smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C-]#N.[Zn+2].[C-]#N.BrC1=C(C(=CC=C1)F)N1N=C2C(=NN(C=3C=CC=CC23)CC2=CC=C(C=C2)N2N=CC=C2)C1=O>N(C)(C)C=O.[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>FC=1C(=C(C#N)C=CC1)N1N=C2C(=NN(C=3C=CC=CC23)CC2=CC=C(C=C2)N2N=CC=C2)C1=O | 3 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C2=NC=NC(=C2N=C1)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1)N1C(N=C(C=C1)N)=O)COP(=O)(O)O)CSSC(C)(C)C>>N[C@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C2=NC=NC(=C2N=C1)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1)N1C(N=C(C=C1)N)=O)COP(=O)(O)O)CSSC(C)(C)C | 5 |
CI.IC1=NNC2=CC=C(C=C12)OC(F)(F)F>>IC1=NN(C2=CC=C(C=C12)OC(F)(F)F)C | 5 |
OC1CCNCC1.C(C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C12)N1CCN(CC1)C1=NC=C(N=C1)C(COS(=O)(=O)C)(C)O>>C(C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C12)N1CCN(CC1)C1=NC=C(N=C1)C(CN1CCC(CC1)O)(C)O | 5 |
[CH2:1]([N:4]([C:18]([O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)=[O:19])[C:5]1[C:10](=[O:11])[N:9]2[C@H:12]([C:15]([OH:17])=O)[CH2:13][CH2:14][C:8]2=[N:7][CH:6]=1)[CH:2]=[CH2:3].[NH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.C1C=NC2N(O)N=NC=2C=1.C([O-])(O)=O.[Na+].CCN=C=NCCCN(C)C>CCOC(C)=O.C(C... | 1 |
[CH:1]1[C:14]2[C:5](=[N:6][C:7]3[C:12]([C:13]=2[C:15]([OH:17])=O)=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH:4]=[CH:3][CH:2]=1.[O:18]=[S:19]1(=[O:29])[CH:23]=[CH:22][C:21]2[CH:24]=[CH:25][C:26]([NH2:28])=[CH:27][C:20]1=2.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(Cl)Cl>[O:18]=[S:19]1(=[O:29])[CH:23... | 2 |
BrCCC1=CC=CC=C1.C(C1=CC=CC=C1)O[C@@H]1[C@H](NC[C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)CO>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)O[C@@H]1[C@H](N(C[C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)CCC1=CC=CC=C1)CO | 3 |
C(C)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC=1N=C2N(N=CC(=C2N[C@@H]2CN(C[C@@H]2CC)C(=O)OC(C)(C)C)C(N)=O)C1>>C(N)(=O)C1=C(C=2N(N=C1)C=C(N2)C=2C=NN(C2)CC)N[C@@H]2CN(C[C@@H]2CC)C(=O)OC(C)(C)C | 5 |
[CH3:1][O:2][C:3](=[O:13])[C:4](=[O:12])[C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1.[H-].[Na+].Cl[CH2:17][O:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>CN(C)C=O>[CH3:1][O:2][C:3](=[O:13])[C:4](=[O:12])[C:5]1[CH:10]=[CH:9][C:8]([O:11][CH2:17][O:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[CH:7][CH:6]=... | 1 |
[NH2:1][CH:2]1[C:8](=[O:9])[N:7]2[CH:3]1[CH2:4][C:5]([Cl:20])=[C:6]2[C:10]([O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:11].N1C=CC=CC=1.[N:27]([CH:30]([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[C:31](Cl)=[O:32])=[N+:28]=[N-:29]>C(Cl)Cl>[N:27]([CH:30]([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]... | 1 |
FC(OC1=CC=C(OC2CN(C2)CCCC(=O)O)C=C1)(F)F>ClS(Cl)=O>FC(OC1=CC=C(OC2CN(C2)CCCC(=O)Cl)C=C1)(F)F | 3 |
BrC1=CC=CC(=N1)OCC1=C(C=C(C=C1)Cl)CCC(=O)OCC>O.C1CCCO1.ClCCl.[BH4-].[Li+]>BrC1=CC=CC(=N1)OCC1=C(C=C(C=C1)Cl)CCCO | 3 |
