Cn1nnc(-c2ccc(Cn3ccc(=[Br+])cc3)cc2)n1 196 Strange valence at Br CC1=C(CC(O)=NC2CCS(=O)(=O)C2)C(=C2C=CC(=[F+])C=C2)N[N-]1 423 Strange valence at F C/C1=C/C(O)CC(=O)Cc2nc(co2)C(O)=NC(C)C(=O)OC(C(C)C)C(C)/C=C/C(O)=NC/C=C/1 27 SMILES ERROR - Inconsistent EZ stereo information CC1(C)CC([N+](C)(C)C)CC(C)(C)[NH+]1[O-] 66 Strange valence at N CCS(=O)(=O)c1ccc2c(c1)[N-]C(=CC(O)=C1C=CC(=[F+])C=C1)C(=O)O2 361 Strange valence at F O=S(=O)(Cc1ccccc1F)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1 444 Strange valence at F CCN(CC)c1ccc2cc(C3=[C+]C(C)O[B-](F)(F)O3)c(=O)oc2c1 231 Strange valence at C NN=C(O)CSC(=S)[S]1CCCC1 115 Strange valence at S CN1C(=C2C=CC(=[Cl+])C=C2)Sc2ccccc21 186 Strange valence at Cl Cc1c(S(=O)(=O)c2ccc(F)cc2)c([N-]C(O)=C2C=CC(=[F+])C=C2)n(C(C)C)c1C 124 Strange valence at F COCCCN1CCS(=O)(=O)C2=C(F)C(=[F+])C(=C(O)[N-]c3ccc(Br)cc3)C(F)=C21 196 Strange valence at F CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 349 Strange valence at F O=S1(=O)CCN(Cc2ccccc2)C2=C(F)C(=C(O)[N-]c3ccc(Br)cc3)C(=[F+])C(F)=C21 412 Strange valence at F COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(Cc2cccnc2)CCS3(=O)=O)cc1 233 Strange valence at F COc1ccc(-c2cc(=NC(O)=C3C=CC(=[F+])C=C3)n(C3CCS(=O)(=O)C3)[n-]2)cc1 249 Strange valence at F COc1cc(/N=C/c2c(CO[P](=O)(=O)O)cnc(C)c2O)cc(OC)c1OC 273 Strange valence at P Cc1ncc(CO[P](=O)(=O)O)c(/C=N/N=C(O)c2ccccc2Br)c1O 295 Strange valence at P Fc1ccc(C2=CC(=C3C=CC(=[F+])C=C3)OC(c3ccc(F)cc3)=C2)cc1 14 Strange valence at F Brc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Br+])C=C3)O2)cc1 15 Strange valence at Br COc1ccc(N=C([O-])C2=CC(=[S+]([O-])(O)C3CCS(=O)(=O)C3)C=CC2=[F+])cc1 131 Strange valence at F CC1=C(N=C(O)[NH+]=C2C=CC(=[Br+])C=C2)S[N-]N1C 233 Strange valence at Br CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1)C(=O)CO2 1 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)cc1OC)C(=O)CO2 2 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)c(Cl)c1)C(=O)CO2 4 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(F)(F)F)C(=O)CO2 5 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1OC)C(=O)CO2 6 Strange valence at S CCOC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 7 Strange valence at S CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1cccc(C)c1 8 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N=c1cc(C)o[nH]1)C(=O)CO2 9 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3OC)CC1)C(=O)CO2 10 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCC(C)CC1)C(=O)CO2 11 Strange valence at S CCN(C(=O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21)c1ccccc1 12 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCC1=CCCCC1)C(=O)CO2 13 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCC1)C(=O)CO2 15 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)ccc1OC)C(=O)CO2 16 Strange valence at S CCc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 17 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C(=O)OC)C(=O)CO2 18 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(C)cc1)C(=O)CO2 19 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C(F)(F)F)ccc1Cl)C(=O)CO2 20 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)C)cc1)C(=O)CO2 21 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(OC)cc1)C(=O)CO2 22 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)CO2 23 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(Cl)c1)C(=O)CO2 24 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1C)C(=O)CO2 26 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1)C(=O)CO2 27 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Br)cc1F)C(=O)CO2 28 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Cl)c1)C(=O)CO2 29 Strange valence at S CCOc1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 30 Strange valence at S CCOC(=O)c1ccccc1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 31 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cc(C)cc1C)C(=O)CO2 32 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)ccc1C)C(=O)CO2 33 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1C)C(=O)CO2 34 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1Cl)C(=O)CO2 35 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1C)C(=O)CO2 37 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1F)C(=O)CO2 38 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1F)C(=O)CO2 39 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1ccccc1)C(=O)CO2 40 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)cc1F)C(=O)CO2 41 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1)C(=O)CO2 42 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)c(F)c1)C(=O)CO2 43 Strange valence at S CCc1cccc(N=C(O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)c1 44 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(Cl)c1)C(=O)CO2 45 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)cc(OC)c1)C(=O)CO2 46 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(SC)c1)C(=O)CO2 48 Strange valence at S CCc1cccc(C)c1N=C(O)CN1C(=O)COc2ccc([SH](=O)(O)CC)cc21 49 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Cl)cc1)C(=O)CO2 50 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1C)C(=O)CO2 51 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(Cl)c(OC)cc1OC)C(=O)CO2 52 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Cl)c1C)C(=O)CO2 53 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1)C(=O)CO2 54 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC(C)CCc1ccccc1)C(=O)CO2 55 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Br)c1)C(=O)CO2 56 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1F)C(=O)CO2 57 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCOc3ccc(C)cc31)C(=O)CO2 59 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCCc1ccccc1)C(=O)CO2 60 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)cc1)C(=O)CO2 61 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(Cl)cc1)C(=O)CO2 62 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(C)=O)cc1)C(=O)CO2 