CC(C)(C)OC(=O)N1CC[SH](=O)(O)C(C2(N)CC2)C1 204 Strange valence at S CCCC[SH](=O)(O)C1CS(=O)(=O)C/C1=N\O 211 Strange valence at S C[SH](=O)(O)C1CS(=O)(=O)C/C1=N\O 237 Strange valence at S O=C(O)C(=O)[S]1C=CC=C1Cl 209 Strange valence at S COC(=O)/C1=C(\N2CCCC2)CCCC\C=C/1C(=O)OC 81 SMILES ERROR - Inconsistent EZ stereo information Cc1ccc[n+](C(=C([S-])Nc2cccc3ccccc23)C([O-])=C2C=CC(=[F+])C=C2)c1 132 Strange valence at F CN(C)N1C(=C2C=CC(=[Br+])C=C2)CS/C1=N\c1ccccc1 389 Strange valence at Br CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=NCc1ccccc1)C(=O)CO2 87 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1cccc(Cl)c1)C(=O)CO2 91 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)c(F)c1)C(=O)CO2 97 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)N1CCC(C)CC1)C(=O)CO2 99 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccccc1)C(=O)CO2 100 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(=O)Nc1ccc(N=C(C)O)cc1)C(=O)CO2 103 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CO2 107 Strange valence at S CC[SH](=O)(O)c1ccc2c(c1)N(CC(O)=Nc1ccc(C)cc1Br)C(=O)CO2 108 Strange valence at S CN1CC(CC#N)[SH](=O)(O)CC1=O 358 Strange valence at S CC(C)(C)OC(=O)N1CC[SH](=O)(O)C(C=O)C1 56 Strange valence at S [CH-]=C1C=CC=CC1=[O+]C(C)CC 152 Strange valence at C Br[S](CC1CC1)c1ccccc1 320 Strange valence at S Cc1c(Cl)cccc1NC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1ccccc1 28 Strange valence at F Cc1ccc[n+](C(=C([S-])NCc2ccccc2)C([O-])=C2C=CC(=[F+])C=C2)c1 33 Strange valence at F CC(C)(C)c1cc[n+](C(=C([S-])NCc2ccccc2)C([O-])=C2C=CC(=[F+])C=C2)cc1 34 Strange valence at F [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])NCc1ccccc1)[n+]1ccccc1 66 Strange valence at F Cc1ccc[n+](C(=C([S-])NCc2ccco2)C([O-])=C2C=CC(=[F+])C=C2)c1 69 Strange valence at F CC(C)(C)c1cc[n+](C(=C([S-])NCc2ccco2)C([O-])=C2C=CC(=[F+])C=C2)cc1 101 Strange valence at F Cc1ccc(C)c(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2cccc(C)c2)c1 128 Strange valence at F Cc1ccc(C)c(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2ccc(C(C)(C)C)cc2)c1 129 Strange valence at F CC(C)(C)c1cc[n+](C(=C([S-])Nc2cccc3ccccc23)C([O-])=C2C=CC(=[F+])C=C2)cc1 218 Strange valence at F COc1cccc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2ccc(C(C)(C)C)cc2)c1 288 Strange valence at F C=CCNC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1ccc(C(C)(C)C)cc1 385 Strange valence at F Cc1cc(C)cc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2ccc(C(C)(C)C)cc2)c1 458 Strange valence at F Cc1ccc[n+](C(=C([S-])Nc2c(C)cccc2C)C([O-])=C2C=CC(=[F+])C=C2)c1 481 Strange valence at F CC(=O)[S]1N=CC=N1 475 Strange valence at S C[SH](=O)(O)C1CS(=O)(=O)C/C1=N\O 15 Strange valence at S CC(N)C(=O)c1ccn([SH](C)(=O)O)c1 97 Strange valence at S CNCC(=O)c1ccn([SH](C)(=O)O)c1 98 Strange valence at S CC1(C)C=C(C(=O)O)C(C)(C)[NH+]1[O-] 102 Strange valence at N NC1CC[SH](=O)(O)CC1CC(=O)O 108 Strange valence at S CN1C(=C2C=CC(=[Cl+])C=C2)N(C)c2ccccc21 357 Strange valence at Cl CN1CC(C2(N)CC2)[SH](=O)(O)CC1=O 390 Strange valence at S CCc1ccc(OC)c(C2=C(C(=O)O)SN[N]2)c1 209 Error in aromatic system NC1=[N+](NCc2ccc(Cl)cc2Cl)N=[N+]=N1 15 Strange valence at N CCOc1c(CN[N+]2=C(N)N=[N+]=N2)cccc1OC 57 Strange valence at N NCCC1=CNC(=C2C=C[N]C=C2)S1 147 Error in aromatic system C[SH](=O)(O)n1ccc(CO)c1 35 Strange valence at S COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[F+])C=C2)cc1 19 Strange valence at F COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[I+])C=C2)cc1 20 Strange valence at I COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[Br+])C=C2)cc1 111 Strange valence at Br COc1ccc(N2[N-]OC(=O)C2=C(O)N=C2C=CC(=[Cl+])C=C2)cc1 121 Strange valence at Cl CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[F+])C=C1 407 Strange valence at F CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[I+])C=C1 408 Strange valence at I C[SH](=O)(O)n1cc(CN)cc1Cl 250 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1CN 251 Strange valence at S COc1ccc([S]2C=Cc3cccn3-c3cccc(OC(C)=O)c32)cc1 88 Strange valence at S O=C(O)C1=C(c2ccc3c(c2)OCCO3)[N]NS1 219 Error in aromatic system CC(=O)c1cccc(N=C(O)C2CCCN([SH](=O)(O)Cc3ccccc3)C2)c1 470 Strange valence at S CCOC1=CC(CNn2nn[nH]c2=N)=CC(=[Br+])C1=[O+]CC 138 Strange valence at Br CCCCCCCc1ccc(C2=CC(=[F+])[CH+]C(N=N)=C2)nc1 495 Strange valence at F O=C(O)Cn1ccc(=[F+])cc1 459 Strange valence at F O=C(O)CCCn1ccc(=[F+])cc1 460 Strange valence at F O=C(O)CCCCn1ccc(=[F+])cc1 461 Strange valence at F [F+]=c1ccn(CCCBr)cc1 462 Strange valence at F O=C(O)CCn1ccc(=[F+])cc1 467 Strange valence at F O=[N+]1C=CC2=C[N]N=CC2=C1 408 Error in aromatic system CC(C)Oc1ccc([SH](=O)(O)N2CCOCC2)cc1N 407 Strange valence at S CC1=[N+]=c2ccccc2=C1C(=[OH+])C[n+]1ccc(Cc2ccc(N([O-])[O-])cc2)cc1 306 Strange valence at N O=C(O)c1cccc(N2N=C(O)CCC2=C2C=CC(=[Cl+])C=C2)c1 127 Strange valence at Cl O=C(O)c1cccc(N2N=C(O)CCC2=C2C=CC(=[I+])C=C2)c1 330 Strange valence at I Cc1ccc2c(c1)C(N1CCCCC1)=CC(=C1C=CC(=[Cl+])C=C1)O2 273 Strange valence at Cl Cc1ccc2c(c1)C(N1CCOCC1)=CC(=C1C=CC(=[Cl+])C=C1)O2 