IC1=NC=CN=C1.ClC1=CC(=C(C=C1)B(O)O)C(=O)OCC>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>ClC=1C=CC(=C(C(=O)OCC)C1)C1=NC=CN=C1 | 3 |
[C:1]([NH:4][C:5]1[N:10]=[C:9]([CH3:11])[CH:8]=[CH:7][CH:6]=1)(=O)[CH3:2].B#B>>[CH2:1]([NH:4][C:5]1[N:10]=[C:9]([CH3:11])[CH:8]=[CH:7][CH:6]=1)[CH3:2] | 1 |
[CH2:1]([Sn:5](=O)[CH2:6][CH2:7][CH2:8][CH3:9])[CH2:2][CH2:3][CH3:4].[OH:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][CH2:19][C:20]([OH:22])=[O:21])=[CH:14][CH:13]=1>>[OH:11][C:12]1[CH:13]=[CH:14][C:15]([CH2:18][CH2:19][C:20]([O-:22])=[O:21])=[CH:16][CH:17]=1.[OH:11][C:12]1[CH:13]=[CH:14][C:15]([CH2:18][CH2:19][C:20]([O-:2... | 1 |
Cl.Cl.COC(=O)C1=CC=C(CNC(=N)NC(=N)NCCCCCCCCCC)C=C1>CO[H].CC(=O)C.N1CCCCC1>Cl.CC1(N=C(NC(=N1)NCC1=CC=C(C=C1)C(=O)O)NCCCCCCCCCC)C | 3 |
Cl[C:2]1[C:7]([O:8][C:9]2[CH:14]=[C:13]([O:15][CH3:16])[CH:12]=[CH:11][C:10]=2[Cl:17])=[C:6]([Cl:18])[N:5]=[CH:4][N:3]=1.[CH:19]([C:22]1[CH:23]=[CH:24][C:25]([S:28]([NH2:31])(=[O:30])=[O:29])=[N:26][CH:27]=1)([CH3:21])[CH3:20].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>CS(C)=O>[Cl:18][C:6]1[N:5]=[CH:4][N:3]=[C:2]([NH:31][S:28]([C:25... | 1 |
OCCC=1C=CC2=C(N(CCN2C)C(=O)OC(C)(C)C)N1>>ICCC=1C=CC2=C(N(CCN2C)C(=O)OC(C)(C)C)N1 | 5 |
[OH:1][CH2:2][C:3]([NH:6][C:7]([C:9]1[C:10]2[CH2:11][C@H:12]3[CH2:24][C@H:13]3[C:14]=2[N:15]([C:17]2[CH:22]=[N:21][C:20](Br)=[CH:19][N:18]=2)[N:16]=1)=[O:8])([CH3:5])[CH3:4].[CH2:25]([Zn]CC)[CH3:26]>C1COCC1.CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[OH:1][CH2:2][C:3]([NH:6][C:7]([C:9]1[C:10]2[C... | 2 |
[ClH:1].O1CCOCC1.C(OC([N:15]1[CH2:20][CH2:19][N:18]([C:21]2[S:22][CH:23]=[C:24]([C:26]([O:28][CH3:29])=[O:27])[N:25]=2)[CH:17]([CH2:30][O:31][C:32]2[CH:33]=[N:34][CH:35]=[CH:36][CH:37]=2)[CH2:16]1)=O)(C)(C)C>CO>[ClH:1].[ClH:1].[N:34]1[CH:35]=[CH:36][CH:37]=[C:32]([O:31][CH2:30][CH:17]2[CH2:16][NH:15][CH2:20][CH2:19][N:... | 1 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:11]=[C:12]([C:16]2[CH:21]=[C:20]([CH:22]=[CH2:23])[CH:19]=[C:18]([CH2:24][O:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[CH2:32][C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[CH:17]=2)[CH:13]=[CH:14][CH:15]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].B1C2CCCC1CCC2.[OH-:49].... | 2 |
ClC=1C=C(CN2CCN(CC2)C(=O)C(C(C)C)NC(=O)OC(C)(C)C)C=CC1Cl>>ClC=1C=C(CN2CCN(CC2)C(=O)C(C(C)C)N)C=CC1Cl | 5 |
BrCC(=O)N.C1(=CC=CC=C1)S(=O)(=O)C=1C=CC(=C(C1)S(=O)(=O)NC1CCNCC1)C(F)(F)F>>C1(=CC=CC=C1)S(=O)(=O)C=1C=CC(=C(C1)S(=O)(=O)NC1CCN(CC1)CC(=O)N)C(F)(F)F | 5 |
[C:1]([C:4]1[C:5]([CH:15]2[CH2:18][CH2:17][CH2:16]2)=[CH:6][C:7]([CH3:14])=[C:8]([CH:13]=1)[C:9]([O:11][CH3:12])=[O:10])(=O)[NH2:2].COC(OC)[N:22]([CH3:24])C.[NH2:27]N>C(O)(=O)C>[CH:15]1([C:5]2[C:4]([C:1]3[NH:22][CH:24]=[N:27][N:2]=3)=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[C:7]([CH3:14])[CH:6]=2)[CH2:18][CH2:17][CH... | 1 |
C(C1=CC=CC=C1)[C@@H]1CN(CCN1C(=O)C1=C(N(C(=C1)C)C1=CC=CC=C1)C1=CC(=CC=C1)OCC1=CC=CC=C1)C(=O)OC(C)(C)C>CO[H].[HH].[Pd]>C(C1=CC=CC=C1)[C@@H]1CN(CCN1C(=O)C1=C(N(C(=C1)C)C1=CC=CC=C1)C1=CC(=CC=C1)O)C(=O)OC(C)(C)C | 3 |