63 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1cccc(OC)c1OC)C(=O)CO2 64 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C(=O)CO2 65 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(F)c1)C(=O)CO2 66 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)CO2 67 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)CO2 68 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc3c(c1)OCO3)C(=O)CO2 71 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C)c1C)C(=O)CO2 72 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(C)c1)C(=O)CO2 73 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc3c(c1)OCCO3)C(=O)CO2 74 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(OC)cc3)CC1)C(=O)CO2 75 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(C)ccc1OC)C(=O)CO2 76 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(OC)c(OC)c(OC)c1)C(=O)CO2 77 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCc3ccccc31)C(=O)CO2 78 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(C)C)c1)C(=O)CO2 79 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C#N)c1)C(=O)CO2 80 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(OC)c(OC)c1)C(=O)CO2 82 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1C)C(=O)CO2 83 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1c(C)cccc1Cl)C(=O)CO2 84 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Br)cc1C)C(=O)CO2 85 Strange valence at S CCCCc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 86 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N(C)c1cccc(Cl)c1)C(=O)CO2 87 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(Oc3ccccc3)cc1)C(=O)CO2 88 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(N=C(C)O)cc1)C(=O)CO2 89 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)c(F)c1)C(=O)CO2 90 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(OC)c(F)c1)C(=O)CO2 91 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)c(Cl)c1)C(=O)CO2 93 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(F)cc1Cl)C(=O)CO2 95 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cc(F)ccc1Cl)C(=O)CO2 96 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)CO2 97 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CO2 98 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1Br)C(=O)CO2 99 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccc(F)cc1Cl)C(=O)CO2 100 Strange valence at S Cc1ccc([P-]c2ccc(C)cc2)cc1 60 Strange valence at P Cc1ccc([P-]c2ccc(C)cc2)cc1 61 Strange valence at P Cc1ccc([P-]c2ccc(C)cc2)cc1 62 Strange valence at P N=C(N=C(O)C1=[N+]C(Cl)=C(N)N=C1N)NCc1ccccc1 357 Error in aromatic system O=S(F)(F)(F)F 477 Strange valence at S COC(=O)c1ccc(C(O)O)bc1OC 154 SMILES ERROR unrecognised atom b CC1=C(C)[NH+]([O-])C2N(N1)C(=S)SC2(C)C 137 Strange valence at N C/C1=C/[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)OC(C(C)C)[C@H](C)/C=C/C(O)=NC/C=C/1 164 SMILES ERROR - Inconsistent EZ stereo information O=C1CCc2ccccc2[NH+]([O-])C1 279 Strange valence at N [N-]=NC=C1N=CC=CC1=[F+] 18 Strange valence at F C[n+]1cc(=NC(O)=c2sc3nc(=C4C=CC(=[F+])C=C4)ccc3c2[NH-])o[n-]1 104 Strange valence at F C[n+]1[n-]oc(=O)c1C(O)=c1sc2nc(=C3C=CC(=[Cl+])C=C3)ccc2c1[NH-] 152 Strange valence at Cl C[n+]1[n-]oc(=O)c1C(O)=c1sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3cccc(F)c3)c2c1[NH-] 168 Strange valence at Cl C[n+]1[n-]oc(=O)c1C(O)=c1sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3ccc(C(F)(F)F)cc3)c2c1[NH-] 169 Strange valence at Cl C[n+]1[n-]oc(=O)c1C(O)=c1sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3ccc(F)cc3F)c2c1[NH-] 174 Strange valence at Cl Cc1ccc(-c2cc(=C3C=CC(=[Cl+])C=C3)nc3sc(=C(O)c4c(=O)o[n-][n+]4C)c([NH-])c23)cc1 181 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccccc2)sc2nc(=C3C=CC(=[Cl+])C=C3)ccc12 230 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccccc2)sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3cccc(F)c3)c12 252 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccccc2)sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3ccc(C(F)(F)F)cc3)c12 254 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccccc2)sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3ccc(F)cc3F)c12 259 Strange valence at Cl Cc1ccc(-c2cc(=C3C=CC(=[Cl+])C=C3)nc3sc(=C(O)c4c(=O)o[n-][n+]4-c4ccccc4)c([NH-])c23)cc1 266 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccc(OC(F)(F)F)cc2)sc2nc(=C3C=CC(=[Cl+])C=C3)ccc12 325 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccc(OC(F)(F)F)cc2)sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3cccc(F)c3)c12 348 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccc(OC(F)(F)F)cc2)sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3ccc(C(F)(F)F)cc3)c12 349 Strange valence at Cl [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccc(OC(F)(F)F)cc2)sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3ccc(F)cc3F)c12 355 Strange valence at Cl Cc1ccc(-c2cc(=C3C=CC(=[Cl+])C=C3)nc3sc(=C(O)c4c(=O)o[n-][n+]4-c4ccc(OC(F)(F)F)cc4)c([NH-])c23)cc1 361 Strange valence at Cl COc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)ccc3c2[NH-])cc1 412 Strange valence at Cl COc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4cccc(F)c4)c3c2[NH-])cc1 435 Strange valence at Cl COc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4ccc(C(F)(F)F)cc4)c3c2[NH-])cc1 437 Strange valence at Cl COc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4ccc(F)cc4F)c3c2[NH-])cc1 444 Strange valence at Cl COc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4ccc(C)cc4)c3c2[NH-])cc1 452 Strange valence at Cl Cc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)ccc3c2[NH-])cc1 497 Strange valence at Cl [O-]N=C=C1C(F)=C(F)C(=[F+])C(F)=C1F 456 Strange valence at F CCCC[SH](=O)(O)C1CS(=O)(=O)C/C1=N\O 218 Strange valence at S C[SH](=O)(O)C1CS(=O)(=O)C/C1=N\O 252 Strange valence at S Cc1ccc(-n2nc(-c3ccccc3)n[n+]2C2=N[N]N=N2)cc1 498 Error in aromatic system O=C(CCl)[S]1CCNC1 307 Strange valence at S CCn1ccc(=[Cl+])cc1 