282 Strange valence at Cl CCN1CCN(C2=CC(=C3C=CC(=[Cl+])C=C3)Oc3ccc(C)cc32)CC1 283 Strange valence at Cl Cc1ccc2c(c1)C(N(C)Cc1ccccc1)=CC(=C1C=CC(=[Cl+])C=C1)O2 293 Strange valence at Cl O=C(O)CC1C[SH](=O)(O)CCC1=O 387 Strange valence at S O=C(O)c1ccc(N2N=C(O)CCC2=C2C=CC(=[F+])C=C2)cc1 152 Strange valence at F CCCCCCCc1ccc(C2=CC(=[F+])[CH+]C(N=N)=C2)nc1 358 Strange valence at F C[SH](=O)(O)n1ccc(C(=O)CN)c1 6 Strange valence at S CNCCc1ccn([SH](C)(=O)O)c1 205 Strange valence at S CC(C)C1=C(C(=O)O)SN[N]1 367 Error in aromatic system CCCC1=C(C(=O)O)SN[N]1 368 Error in aromatic system CC(=O)Cc1cc(Cl)n([SH](C)(=O)O)c1 288 Strange valence at S CC(=O)Cc1ccc(Cl)n1[SH](C)(=O)O 289 Strange valence at S C[SH](=O)(O)n1ccc(C=O)c1 169 Strange valence at S C[SH](=O)(O)n1cccc1C=O 170 Strange valence at S O=C(O)C1=C(C2CCCCC2)[N]NS1 282 Error in aromatic system O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Br+])C=C1 19 Strange valence at Br O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Cl+])C=C1 25 Strange valence at Cl COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[Br+])C=C2)cc1 79 Strange valence at Br O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[F+])C=C1 98 Strange valence at F O=C(CSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[I+])C=C1 99 Strange valence at I CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[F+])C=C1 118 Strange valence at F CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[I+])C=C1 119 Strange valence at I CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[Br+])C=C1 207 Strange valence at Br CN1[N-]OC(O)=C1SCC(=O)N=C1C=CC(=[Cl+])C=C1 235 Strange valence at Cl CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Br+])C=C1 279 Strange valence at Br CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Cl+])C=C1 283 Strange valence at Cl CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Br+])C=C1 322 Strange valence at Br CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Cl+])C=C1 342 Strange valence at Cl CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[F+])C=C1 377 Strange valence at F CC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[I+])C=C1 385 Strange valence at I COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[F+])C=C2)cc1 423 Strange valence at F COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[I+])C=C2)cc1 424 Strange valence at I C[SH](=O)(O)n1ccc(C(O)CN)c1 67 Strange valence at S C[SH](=O)(O)n1ccc(C(N)CO)c1 68 Strange valence at S COC(=O)CC1C[SH](=O)(O)CCC1=O 177 Strange valence at S COC(=O)CC1C[SH](=O)(O)CCC1N 270 Strange valence at S C[SH](=O)(O)n1cc(CC(=O)O)cc1Cl 3 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1CC(=O)O 4 Strange valence at S CC(C)(O)c1ccc(Cl)n1[SH](C)(=O)O 61 Strange valence at S CC(C)(O)c1cc(Cl)n([SH](C)(=O)O)c1 62 Strange valence at S C[SH](=O)(O)n1ccc(C(N)C(=O)O)c1 57 Strange valence at S CC(N)C(O)c1ccn([SH](C)(=O)O)c1 325 Strange valence at S C[SH](=O)(O)n1ccc(C(O)CCN)c1 326 Strange valence at S C[SH](=O)(O)n1ccc(C(N)CCO)c1 327 Strange valence at S CNCC(O)c1ccn([SH](C)(=O)O)c1 328 Strange valence at S Cc1cccc(N=C(O)[S](C)CC(=O)O)c1C 13 Strange valence at S CC1=CC(F)=C[S]1O 25 Strange valence at S Cc1ccc2nc(N=C(O)[S](C)CC(=O)O)sc2c1 109 Strange valence at S CCOC(=O)C1=N[S](C(C)=O)N=C1 465 Strange valence at S [CH-]=[O+]CCCl 347 Strange valence at O Cc1ccc(C)c(C2=C(C(=O)O)SN[N]2)c1 408 Error in aromatic system Cc1ccc(C2=C(C(=O)O)SN[N]2)c(C)c1 409 Error in aromatic system C[SH](=O)(O)n1c(Cl)ccc1Br 357 Strange valence at S C[SH](=O)(O)n1cc(Br)cc1Cl 358 Strange valence at S CC(C)(O)c1ccc(Br)n1[SH](C)(=O)O 259 Strange valence at S CC(C)(O)c1cc(Br)n([SH](C)(=O)O)c1 260 Strange valence at S CC(C)(O)c1cc(Br)cn1[SH](C)(=O)O 261 Strange valence at S NC#SN 21 Strange valence at S C[SH](=O)(O)n1cc(CCN)cc1Cl 245 Strange valence at S CC(N)c1cc(Cl)n([SH](C)(=O)O)c1 246 Strange valence at S CNCc1cc(Cl)n([SH](C)(=O)O)c1 247 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1CCN 248 Strange valence at S CC(N)c1ccc(Cl)n1[SH](C)(=O)O 249 Strange valence at S CNCc1ccc(Cl)n1[SH](C)(=O)O 250 Strange valence at S O=C(O)C1=C(c2cccc(Br)c2)[N]NS1 36 Error in aromatic system O=C(O)C1=C(c2ccccc2Br)[N]NS1 38 Error in aromatic system CS(C)(C)(=O)Br 167 Strange valence at S O=C(O)C1=C(c2ccccc2Cl)[N]NS1 420 Error in aromatic system O=C(O)C1=C(c2cccc(Cl)c2)[N]NS1 421 Error in aromatic system CC(=O)c1cc(Br)cn1[SH](C)(=O)O 333 Strange valence at S CC(=O)c1cc(Br)n([SH](C)(=O)O)c1 334 Strange valence at S CC(=O)c1ccc(Br)n1[SH](C)(=O)O 335 Strange valence at S CC(C)CN=C(O)c1c(C[S]2C=CC=C2)c2c(=O)n(C)c(=O)n(C)c2[nH]c1=N 391 Strange valence at S Cn1c(=O)c2c(C[S]3C=CC=C3)c(C(=N)O)c(=N)[nH]c2n(C)c1=O 392 Strange valence at S Cn1c(=O)c2c(C[S]3C=CC=C3)c(C(O)=Nc3ccccc3)c(=N)[nH]c2n(C)c1=O 394 Strange valence at S Cn1c(=O)c2c(C[S]3C=CC=C3)c(C(O)=NCc3cccnc3)c(=N)[nH]c2n(C)c1=O 395 Strange valence at S Cn1c(=O)c2c(C[S]3C=CC=C3)c(C(O)=NCc3ccco3)c(=N)[nH]c2n(C)c1=O 396 Strange valence at S Cn1c(=O)c2c(C[S]3C=CC=C3)c(C(O)=NCc3ccccc3)c(=N)[nH]c2n(C)c1=O 397 Strange valence at S