FC(C=1C=C(C(=O)Cl)C=C(C1)C(F)(F)F)(F)F.C(C)(C)OC(=O)N1C(CC(CC1CC)NC1=NN(C=N1)C)CC>c1ccncc1>C(C)(C)OC(=O)N1C(CC(CC1CC)N(C1=NN(C=N1)C)C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O)CC | 3 |
BrC1=CC=C(C=C1)C=1C(=CC=CC1)O>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>CC1(OB(OC1(C)C)C1=CC=C(C=C1)C=1C(=CC=CC1)O)C | 3 |
[Cl:1][C:2]1[CH:8]=[C:7]([Br:9])[CH:6]=[CH:5][C:3]=1[NH2:4].[Li+].C[Si]([N-][Si](C)(C)C)(C)C.Cl[C:21]1[C:26]([C:27]([OH:29])=[O:28])=[CH:25][N:24]=[C:23]([Cl:30])[CH:22]=1>C1COCC1>[Br:9][C:7]1[CH:6]=[CH:5][C:3]([NH:4][C:21]2[C:26]([C:27]([OH:29])=[O:28])=[CH:25][N:24]=[C:23]([Cl:30])[CH:22]=2)=[C:2]([Cl:1])[CH:8]=1 | 1 |
C1(=CC=CC=C1)C=O.NC1=C(C#N)C=CC=C1>>C(C1=CC=CC=C1)NC1=C(C#N)C=CC=C1 | 5 |
[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][C:10]([F:16])=[C:11](F)[C:12]=3[F:14])[C:7](=[O:17])[C:6]([C:18]([OH:20])=[O:19])=[CH:5]2)[CH2:3][CH2:2]1.Cl.[F:22][C:23]([F:33])([F:32])[C:24]([NH:26][CH2:27][CH:28]1[CH2:31][NH:30][CH2:29]1)=[O:25].N1C=CC=CC=1>C(N(CC)CC)C>[F:33][C:23]([F:22])([F:32])[C:24]([NH:26][CH2:27][CH:28]1[CH... | 1 |
C([O:8][C@@H:9]1[C@@H:14]([O:15]CC2C=CC=CC=2)[C@@H:13]([O:23]CC2C=CC=CC=2)[C@@H:12]([CH2:31][O:32]CC2C=CC=CC=2)[O:11][C@:10]21[C:47]1[C:42](=[CH:43][C:44]([F:57])=[C:45]([CH2:48][C:49]3[CH:54]=[CH:53][C:52]([CH2:55][CH3:56])=[CH:51][CH:50]=3)[CH:46]=1)[CH2:41][O:40]2)C1C=CC=CC=1>C(OCC)(=O)C.CO.Cl.[C].[Pd]>[CH2:55]([C:5... | 2 |
O1CCC(CCN2C3=NC([Sn](C)(C)C)=CN=C3NCC2=O)CC1.[NH:24]1[C:28]2=[N:29][CH:30]=[C:31]([C:33]3[N:38]=[C:37]4[N:39]([CH2:44][CH2:45][CH:46]5[CH2:51][CH2:50][O:49][CH2:48][CH2:47]5)[C:40](=[O:43])[CH2:41][NH:42][C:36]4=[N:35][CH:34]=3)[CH:32]=[C:27]2[CH:26]=[CH:25]1.BrC1C=C2C=CNC2=NC=1.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1... | 1 |
[CH3:1][CH:2]([N:19]1[CH:23]=[C:22]([C:24]2[C:25]3[CH:32]=[CH:31][NH:30][C:26]=3[N:27]=[CH:28][N:29]=2)[CH:21]=[N:20]1)[CH2:3][N:4]1[CH2:9][CH2:8][N:7]([S:10]([C:13]2[CH:17]=[CH:16][N:15]([CH3:18])[N:14]=2)(=[O:12])=[O:11])[CH2:6][CH2:5]1.[P:33](=[O:37])([OH:36])([OH:35])[OH:34]>C(O)(C)C>[P:33](=[O:34])([OH:37])([OH:36... | 1 |
FC1=C(C=CC=C1F)[N+](=O)[O-].ClC1=C(NC=CC1=O)N=C(C1=CC=CC=C1)C1=CC=CC=C1>>ClC=1C(=NC=CC1OC1=C(C=C(C=C1)[N+](=O)[O-])F)N=C(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
N(N)C1=C2C=C(C(=NC2=CC=N1)C1=CC=C(C=C1)CN1CCC(CC1)C1=NNC(=N1)C1=NC=CC=C1)C1=CC=CC=C1>>C1(=CC=CC=C1)C=1C(=NC=2C=CN3C(C2C1)=NN=C3)C3=CC=C(C=C3)CN3CCC(CC3)C3=NN=C(N3)C3=NC=CC=C3 | 5 |
C(C1=CC=CC=C1)N1C=CC2=CC(=CC=C12)NC1=C(C(=O)O)C=C(C=N1)C1CC1>>C(C1=CC=CC=C1)N1C=CC2=CC(=CC=C12)NC1=C(C(=O)NS(=O)(=O)C)C=C(C=N1)C1CC1 | 5 |
[C:1]([O:4][C@H:5]1[CH2:22][CH2:21][C@@:20]2([CH3:23])[C@@H:7]([CH2:8][CH2:9][C@:10]3([CH3:34])[C@@H:19]2[CH2:18][CH2:17][C@H:16]2[C@@:11]3([CH3:33])[CH2:12][CH2:13][C@@:14]3([C:30](O)=[O:31])[CH2:26][CH2:25][C@@H:24]([C:27]([CH3:29])=[CH2:28])[C@@H:15]32)[C:6]1([CH3:36])[CH3:35])(=[O:3])[CH3:2].O1C=CC=C1Cl.[C:43]1([C:... | 2 |