371 Strange valence at Cl O=S(=O)(Cc1ccccc1Cl)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1 147 Strange valence at F CC[N+](=O)C=C1S[N]N=C1c1ccccc1 275 Error in aromatic system C/C1=C/[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(O)=NC/C=C/1 78 SMILES ERROR - Inconsistent EZ stereo information O=[N+]1C=N[N]c2cnccc21 426 Error in aromatic system COc1ccc(C(=O)Cc2c(CC[NH+](C)[O-])cc3c(c2OC)OCO3)c(C(=O)O)c1OC 448 Strange valence at N O=S1(=O)CCC(S([O-])(O)C2=CC(=C([O-])N=C3C=CC(=[Cl+])C=C3)C(=[F+])C=C2)C1 148 Strange valence at F CC(=O)[N-]c1ccc([N-]C(=O)C2=CC(=[S+](O)(O)C3CCS(=O)(=O)C3)C=CC2=[F+])cc1 163 Strange valence at F Cn1c(=[Cl+])cc(Cl)c2ccccc21 52 Strange valence at Cl CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 260 Strange valence at F O=C(O)c1c(O)cccc1[SH](=O)(O)O 339 Strange valence at S C[C@@H]1O[C@@H]1[P](=O)(=O)O 26 Strange valence at P C[S](CC[C@@H](N)C(=O)O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O 142 Strange valence at S OC1=Nc2ccccc2[N]C(c2ccccc2)=C1Sc1ccc2c(c1)OCO2 40 Error in aromatic system COc1ccc(S#N)c([N+](=O)[O-])c1 2 Strange valence at S Cc1cc(N(C)C)cc2c1[N]c1c(C)cc(N(C)C)cc1S2 260 Error in aromatic system CN(C)C=[Br+] 311 Strange valence at Br CC(C)(C)[N-] 134 Strange valence at N Cc1cc(C)n(N[C+]=N)n1 378 Strange valence at C c1ccc([P-]c2ccccc2)cc1 316 Strange valence at P CCCCn1c(N=C(O)/C=C/c2cccc([N+](=O)[O-])c2)c([SH](=O)(O)c2ccccc2)c2nc3ccccc3nc21 334 Strange valence at S Cc1ccc(-c2cc(C(=O)O)nn2C2CC[SH](=O)(O)C2)cc1 38 Strange valence at S COc1ccc(-c2cc(C(=O)O)nn2C2CC[SH](=O)(O)C2)cc1 39 Strange valence at S Cc1nn(C2CC[SH](=O)(O)C2)c(C)c1CCC(=O)O 40 Strange valence at S Cc1nc2ccccc2n1CC1CCN([SH](=O)(O)c2ccc3c(c2)OCCO3)CC1 41 Strange valence at S [Br+]=CN1CCOCC1 179 Strange valence at Br CC1=C(c2ccccc2)[N]N=C[N+]1=O 151 Error in aromatic system CCn1c(=[I+])ccc2cc(OC)ccc21 115 Strange valence at I N=C1[N]N=C(N)[N+](=O)N1 146 Error in aromatic system O=C1C(c2cccnc2)CC(c2cccnc2)[NH+]1[O-] 295 Strange valence at N Cc1cc(C)nc([S](C)CC(=O)O)n1 432 Strange valence at S C[SH](=O)(O)n1cccc1C=O 274 Strange valence at S Cc1cc(C)c(C#N)c([S](C)C(O)=NCCC23CC4CC(CC(C4)C2)C3)n1 345 Strange valence at S CCCN1C(c2ccc(Cl)s2)=C[S](Br)/C1=N/c1cccc(C(F)(F)F)c1 422 Strange valence at S Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) [O-]N=C=C1C=CC(=[F+])C=C1 66 Strange valence at F [N-]=NC1=CC(=[OH+])C(=[Cl+])C=C1Cl 74 Strange valence at Cl C[S](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 301 Strange valence at S CCOC(=O)C[S](C)C 270 Strange valence at S CN(C)C1=CC(=[F+])C(=C2C(=O)C(c3ccc(N(C)C)cc3F)=C2[O-])C=C1 24 Strange valence at F CCn1c(=[I+])ccc2cc(OC)ccc21 430 Strange valence at I FC1=C(F)C(=C2C=C(c3ccccc3)C3=C(O2)C(=CC=CC=CC2=C4OC(c5c(F)c(F)c(F)c(F)c5F)=CC(c5ccccc5)=C4CCC2)CCC3)C(F)=C(F)C1=[F+] 406 Strange valence at F FC1=C(F)C(=C2C=C(c3ccccc3)C3=C(CCCC3)O2)C(F)=C(F)C1=[F+] 410 Strange valence at F [Cl+]=C1C=CC(=C2C3=C(OC4=C2CCc2ccccc24)c2ccccc2CC3)C=C1 122 Strange valence at Cl [Cl+]=C1C=CC(=C2C3=C(OC4=C2CCc2ccccc24)c2ccccc2CC3)C=C1 150 Strange valence at Cl [O-][NH+]1C2CCCC1CCC2 426 Strange valence at N CS(C)(C)(=O)Br 298 Strange valence at S O[B-]1(O)C2(F)C(=[F+])C(F)=C(F)[C@]12F 484 Strange valence at F C[S](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O 59 Strange valence at S COC(=O)C([N-]C(O)=C1C=CC(=[F+])C=C1)(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F 90 Strange valence at F CS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Cl)cc2)C(=[Cl+])C=N1 384 Strange valence at Cl O=S1(=O)CCC([N-]C(O)=C2C(=NC(O)=C3C=CC(=[F+])C=C3)SC3=C2CCCC3)C1 448 Strange valence at F N=C(O)C1CCC[NH+]([O-])C1 73 Strange valence at N COC1CC[NH+]([O-])CC1 76 Strange valence at N O=[n+]1c(-c2ccccc2)c2n(c3ccccc31)[N]N=N2 14 Error in aromatic system O[N-]C1=C2C(=[Cl+])C=CC=C2N=C1O 326 Strange valence at Cl O[N-]C1=C(O)N=C2C(=[Cl+])C=CC=C21 330 Strange valence at Cl O[N-]C1=C2C=CC(=[Cl+])C(Cl)=C2N=C1O 332 Strange valence at Cl O[N-]C1=C2C=CC(=[Cl+])C=C2N=C1O 335 Strange valence at Cl O[N-]C1=C(O)N=C2C=CC(=[Cl+])C=C21 337 Strange valence at Cl O[N-]C1=C(O)N=C2C(Cl)=CC(=[Cl+])C=C21 347 Strange valence at Cl O[N-]C1=C(O)N=C2C=CC(=[Br+])C=C21 348 Strange valence at Br O=C(O)NC[P](=O)(=O)O 250 Strange valence at P CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Cl+] 334 Strange valence at Cl CC1=C(CC(O)=NCCS(=O)(=O)c2ccc(F)cc2)C(=C2C=CC(=[Cl+])C=C2)N[N-]1 100 Strange valence at Cl COc1ccc(S(=O)(=O)CCN=C(O)CC2=C(C)[N-]NC2=C2C=CC(=[Cl+])C=C2)cc1 209 Strange valence at Cl Cn1ccc(=[Cl+])cc1 359 Strange valence at Cl Cn1ccc(=[Br+])cc1 364 Strange valence at Br O=C1CCCC2=C1SC(=C1C=C[N]C=C1)N2 462 Error in aromatic system COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 111 Strange valence at F O=S1(=O)CCC([S+]([O-])(O)=C2C=CC(=C([O-])N=C3C=CC(=[Br+])C=C3)C=C2)C1 202 Strange valence at Br O=C(N=C1C=CC(=[Cl+])C=C1)c1cccc([S+](=O)(O)C2CCS([O-])([O-])C2)c1 213 Strange valence at Cl N=c1c(S(=O)(=O)c2ccccc2)c2[nH]c3ccccc3[nH]c-2[n+]1CC[N-]C([O-])=C1C=CC(=[F+])C=C1 450 Strange valence at F CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[Br+])C=C1 126 Strange valence at Br CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[Cl+])C=C1 131 Strange valence at Cl CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[F+])C=C1 162 Strange valence at F CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[I+])C=C1 163 Strange valence at I O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Br+])C=C1 190 Strange valence at Br O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Cl+])C=C1 194 Strange valence at Cl O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[F+])C=C1 237 Strange valence at F COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[Br+])C=C2)cc1 279 Strange valence at Br COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[Cl+])C=C2)cc1 283 Strange valence at Cl COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[F+])C=C2)cc1 323 Strange