COc1ccc(Cl)cc1N=C(O)c1c(C[S]2C=CC=C2)c2c(=O)n(C)c(=O)n(C)c2[nH]c1=N 398 Strange valence at S Cn1c(=O)c2c(C[S]3C=CC=C3)c(C(=O)Nc3ccc(Cl)cc3)c(=N)[nH]c2n(C)c1=O 399 Strange valence at S COc1ccccc1N=C(O)c1c(C[S]2C=CC=C2)c2c(=O)n(C)c(=O)n(C)c2[nH]c1=N 402 Strange valence at S COc1cccc(N=C(O)c2c(C[S]3C=CC=C3)c3c(=O)n(C)c(=O)n(C)c3[nH]c2=N)c1 403 Strange valence at S COc1ccc(NC(=O)c2c(C[S]3C=CC=C3)c3c(=O)n(C)c(=O)n(C)c3[nH]c2=N)cc1 404 Strange valence at S CCOc1ccc(NC(=O)c2c(C[S]3C=CC=C3)c3c(=O)n(C)c(=O)n(C)c3[nH]c2=N)cc1 405 Strange valence at S CC(=O)c1cccc(N=C(O)c2c(C[S]3C=CC=C3)c3c(=O)n(C)c(=O)n(C)c3[nH]c2=N)c1 406 Strange valence at S CCOC(=O)c1ccc(NC(=O)c2c(C[S]3C=CC=C3)c3c(=O)n(C)c(=O)n(C)c3[nH]c2=N)cc1 407 Strange valence at S Cc1ccccc1N=C(O)c1c(C[S]2C=CC=C2)c2c(=O)n(C)c(=O)n(C)c2[nH]c1=N 408 Strange valence at S Cn1c(=O)c2c(C[S]3C=CC=C3)c(C(O)=Nc3cccnc3)c(=N)[nH]c2n(C)c1=O 409 Strange valence at S Cn1ccn(C)c1=[Cl+] 289 Strange valence at Cl CC(C)(O)c1ccn([SH](C)(=O)O)c1 121 Strange valence at S C[SH](=O)(O)n1ccc(CN)c1 63 Strange valence at S O=C(CC1OCCN(CC2=C(O)O[N-]N2c2ccccc2)C1=O)N=C1C=CC(=[Br+])C=C1 21 Strange valence at Br CN1[N-]OC(O)=C1CN1CCOC(CC(=O)N=C2C=CC(=[I+])C=C2)C1=O 22 Strange valence at I CN1[N-]OC(O)=C1CN1CCOC(CC(=O)N=C2C=CC(=[F+])C=C2)C1=O 23 Strange valence at F [NH-]c1c(=C(O)c2c(=O)o[n-][n+]2-c2ccccc2)sc2nc(=C3C=CC(=[Cl+])C=C3)ccc12 60 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 76 Strange valence at Cl COc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)ccc3c2[NH-])cc1 88 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 121 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 122 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 131 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 142 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 157 Strange valence at Cl CN1[N-]OC(O)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[Br+])C=C1 186 Strange valence at Br CN1[N-]OC(O)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[I+])C=C1 187 Strange valence at I CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[I+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 194 Strange valence at I CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[F+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 195 Strange valence at F CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Cl+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 200 Strange valence at Cl CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Br+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 201 Strange valence at Br Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[I+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 215 Strange valence at I Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[F+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 216 Strange valence at F Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Cl+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 220 Strange valence at Cl Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Br+])C=C3)N(CC3=C(O)O[N-]N3C)C2=S)cc1 221 Strange valence at Br Cc1ccc(-c2cc(=C3C=CC(=[Cl+])C=C3)nc3sc(=C(O)c4c(=O)o[n-][n+]4C)c([NH-])c23)cc1 240 Strange valence at Cl C[n+]1[n-]oc(=O)c1C(O)=c1sc2nc(=C3C=CC(=[Cl+])C=C3)ccc2c1[NH-] 244 Strange valence at Cl C[n+]1[n-]oc(=O)c1C(O)=c1sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3cccc(F)c3)c2c1[NH-] 255 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-] 262 Strange valence at Cl C[n+]1[n-]oc(=O)c1C(O)=c1sc2nc(=C3C=CC(=[Cl+])C=C3)cc(-c3ccc(F)cc3F)c2c1[NH-] 279 Strange valence at Cl CN1[N-]OC(O)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[F+])C=C1 292 Strange valence at F CN1[N-]OC(O)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[Cl+])C=C1 307 Strange valence at Cl CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[Cl+])C=C1 316 Strange valence at Cl CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[Br+])C=C1 317 Strange valence at Br CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[Br+])C=C1 332 Strange valence at Br CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[I+])C=C1 333 Strange valence at I CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[F+])C=C1 334 Strange valence at F CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)N=C1C=CC(=[Cl+])C=C1 336 Strange valence at Cl CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[Cl+])C=C1 367 Strange valence at Cl CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[Br+])C=C1 370 Strange valence at Br Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Cl+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 371 Strange valence at Cl Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Br+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 374 Strange valence at Br CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[I+])C=C1 377 Strange valence at I CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[F+])C=C1 383 Strange valence at F Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[I+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 