CS(C)=[O:3].[N:5]1([CH2:10][C@@H:11]2[CH2:15][CH2:14][CH2:13][N:12]2[C:16]([C:18]2[CH:23]=[CH:22][C:21]([C:24]3[S:28][C:27]([C:29]#[N:30])=[CH:26][CH:25]=3)=[CH:20][CH:19]=2)=[O:17])[CH2:9][CH2:8][CH2:7][CH2:6]1.C([O-])([O-])=O.[K+].[K+].OO>CO.O>[NH3:5].[CH3:16][OH:17].[N:5]1([CH2:10][C@@H:11]2[CH2:15][CH2:14][CH2:13][... | 2 |
[CH2:1]([N:8]1[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=2[C:12](=O)[CH2:11][C:10]2[CH:20]=[CH:21][CH:22]=[CH:23][C:9]1=2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.F.S(F)(F)(F)[F:26]>C(Cl)Cl>[CH2:1]([N:8]1[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=2[C:12]([F:26])=[CH:11][C:10]2[CH:20]=[CH:21][CH:22]=[CH:23][C:9]1=2)[C... | 1 |
ClC1=CC(=C(C=2N=C(SC21)C)N2C[C@H](CC2)NC(OC(C)(C)C)=O)[N+](=O)[O-]>O.C1CCCO1.CO[H].[Fe].[OH-].[Na+].[Cl-].[NH4+]>NC=1C=C(C2=C(N=C(S2)C)C1N1C[C@H](CC1)NC(OC(C)(C)C)=O)Cl | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C(=C(N)C=C1)C)C.CC1=C(CO)C=CC=C1>C1(=CC=CC=C1)C.ClCCl.CCN(CC)CC>COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C(=C(C=C1)NC(OCC1=C(C=CC=C1)C)=O)C)C | 3 |
[C:1]([O:4][CH2:5][C:6]([CH3:27])([CH3:26])[C@H:7]([NH:18][C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[C:8]([O:10]CC1C=CC=CC=1)=[O:9])(=[O:3])[CH3:2]>CO.[Pd]>[C:1]([O:4][CH2:5][C:6]([CH3:27])([CH3:26])[C@H:7]([NH:18][C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[C:8]([OH:10])=[O:9])(=[O:3])[CH3:2] | 1 |
COC=1C=C2C(=C(NC2=CC1OC)C(=O)OC)C1=CC(=C(C=C1)OC)OC>O.CO[H].Cl.[OH-].[Na+]>COC=1C=C2C(=C(NC2=CC1OC)C(=O)O)C1=CC(=C(C=C1)OC)OC | 3 |
[S:1]1[CH:5]=[CH:4][C:3](B(O)O)=[CH:2]1.[F:9][C:10]1[CH:19]=[CH:18][C:13]([C:14]([NH:16][NH2:17])=O)=[CH:12][CH:11]=1.Cl.C(N(CC)CC)C.[C:28]([NH:36][NH2:37])(=O)[C:29]1[CH:34]=[CH:33]C=CC=1.C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH3:49][N:50]1[C:54]([CH2:55][OH:56])=[N:53][CH:52]=[N:51]1.N1C=CC=CC=1CO>C(N(CC)CC)C>[CH3:49][N:50]1[C... | 1 |
[CH:1]1[C:17]2[C:16]3[C:15]4[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=4[NH:9][C:8]=3[C:7]([OH:18])=[CH:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.C1C2C3SC4C=CC=CC=4C=3C([OH:36])=CC=2C=CC=1>>[CH:1]1[C:17]2[C:16]3[C:15]4[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=4[NH:9][C:8]=3[C:7](=[O:18])[C:6](=[O:36])[C:5]=2[CH:4]=[CH:3][CH:2]=1 | 2 |
ON=C(CCCNC(OC(C)(C)C)=O)C1=CC=CC=C1>CCO[H].[HH].[Pd]>NC(CCCNC(OC(C)(C)C)=O)C1=CC=CC=C1 | 3 |
ClC(=O)OCC1=CC=CC=C1.Cl.C(C)OC(CCN)=O>ClCCl.CCN(CC)CC>C(C)OC(CCNC(=O)OCC1=CC=CC=C1)=O | 3 |
C(C1=CC=CC=C1)Cl.BrC=1C=CC=2NC3=CC=CC=C3C2C1>>C(C1=CC=CC=C1)N1C2=CC=CC=C2C=2C=C(C=CC12)Br | 5 |
CB1OB(OB(O1)C)C.NC1=CC2=C(N(C(C(O2)(C)C)=O)C2=CC=C(C=C2)F)C(=C1)Br>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>NC1=CC2=C(N(C(C(O2)(C)C)=O)C2=CC=C(C=C2)F)C(=C1)C | 3 |
C(O[C:5]12[CH2:14][CH:9]3[CH2:10][CH:11]([CH2:13][C:7]([O:15]CC=C)([CH2:8]3)[CH2:6]1)[CH2:12]2)C=C.ClC1C=CC=C(C(OO)=[O:27])C=1>ClCCl>[C:7]12([OH:15])[CH2:8][CH:9]3[CH2:10][CH:11]([CH2:12][CH:5]([CH2:14]3)[CH:6]1[OH:27])[CH2:13]2 | 1 |