valence at F CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Br+])C=C1 389 Strange valence at Br CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Cl+])C=C1 393 Strange valence at Cl CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[F+])C=C1 426 Strange valence at F CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[I+])C=C1 427 Strange valence at I CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Br+])C=C1 463 Strange valence at Br CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Cl+])C=C1 468 Strange valence at Cl [O-]N1C(CO)=C(CO)[NH+]([O-])c2ccccc21 7 Strange valence at N C[S](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 225 Strange valence at S CCn1c2cccc(=[Cl+])c-2nc2ccccc21 349 Strange valence at Cl COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CCC2=CCCCC2)CCS3(=O)=O)cc1 71 Strange valence at F O=S1(=O)CCC([S+]([O-])(O)=C2C=CC(=[F+])C(C([O-])=Nc3ccc(F)cc3)=C2)C1 282 Strange valence at F Cc1ccc(S(=O)(=O)c2c3[nH]c4ccccc4[nH]c-3[n+](CC[N-]C([O-])=C3C=CC(=[F+])C=C3)c2=N)cc1 441 Strange valence at F COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2[N-]C(O)=C2C=CC(=[F+])C=C2)cc1 65 Strange valence at F CS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Oc3ccccc3)cc2)C(=[Cl+])C=N1 120 Strange valence at Cl COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CCc2ccccc2)CCS3(=O)=O)cc1 145 Strange valence at F COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(Cc2ccccc2)CCS3(=O)=O)cc1 377 Strange valence at F CCCN1C(=O)/C(=C/c2cc(C)n(C3=CC4=C(CCCC4)[S]3C(=O)OCC)c2C)C(=O)N(c2ccccc2)C1=S 251 Strange valence at S [c-]1nc[nH]n1 481 Error in aromatic system C[S]1C=C(C(=O)O)N2C(=O)C[C@@H]21 211 Strange valence at S [NH-]c1c(=C(O)N=c2c[n+](N3CCCCC3)[n-]o2)sc2nc(=C3C=CC(=[F+])C=C3)ccc12 435 Strange valence at F O=C(CN1C=C(O)O[N-]1)N=C1C=CC(=[F+])C=C1 462 Strange valence at F COC(=O)c1ccccc1[S](C(=O)OC)c1ccc(Cl)cc1 368 Strange valence at S CC1=C(CC(O)=NC2CCS(=O)(=O)C2)C(=C2C=CC(=[Cl+])C=C2)N[N-]1 457 Strange valence at Cl CCCC(=O)c1ccc2c(c1)N(CCC[N+](C)C)c1ccccc1S2 423 Strange valence at N CC1(C)CC(N=C(O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CC(C)(C)[NH+]1[O-] 37 Strange valence at N CCCCCCCCCCCC1=C2C=CC(=[F+])C=C2CCN1Cc1ccc(C(C)(C)C)cc1 192 Strange valence at F O[B-](O)=C1C=CC=C1 295 Strange valence at B O[B-](O)=C1C=CC=C1 319 Strange valence at B CC1CCCCN1C=[Cl+] 62 Strange valence at Cl CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccccc1)C(=O)CO2 489 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(C(F)(F)F)c1)C(=O)CO2 490 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NC1CCCCC1)C(=O)CO2 491 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(N(C)C)cc1)C(=O)CO2 493 Strange valence at S CCOc1ccc(NC(=O)CN2C(=O)COc3ccc([SH](=O)(O)CC)cc32)cc1 494 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccco1)C(=O)CO2 495 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccccc1Cl)C(=O)CO2 496 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)CO2 497 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCCc1ccc(OC)c(OC)c1)C(=O)CO2 498 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(OC)c1)C(=O)CO2 499 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1Cl)C(=O)CO2 500 Strange valence at S CC1(C)CCCC(C)(C)[NH+]1[O-] 165 Strange valence at N [O-][NH2+]N(CC1CCCCC1)C1CCC2C(C1)N=NN2C1CCCCC1 185 Strange valence at N O=[SH](O)(Cl)c1cccc(Cl)c1 455 Strange valence at S O=[SH](O)(Cl)c1cccc(C(F)(F)F)c1 457 Strange valence at S O=S1(=O)CCN(Cc2ccco2)C2=C(F)C(=C(O)[N-]c3ccc(Br)cc3)C(=[F+])C(F)=C21 207 Strange valence at F COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CC2CCCO2)CCS3(=O)=O)cc1 380 Strange valence at F C[S](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O 89 Strange valence at S COc1ccc([SH](=O)(O)NCc2ccncc2)cc1OC 4 Strange valence at S Error when processing molecule 81 [O-]/[NH+]=C/c1ccc(N2CCOCC2)c(F)c1 java.lang.RuntimeException: Bad EZ ref 2057 null at molinspiration.mdk.z.b(Unknown Source) at molinspiration.mdk.z.a(Unknown Source) at molinspiration.mdk.z.a(Unknown Source) at molinspiration.mdk.q.getSmiles(Unknown Source) at molinspiration.mdk.Molecule.getSmiles(Unknown Source) at molinspiration.mdk.mib.b(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) C[IH](C)(C)N=[N+]=[N-] 199 Strange valence at I CC1=NC(=N)[N]N1C(=O)CCC(=O)c1ccc2c(c1)OCCO2 144 Error in aromatic system CC1=CC(c2ccc(Br)cc2)=CC(=C2C=CC(=[Br+])C=C2)O1 74 Strange valence at Br Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) c1ccc(/C2=N\Nc3ccccc3OCCCOc3ccccc3/N=N/2)cc1 434 SMILES ERROR - Inconsistent EZ stereo information Cc1cccc(C)c1NC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1ccccc1 432 Strange valence at F COc1cc2c(=[Cl+])ccn(C)c2cc1OC 46 Strange valence at Cl COCCN1CCS(=O)(=O)C2=C(F)C(=[F+])C(=C(O)[N-]c3ccc(OC)cc3)C(F)=C21 5 Strange valence at F C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 175 Strange valence at F c1ccc(Cn2c[n+]3[cH-]c(-c4ccccc4)nc3n2)cc1 453 Error in aromatic system CS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Br)cc2)C(=[Cl+])C=N1 143 Strange valence at Cl O=C(O)C[S](C(=O)N1CCOCC1)c1ccc(Br)cc1 6 Strange valence at S O=Cc1cscc1[S](O)O 236 Strange valence at S Cc1nn(Cc2ccccc2)c(C)c1[IH]c1ccccc1 77 Strange valence at I CC1([NH2+][O-])CCCCC1=O 342 Strange valence at N N#CC1=C(C#N)N=[P-]=N1 360 Strange valence at P Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)OC=C2)cc1 373 Strange valence at Cl [O-][NH+]1CC=CC2=C1NC=C1C=NCN12 415 Strange valence at N CCN1C(=Cc2ccn(CC)c(=[Cl+])c2)Sc2ccccc21 48 Strange valence at Cl C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 263 Strange valence at F COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 489 Strange valence at F [Cl+]=C(N1CCCC1)N1CCCC1 358 Strange valence at Cl O=Cc1ccc2c(c1)[NH+]([O-])C1C(=O)N(c3ccccc3)C(=O)C1[NH+]2[O-] 129 Strange valence at N CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Cl+])C=C3)N(C)c3ccccc32)C1 290 Strange