384 Strange valence at I CCN1C(=O)C(CC(=O)N=C2C=CC(=[Cl+])C=C2)N(CC2=C(N=C(O)c3ccccc3)O[N-]N2C)C1=S 385 Strange valence at Cl CCN1C(=O)C(CC(=O)N=C2C=CC(=[Br+])C=C2)N(CC2=C(N=C(O)c3ccccc3)O[N-]N2C)C1=S 386 Strange valence at Br Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[F+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 388 Strange valence at F CCN1C(=O)C(CC(=O)N=C2C=CC(=[I+])C=C2)N(CC2=C(N=C(O)c3ccccc3)O[N-]N2C)C1=S 390 Strange valence at I CCN1C(=O)C(CC(=O)N=C2C=CC(=[F+])C=C2)N(CC2=C(N=C(O)c3ccccc3)O[N-]N2C)C1=S 391 Strange valence at F CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Cl+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 408 Strange valence at Cl CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Br+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 409 Strange valence at Br CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[I+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 410 Strange valence at I CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[F+])C=C3)N(CC3=C(N=C(O)c4ccccc4)O[N-]N3C)C2=S)cc1 411 Strange valence at F Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C4CC4)C(=O)C3CC(=O)N=C3C=CC(=[Br+])C=C3)N(C)[N-]O2)cc1 413 Strange valence at Br CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[I+])C=C1 416 Strange valence at I CN1[N-]OC(N=C(O)c2ccccc2)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[F+])C=C1 417 Strange valence at F Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C4CC4)C(=O)C3CC(=O)N=C3C=CC(=[I+])C=C3)N(C)[N-]O2)cc1 418 Strange valence at I Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C4CC4)C(=O)C3CC(=O)N=C3C=CC(=[F+])C=C3)N(C)[N-]O2)cc1 422 Strange valence at F CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Cl+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 435 Strange valence at Cl CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Br+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 436 Strange valence at Br CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[I+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 437 Strange valence at I CCOc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[F+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 438 Strange valence at F Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Cl+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 454 Strange valence at Cl Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[Br+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 455 Strange valence at Br Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[I+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 456 Strange valence at I Cc1ccc(N2C(=O)C(CC(=O)N=C3C=CC(=[F+])C=C3)N(CC3=C(NS(=O)(=O)c4ccc(C)cc4)O[N-]N3C)C2=S)cc1 457 Strange valence at F Cc1ccc(S(=O)(=O)NC2=C(CN3CCOC(CC(=O)N=C4C=CC(=[Cl+])C=C4)C3=O)N(C(C)C)[N-]O2)cc1 481 Strange valence at Cl Cc1ccc(S(=O)(=O)NC2=C(CN3CCOC(CC(=O)N=C4C=CC(=[Br+])C=C4)C3=O)N(C(C)C)[N-]O2)cc1 482 Strange valence at Br Cc1ccc(S(=O)(=O)NC2=C(CN3CCOC(CC(=O)N=C4C=CC(=[I+])C=C4)C3=O)N(C(C)C)[N-]O2)cc1 483 Strange valence at I CCN1C(=O)C(CC(=O)N=C2C=CC(=[F+])C=C2)N(CC2=C(NS(=O)(=O)c3ccc(C)cc3)O[N-]N2C)C1=S 486 Strange valence at F Cc1ccc(S(=O)(=O)NC2=C(CN3CCOC(CC(=O)N=C4C=CC(=[F+])C=C4)C3=O)N(C(C)C)[N-]O2)cc1 489 Strange valence at F Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C4CC4)C(=O)C3CC(=O)N=C3C=CC(=[Cl+])C=C3)N(C)[N-]O2)cc1 499 Strange valence at Cl COC(=O)CC[S](C)C(=O)OC 343 Strange valence at S COC(=O)c1ccccc1[S](C(=O)OC)c1ccc(Cl)cc1 118 Strange valence at S NC[SH](=O)(O)O 89 Strange valence at S NCC[SH](=O)(O)O 270 Strange valence at S C[SH](=O)(O)n1ccc(CCN)c1 246 Strange valence at S CC(N)c1ccn([SH](C)(=O)O)c1 247 Strange valence at S CNCc1ccn([SH](C)(=O)O)c1 248 Strange valence at S O=[N+](N=C1N[N]N=C1c1ccccc1)c1nonc1-c1ccccc1 131 Error in aromatic system CN1CC[SH](=O)(O)C(CC#N)C1 194 Strange valence at S O=C(O)C1=CC=C[S]1O 93 Strange valence at S CCCC[SH](=O)(O)C1CS(=O)(=O)C/C1=N\O 450 Strange valence at S [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])NCc1ccco1)[n+]1cccc(CO)c1 15 Strange valence at F [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])NCc1ccco1)[n+]1ccccc1 16 Strange valence at F COc1ccc(N=C([S-])C(C(O)=C2C=CC(=[Br+])C=C2)=[N+]2C=C(CO)C=C[CH-]2)cc1 42 Strange valence at Br COc1ccc(N=C([S-])C(C(O)=C2C=CC(=[Br+])C=C2)=[N+]2C=CC=C[CH-]2)cc1 43 Strange valence at Br Cc1cc(C)cc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2cccc(CO)c2)c1 65 Strange valence at F Cc1cc(C)cc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2ccccc2)c1 93 Strange valence at F Cc1ccc(C)c(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2cccc(CO)c2)c1 255 Strange valence at F Cc1ccc(C)c(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2ccccc2)c1 256 Strange valence at F Cc1ccc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2cccc(CO)c2)c(C)c1 348 Strange valence at F [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])Nc1cccc(C(F)(F)F)c1)[n+]1cccc(CO)c1 371 Strange valence at F [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])Nc1cccc(C(F)(F)F)c1)[n+]1ccccc1 