C1(=CC=CC2=CC=CC=C12)O.ClCCO>>C1(=CC=CC2=CC=CC=C12)OCCO | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:14](O)[C:15]([O:17][CH2:18][CH3:19])=[O:16])[CH:5]=[CH:6][C:7]=1[CH:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]1.S(Cl)([Cl:23])=O>>[Cl:23][CH:14]([C:4]1[CH:5]=[CH:6][C:7]([CH:8]2[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]2)=[C:2]([Cl:1])[CH:3]=1)[C:15]([O:17][CH2:18][CH3:19])=[O:16] | 1 |
[CH2:1]([O:8][C:9]1[CH:18]=[C:17]2[C:12]([CH:13]=[C:14]([CH:19]=[O:20])[CH:15]=[N:16]2)=[CH:11][CH:10]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].[CH3:21][Mg]I>C1COCC1>[CH2:1]([O:8][C:9]1[CH:18]=[C:17]2[C:12]([CH:13]=[C:14]([CH:19]([OH:20])[CH3:21])[CH:15]=[N:16]2)=[CH:11][CH:10]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]... | 1 |
COC(C1=C(C=CC=C1C)Br)=O.CC1(COB(OC1)C1=CC(=C(N(CC(C)C)CC(C)C)C=C1)[N+](=O)[O-])C>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(C(C)C)N(C1=C(C=C(C=C1)C=1C(=C(C=CC1)C)C(=O)OC)[N+](=O)[O-])... | 3 |
C(CC)N.FC=1C=C(CN2C(C(=CC=C2)C(=O)N[C@H](CC(=O)O)C=2SC(=CC2)C2=CNC3=NC=CC=C32)=O)C=CC1F>N(C)(C)C=O.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(CC)NC(=O)C[C@H](C=1SC(=CC1)C1=CNC2=NC=CC=C21)NC(=O)C=2C(N(C=CC2)CC2=CC(=C(C=C2)F)F)=O | 3 |
CC(CCC)O.ClC1=NC=CC(=N1)N1N=C(C2=C1SC(=C2)Cl)NC.NC=1C(=CC(=C(C1)NC(C=C)=O)N(C)CCN(C)C)OC>O.C1(=CC=C(C=C1)S(=O)(=O)O)C>CN(CCN(C1=C(C=C(C(=C1)OC)NC1=NC=CC(=N1)N1N=C(C2=C1SC=C2)NC)NC(C=C)=O)C)C | 3 |
[Br-].C[Mg+].ClC=1C=C2C=C(C(NC2=CC1F)=O)\C=N\[S@](=O)C(C)(C)C>ClCCl>ClC=1C=C2C=C(C(NC2=CC1F)=O)[C@@H](C)N[S@](=O)C(C)(C)C | 3 |
[Br-].[N+](=O)([O-])C1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1.C(C1=CC=CC=C1)OC1=NC(=CC=C1C=1C=C(C(=C(C=O)C1)OC)C(C)(C)C)C>>C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=CC(=C(C(=C1)C=CC1=CC=C(C=C1)[N+](=O)[O-])OC)C(C)(C)C)C | 5 |
ClC1=CC=C(CN)C=C1.C(C)(=O)C=1C=CC(=C(C(=O)O)C1)C(C1=CC=C(C=C1)Cl)=O>C1CCCO1.ClS(Cl)=O.C(C)(C)N(C(C)C)CC>C(C)(=O)C1=CC=C2C(N(C(C2=C1)=O)CC1=CC=C(C=C1)Cl)(O)C1=CC=C(C=C1)Cl | 3 |
C(C)(C)N=C=O.O1C(CCCC1)ONC(CC1(CCNCCS1(=O)=O)C=1SC(=CC1)C1=CC=C(C=C1)CC)=O>C(Cl)(Cl)(Cl)[H]>ONC(CC1(CCN(CCS1(=O)=O)C(NC(C)C)=O)C=1SC(=CC1)C1=CC=C(C=C1)CC)=O | 3 |
CNC1=NC=CC(=N1)C1=CN(C2=NC=C(C=C21)C=2C=C(C=C(C2)C(F)(F)F)NC(C=C)=O)S(=O)(=O)C2=CC=C(C)C=C2>O1CCOCC1.[OH-].[Li+]>CNC1=NC=CC(=N1)C1=CNC2=NC=C(C=C21)C=2C=C(C=C(C2)C(F)(F)F)NC(C=C)=O | 3 |
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([F:11])[C:3]=1[C:4](Cl)=[O:5].[Br:12][C:13]1[CH:14]=[C:15]2[C:23](=[CH:24][CH:25]=1)[NH:22][C:21]1[CH:20]([NH2:26])[CH2:19][CH2:18][CH2:17][C:16]2=1>>[Br:12][C:13]1[CH:14]=[C:15]2[C:23](=[CH:24][CH:25]=1)[NH:22][C:21]1[CH:20]([NH:26][C:4](=[O:5])[C:3]3[C:2]([F:1])=[CH:10][CH:9]=[CH... | 1 |
FC(F)(F)C(O)=O.CC(C)(OC([N:14]1[CH2:19][CH2:18][CH:17]([N:20]([CH3:30])[C:21]2[C:26]([N+:27]([O-:29])=[O:28])=[CH:25][CH:24]=[CH:23][N:22]=2)[CH2:16][CH2:15]1)=O)C.[OH-].[Na+]>C(Cl)Cl>[CH3:30][N:20]([CH:17]1[CH2:18][CH2:19][NH:14][CH2:15][CH2:16]1)[C:21]1[C:26]([N+:27]([O-:29])=[O:28])=[CH:25][CH:24]=[CH:23][N:22]=1 | 1 |