valence at Cl C[N+]1(CC(c2ccccn2)[SH](=O)(O)c2ccccc2)CCOCC1 86 Strange valence at S C[n+]1nn2c(=O)c3c(nc2c1-c1ccccc1)N(Cc1ccccc1)[N]N=3 348 Error in aromatic system CCc1cc(=O)oc2c(CN3CCN([SH](=O)(O)N(C)C)CC3)c(O)c(Cl)cc12 243 Strange valence at S CN(C)[SH](=O)(O)N1CCN(Cc2c(O)ccc3c4c(c(=O)oc23)CCC4)CC1 244 Strange valence at S Cc1c(OCC(F)(F)F)ccnc1C[S](O)c1nc2ccccc2[nH]1 83 Strange valence at S [Cl+]=CN1CCCC1 388 Strange valence at Cl COC(=O)CC1C[SH](=O)(O)CCC1O 324 Strange valence at S O=C(N=C1C=CC(=[Br+])C=C1)c1cccc([S+](=O)(O)C2CCS([O-])([O-])C2)c1 88 Strange valence at Br O=[N+]([O-])c1ccc([SH](O)(O)=Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 131 Strange valence at S Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) COC(=O)c1ccnc2c1C=C[NH+]2[O-] 327 Strange valence at N CC1=N[N]c2ccc3c(c2=C1)=NO[N+]3=O 65 Error in aromatic system Fc1cc(F)cc([S](F)F)c1 331 Strange valence at S C[n+]1cc(=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc[cH-]1 14 Error in aromatic system Cc1ncc(COP(=O)(=O)=O)c(/C=N/NC(=O)c2cccc(Br)c2)c1O 220 Strange valence at P CC1C=C2N(N1)C(C)C=C[NH+]2[O-] 497 Strange valence at N O=C(O)C(O)CO[P](=O)(=O)O 492 Strange valence at P [Cl+]=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1 488 Strange valence at Cl CN1C=CC(=c2nc3c(s2)=CC=CC3=[Cl+])C=C1 327 Strange valence at Cl CN1C=CC(=c2nc3c(s2)=CC(=[F+])C=C3)C=C1 330 Strange valence at F CCN1C=CC(=c2nc3c(s2)=CC(=[F+])C=C3)C=C1 331 Strange valence at F CCCN1C=CC(=c2nc3c(s2)=CC(=[F+])C=C3)C=C1 332 Strange valence at F CCN1C=CC(=c2nc3c(s2)=CC=CC3=[Cl+])C=C1 339 Strange valence at Cl CCCN1C=CC(=c2nc3c(s2)=CC=CC3=[Cl+])C=C1 340 Strange valence at Cl CN(C)C(=[F+])N1CCOCC1 197 Strange valence at F FC1=C(F)C(=C2C=C(c3ccccc3)C=C(c3c(F)c(F)c(F)c(F)c3F)O2)C(F)=C(F)C1=[F+] 10 Strange valence at F CC(C)(N)CCC[SH](=O)(O)O 491 Strange valence at S CCOC1CC(C)(C)[NH+]([O-])C(C)(C)C1 192 Strange valence at N CC1=CC2=NCC(CNCc3ccc(OC4CCCC4)nc3)CN2[N]1 200 Error in aromatic system CC1=CC2=NCC(CNCc3ccc(C(C)O)cc3)CN2[N]1 201 Error in aromatic system COc1ccc(C)cc1C(C)NCC1CN=C2C=C(C)[N]N2C1 203 Error in aromatic system CC1=CC2=NCC(CNCC(c3ccco3)N3CCCCC3)CN2[N]1 206 Error in aromatic system CC1=CC2=NCC(CNC3CCN(Cc4ccccn4)CC3)CN2[N]1 207 Error in aromatic system CCN(CC)c1ccc(C(=O)N2[N]C(c3ccccn3)=NC2=N)cn1 295 Error in aromatic system Cn1c2c(c(=O)n(C)c1=O)[N+](=O)C=N[N]2 275 Error in aromatic system COCCCOc1ccnc(C[S](O)c2nc3ccccc3[nH]2)c1C 75 Strange valence at S Cc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[Br+])C=C2)cc1 73 Strange valence at Br Cc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[Cl+])C=C2)cc1 76 Strange valence at Cl Cc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[F+])C=C2)cc1 116 Strange valence at F Cc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[I+])C=C2)cc1 117 Strange valence at I CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[I+])C=C1 181 Strange valence at I COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[I+])C=C2)cc1 228 Strange valence at I CN1[N-]OC(O)=C1CN1CCOC(CC(=O)N=C2C=CC(=[Cl+])C=C2)C1=O 407 Strange valence at Cl O=C(CC1OCCN(CC2=C(O)O[N-]N2c2ccccc2)C1=O)N=C1C=CC(=[Cl+])C=C1 410 Strange valence at Cl O=C(CC1OCCN(CC2=C(O)O[N-]N2c2ccccc2)C1=O)N=C1C=CC(=[F+])C=C1 412 Strange valence at F CN1[N-]OC(O)=C1CN1CCOC(CC(=O)N=C2C=CC(=[Br+])C=C2)C1=O 420 Strange valence at Br F[B-]1(F)n2c(ccc2-c2cccc3ccccc23)C(=C2C=CC(=[I+])C=C2)c2ccc(-c3cccc4ccccc34)n21 350 Strange valence at I C[S](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 204 Strange valence at S OC(N=NC=C1C=CC(=[Br+])C=C1)=C1C=CN(Cc2ccccc2)C=C1 402 Strange valence at Br C[SH](C)(=O)N(CC(O)=NCc1ccc2c(c1)OCCCO2)Cc1c(F)cccc1Cl 463 Strange valence at S O=C(N=C1C=CC(=[F+])C=C1)c1cccc([S+](=O)(O)C2CCS([O-])([O-])C2)c1 239 Strange valence at F O=c1n([SH](=O)(O)c2ccccc2)c2ccccc2n1[SH](=O)(O)c1ccccc1 63 Strange valence at S CNc1ccc2c(c1)Sc1cc(N)ccc1[N]2 29 Error in aromatic system CCn1c(=[F+])sc2ccccc21 56 Strange valence at F CN(C)C1=CC(=[F+])C(=C2C(=O)C(c3ccc(N(C)C)cc3F)=C2[O-])C=C1 487 Strange valence at F Cc1ccc([SH](=O)(O)NC(=N)O)cc1 107 Strange valence at S CN[SH](C)(=O)c1ccccc1 149 Strange valence at S Fc1ccc(C2=CC(=C3C=CC(=[F+])C=C3)OC=C2)cc1 418 Strange valence at F C#[Si]CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 58 Strange valence at Si C#[Si]CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60 Strange valence at Si Cc1cc(=[Cl+])c2ccccc2n1C 238 Strange valence at Cl Cc1cc(=[Cl+])c2ccccc2n1C 112 Strange valence at Cl CCC(=O)O[SH](C)(=O)OCc1ccccc1 458 Strange valence at S O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc([N-]C(O)=C3C=CC(=[F+])C=C3)s2)cc1 291 Strange valence at F CC(C)Oc1ccc(N=C([O-])C2=CC(=[S+]([O-])(O)C3CCS(=O)(=O)C3)C=CC2=[F+])cc1 319 Strange valence at F CN1C=CC(=C2C=CC([N+](=O)[O-])=CC2=[F+])C=C1 177 Strange valence at F CC[S]1C=C(N)C2=C1CN=CN2 336 Strange valence at S CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[F+])C=C1 10 Strange valence at F COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[Br+])C=C2)cc1 50 Strange valence at Br COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[Cl+])C=C2)cc1 53 Strange valence at Cl CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Br+])C=C1 54 Strange valence at Br COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[F+])C=C2)cc1 94 Strange valence at F CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Br+])C=C1 156 Strange valence at Br CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[Br+])C=C1 157 Strange valence at Br CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Cl+])C=C1 167 Strange valence at Cl CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Cl+])C=C1 168 Strange valence at Cl CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[Cl+])C=C1 170 Strange valence at Cl CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[F+])C=C1 288 Strange valence at F CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[F+])C=C1 