(25)16(18(24)21(22)19(20)27-21)13-10-7-8-11-14-17(23)26-2/h7,9-10,12-13,19,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,16-13-/t19-,20-,21+/m0/s1
SMILES: CCNC(=O)O[C@@H]1CC[C@@]2([C@@H]([C@]1(C)CO)CC[C@H]([C@H]2CC(=O)NCC3=CC(=CC(=C3)F)F)O)C
InChI: InChI=1S/C25H36F2N2O5/c1-4-28-23(33)34-21-7-8-24(2)18(19(31)5-6-20(24)25(21,3)14-30)12-22(32)29-13-15-9-16(26)11-17(27)10-15/h9-11,18-21,30-31H,4-8,12-14H2,1-3H3,(H,28,33)(H,29,32)/t18-,19-,20+,21-,24+,25+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O)N=[N+]=[N-]
InChI: InChI=1S/C22H25N3O6/c1-15(26)30-21-19(24-25-23)22(27)31-18(14-28-12-16-8-4-2-5-9-16)20(21)29-13-17-10-6-3-7-11-17/h2-11,18-22,27H,12-14H2,1H3/t18-,19-,20+,21-,22+/m1/s1
SMILES: C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C8H13N3O7/c9-11-10-1-2-17-8-5(14)3(12)4(13)6(18-8)7(15)16/h3-6,8,12-14H,1-2H2,(H,15,16)/t3-,4-,5+,6-,8+/m0/s1
SMILES: C[C@H]1C=CC[C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=CC(=CC(=C4)C)C
InChI: InChI=1S/C24H24N2O3/c1-14-11-15(2)13-17(12-14)25-22(27)18-8-4-5-10-20(18)26-23(28)19-9-6-7-16(3)21(19)24(26)29/h4-8,10-13,16,19,21H,9H2,1-3H3,(H,25,27)/t16-,19+,21-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H]2N1C[C@@H](C2)O)O)O)O
InChI: InChI=1S/C9H17NO4/c1-4-7(12)9(14)8(13)6-2-5(11)3-10(4)6/h4-9,11-14H,2-3H2,1H3/t4-,5+,6-,7+,8+,9+/m0/s1
SMILES: CN([C@@H]1CCCC[C@H]1N2CCCCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C20H27F3N2O/c1-24(19(26)15-9-11-16(12-10-15)20(21,22)23)17-7-3-4-8-18(17)25-13-5-2-6-14-25/h9-12,17-18H,2-8,13-14H2,1H3/t17-,18-/m1/s1
SMILES: COC1=C(C=C2[C@@H]3[C@H](C4=CC(=C(C=C4CN3CCC2=C1)OC)OC)O)OC
InChI: InChI=1S/C21H25NO5/c1-24-16-7-12-5-6-22-11-13-8-17(25-2)19(27-4)10-15(13)21(23)20(22)14(12)9-18(16)26-3/h7-10,20-21,23H,5-6,11H2,1-4H3/t20-,21+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C21H32FN3O3S/c1-15-5-4-6-20(16(15)2)23-21(26)17(3)24-11-13-25(14-12-24)29(27,28)19-9-7-18(22)8-10-19/h7-10,15-17,20H,4-6,11-14H2,1-3H3,(H,23,26)/p+1/t15-,16+,17+,20+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2CCNC(=O)C3=C(C=CC(=C3)Cl)O
InChI: InChI=1S/C18H25ClN2O2/c19-14-7-8-17(22)15(12-14)18(23)20-9-11-21-10-3-5-13-4-1-2-6-16(13)21/h7-8,12-13,16,22H,1-6,9-11H2,(H,20,23)/t13-,16-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]3[C@H]([C@H](C[C@]2(C(=O)OC)O)O[Si](C)(C)C(C)(C)C)OC(O3)(C)C
InChI: InChI=1S/C24H38O9SSi/c1-15-10-12-16(13-11-15)34(27,28)32-20-19-18(30-23(5,6)31-19)17(14-24(20,26)21(25)29-7)33-35(8,9)22(2,3)4/h10-13,17-20,26H,14H2,1-9H3/t17-,18-,19-,20+,24-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl
InChI: InChI=1S/C18H17Cl2N3O5/c19-10-7-13(20)16(21-8-10)22-14(24)9-28-15(25)5-6-23-17(26)11-3-1-2-4-12(11)18(23)27/h1-2,7-8,11-12H,3-6,9H2,(H,21,22,24)/t11-,12+