ClC1=C(C=CC(=C1)Cl)C1N(C(C2=CC=CC=C2C1C(=O)OCC)=O)C1C(CCCC1)NS(=O)(=O)C>C1CCCO1.CO[H].[OH-].[Na+]>ClC1=C(C=CC(=C1)Cl)C1N(C(C2=CC=CC=C2C1C(=O)O)=O)C1C(CCCC1)NS(=O)(=O)C | 3 |
[N+](=O)([O-])C1=CC=C(C(=O)OCCCC[C@@H](C)O)C=C1>>[N+](=O)([O-])C1=CC=C(C(=O)OCCCC[C@@H](C)O[N+](=O)[O-])C=C1 | 5 |
[NH2:1][C:2]1[CH:30]=[CH:29][C:5]([O:6][C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]([N:16]3[CH2:21][CH2:20][CH:19]([N:22]4[CH2:27][CH2:26][N:25]([CH3:28])[CH2:24][CH2:23]4)[CH2:18][CH2:17]3)=[O:15])[CH:8]=2)=[C:4]([F:31])[CH:3]=1.[F:32][C:33]1[CH:38]=[CH:37][C:36]([CH2:39][C:40]([N:42]=[C:43]=[O:44])=[O:41])=[CH:35]... | 1 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)Cl.ClC=1C=C(C=CC1)[C@H]1CCC(N([C@@H]1C1=CC=C(C=C1)Cl)[C@H](CO)CC)=O>N(C)(C)C=O.c1cnc[nH]1>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@H](CC)N1C(CC[C@@H]([C@H]1C1=CC=C(C=C1)Cl)C1=CC(=CC=C1)Cl)=O | 3 |
[Cl:1][C:2]1[N:3]=[N:4][CH:5]=[C:6]([O:9][CH3:10])[C:7]=1[OH:8].[H-].[Na+].[CH2:13](Br)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>CN(C=O)C.[I-].C([N+](CCCC)(CCCC)CCCC)CCC.O>[CH2:13]([N:4]1[CH:5]=[C:6]([O:9][CH3:10])[C:7](=[O:8])[C:2]([Cl:1])=[N:3]1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
C1(CCCCC1)CC(=O)OC>O.CO[H].O.NN>C1(CCCCC1)CC(=O)NN | 3 |
[NH2:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][CH2:8][N:9]2C(=O)C(F)(F)F)=[CH:4][CH:3]=1.[CH3:18][C:19]1[N:27]=[C:26]([C:28]2[CH:33]=[CH:32][C:31]([F:34])=[C:30]([F:35])[CH:29]=2)[CH:25]=[CH:24][C:20]=1[C:21](O)=[O:22].Cl>>[F:35][C:30]1[CH:29]=[C:28]([C:26]2[CH:25]=[CH:24][C:20]([C:21]([NH:1][C:2]3[CH:11]=[C:10]4[C:5... | 1 |
IC=1C=NNC1.C1(CC1)B(O)O>>C1(CC1)N1N=CC(=C1)I | 5 |
ClC=1C=C(C=CC1Cl)C(CN1CCN(CC1)C(=O)OC(C)(C)C)=O>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+].C(C)(=O)[O-].[NH4+]>NC(CN1CCN(CC1)C(=O)OC(C)(C)C)C1=CC(=C(C=C1)Cl)Cl | 3 |
CC=1N=C2N(N=C(C=C2C)B2OC(C(O2)(C)C)(C)C)C1.BrC=1SC2=C(N1)SC(=C2)Br>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>BrC1=CC2=C(N=C(S2)C=2C=C(C=3N(N2)C=C(N3)C)C)S1 | 3 |
Cl[CH2:2][CH2:3][CH2:4][CH2:5][C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:7].[C:14]1(=[O:24])[NH:18][C:17](=[O:19])[C:16]2=[CH:20][CH:21]=[CH:22][CH:23]=[C:15]12.C(=O)([O-])[O-].[K+].[K+].C(OC(C)C)(C)C>CN(C)C=O.O>[O:7]=[C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[CH2:5][CH2:4][CH2:3][CH2:2][N:18]1[C:1... | 2 |
C([N:4]1[CH2:13][CH2:12][C:11]2[C:6](=[C:7]([S:15](=[O:18])(=[O:17])[NH2:16])[C:8]([Cl:14])=[CH:9][CH:10]=2)[CH2:5]1)(=O)C>Cl>[ClH:14].[Cl:14][C:8]1[C:7]([S:15](=[O:18])(=[O:17])[NH2:16])=[C:6]2[C:11]([CH2:12][CH2:13][NH:4][CH2:5]2)=[CH:10][CH:9]=1 | 1 |
[OH:1][C:2]1[C:3]([C:12]([O:14][CH3:15])=[O:13])=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2.[H-].[Na+].[CH3:18][O:19][CH2:20]Cl.O>C1COCC1>[CH3:18][O:19][CH2:20][O:1][C:2]1[C:3]([C:12]([O:14][CH3:15])=[O:13])=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2 | 1 |
OCC1=C(C=C(C=C1)C)OS(=O)(=O)C>>ICC1=C(C=C(C=C1)C)OS(=O)(=O)C | 5 |