290 Strange valence at F CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[F+])C=C1 291 Strange valence at F CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[I+])C=C1 292 Strange valence at I CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[I+])C=C1 293 Strange valence at I CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[I+])C=C1 294 Strange valence at I COC(=O)C([N-]C(O)=C1C=CC(=[F+])C=C1)(Nc1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F 34 Strange valence at F CS(=O)(=O)c1ccc2nc([N-]C(O)=C3C=CC(=[F+])C=C3)sc2c1 445 Strange valence at F CN1CCN(C)C1=[Cl+] 158 Strange valence at Cl [Cl+]=C1C(=CC2=C3Oc4ccc5ccccc5c4C=C3CCC2)CCCC1=CC1=C2Oc3ccc4ccccc4c3C=C2CCC1 234 Strange valence at Cl CC[SH](=O)(O)c1ccc(F)cc1Cl 424 Strange valence at S CCn1nc(C)c([IH]c2ccccc2)c1C 360 Strange valence at I CCOC(=O)C1=c2c(c3ccccc3n2C)=N[N][N+]1=O 48 Error in aromatic system CC1=c2ccccc2=NC(CN2CCOCC2)[NH+]1[O-] 262 Strange valence at N CC1=c2ccccc2=NC(CN2CCCCC2)[NH+]1[O-] 263 Strange valence at N O=[N+]([O-])c1ccncc1[NH2+][O-] 273 Strange valence at N Cc1cc([NH2+][O-])cc(C)n1 276 Strange valence at N COc1cncc([NH2+][O-])c1 282 Strange valence at N CC1(C)C2=C(OCC=C2)[C@H](N)[S]1O 372 Strange valence at S Cc1cc(OCC(=O)[NH+]([O-])c2ccc(-c3nc(-c4ccccc4)no3)cc2)ccc1Cl 98 Strange valence at N O=C(c1ccccc1)[NH+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)cc1 100 Strange valence at N C[IH](C)(C)Cl 18 Strange valence at I CC1(C)CC(OS(C)(=O)=O)CC(C)(C)[NH+]1[O-] 48 Strange valence at N CN1CCN(C)C1=[F+] 130 Strange valence at F ClC(=[Cl+])N1CCOCC1 182 Strange valence at Cl [O-][NH2+]c1cc(Cl)ccc1[O-] 432 Strange valence at N C[S](C)C 8 Strange valence at S COc1ccc([N-]C(O)=C2C(=[F+])C(F)=C3C(=C2F)N(CCc2ccc(OC)c(OC)c2)CCS3(=O)=O)cc1 60 Strange valence at F CC1=[C-]C(C)(C)C(C)=C1C 230 Strange valence at C CC1=[C-]C(C)C(C)=C1C 231 Strange valence at C [C-]1=CC=CC1 256 Strange valence at C CC1=[C-]C(C)(C)C(C)=C1C 258 Strange valence at C C[SH](=O)(O)n1cc(C=O)cc1Cl 190 Strange valence at S Brc1ccc(C2=CC(c3ccccc3)=CC(=C3C=CC(=[Br+])C=C3)S2)cc1 124 Strange valence at Br [O-]N=C=C1C=CC(=[Cl+])C=C1 403 Strange valence at Cl b1occ2ccncc12 233 SMILES ERROR unrecognised atom b O=C(C[NH+]1C=CC=C([N+](=O)[O-])C1=[Cl+])[N-]c1ccc(Br)cc1 118 Strange valence at Cl [Cl+]=C1C=CC(=C2N(c3ccccn3)c3ccccc3N2c2ccccn2)C=C1 369 Strange valence at Cl CCn1nc(C)c([IH]c2ccccc2)c1C 493 Strange valence at I [O-][NH+]1c2ccccc2/C(=N/O)C1c1ccccc1 146 Strange valence at N CS(=O)(=O)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1 128 Strange valence at F Brc1ccccc1/C=N\NC1=NC(N2CCOCC2)=N[IH](N(c2ccccc2)c2ccccc2)=N1 402 Strange valence at I O=C(CCN[SH](=O)(O)c1ccc2c(c1)OCCO2)N1CCCCC1 401 Strange valence at S Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CC(C)[n+]1cc(=NC(O)=c2sc3nc(=C4C=CC(=[F+])C=C4)ccc3c2[NH-])o[n-]1 190 Strange valence at F [NH-]c1c(=C(O)N=c2c[n+](C3CC3)[n-]o2)sc2nc(=C3C=CC(=[F+])C=C3)ccc12 279 Strange valence at F [NH-]c1c(=C(O)N=c2c[n+](-c3ccccc3)[n-]o2)sc2nc(=C3C=CC(=[F+])C=C3)ccc12 359 Strange valence at F [NH-]c1c(=C(O)N=c2c[n+](N3CCOCC3)[n-]o2)sc2nc(=C3C=CC(=[F+])C=C3)ccc12 439 Strange valence at F OC[S]1C=Cc2nc(S)sc21 460 Strange valence at S [N-]=[N+]1ONc2ccccc21 132 Strange valence at N [N-]=[N+]1[N-][N+](=O)c2ccccc21 134 Strange valence at N c1ccc([P-]c2ccccc2)cc1 398 Strange valence at P Cn1ccc2ccccc2c1=[I+] 382 Strange valence at I CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1[N]2 208 Error in aromatic system Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)OC(c3ccccc3)=C2c2ccccc2)cc1 236 Strange valence at Cl Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)OC(c3ccc(Cl)cc3)=C2)cc1 271 Strange valence at Cl Clc1ccc(C2=NC(=C3C=CC(=[Cl+])C=C3)OC(c3ccc(Cl)cc3)=N2)cc1 274 Strange valence at Cl CC(C)(C)C1=CC(=C2NC(=C3C=C(C(C)(C)C)OC(C(C)(C)C)=C3)C(=[Br+])C2=[Br+])C=C(C(C)(C)C)O1 319 Strange valence at Br CC(C)(C)C1=CC(=C2NC(=[Br+])C(c3cc(C(C)(C)C)[o+]c(C(C)(C)C)c3)=C2Br)C=C(C(C)(C)C)O1 332 Strange valence at Br CC(C)(C)C1=CC(=C2NC(=C3C=C(C(C)(C)C)SC(C(C)(C)C)=C3)C(=[Br+])C2=[Br+])C=C(C(C)(C)C)S1 334 Strange valence at Br CC(C)(C)C1=CC(=C2NC(=C3C=C(C(C)(C)C)SC(C(C)(C)C)=C3)C(=[Br+])C2=[Br+])C=C(C(C)(C)C)S1 338 Strange valence at Br Clc1ccc(C2=CC(=C3C=CC(=[Cl+])C=C3)SC(c3ccc(Cl)cc3)=C2)cc1 340 Strange valence at Cl C[S](CC(=O)O)C[S](C)CC(=O)O 343 Strange valence at S CC(C)(C)C1=CC(=C2NC(C(C)(C)C)=C(Br)C2=[Br+])C=C(C(C)(C)C)O1 234 Strange valence at Br CC(C)(C)C1=CC(=C2NC(=[Br+])C(Br)=C2Br)C=C(C(C)(C)C)O1 235 Strange valence at Br CCO[S](CC)CC(=O)O 478 Strange valence at S O=C(C[NH+]1C=CC=CC1=[Cl+])[N-]c1ccc(OC(F)F)cc1 444 Strange valence at Cl CSCCC1(C(=O)O)NC(C2C=CC(=[Br+])S2)C2[C-]([O-])[N+](CCC3[S+]=CN=C3C)=C([O-])C21 191 Strange valence at N Cn1c2c(c(=[Cl+])c3ccccc31)CCCCCC2 341 Strange valence at Cl CCOC(=O)C1CC[N+]([I-])(Cc2ccccc2)CC1 286 Strange valence at I CCCCCCC1(O)CC(C)(C)[NH+]([O-])C(C)(C)C1 280 Strange valence at N CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[NH+](C)[O-])CC1 55 Strange valence at N [O-][NH2+]N=c1nc(-c2ccccc2)[nH]s1 469 Strange valence at N O=S(=O)(Cc1ccc(Cl)cc1)c1n[n-]c(=NC(O)=C2C=CC(=[F+])C=C2)s1 283 Strange valence at F CC[S](=O)(O)N1CCC(NC(O)=NCc2cccnc2)CC1 250 Strange valence at S CC[S](=O)(O)N1CCC(NC(O)=NCc2ccccn2)CC1 251 Strange valence at S [F+]=C(N1CCCC1)N1CCCC1 170 Strange valence at F [Cl+]=C(N1CCCCC1)N1CCCCC1 205 Strange valence at Cl Nn1ccc(Br)cc1=[Cl+] 298 Strange valence at Cl Cc1cc(C)n2c1C(=C1C=CC(=[I+])C=C1)c1c(C)cc(C)n1[B-]2(F)F 48 Strange valence at I CN(C)CC#SSCCN(C)C 137 Strange valence at S O=Cc1ccc2c(c1)[NH+]([O-])C1C(=O)N(c3ccc(Cl)cc3)C(=O)C1[NH+]2[O-] 80 Strange valence at N O=Cc1ccc2c(c1)[NH+]([O-])C1C(=O)OC(=O)C1[NH+]2[O-] 81 Strange valence at N CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[Br+])C=C1 8 Strange valence at Br CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[Cl+])C=C1 12 Strange valence at Cl CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[F+])C=C1 