SMILES: C1[C@@H]([C@](C(=O)N1CC2=CC=CC=C2)(C3=CC=CC=C3)Cl)CCl
InChI: InChI=1S/C18H17Cl2NO/c19-11-16-13-21(12-14-7-3-1-4-8-14)17(22)18(16,20)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-,18-/m0/s1
SMILES: CCCCN1[C@@H]([C@@H](C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C23H25NO7/c1-4-5-8-24-21(13-6-7-16-19(9-13)31-12-30-16)20(23(26)27)14-10-17(28-2)18(29-3)11-15(14)22(24)25/h6-7,9-11,20-21H,4-5,8,12H2,1-3H3,(H,26,27)/t20-,21-/m1/s1
SMILES: CC1=C([C@]23CCC4=C([C@@]2(CC[C@H]1[C@H]3NCC=C)C)C=C(C=C4)O)C
InChI: InChI=1S/C22H29NO/c1-5-12-23-20-18-9-10-21(4)19-13-17(24)7-6-16(19)8-11-22(20,21)15(3)14(18)2/h5-7,13,18,20,23-24H,1,8-12H2,2-4H3/t18-,20-,21+,22+/m1/s1
SMILES: COC(=O)C1=C([C@@H]2[C@@H]3[C@H]([C@@H]1O2)O3)C(=O)OC
InChI: InChI=1S/C10H10O6/c1-13-9(11)3-4(10(12)14-2)6-8-7(16-8)5(3)15-6/h5-8H,1-2H3/t5-,6-,7-,8+/m1/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)C6=CC=CC=C6N5C)O)(C(=O)C)O)NC(=O)C(F)(F)F)O
InChI: InChI=1S/C31H29F3N2O10/c1-11-24(38)15(35-29(43)31(32,33)34)8-18(45-11)46-17-10-30(44,12(2)37)9-14-19(17)26(40)22-21(25(14)39)28(42)23-20(27(22)41)13-6-4-5-7-16(13)36(23)3/h4-7,11,15,17-18,24,38-40,44H,8-10H2,1-3H3,(H,35,43)/t11-,15-,17+,18-,24+,30+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H](C[C@@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C29H42O19/c1-41-14-5-12(6-15(42-2)21(14)35)3-4-19(34)43-10-18-26(46-28-25(39)24(38)22(36)16(8-30)45-28)13(33)7-20(44-18)48-29(11-32)27(40)23(37)17(9-31)47-29/h3-6,13,16-18,20,22-28,30-33,35-40H,7-11H2,1-2H3/b4-3+/t13-,16-,17-,18-,20+,22-,23-,24+,25-,26+,27+,28+,29+/m1/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC=C(O4)CO)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C22H17BrN2O7/c23-13-6-14(27)17-12(19(13)28)5-11-9(18(17)15-4-1-8(7-26)32-15)2-3-10-16(11)21(30)25(20(10)29)22(24)31/h1-2,4,6,10-11,16,18,26H,3,5,7H2,(H2,24,31)/t10-,11+,16-,18+/m0/s1
SMILES: C/C(=C/CO)/CC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C
InChI: InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10-/t16-,17+,19-,20+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H24N4O3S2/c1-11-4-3-5-15(12(11)2)18-17(25)20-19-16(22)10-26-14-8-6-13(7-9-14)21(23)24/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,19,22)(H2,18,20,25)/t11-,12-,15+/m1/s1
SMILES: CCC1=C[N+](=C(OCC(Cl)(Cl)Cl)O[Si](C)(C)C)[C@H]2C[C@@]3([C@H]4C[C@@H]1[C@@H]2CO4)C5=C(C=C(C=C5)OC)NC3=O
InChI: InChI=1S/C26H33Cl3N2O5Si/c1-6-15-12-31(24(36-37(3,4)5)35-14-26(27,28)29)21-11-25(22-10-17(15)18(21)13-34-22)19-8-7-16(33-2)9-20(19)30-23(25)32/h7-9,12,17-18,21-22H,6,10-11,13-14H2,1-5H3/p+1/t17-,18-,21-,22+,25-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)N3C=C(N=N3)COC4=CC=CC=C4)NC(=O)C5=CC=CO5