[C:1]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)#[C:2][CH2:3][CH2:4][CH2:5][CH3:6].[N+:13]([CH:16](C(OC)=O)[C:17]([O:19][CH3:20])=[O:18])([O-])=[O:14].F[P-](F)(F)(F)(F)F.C([N+]1C=CN(C)C=1)CCC>C1(C)C=CC=CC=1>[CH2:3]([C:2]1[C:16]([C:17]([O:19][CH3:20])=[O:18])=[N:13][O:14][C:1]=1[C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12... | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7](F)=[CH:6][C:5]=1[CH3:11])([O-:3])=[O:2].[NH:12]([CH2:16][CH2:17][OH:18])[CH2:13][CH2:14][OH:15]>CS(C)=O>[CH3:11][C:5]1[CH:6]=[C:7]([N:12]([CH2:16][CH2:17][OH:18])[CH2:13][CH2:14][OH:15])[CH:8]=[CH:9][C:4]=1[N+:1]([O-:3])=[O:2] | 1 |
[N+](=O)([O-])C=1C=C(C=O)C=CC1.O=C(C(=O)OCC)CC(=O)OCC.C(C)OC(C=C(N)CC)=O>CCO[H]>C(C)OC(=O)C1=C(NC(=C(C1C1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC)C(=O)OCC)CC | 3 |
[O:1]=[C:2]1[CH:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH2:6][CH2:5][CH2:4][N:3]1[CH2:14][C:15]([OH:17])=O.Br.[F:19][C:20]([F:31])([F:30])[C:21]1[CH:22]=[C:23]2[C:27](=[CH:28][CH:29]=1)[CH2:26][NH:25][CH2:24]2.C(N=C=NCCCN(C)C)C>ClCCl>[O:17]=[C:15]([N:25]1[CH2:24][C:23]2[C:27](=[CH:28][CH:29]=[C:21]([C:20]([F:... | 1 |
ClC1=CC=C(C=C1)[N+](=O)[O-].C(C)(C)(C)C1=CC=C(C=C1)O>N(C)(C)C=O.[H-].[Na+]>C(C)(C)(C)C1=CC=C(OC2=CC=C(C=C2)[N+](=O)[O-])C=C1 | 3 |
[Si]([O:18][C:19]1[CH:54]=[CH:53][C:22]([O:23][CH2:24][C@@H:25]([OH:52])[CH2:26][NH:27][CH2:28][CH2:29][C:30]2[CH:51]=[CH:50][C:33]([NH:34][C:35]3[C:40]([NH:41][C:42](=[O:49])[C:43]4[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=4)=[CH:39][CH:38]=[CH:37][N:36]=3)=[CH:32][CH:31]=2)=[CH:21][CH:20]=1)(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=... | 1 |
COCOC1=NN(C=C1/C=C/C=1N=C(SC1C)N1CCN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1>CO[H].Cl>OC1=NN(C=C1/C=C/C=1N=C(SC1C)N1CCN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1 | 3 |
[O:1]=[CH:2][C:3]1[CH:11]=[CH:10][CH:9]=[C:6]([O:7][CH3:8])[C:4]=1[OH:5].[CH3:12][CH:13]([Si:15](Cl)([CH:19]([CH3:21])[CH3:20])[CH:16]([CH3:18])[CH3:17])[CH3:14].N1C=CN=C1>CCOC(C)=O>[CH3:8][O:7][C:6]1[C:4]([O:5][Si:15]([CH:19]([CH3:21])[CH3:20])([CH:16]([CH3:18])[CH3:17])[CH:13]([CH3:14])[CH3:12])=[C:3]([CH:11]=[CH:10]... | 1 |
CN(\C=C(/C(=O)OCC)\C(=O)C=1SC2=C(N1)CCCC2)C>>S1C(=NC2=C1CCCC2)C2=NNC=C2C(=O)OCC | 5 |
Br[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[O:11][CH3:12].[CH3:13][N:14]1[CH:18]=[C:17](B2OC(C)(C)C(C)(C)O2)[CH:16]=[N:15]1.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>O1CCOCC1>[CH3:12][O:11][C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][C:2]=1[C:17]1[CH:16]=[N:15][N:14]([CH3:13])[CH:18]=1)[C:6]([OH:8])=[O:7] | 2 |
BrCC(=O)OCC.ClC1=CC=NC=C1>>[Br-].C(=O)(OCC)C[N+]1=CC=C(C=C1)Cl | 3 |
ClC=1C(=NC=CN1)CNC(=O)C1(CCOCC1)C(=O)OCC>CC#N.P(Cl)(Cl)(Cl)(Cl)Cl.C(O)([O-])=O.[Na+]>ClC=1C=2N(C=CN1)C(=NC2)C2(CCOCC2)C(=O)OCC | 3 |
