File: canonSmiles.past_problems.smi

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file content (20 lines) | stat: -rw-r--r-- 1,344 bytes parent folder | download | duplicates (10)
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CC(C)(COB1OCC(C)(C)CO1)COB2OCC(C)(C)CO2	432
C1=CC2=C3N=C4C5=CC=CC=C5C6=[N+]4[Cu]78N3C(=C2C=C1)N=C9C%10=CC=CC=C%10C(=[N+]79)N=C%11N8C(=N6)C%12=CC=CC=C%11%12	15976
N1C2=C(C3=CC=CC=C3)C4=NC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C1C=C2)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=C4	18506
OC(=O)[CH](S[Bi]1S[CH]([CH](S1)C(O)=O)C(O)=O)[CH](S[Bi]2S[CH]([CH](S2)C(O)=O)C(O)=O)C(O)=O	22306
C1CC[N+]2(C1)CCCC[N+]3(CCCC3)CC2	28393
C(CN1CCOCC1)OCCN2CCOCC2	28749
CS([O-])(=O)=O.C(CC[S+]1CCCC1)C[S+]2CCCC2	39089
O=C1CN[Co]23(NCC(=O)O2)(NCC(=O)O3)OC(=O)CN[Co]45(NCC(=O)O4)(NCC(=O)O5)O1	40705
C1=CC2=C3N=C4C5=CC=CC=C5C6=[N+]4[Co]78N3C(=C2C=C1)N=C9C%10=CC=CC=C%10C(=[N+]79)N=C%11N8C(=N6)C%12=CC=CC=C%11%12	40711
C1=CC2=C3N=C4C5=CC=CC=C5C6=[N+]4[Ni]78N3C(=C2C=C1)N=C9C%10=CC=CC=C%10C(=[N+]79)N=C%11N8C(=N6)C%12=CC=CC=C%11%12	40712
CN(C)[P]1(=N[P](=N[P](=N1)(Cl)N(C)C)(Cl)N(C)C)Cl	42147
CN(C)P1(=NP(=NP(=N1)(N)N)(N(C)C)N(C)C)N(C)C	42150
ClP1(=NP(=NP(=N1)(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3)Cl	42152
CNP1(=NP(=NP(=N1)(NC)NC)(C2=CC=CC=C2)C3=CC=CC=C3)NC	42154
CN(C)P1(=NP(=NP(=N1)(N(C)C)N(C)C)(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C	42156
C1=CC2=C3N=C4C5=CC=CC=C5C6=[N+]4[Cu]78N3C(=C2C=C1)N=C9C%10=CC=CC=C%10C(=[N+]79)N=C%11N8C(=N6)C%12=CC=CC=C%11%12	43628
C1COP(O1)OCCOP2OCCO2	44601
C(CCN1CCCCC1)CCN2CCCCC2	46588
O=C1N(C(=O)C2=CC=CC=C12)C(=O)C3=C(C=CC=C3)C(=O)N4C(=O)C5=CC=CC=C5C4=O	55162