InChI: InChI=1S/C20H20N4O5/c25-20(17-7-4-8-26-17)21-15-11-28-19-16(12-29-18(15)19)24-9-13(22-23-24)10-27-14-5-2-1-3-6-14/h1-9,15-16,18-19H,10-12H2,(H,21,25)/t15-,16-,18+,19+/m0/s1
SMILES: CC(C)(C)OC(=O)C[C@H]([C@@H]1[C@H](O1)CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C43H56O5Si2/c1-41(2,3)47-39(44)32-38(48-50(43(7,8)9,35-26-18-12-19-27-35)36-28-20-13-21-29-36)40-37(46-40)30-31-45-49(42(4,5)6,33-22-14-10-15-23-33)34-24-16-11-17-25-34/h10-29,37-38,40H,30-32H2,1-9H3/t37-,38-,40+/m1/s1
SMILES: [2H]C1=CN(C(=O)N=C1[15NH2])[13C@H]2[13C@@H]([13C@@H]([13C@H](O2)[13CH2]OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)O
InChI: InChI=1S/C30H31N3O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)33-17-16-25(31)32-29(33)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H2,31,32,36)/t24-,26-,27-,28-/m1/s1/i16D,18+1,24+1,26+1,27+1,28+1,31+1
SMILES: CC(=N)[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C12H16N6O2/c1-6(13)7-2-9(20-8(7)3-19)18-5-17-10-11(14)15-4-16-12(10)18/h4-5,7-9,13,19H,2-3H2,1H3,(H2,14,15,16)/t7-,8-,9-/m1/s1
SMILES: CCOC1=CC2=C(C=C1)N[C@@H]3[C@H](C2(C)C)CSC4=C3C(=NN4C5=CC=CC=C5)C
InChI: InChI=1S/C24H27N3OS/c1-5-28-17-11-12-20-18(13-17)24(3,4)19-14-29-23-21(22(19)25-20)15(2)26-27(23)16-9-7-6-8-10-16/h6-13,19,22,25H,5,14H2,1-4H3/t19-,22-/m1/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NS(=O)(=O)C3=CC=C(C=C3)CC(=O)O)SC1)C(=O)O
InChI: InChI=1S/C16H16N2O7S2/c1-8-7-26-15-12(14(21)18(15)13(8)16(22)23)17-27(24,25)10-4-2-9(3-5-10)6-11(19)20/h2-5,12,15,17H,6-7H2,1H3,(H,19,20)(H,22,23)/t12-,15-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CSC3=NC=C(C(=N3)N)C#N
InChI: InChI=1S/C16H21N5OS/c17-8-12-9-19-16(20-15(12)18)23-10-14(22)21-7-3-5-11-4-1-2-6-13(11)21/h9,11,13H,1-7,10H2,(H2,18,19,20)/t11-,13+/m0/s1
SMILES: C1=CC=C(C(=C1)[C@H]2[C@@H](SC(=C2C#N)N)C(=O)C3=CC=C(C=C3)F)C(F)(F)F
InChI: InChI=1S/C19H12F4N2OS/c20-11-7-5-10(6-8-11)16(26)17-15(13(9-24)18(25)27-17)12-3-1-2-4-14(12)19(21,22)23/h1-8,15,17H,25H2/t15-,17-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)NC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H23ClN2O4/c1-13-6-11-16(24-21(27)17-4-2-3-5-18(17)22(28)29)12-19(13)25-20(26)14-7-9-15(23)10-8-14/h6-12,17-18H,2-5H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t17-,18-/m1/s1