44 Strange valence at F CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[I+])C=C1 45 Strange valence at I O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Br+])C=C1 80 Strange valence at Br O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Cl+])C=C1 84 Strange valence at Cl O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[F+])C=C1 123 Strange valence at F O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[I+])C=C1 124 Strange valence at I COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[Br+])C=C2)cc1 165 Strange valence at Br COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[Cl+])C=C2)cc1 170 Strange valence at Cl COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[F+])C=C2)cc1 215 Strange valence at F COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[I+])C=C2)cc1 216 Strange valence at I C#CCSC1=NN(c2ccccc2)C(=C2C=CC(=[Cl+])C=C2)S1 350 Strange valence at Cl COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 6 Strange valence at F O=S1(=O)CCC(n2[n-]c(-c3ccccc3)cc2=NC(O)=C2C=CC(=[F+])C=C2)C1 401 Strange valence at F COC(=O)[S]1C=Cc2[nH]c(=N)sc21 150 Strange valence at S CCc1nc(SCC(=O)Nc2ccc([SH](N)(=O)O)cc2)n[nH]1 38 Strange valence at S Cc1nnc(SCC(O)=Nc2ncc([SH](=O)(O)c3ccc([N+](=O)[O-])cc3)s2)s1 42 Strange valence at S N=c1[nH]nc(SCC(O)=Nc2ncc([SH](=O)(O)c3ccc([N+](=O)[O-])cc3)s2)s1 43 Strange valence at S CC1(C)CC(CN=C=S)C(C)(C)[NH+]1[O-] 281 Strange valence at N Fc1ccc(C2=CC(=C3C=CC(=[F+])C=C3)N(c3ccccc3)C(c3ccc(F)cc3)=C2)cc1 39 Strange valence at F O=S1(=O)CCC([S+]([O-])(O)=C2C=CC(=C([O-])N=C3C=CC(=[F+])C=C3)C=C2)C1 33 Strange valence at F C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 329 Strange valence at F CC[NH+]([O-])c1cnccc1[N+](=O)[O-] 479 Strange valence at N C[S](C)CCC(N)C(=O)O 433 Strange valence at S ClCCn1sccc1=[Cl+] 402 Strange valence at Cl O=C(CS)N1C(=C2C=CC(=[Cl+])C=C2)N(C(=O)CS)c2ccccc21 426 Strange valence at Cl O=C(Cn1ccsc1=[Cl+])c1ccccc1 479 Strange valence at Cl O=[N+]([O-])c1ccc(Cn2ccsc2=[Br+])cc1 480 Strange valence at Br [Cl+]=C(N1CCCC1)N1CCCC1 36 Strange valence at Cl [Cl+]=C(N1CCCC1)N1CCCC1 84 Strange valence at Cl CN1CCN(C)C1=[F+] 133 Strange valence at F CN1CCN(C)C1=[F+] 136 Strange valence at F Cn1c(=NN=C2C=CC(=[Cl+])C=C2)sc2ccccc21 226 Strange valence at Cl Cn1ccccc1=NN=C1C=CC(=[Cl+])C=C1 231 Strange valence at Cl Cn1c(=NN=C2C=CC(=[F+])C=C2)sc2ccccc21 240 Strange valence at F O=C([NH2+][O-])c1cccnc1 401 Strange valence at N CCn1c(=[P+]=c2n(C)c3ccccc3n2CC)n(C)c2ccccc21 168 Strange valence at P Cn1c2ccccc2c(=[Cl+])c2ccccc21 234 Strange valence at Cl Cc1ccc(N[SH](=O)(O)c2cc3c4c(cccc4c2)C(=O)N(C)C3=O)c(C)c1 446 Strange valence at S C[SH](=O)(O)C1=C(O)C(=O)N(CCCC(=O)O)C1c1ccccc1 420 Strange valence at S CNS#CNCO 90 Strange valence at S CC(=O)C(=C=[SH][S-])[C+](C)O 64 Strange valence at S Cc1cc(=[Cl+])cc(C)n1-n1c(C)cc(=[Cl+])cc1C 117 Strange valence at Cl CN(C)C(=[Cl+])N(C)C 204 Strange valence at Cl CC1=CC(c2ccc(Br)cc2)=CC(=C2C=CC(=[Br+])C=C2)O1 448 Strange valence at Br O=[SH](O)(Cl)Cc1ccc(F)cc1Cl 293 Strange valence at S CCN(CC)CCCN[SH](N)(=O)Cc1ccccc1 211 Strange valence at S O=C(O)C1=CC=C[S]1O 90 Strange valence at S CCOC1=Nc2ccccc2[NH+]1[O-] 185 Strange valence at N COC(=O)c1ccc2c(c1)C(C)(C)C(=CC=c1c(=C3C=CC(=[Cl+])C=C3)n(C)c3ccccc13)N2CCCCS(=O)(O)=NC(C)=O 233 Strange valence at Cl O=[SH]1(O)CCc2cncc(Br)c2C1 308 Strange valence at S C[S](C)CC[C@H](N)C(=O)O 386 Strange valence at S CCCCn1c(N=C(O)/C=C/c2cccc([N+](=O)[O-])c2)c([SH](=O)(O)c2ccccc2)c2nc3ccccc3nc21 386 Strange valence at S CCn1ccc(=NN=C2C=CC(=[Cl+])C=C2)cc1 255 Strange valence at Cl Cc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4cccc(F)c4)c3c2[NH-])cc1 291 Strange valence at Cl Cc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4ccc(C(F)(F)F)cc4)c3c2[NH-])cc1 293 Strange valence at Cl Cc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4ccc(F)cc4F)c3c2[NH-])cc1 300 Strange valence at Cl Cc1ccc(-c2cc(=C3C=CC(=[Cl+])C=C3)nc3sc(=C(O)c4c(=O)o[n-][n+]4-c4ccc(C)cc4)c([NH-])c23)cc1 306 Strange valence at Cl O=C(CN1C=C(O)O[N-]1)N=C1C=CC(=[Br+])C=C1 341 Strange valence at Br O=C(CN1C=C(O)O[N-]1)N=C1C=CC(=[Cl+])C=C1 346 Strange valence at Cl O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[I+])C=C1 382 Strange valence at I COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[I+])C=C2)cc1 420 Strange valence at I Cc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[Br+])C=C2)cc1 459 Strange valence at Br Cc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[Cl+])C=C2)cc1 463 Strange valence at Cl Cc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[F+])C=C2)cc1 496 Strange valence at F Cc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[I+])C=C2)cc1 497 Strange valence at I C[n+]1nn2c(=O)c3c(nc2c1-c1ccccc1)N(Cc1ccccc1)[N]N=3 48 Error in aromatic system O=c1n(-c2ccccc2)sc(=[Cl+])n1Cc1ccccc1 57 Strange valence at Cl [Cl+]=CN1CCCCCCC1 226 Strange valence at Cl Cn1c(Br)c(Br)n(C)c1=[Br+] 401 Strange valence at Br [F+]=C1C=CC(=C2N=C[N-][n+]3cc4ccccc4cc32)C=C1 323 Strange valence at F CN1C(=C2C=CC(=[Cl+])C=C2)N(C)c2ccccc21 453 Strange valence at Cl COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[Br+])C=C2)cc1 86 Strange valence at Br COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[Cl+])C=C2)cc1 92 Strange valence at Cl COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[F+])C=C2)cc1 132 Strange valence at F COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[I+])C=C2)cc1 133 Strange valence at I CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[Br+])C=C1 253 Strange valence at Br CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[Cl+])C=C1 260 Strange valence at Cl CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[F+])C=C1 303 Strange valence at F CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[I+])C=C1 304 Strange valence at I O=C(O)CNC[P](=O)(=O)O 93 Strange valence at P [O-][NH+]1ONc2ccc(C=NN=C(S)Nc3ccc(F)cc3)cc21 