398 Strange valence at F [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])Nc1ccccc1)[n+]1cccc(CO)c1 493 Strange valence at F C[SH](=O)(O)n1ccc(CCC(=O)O)c1 24 Strange valence at S Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C)C(=O)C3CC(=O)N=C3C=CC(=[Cl+])C=C3)N(C)[N-]O2)cc1 1 Strange valence at Cl Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C)C(=O)C3CC(=O)N=C3C=CC(=[Br+])C=C3)N(C)[N-]O2)cc1 2 Strange valence at Br Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C)C(=O)C3CC(=O)N=C3C=CC(=[I+])C=C3)N(C)[N-]O2)cc1 6 Strange valence at I Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(C)C(=O)C3CC(=O)N=C3C=CC(=[F+])C=C3)N(C)[N-]O2)cc1 7 Strange valence at F Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(c4ccccc4)C(=O)C3CC(=O)N=C3C=CC(=[Cl+])C=C3)N(C)[N-]O2)cc1 29 Strange valence at Cl Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(c4ccccc4)C(=O)C3CC(=O)N=C3C=CC(=[Br+])C=C3)N(C)[N-]O2)cc1 30 Strange valence at Br Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(c4ccccc4)C(=O)C3CC(=O)N=C3C=CC(=[I+])C=C3)N(C)[N-]O2)cc1 31 Strange valence at I Cc1ccc(S(=O)(=O)NC2=C(CN3C(=S)N(c4ccccc4)C(=O)C3CC(=O)N=C3C=CC(=[F+])C=C3)N(C)[N-]O2)cc1 32 Strange valence at F CCN1C(=O)C(CC(=O)N=C2C=CC(=[Cl+])C=C2)N(CC2=C(NS(=O)(=O)c3ccc(C)cc3)O[N-]N2C)C1=S 40 Strange valence at Cl CCN1C(=O)C(CC(=O)N=C2C=CC(=[Br+])C=C2)N(CC2=C(NS(=O)(=O)c3ccc(C)cc3)O[N-]N2C)C1=S 50 Strange valence at Br CCN1C(=O)C(CC(=O)N=C2C=CC(=[I+])C=C2)N(CC2=C(NS(=O)(=O)c3ccc(C)cc3)O[N-]N2C)C1=S 55 Strange valence at I COc1ccc(-[n+]2[n-]oc(=O)c2C(O)=c2sc3nc(=C4C=CC(=[Cl+])C=C4)cc(-c4cccc(F)c4)c3c2[NH-])cc1 57 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 58 Strange valence at Cl CC(C)(C)[PH-](C(C)(C)C)C(C)(C)C 241 Strange valence at P Cc1c(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=[Cl+])c(=[Cl+])n(-c2ccccc2)n1C 226 Strange valence at Cl CC1c2ccccc2C(C)(C)CC(C)(C)[NH+]1[O-] 332 Strange valence at N CC(=O)Cc1ccn([SH](C)(=O)O)c1 121 Strange valence at S C[SH](=O)(O)n1cc(Br)cc1CCN 216 Strange valence at S CC(N)c1cc(Br)cn1[SH](C)(=O)O 217 Strange valence at S CNCc1cc(Br)cn1[SH](C)(=O)O 218 Strange valence at S C[SH](=O)(O)n1cc(CCN)cc1Br 219 Strange valence at S CC(N)c1cc(Br)n([SH](C)(=O)O)c1 220 Strange valence at S CNCc1cc(Br)n([SH](C)(=O)O)c1 221 Strange valence at S C[SH](=O)(O)n1c(Br)ccc1CCN 222 Strange valence at S CC(N)c1ccc(Br)n1[SH](C)(=O)O 223 Strange valence at S CNCc1ccc(Br)n1[SH](C)(=O)O 224 Strange valence at S C[SH](=O)(O)n1cc(Br)cc1C(=O)O 341 Strange valence at S C[SH](=O)(O)n1cc(C(=O)O)cc1Br 342 Strange valence at S C[SH](=O)(O)n1c(Br)ccc1C(=O)O 343 Strange valence at S CC(O)c1ccc(Br)n1[SH](C)(=O)O 411 Strange valence at S CC(O)c1cc(Br)n([SH](C)(=O)O)c1 412 Strange valence at S CC(O)c1cc(Br)cn1[SH](C)(=O)O 413 Strange valence at S CC[I]C(F)(F)C(=O)[O-] 123 Strange valence at I COC1=CC(CNn2nn[nH]c2=N)=CC(=[Br+])C1=[O+]C 246 Strange valence at Br N=c1[nH]nnn1NCC1=[O+]C(=C2C=CC(=[Cl+])C(C(=O)O)=C2)C=C1 391 Strange valence at Cl NC1=[N+]([O-])[N]C=C[N+]1=O 101 Error in aromatic system CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[Br+])C=C1 17 Strange valence at Br CN1[N-]OC(=O)C1=C(O)N=C1C=CC(=[Cl+])C=C1 29 Strange valence at Cl [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])Nc1cccc2ccccc12)[n+]1cccc(CO)c1 61 Strange valence at F C=CCNC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1cccc(CO)c1 81 Strange valence at F C=CCNC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1ccccc1 82 Strange valence at F [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])Nc1cccc2ccccc12)[n+]1ccccc1 83 Strange valence at F C[SH](=O)(O)n1ccc(C(=O)O)c1 173 Strange valence at S CC(O)c1ccn([SH](C)(=O)O)c1 486 Strange valence at S O=S(=O)(Cl)N=C(O)/C1=C/CCCC\C=C/1 497 SMILES ERROR - Inconsistent EZ stereo information CC(C)(C)OC(=O)N1CC[SH](=O)(O)C(CC#N)C1 35 Strange valence at S [O-]C(=C1C=CC(=[F+])C=C1)C(=C([S-])Nc1ccccc1)[n+]1ccccc1 16 Strange valence at F CC1=C[N+](=C(C([S-])=Nc2ccc(OC(F)F)cc2)C(O)=C2C=CC(=[Br+])S2)[CH-]C=C1 145 Strange valence at Br CN(C)c1ccc(CN[N+]2=C(N)N=[N+]=N2)cc1 232 Strange valence at N NC1=[N+](NCc2ccc(Cl)cc2)N=[N+]=N1 247 Strange valence at N COc1cccc(CN[N+]2=C(N)N=[N+]=N2)c1 286 Strange valence at N COc1ccc(CN[N+]2=C(N)N=[N+]=N2)cc1 287 Strange valence at N CC(=O)C(C(C)=O)[SH](=O)(O)Cc1cccc(CN)c1 137 Strange valence at S O[B-](O)=C1C=CC=C1 460 Strange valence at B CC(=O)c1ccn([SH](C)(=O)O)c1 392 Strange valence at S CC1=CC(=[Br+])C=CC1=NC(=O)CN1C=CC(=C(O)c2ccccc2)C=C1 384 Strange valence at Br O=C(CN1C=CC(=C(O)c2ccccc2)C=C1)N=C1C=CC(=[Br+])C=C1 436 Strange valence at Br COc1ccc2ccc(=O)oc2c1CCC(C)(C)[S](C)C 463 Strange valence at S O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[SH](=O)(O)O)c(S(=O)(=O)O)c1 482 Strange valence at S NC1=[N+](NCc2ccc(F)cc2)N=[N+]=N1 225 Strange valence at N CCOc1cc(CN[N+]2=C(N)N=[N+]=N2)cc([N+](=O)[O-])c1OCC 379 Strange valence at N Cc1nn(Cc2ccccc2)c(C)c1[I]c1ccccc1 345 Strange valence at I CC(=O)c1cc(Cl)n([SH](C)(=O)O)c1 24 Strange valence at S