SMILES: CCCCCCCCCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C30H35NO4/c1-2-3-4-5-6-7-8-13-18-35-24(32)19-31-29(33)27-25-20-14-9-10-15-21(20)26(28(27)30(31)34)23-17-12-11-16-22(23)25/h9-12,14-17,25-28H,2-8,13,18-19H2,1H3/t25?,26?,27-,28-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C17H17NO4/c1-10(11-5-3-2-4-6-11)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h2-8,10,12-14H,9H2,1H3,(H,20,21)/t10-,12+,13-,14+,17+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC#CC)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C23H40O3Si/c1-8-10-12-13-18(24)15-16-20-19(14-11-9-2)21(25)17-22(20)26-27(6,7)23(3,4)5/h15-16,18-20,22,24H,8,10,12-14,17H2,1-7H3/b16-15+/t18-,19+,20+,22+/m0/s1
SMILES: CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C21H32N2O3/c1-2-25-19-7-9-20(10-8-19)26-14-12-22-21(24)16-23-13-11-17-5-3-4-6-18(17)15-23/h7-10,17-18H,2-6,11-16H2,1H3,(H,22,24)/p+1/t17-,18+/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)[C@@H]([C@H]2OC(=O)C)OC(=O)/C=C/C5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C29H39NO6/c1-18-15-21-22-7-5-13-30-14-6-8-23(29(22,30)17-18)28(27(21)35-19(2)31)36-26(32)12-10-20-9-11-24(33-3)25(16-20)34-4/h9-12,16,18,21-23,27-28H,5-8,13-15,17H2,1-4H3/b12-10+/t18-,21-,22-,23-,27+,28+,29-/m1/s1
SMILES: CC(=C1[C@@H]2[C@H]3[C@@H]([C@H]1C4=CC=CC=C24)C5([C@H]6[C@@H](C3(N5CC7=CC=CC=C7)C(=O)OC)[C@@H]8C9=CC=CC=C9[C@H]6C8=C(C)C)C(=O)OC)C
InChI: InChI=1S/C41H41NO4/c1-21(2)28-30-24-16-10-11-17-25(24)31(28)35-34(30)40(38(43)45-5)36-32-26-18-12-13-19-27(26)33(29(32)22(3)4)37(36)41(35,39(44)46-6)42(40)20-23-14-8-7-9-15-23/h7-19,30-37H,20H2,1-6H3/t30-,31+,32-,33+,34+,35-,36+,37-,40?,41?
SMILES: C[C@@H]1C=C(C[C@H]([C@@H]1C(=O)[O-])C(=O)NCC2=CN=CC=C2)C
InChI: InChI=1S/C16H20N2O3/c1-10-6-11(2)14(16(20)21)13(7-10)15(19)18-9-12-4-3-5-17-8-12/h3-6,8,11,13-14H,7,9H2,1-2H3,(H,18,19)(H,20,21)/p-1/t11-,13-,14-/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)OCC3=CC=C(C=C3)C#N
InChI: InChI=1S/C19H18N2O4/c20-11-13-5-7-14(8-6-13)12-25-17(22)9-10-21-18(23)15-3-1-2-4-16(15)19(21)24/h1-2,5-8,15-16H,3-4,9-10,12H2/t15-,16+
SMILES: C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)[C@@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C18H20F3N3O/c19-18(20,21)14-3-4-16(22-11-14)23-5-7-24(8-6-23)17(25)15-10-12-1-2-13(15)9-12/h1-4,11-13,15H,5-10H2/p+1/t12-,13+,15-/m1/s1
SMILES: C1[C@@H]([C@@H](CO1)C[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC=O
InChI: InChI=1S/C7H11O2.3C6H5.Sn/c1-6-4-9-5-7(6)2-3-8;3*1-2-4-6-5-3-1;/h3,6-7H,1-2,4-5H2;3*1-5H;/t6-,7+;;;;/m1..../s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H]3[C@@H](NC(=O)O3)CC4=CC=CC=C4
InChI: InChI=1S/C25H37N3O3/c1-25(2,3)27-23(29)21-14-18-11-7-8-12-19(18)15-28(21)16-22-20(26-24(30)31-22)13-17-9-5-4-6-10-17/h4-6,9-10,18-22H,7-8,11-16H2,1-3H3,(H,26,30)(H,27,29)/t18-,19+,20-,21-,22+/m0/s1
SMILES: C[C@H](CO[C@H]1[C@H]2C[C@H]([C@@H]3[C@@]24C[C@@H]5[C@]3(C(=O)O[C@@H](C5OC(=O)C)C4=CO1)C)O)[C@H](C)O