38 Strange valence at N Cc1cc(Cl)ccc1NC(S)=NN=Cc1ccc2c(c1)[NH+]([O-])ON2 39 Strange valence at N [O-][NH+]1ONc2ccc(C=NNC(S)=Nc3cccc(Cl)c3Cl)cc21 40 Strange valence at N [O-]C1ONN(c2ccccc2)C1=[Br+] 117 Strange valence at Br CC1CCC2=C(C1)SC(=NC(O)=C1C=CC(=[F+])C=C1)C2=C(O)[N-]C1CCS(=O)(=O)C1 423 Strange valence at F CC1=C[S](Cc2c(Cl)cccc2Cl)c2nn(C(=O)O)cc21 112 Strange valence at S CC1=C[S](Cc2ccc(Cl)cc2Cl)c2nn(C(=O)O)cc21 115 Strange valence at S CC1=C[S](Cc2ccc(F)cc2)c2nn(C(=O)O)cc21 116 Strange valence at S CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1 333 Strange valence at F CCCC[SH](=O)(O)C1CS(=O)(=O)C/C1=N/O 169 Strange valence at S Cn1c(=[I+])ccc2ccccc21 239 Strange valence at I COC(=O)C[S](O)C(c1ccccc1)c1ccccc1 12 Strange valence at S N=C(O)C[S](O)C(c1ccccc1)c1ccccc1 13 Strange valence at S O=C(CN1C=C(O)O[N-]1)N=C1C=CC(=[I+])C=C1 484 Strange valence at I Cc1cc(C)[n+](C2=[NH+][N]C(=S)S2)c(C)c1 140 Error in aromatic system Cc1cc(-c2ccccc2)cc(C)[n+]1C1=[NH+][N]C(=S)S1 141 Error in aromatic system S=C1[N][NH+]=C([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)S1 142 Error in aromatic system Cc1cc(-c2ccccc2)[n+](C2=[NH+][N]C(=S)S2)c(-c2ccccc2)c1 143 Error in aromatic system Cc1c(C)c(C)[n+](C2=[NH+][N]C(=S)S2)c(C)c1C 144 Error in aromatic system Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) C/N=C/C1=CC=C[NH+]1[O-] 493 Strange valence at N Cc1nn(Cc2ccccc2)c(C)c1[IH]c1ccccc1 297 Strange valence at I [Cl+]=c1cccc2n(Cc3ccccc3)ccn12 385 Strange valence at Cl Error when processing molecule 166 CC(C)(NO)/C(=[NH+]\[O-])c1ccccc1 java.lang.RuntimeException: Bad EZ ref 2056null at molinspiration.mdk.z.b(Unknown Source) at molinspiration.mdk.z.a(Unknown Source) at molinspiration.mdk.z.a(Unknown Source) at molinspiration.mdk.q.getSmiles(Unknown Source) at molinspiration.mdk.Molecule.getSmiles(Unknown Source) at molinspiration.mdk.mib.b(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) Cc1cc(C)c(-n2[c-][n+](-c3c(C)cc(C)cc3C)cc2)c(C)c1 466 Error in aromatic system CC(C)(C)n1[c-][n+](C(C)(C)C)cc1 469 Error in aromatic system CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1 472 Error in aromatic system CC(C)c1cccc(C(C)C)c1N1[C-]=[N+](c2c(C(C)C)cccc2C(C)C)CC1 475 Strange valence at N O=Cc1cc(Br)ccc1O[SH](=O)(O)c1ccccc1 336 Strange valence at S CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Br+])C=C3)N(C)c3ccccc32)C1 262 Strange valence at Br Nc1cnccc1SCCCOC(=O)c1cccc2c1[N]C=C2 14 Error in aromatic system CC1=C[S](c2ccc(Cl)cc2)c2nn(C(=O)O)cc21 131 Strange valence at S C[SH](C)(C)=O 271 Strange valence at S Exception in thread "main" java.lang.NullPointerException at molinspiration.util.MolReader.e(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.util.MolReader.(Unknown Source) at molinspiration.mdk.mib.a(Unknown Source) at molinspiration.mdk.mib.main(Unknown Source) CCOC(=O)c1sc(N2C(=O)c3cc([NH2+][O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c(C#N)c1C 427 Strange valence at N CC1=CC2=NCC(CNCc3c(C)noc3C)CN2[N]1 122 Error in aromatic system CCS(=O)(=O)C1=NC(=C(O)[N-]c2ccc(Oc3ccccc3)cc2)C(=[Cl+])C=N1 17 Strange valence at Cl O=S1(=O)CCN(Cc2cccnc2)C2=C(F)C(=C(O)[N-]c3ccc(Br)cc3)C(=[F+])C(F)=C21 156 Strange valence at F Cc1ccc(C(=[Cl+])C=CN(C)C)cc1 46 Strange valence at Cl CC1(C)C2=CC(=c3ccc(=C4C=CC(=[Br+])C=C4)o3)C=C(c3ccccc3)N2c2ccccc21 253 Strange valence at Br CC1(C)C2=CC(=c3ccc(=C4C=CC(=[Cl+])C=C4)o3)C=C(c3ccccc3)N2c2ccccc21 259 Strange valence at Cl N[N+]1=CCN=C[CH-]1 425 Strange valence at N Fn1c(Cl)cccc1=[Cl+] 244 Strange valence at Cl C=NOO[S](C)CCc1cccc(B(O)O)c1 212 Strange valence at S C=NOO[S](C)Oc1ccc(B(O)O)cc1 258 Strange valence at S COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 472 Strange valence at F O=C(CN1C=CC(=C2C=CC(=[Br+])C=C2)N=C1)c1ccc(Cl)cc1 63 Strange valence at Br O=C(CN1C=CC(=C2C=CC(=[Br+])C=C2)N=C1)c1ccc(Br)cc1 64 Strange valence at Br O=C(CN1C=CC(=C2C=CC(=[Br+])C=C2)N=C1)c1ccc([N+](=O)[O-])cc1 65 Strange valence at Br CC1=c2c(ccc3c2=NO[N+]3=O)[N]N=C1 339 Error in aromatic system CN1C(=C2C=CC(=[Br+])C=C2)N(C)c2ccccc21 297 Strange valence at Br Cc1c(S(=O)(=O)c2ccccc2)c([N-]C(O)=C2C=CC(=[F+])C=C2)n(C(C)C)c1C 171 Strange valence at F C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1[N-]C(O)=C1C=CC(=[F+])C=C1 361 Strange valence at F CC1(C)CC([N+](C)(C)CCO)CC(C)(C)[NH+]1[O-] 304 Strange valence at N [O-][SH]([O-])([O-])=S 361 Strange valence at S COc1ccc2ccc(=O)oc2c1CCC(C)(C)[S](C)C 227 Strange valence at S CCC[S](O)c1ccc2nc(N=C(O)OC)[nH]c2c1 267 Strange valence at S O[B-](O)=C1C=CC=C1 92 Strange valence at B O[B-](O)=C1C=CC=C1 299 Strange valence at B [Cl+]=C1C=CC(=C2N(c3ccccn3)c3ccccc3N2c2ccccn2)C=C1 472 Strange valence at Cl CC[SH]1(=O)NC(C)=Nc2ccccc21 379 Strange valence at S O=[SH](O)(NCCN=C(O)c1cc2ccccc2[nH]1)c1ccc(Br)cc1 347 Strange valence at S C[SH](N)(=O)CC[C@H](N)C(=O)O 209 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1)C(=O)CO2 132 Strange valence at S COC(O)=C1C=C[CH-][N+](CC(=O)N=C2C=CC(=[O+]C(F)F)C=C2)=C1 169 Error in aromatic system O=C(O)c1obc2ccccc12 110 SMILES ERROR unrecognised atom b CN1CCN(C)C1=[F+] 177 Strange valence at F [Br+]=C1C=CC(=C2C=CN3C=CC=CC3=N2)C=C1 38 Strange valence at Br [Cl+]=C1C=CC(=C2C=CN3C=CC=CC3=N2)C=C1 56 Strange valence at Cl ClC1=CN2C=CC(=C3C=CC(=[Cl+])C=C3)N=C2C=C1 57 Strange valence at Cl O=[n+]1nc2n(c3ccccc31)[N]N=C2c1ccc(F)cc1 303 Error in aromatic system O=[n+]1nc2n(c3ccccc31)[N]N=C2c1c(Cl)cccc1Cl 319 Error in aromatic system [Cl+]=CN1CCCCCC1 66 Strange valence at Cl OC(CSC1=NN(CC(O)=Nc2c(Cl)cccc2Cl)C(=C2C=CC(=[Br+])C=C2)O1)=Nc1c(Cl)cccc1Cl 27 Strange valence at Br C[SH](N)(=O)c1ccccc1 354 Strange valence at S [BH+][P@+]1(c2ccccc2)O[C@H](c2ccccc2)[C@H](C)N1C 200 Strange valence at B C[N+](C)(C)[N-]C=C1C=CC(=[Cl+])C=C1 238 Strange valence at Cl ClC1=CC=C[S]1CN1CCNCC1 40 Strange valence at S Fn1c(Cl)c(Cl)c(Cl)c(Cl)c1=[Cl+] 323 Strange valence at Cl CC(C)N(C=[Cl+])C(C)C 222 Strange valence at Cl