[F:1][C:2]1[C:10]([F:11])=[CH:9][C:5]([C:6]([OH:8])=O)=[C:4]([NH:12][CH2:13][CH:14]([CH3:16])[CH3:15])[CH:3]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.Cl.[CH3:48][C:49]([NH2:55])([CH:52]([CH3:54])[CH3:53])[C:50]#[CH:51]>C(Cl)Cl>[CH3:48][C:49]([NH:55][C:6](=[O:8])[C:5]1[CH:9]=[C:10]([F:11])[C:2]([F:1])=[CH:... | 2 |
FC=1C=C(CN2C(=NC3=NC=C(C=C32)N3C=CC=2N=CN=C(C23)OC)SC(C)C)C=C(C1)F>CC#N.C[O-].[Na+].ClC=1C=C(C(=O)OO)C=CC1>FC=1C=C(CN2C(=NC3=NC=C(C=C32)N3C=CC=2N=CN=C(C23)OC)OC)C=C(C1)F | 3 |
[NH2:1][CH2:2][CH:3]1[CH2:8][CH2:7][N:6]([C:9]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[O:10])[CH2:5][CH2:4]1.Cl[C:20]1[N:25]=[CH:24][C:23]([F:26])=[CH:22][N:21]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.C(OCC)(=O)C>[F:26][C:23]1[CH:22]=[N:21][C:20]([NH:1][CH2:2][CH:3]2[CH2:8][CH2:7][N:6]([C:9]([O:11... | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)B(O)O.COC([C@H](CC1=CC=C(C=C1)Br)NC(=O)C=1C=C(C=CC1O)C1=CC=C(C=C1)C(F)(F)F)=O>>COC([C@H](CC1=CC=C(C=C1)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C=1C=C(C=CC1O)C1=CC=C(C=C1)C(F)(F)F)=O | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:14]3[CH:15]=[C:16]([OH:19])[CH:17]=[CH:18][C:13]=3[N:12]3[C:20]([CH3:23])=[N:21][N:22]=[C:11]3[C@H:10]([CH2:24][C:25]([NH:27][CH2:28][CH3:29])=[O:26])[N:9]=2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].CS([O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][O:46][CH2:47][CH2:48][NH:49][C:5... | 2 |
[C:1]1([C@H:7]2[CH2:12][CH2:11][C@H:10]([CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Al+3].[Cl-].[Cl-].[Cl-].C(Cl)(=O)[C:24]([Cl:26])=[O:25].[Cl-].[Ca+2].[Cl-]>ClCCl.O>[Cl:26][C:24]([C:4]1[CH:5]=[CH:6][C:1]([C@H:7]2[CH2:8][CH2:9][C@H:10]([CH2:13][C:14]([O:16][CH2:17]... | 1 |
[C:1]1([CH:7]([O:14][C:15]([C:17]2[N:22]3[C:23](=[O:26])[C@@H:24](N)[C@H:21]3[S:20][CH2:19][C:18]=2[S:27][CH:28]([C:35]([C:48]2[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=2)([C:42]2[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=2)[C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)[S:29][C:30]2[N:31]=[N:32][NH:33][CH:34]=2)=[O:16])[C:8]2[... | 1 |
O(C1=CC=CC=C1)C1=CC=C(CN)C=C1>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC=1C=CC(=C(C(=O)NCC2=CC=C(C=C2)OC2=CC=CC=C2)C1)O | 3 |
BrC1=CC=C(C#N)C=C1.NC=1C(=NN(C1C(=O)OCC)CC1=CC=C(C=C1)OC)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1>C(#N)C1=CC=C(C=C1)NC=1C(=NN(C1C(=O)OCC)CC1=CC=C(C=C1)OC)C | 3 |
[N:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11](OC)=[O:12])=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3].O.[OH-].[Na+]>C1COCC1>[N:1]1[C:10]2[C:5](=[CH:6][C:7]([CH2:11][OH:12])=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1 | 1 |
[C:1]([N:9]=[C:10]=[S:11])(=O)[C:2]1C=CC=CC=1.[NH2:12][C:13]1[C:14]([CH3:23])=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]=[CH:18][CH:17]=[N:16]2.Cl.C(N)C[NH2:27]>CC(C)=O.C1(C)C=CC=CC=1>[NH2:27][CH2:2][CH2:1][NH:9][C:10](=[S:11])[NH:12][C:13]1[C:14]([CH3:23])=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]=[CH:18][CH:17]=[N:16]2 | 1 |
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