CC(=O)c1ccc(Cl)n1[SH](C)(=O)O 25 Strange valence at S COC(=O)CC1C[SH](=O)(O)CCC1O 476 Strange valence at S CCOc1cccc(C2=C(C(=O)O)SN[N]2)c1 138 Error in aromatic system COc1ccc(C)cc1C1=C(C(=O)O)SN[N]1 141 Error in aromatic system C[SH](=O)(O)n1c(Br)ccc1C=O 406 Strange valence at S C[SH](=O)(O)n1cc(C=O)cc1Br 407 Strange valence at S C[SH](=O)(O)n1cc(Br)cc1C=O 408 Strange valence at S COc1ccc(NC(=O)[S](C)CC(=O)O)cc1 58 Strange valence at S C[S](CC(=O)O)C(=O)Nc1ccc(F)cc1 460 Strange valence at S O=C(O)C1=C(c2c[nH]c3ccccc23)[N]NS1 446 Error in aromatic system C[SH](=O)(O)n1cc(C(=O)CN)cc1Cl 278 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1C(=O)CN 279 Strange valence at S CNCCc1cc(Cl)n([SH](C)(=O)O)c1 333 Strange valence at S CNCCc1ccc(Cl)n1[SH](C)(=O)O 334 Strange valence at S C[SH](=O)(O)n1ccc(CC(=O)O)c1 313 Strange valence at S O=C(O)C[S](CC(=O)O)/C(=N/C1C=CCCC1)c1ccccc1 125 Strange valence at S C1=Nc2nc[nH]c2S[N]1 154 Error in aromatic system NCC[P](=O)(=O)O 266 Strange valence at P COc1cccc(NC([S-])=C(C([O-])=C2C=CC(=[F+])C=C2)[n+]2cccc(C)c2)c1 275 Strange valence at F Cc1cccc(C)c1NC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1ccc(C(C)(C)C)cc1 11 Strange valence at F Cc1ccc[n+](C(=C([S-])Nc2cccc(Cl)c2C)C([O-])=C2C=CC(=[F+])C=C2)c1 44 Strange valence at F Cc1c(Cl)cccc1NC([S-])=C(C([O-])=C1C=CC(=[F+])C=C1)[n+]1ccc(C(C)(C)C)cc1 45 Strange valence at F O=C(CCl)[S]1CCNC1 161 Strange valence at S C[S](C)CCl 330 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1CO 442 Strange valence at S C[SH](=O)(O)n1cc(CO)cc1Cl 443 Strange valence at S C[SH](=O)(O)CC1(C(=O)O)CCCC1 263 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1C=O 203 Strange valence at S C[SH](=O)(O)n1cc(C=O)cc1Cl 204 Strange valence at S O=C(O)C1=C(c2ccc3c(c2)OCO3)[N]NS1 246 Error in aromatic system NCC1=CNC(=C2C=C[N]C=C2)S1 374 Error in aromatic system NC1=[N+](NCc2ccco2)N=[N+]=N1 272 Strange valence at N C[SH](=O)(O)n1cc(Br)cc1CN 488 Strange valence at S C[SH](=O)(O)n1cc(CN)cc1Br 489 Strange valence at S C[SH](=O)(O)n1c(Br)ccc1CN 490 Strange valence at S O=[N+]1[N]N=c2ccccc2=C1O 496 Error in aromatic system CCOC(=O)c1cc([SH](=O)(O)Cl)n[nH]1 168 Strange valence at S OC(CSC1=NN(CC(O)=Nc2c(Cl)cccc2Cl)C(=C2C=CC(=[Br+])C=C2)O1)=Nc1c(Cl)cccc1Cl 69 Strange valence at Br O=[SH](O)(NCCN=C(O)c1cc2ccccc2[nH]1)c1ccc(Br)cc1 238 Strange valence at S Cn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 391 Strange valence at S CCn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 392 Strange valence at S CC(C)n1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 393 Strange valence at S CCCn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 394 Strange valence at S O=[SH](O)(Cl)c1ccc(-c2cnn(CC3CCC3)c2)cc1 395 Strange valence at S CC(C)Cn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 396 Strange valence at S CCCCn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 397 Strange valence at S COCCn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 398 Strange valence at S CCCCCn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 399 Strange valence at S O=[SH](O)(Cl)c1ccc(-c2cnn(CC3CC3)c2)cc1 400 Strange valence at S O=[SH](O)(Cl)c1ccc(-c2cnn(CCF)c2)cc1 401 Strange valence at S CC(C)CCn1cc(-c2ccc([SH](=O)(O)Cl)cc2)cn1 402 Strange valence at S O=C(O)c1ccc(N2N=C(O)CCC2=C2C=CC(=[Cl+])C=C2)cc1 77 Strange valence at Cl O=C(O)c1cccc(N2N=C(O)CCC2=C2C=CC(=[F+])C=C2)c1 338 Strange valence at F O=C(O)c1cccc(N2N=C(O)CCC2=C2C=CC(=[Br+])C=C2)c1 366 Strange valence at Br O=C(O)C1=C(c2ccccc2F)[N]NS1 107 Error in aromatic system O=C(O)C1=C(c2cccc(F)c2)[N]NS1 109 Error in aromatic system OC(CSC1=NN(CC(O)=Nc2c(Cl)cccc2Cl)C(=C2C=CC(=[Br+])C=C2)O1)=Nc1c(Cl)cccc1Cl 223 Strange valence at Br O=C(CS)N1C(=C2C=CC(=[Cl+])C=C2)N(C(=O)CS)c2ccccc21 319 Strange valence at Cl CN1[N-]OC(O)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[F+])C=C1 340 Strange valence at F CN1[N-]OC(O)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[Cl+])C=C1 357 Strange valence at Cl CN1[N-]OC(O)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[Br+])C=C1 380 Strange valence at Br CN1[N-]OC(O)=C1CN1C(=S)N(C2CC2)C(=O)C1CC(=O)N=C1C=CC(=[I+])C=C1 381 Strange valence at I CN1[N-]OC(O)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[Cl+])C=C1 385 Strange valence at Cl CCN1C(=O)C(CC(=O)N=C2C=CC(=[Cl+])C=C2)N(CC2=C(O)O[N-]N2C)C1=S 386 Strange valence at Cl CCN1C(=O)C(CC(=O)N=C2C=CC(=[Br+])C=C2)N(CC2=C(O)O[N-]N2C)C1=S 387 Strange valence at Br CN1[N-]OC(O)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[Br+])C=C1 392 Strange valence at Br CN1[N-]OC(O)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[I+])C=C1 393 Strange valence at I CCN1C(=O)C(CC(=O)N=C2C=CC(=[I+])C=C2)N(CC2=C(O)O[N-]N2C)C1=S 394 Strange valence at I CCN1C(=O)C(CC(=O)N=C2C=CC(=[F+])C=C2)N(CC2=C(O)O[N-]N2C)C1=S 395 Strange valence at F CN1[N-]OC(O)=C1CN1C(=S)N(C)C(=O)C1CC(=O)N=C1C=CC(=[F+])C=C1 400 Strange valence at F O=C(CC1OCCN(CC2=C(O)O[N-]N2c2ccccc2)C1=O)N=C1C=CC(=[I+])C=C1 452 Strange valence at I COc1ccc(N2[N-]OC(O)=C2CN2CCOC(CC(=O)N=C3C=CC(=[Cl+])C=C3)C2=O)cc1 