InChI: InChI=1S/C22H30O8/c1-9(10(2)23)7-27-19-12-5-15(25)18-21(4)13-6-22(12,18)14(8-28-19)17(30-20(21)26)16(13)29-11(3)24/h8-10,12-13,15-19,23,25H,5-7H2,1-4H3/t9-,10+,12-,13+,15-,16?,17-,18+,19-,21-,22+/m1/s1
SMILES: C[C@H]1C(=O)CC[C@H]2[C@@]1(CC[C@@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C)C)C)C)C
InChI: InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22-,23+,24-,26+,27+,28-,29+,30-/m0/s1
SMILES: C[C@]12CC[C@H](CC1=CC[C@@H]3[C@H]2CC[C@]4([C@@H]3C[C@H]5[C@]4(OC(O5)(C)C)C(=O)/C=C/OC)C)O
InChI: InChI=1S/C26H38O5/c1-23(2)30-22-15-20-18-7-6-16-14-17(27)8-11-24(16,3)19(18)9-12-25(20,4)26(22,31-23)21(28)10-13-29-5/h6,10,13,17-20,22,27H,7-9,11-12,14-15H2,1-5H3/b13-10+/t17-,18-,19-,20-,22+,24+,25+,26-/m1/s1
SMILES: CCOC(=O)C1=C([C@]2([C@]3([C@@]([C@@]1(O2)OC4=CC=C(C=C4)F)([C@]3(OC5=CC=C(C=C5)F)Cl)C(=O)OCC)C(=O)OCC)OCC)Cl
InChI: InChI=1S/C30H28Cl2F2O10/c1-5-38-23(35)21-22(31)29(41-8-4)27(25(37)40-7-3)26(24(36)39-6-2,30(27,32)43-20-15-11-18(34)12-16-20)28(21,44-29)42-19-13-9-17(33)10-14-19/h9-16H,5-8H2,1-4H3/t26-,27+,28+,29-,30+/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H](C[C@@](C[C@@H]1O)(C(=O)O)O)[C@@H]([C@@H](CO)O)O
InChI: InChI=1S/C12H21NO8/c1-5(15)13-9-6(10(18)8(17)4-14)2-12(21,11(19)20)3-7(9)16/h6-10,14,16-18,21H,2-4H2,1H3,(H,13,15)(H,19,20)/t6-,7+,8-,9+,10+,12-/m1/s1
SMILES: C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@H]([C@H]1C)O[Si](C)(C)C(C)(C)C)OC)OC)OC)OC)OCO3
InChI: InChI=1S/C29H42O7Si/c1-16-12-18-13-21-26(35-15-34-21)27(32-8)22(18)23-19(14-20(30-6)25(31-7)28(23)33-9)24(17(16)2)36-37(10,11)29(3,4)5/h13-14,16-17,24H,12,15H2,1-11H3/t16-,17-,24-/m0/s1
SMILES: C[C@H]1CC(=O)N([C@H]2[C@@H]1C2(Cl)Cl)CC3=CC=C(C=C3)OC
InChI: InChI=1S/C15H17Cl2NO2/c1-9-7-12(19)18(14-13(9)15(14,16)17)8-10-3-5-11(20-2)6-4-10/h3-6,9,13-14H,7-8H2,1-2H3/t9-,13+,14-/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=C(C=C8)O)C(=O)N(C7=O)C9=CC=CC(=C9)C(=O)O)C
InChI: InChI=1S/C41H33ClN4O7S/c1-19-27-16-22(42)9-14-31(27)54-35(19)30-18-32(44(3)43-30)46-37(49)29-17-28-25(34(41(29,2)40(46)53)20-7-10-24(47)11-8-20)12-13-26-33(28)38(50)45(36(26)48)23-6-4-5-21(15-23)39(51)52/h4-12,14-16,18,26,28-29,33-34,47H,13,17H2,1-3H3,(H,51,52)/t26-,28+,29-,33-,34-,41+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H23ClN4OS/c1-12-5-3-4-6-15(12)20-16(24)11-25-18-22-21-17(23(18)2)13-7-9-14(19)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3,(H,20,24)/t12-,15-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CN(C[C@@H]1C2=CC=CC=C2OC)CC3=CC=CC=C3
InChI: InChI=1S/C23H30N2O3/c1-23(2,3)28-22(26)24-20-16-25(14-17-10-6-5-7-11-17)15-19(20)18-12-8-9-13-21(18)27-4/h5-13,19-20H,14-16H2,1-4H3,(H,24,26)/t19-,20+/m1/s1