458 Strange valence at Cl COc1ccc(N2[N-]OC(O)=C2CN2CCOC(CC(=O)N=C3C=CC(=[Br+])C=C3)C2=O)cc1 459 Strange valence at Br COc1ccc(N2[N-]OC(O)=C2CN2CCOC(CC(=O)N=C3C=CC(=[I+])C=C3)C2=O)cc1 466 Strange valence at I COc1ccc(N2[N-]OC(O)=C2CN2CCOC(CC(=O)N=C3C=CC(=[F+])C=C3)C2=O)cc1 467 Strange valence at F N#Cc1ccc(/C2=N/Nc3ccccc3OCCCOc3ccccc3/N=N/2)cc1 120 SMILES ERROR - Inconsistent EZ stereo information C/C1=N/OCO/N=C(C)/C(C)=N/OCO/N=C(C)/C(C)=N/OCO/N=C/1C 167 SMILES ERROR - Inconsistent EZ stereo information O=[SH](O)(Nc1cccc2cccnc12)c1ccccc1 234 Strange valence at S Nc1cncc2c1C[SH](=O)(O)CC2 238 Strange valence at S CCn1c2cccc(=[Cl+])c-2nc2ccccc21 442 Strange valence at Cl Cc1c(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=[Cl+])c(=[Cl+])n(-c2ccccc2)n1C 217 Strange valence at Cl C[SH](=O)(O)n1cc(C(=O)O)cc1Cl 425 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1C(=O)O 426 Strange valence at S CC(O)c1ccc(Cl)n1[SH](C)(=O)O 474 Strange valence at S CC(O)c1cc(Cl)n([SH](C)(=O)O)c1 475 Strange valence at S O=C(O)c1ccc(N2N=C(O)CCC2=C2C=CC(=[I+])C=C2)cc1 480 Strange valence at I O=C(O)c1ccc(N2N=C(O)CCC2=C2C=CC(=[Br+])C=C2)cc1 493 Strange valence at Br O=C(O)C1=C(C2CCCC2)[N]NS1 74 Error in aromatic system [CH+]=C(N)SCCc1cc2ccc(OC)cc2nc1Cl 455 Strange valence at C COc1cccc2c1C(=O)[NH+]([O-])C2=O 129 Strange valence at N Cn1c2ccc(Br)cc2cc2nc3c(cc4cc(=[Br+])ccc4[n+]3C)nc21 284 Strange valence at Br Cn1cnc(=[Cl+])c2nc3c(nc21)c(Cl)nc[n+]3C 286 Strange valence at Cl Cn1c2ccccc2c(=[Cl+])c2nc3c(nc21)c(Cl)c1ccccc1[n+]3C 287 Strange valence at Cl Cc1ccc([S](O)/N=C/c2ccccc2)cc1 351 Strange valence at S C[SH](=O)(O)n1ccc(Br)c1 146 Strange valence at S O=[SH](O)(Cl)c1cccc(F)c1 321 Strange valence at S O=[SH](O)(Cl)c1cccc(Cl)c1 323 Strange valence at S O=[SH](O)(Cl)c1cccc(C(F)(F)F)c1 373 Strange valence at S CC1=C(C(=O)O)SN[N]1 437 Error in aromatic system Cc1c(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=[Cl+])c(=[Cl+])n(-c2ccccc2)n1C 5 Strange valence at Cl C[SH](=O)(O)n1c(Br)ccc1C1(N)CC1 93 Strange valence at S C[SH](=O)(O)n1cc(C2(N)CC2)cc1Br 94 Strange valence at S C[SH](=O)(O)n1cc(Br)cc1C1(N)CC1 95 Strange valence at S COc1ccccc1C1=C(C(=O)O)SN[N]1 52 Error in aromatic system COc1cccc(C2=C(C(=O)O)SN[N]2)c1 53 Error in aromatic system C[SH](=O)(O)n1ccc(C2(N)CC2)c1 281 Strange valence at S CC(CC(=O)O)c1ccn([SH](C)(=O)O)c1 311 Strange valence at S CC(Cc1ccn([SH](C)(=O)O)c1)C(=O)O 312 Strange valence at S COc1ccc(C2=C(C(=O)O)SN[N]2)cc1OC 47 Error in aromatic system COc1ccc(OC)c(C2=C(C(=O)O)SN[N]2)c1 48 Error in aromatic system COc1ccc(C2=C(C(=O)O)SN[N]2)c(OC)c1 49 Error in aromatic system COc1cc(OC)cc(C2=C(C(=O)O)SN[N]2)c1 50 Error in aromatic system C[SH](=O)(O)n1ccc(CC#N)c1 64 Strange valence at S CN1CC[SH](=O)(O)C(C2(N)CC2)C1 254 Strange valence at S CCC1=C(C(=O)O)SN[N]1 344 Error in aromatic system COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[Br+])C=C2)cc1 82 Strange valence at Br COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[F+])C=C2)cc1 87 Strange valence at F COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[I+])C=C2)cc1 94 Strange valence at I COc1ccc(N2[N-]OC(O)=C2SCCC(=O)N=C2C=CC(=[Cl+])C=C2)cc1 98 Strange valence at Cl O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[F+])C=C1 132 Strange valence at F O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[I+])C=C1 139 Strange valence at I CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[Br+])C=C1 169 Strange valence at Br CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[Cl+])C=C1 173 Strange valence at Cl O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Cl+])C=C1 175 Strange valence at Cl CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[F+])C=C1 203 Strange valence at F CN1[N-]OC(O)=C1SCCC(=O)N=C1C=CC(=[I+])C=C1 212 Strange valence at I O=C(CCSC1=C(O)O[N-]N1c1ccccc1)N=C1C=CC(=[Br+])C=C1 257 Strange valence at Br CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1 416 Strange valence at F CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Cl+])C=C3)N(C)c3ccccc32)C1 424 Strange valence at Cl CN(C)c1ccc(/C=C2\CCCC3=C2OC(=C2C(F)=C(F)C(=[F+])C(F)=C2F)C=C3c2ccccc2)cc1 425 Strange valence at F C[SH](=O)(O)n1ccc(C2CCCCN2)c1 463 Strange valence at S C[SH](=O)(O)n1ccc(C2CCCNC2)c1 464 Strange valence at S C[SH](=O)(O)n1ccc(C2CCNCC2)c1 465 Strange valence at S COc1ccc(C2=C(C(=O)O)SN[N]2)cc1F 418 Error in aromatic system COc1ccc(F)cc1C1=C(C(=O)O)SN[N]1 419 Error in aromatic system Cc1cc(C)c(C2=C(C(=O)O)SN[N]2)c(C)c1 196 Error in aromatic system CCC[S](O)c1ccc2nc(N=C(O)OC)[nH]c2c1 51 Strange valence at S CN1CC(C(=O)O)[SH](=O)(O)CC1=O 80 Strange valence at S C[SH](=O)(O)n1ccc(CC(N)C(=O)O)c1 201 Strange valence at S C[SH](=O)(O)n1ccc(C(N)CC(=O)O)c1 202 Strange valence at S C[SH](=O)(O)n1ccc(C(CN)C(=O)O)c1 203 Strange valence at S CCOC1=CC(CNn2nn[nH]c2=N)=CC(=[Br+])C1=[O+]C 284 Strange valence at Br C[S](C1=NC(C)(C)Cc2ccccc21)c1ccccc1C(=O)O 487 Strange valence at S O=C(CS)N1C(=C2C=CC(=[Cl+])C=C2)N(C(=O)CS)c2ccccc21 457 Strange valence at Cl C[SH](=O)(O)n1c(Cl)ccc1CC#N 46 Strange valence at S C[SH](=O)(O)n1cc(CC#N)cc1Cl 47 Strange valence at S Cc1ccccc1C1=C(C(=O)O)SN[N]1 409 Error in aromatic system Cc1cccc(C2=C(C(=O)O)SN[N]2)c1 410 Error in aromatic system C[SH](=O)(O)n1ccc(C2CCNC2)c1 64 Strange valence at S C[SH](=O)(O)n1ccc(C2CCCN2)c1 65 Strange valence at S N[SH](=O)(O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 361 Strange valence at S CCN(CC)C1=CC(=C2C=CC(=[Cl+])C=C2)Oc2ccccc21 35 Strange valence at Cl CC1CCN(C2=CC(=C3C=CC(=[Cl+])C=C3)Oc3ccccc32)CC1 36 Strange valence at Cl [Cl+]=C1C=CC(=C2C=C(N3CCOCC3)c3ccccc3O2)C=C1 60 Strange valence at Cl CN1CCN(C2=CC(=C3C=CC(=[Cl+])C=C3)Oc3ccccc32)CC1 61 Strange valence at Cl CCN1CCN(C2=CC(=C3C=CC(=[Cl+])C=C3)Oc3ccccc32)CC1 90 Strange valence at Cl O=Cc1cc(Br)ccc1O[SH](=O)(O)c1ccccc1 332 Strange valence at S O=C(O)C1=C[NH+]([O-])c2ccccc2C1=O 101 Strange valence at N COc1ccc2c(c1)[NH+]([O-])C=C(C(=O)O)C2=O 104 Strange valence at N CCOC(=O)C1=C[NH+]([O-])c2ccccc2C1=O 105 Strange valence at N CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1 116 Strange valence at F CN1CC(C=O)[SH](=O)(O)CC1=O 384 Strange valence at S O=[SH]1(O)CCc2cncc(Br)c2C1 391 Strange valence at S C[SH](=O)(O)n1cc(C(O)CN)cc1Cl 235 Strange valence at S C[SH](=O)(O)n1cc(C(N)CO)cc1Cl 236 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1C(O)CN 237 Strange valence at S C[SH](=O)(O)n1c(Cl)ccc1C(N)CO 238 Strange valence at S C[SH](=O)(O)n1c(Br)ccc1CO 258 Strange valence at S C[SH](=O)(O)n1cc(CO)cc1Br 259 Strange valence at S C[SH](=O)(O)n1cc(Br)cc1CO 260 Strange valence at S O=C(/C1=C/C=C\C=C\C=C/1)c1ccccc1 351 SMILES ERROR - Inconsistent EZ stereo information C[SH](=O)(O)n1c(Cl)ccc1C1(N)CC1 63 Strange valence at S C[SH](=O)(O)n1cc(C2(N)CC2)cc1Cl 64 Strange valence at S O=C(O)C1=C(c2ccccn2)[N]NS1 419 Error in aromatic system O=C(O)C1=C(c2cccnc2)[N]NS1 420 Error in aromatic system C[SH](C)(=O)N(CC(O)=NCc1ccc2c(c1)OCCCO2)Cc1c(F)cccc1Cl 442 Strange valence at S C[n+]1[cH-]ccc2cc(=NS(=O)(=O)c3ccc(N)cc3)ccc1-2 435 Error in aromatic system C[n+]1[cH-]ccc2cc(=NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc1-2 436 Error in aromatic system O=C1CCCC2=C1SC(=C1C=C[N]C=C1)N2 472 Error in aromatic system O=C(CC1OCCN(CC2=C(O)O[N-]N2c2ccccc2)C1=O)N=C1C=CC(=[F+])C=C1 356 Strange valence at F CN1[N-]OC(O)=C1CN1CCOC(CC(=O)N=C2C=CC(=[Cl+])C=C2)C1=O 403 Strange valence at Cl CN1[N-]OC(O)=C1CN1CCOC(CC(=O)N=C2C=CC(=[Br+])C=C2)C1=O 451 Strange valence at Br COC(O)=C1C=C[CH-][N+](CC(=O)N=C2C=CC(=[O+]C(F)F)C=C2)=C1 282 Error in aromatic system C[SH](=O)(O)n1c(Br)ccc1CC#N 461 Strange valence at S C[SH](=O)(O)n1cc(CC#N)cc1Br 462 Strange valence at S C[SH](=O)(O)n1cc(Br)cc1CC#N 463 Strange valence at S CN1CC[SH](=O)(O)C(C=O)C1 224 Strange valence at S N=C1[N]N=C(N)[N+](=O)N1 123 Error in aromatic system Cc1ccc(=[Cl+])n(-c2ccccc2)c1 229 Strange valence at Cl CC1=N[S](C)C(N)=C1N 335 Strange valence at S O=C(O)C1=C(c2ccccc2)[N]NS1 386 Error in aromatic system ClC/C1=C/C=C\C=C\C=C/1 58 SMILES ERROR - Inconsistent EZ stereo information [Cl+]=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1 216 Strange valence at Cl COc1ccc(N2[N-]OC(O)=C2SCC(=O)N=C2C=CC(=[Cl+])C=C2)cc1 13 Strange valence at Cl CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Cl+])C=C1 65 Strange valence at Cl CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Cl+])C=C1 93 Strange valence at Cl CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[Cl+])C=C1 94 Strange valence at Cl CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[Br+])C=C1 113 Strange valence at Br CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[Br+])C=C1 118 Strange valence at Br CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[Br+])C=C1 119 Strange valence at Br CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[I+])C=C1 147 Strange valence at I COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[Br+])C=C2)cc1 165 Strange valence at Br COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[Cl+])C=C2)cc1 169 Strange valence at Cl COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[F+])C=C2)cc1 228 Strange valence at F COc1ccc(N2[N-]OC(O)=C2SC(C)C(=O)N=C2C=CC(=[I+])C=C2)cc1 235 Strange valence at I CC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[F+])C=C1 274 Strange valence at F CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[F+])C=C1 470 Strange valence at F CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[F+])C=C1 471 Strange valence at F CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[F+])C=C1 478 Strange valence at F CCC(SC1=C(O)O[N-]N1C)C(=O)N=C1C=CC(=[I+])C=C1 479 Strange valence at I CCC(SC1=C(O)O[N-]N1c1ccccc1)C(=O)N=C1C=CC(=[I+])C=C1 486 Strange valence at I CCC(SC1=C(O)O[N-]N1c1ccc(OC)cc1)C(=O)N=C1C=CC(=[I+])C=C1 487 Strange valence at I CC(C)CC1=C(C(=O)O)SN[N]1 491 Error in aromatic system CN1CC[SH](=O)(O)C(C(=O)O)C1 265 Strange valence at S CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Br+])C=C3)N(C)c3ccccc32)C1 163 Strange valence at Br O=C(CC1OCCN(CC2=C(O)O[N-]N2c2ccccc2)C1=O)N=C1C=CC(=[Cl+])C=C1 481 Strange valence at Cl