CCOC(=O)c1ccn(C)c(=[Br+])c1 430 Strange valence at Br Cc1cc(C)[n+]([N-]C(O)=c2[n-]c3ccc(S(#[NH+])(O)O)cc3c2=C2C=CC(=[F+])C=C2)c(C)c1 418 Strange valence at F Cn1c(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5c[n+]6c(n5C)=CC=C[CH-]6)C=C4)cc3)C=C2)c[n+]2c1=CC=C[CH-]2 342 Error in aromatic system OC(N=C1C=CC(=[Br+])C=C1)=C1C=CN(CCCCCCCCCCN2C=CC(=C(O)N=C3C=CC(=[Br+])C=C3)C=C2)C=C1 128 Strange valence at Br C/C1=C/[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC[C@@H]2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(O)=NC/C=C/1 217 SMILES ERROR - Inconsistent EZ stereo information [Br+]=C1C=CC(=CC=C2C=CN(Cc3ccccc3)C=C2)C=C1 488 Strange valence at Br CN1C=CC(=C2C=CC(=[F+])C=C2)C=C1 390 Strange valence at F CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccn(C)c(=[F+])c2)n2c1CCC2 427 Strange valence at F C[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)c[nH+]3)ccc1-2 96 Error in aromatic system O=C(CCCN1C=CC(=C2C=CC(=[Cl+])C=C2)C=C1)c1ccc(F)cc1 238 Strange valence at Cl CN1C(=C=C=c2ccc(=C3C=CC(=[Cl+])C=C3)cc2)C=CC=C1C#Cc1ccc(-c2ccc(Cl)cc2)cc1 327 Strange valence at Cl OC(Cn1c(=[Cl+])ccc2ccccc21)c1ccccc1 433 Strange valence at Cl COC(=O)/C1=C(\O)C[C@@]2(C)CC[C@@H](C(=O)OC)C2C\C=C/1C(=O)OC 383 SMILES ERROR - Inconsistent EZ stereo information Cn1cccc(-c2c3ccc(n3)c(-c3ccc[n+](C)c3F)c3ccc([nH]3)c(-c3cccn(C)c3=[F+])c3ccc(n3)c(-c3ccc[n+](C)c3F)c3ccc2[nH]3)c1=[F+] 373 Strange valence at F CC1=N[N]SC1=C[N+](=O)C(C)(C)C 88 Error in aromatic system CN1CCc2cn(C)c3c(O)c4c(c1c23)=C(c1ccc(O)cc1)C=[N+]=4 258 Strange valence at N [Br+]=C1C=CC(=C2N(c3ccccn3)c3ccccc3N2c2ccccn2)C=C1 472 Strange valence at Br Cc1ccc(=[Cl+])n(C)c1 59 Strange valence at Cl OC(N=C1C=CC(=[Cl+])C=C1)=C1C=CN(CCCCCCCCCCN2C=CC(=C(O)N=C3C=CC(=[Cl+])C=C3)C=C2)C=C1 48 Strange valence at Cl Cc1cc(C)[n+]([N-]C(O)=c2[n-]c3ccc(S(#[NH+])(O)O)cc3c2=C2C=CC(=[F+])C=C2)c(C)c1 226 Strange valence at F CC[n+]1[cH-]ccc2cc(=NC(O)=C3C=CC(=[NH+]C(=O)c4ccc5c(ccc[n+]5CC)c4)C=C3)ccc1-2 475 Error in aromatic system CCCC[n+]1[cH-]ccc2cc(=NC(O)=C3C=CC(=[NH+]C(=O)c4ccc5c(ccc[n+]5CCCC)c4)C=C3)ccc1-2 476 Error in aromatic system CCCCCC[n+]1[cH-]ccc2cc(=NC(O)=C3C=CC(=[NH+]C(=O)c4ccc5c(ccc[n+]5CCCCCC)c4)C=C3)ccc1-2 477 Error in aromatic system C[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5C)c4)c[nH+]3)ccc1-2 478 Error in aromatic system CC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)c[nH+]3)ccc1-2 479 Error in aromatic system CCC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)c[nH+]3)ccc1-2 480 Error in aromatic system CCCC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)c[nH+]3)ccc1-2 481 Error in aromatic system CCCCC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCCC)c4)c[nH+]3)ccc1-2 482 Error in aromatic system [N-]=N[N+]#SCCOc1ccc(Oc2ccccc2)cc1 385 Strange valence at S CC1(C)OC(C)(C)C2=C1[N]N=C(c1ccc([N+](=O)[O-])cc1)[N+]2=O 360 Error in aromatic system CC1(C)OC(C)(C)C2=C1[N]N=C(c1ccc(Cl)cc1)[N+]2=O 471 Error in aromatic system CC[C@]1(O)C[C@H]2CN(CCC3=C([N]c4ccccc43)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=N)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 410 Error in aromatic system CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccc(=[F+])n(C)c2)n2c1CCC2 234 Strange valence at F Cc1cc(C)[n+]([N-]C(O)=c2[n-]c3ccc(S(#[NH+])(O)O)cc3c2=C2C(F)=C(F)C(=[F+])C(F)=C2F)c(C)c1 226 Strange valence at F CC(=O)[NH+]=C1C=CC(=c2c[n+]3c(n2C)=CC=C[CH-]3)C=C1 365 Error in aromatic system C[n+]1ccc(CCC(=O)OCCC/C2=C/Nc3ccccc3/N=C/C(CCCOC(=O)CCc3cc[n+](C)cc3)=C/Nc3ccccc3/N=C/2)cc1 161 SMILES ERROR - Inconsistent EZ stereo information N#[N+]N=c1cc(C(=O)O)[cH-][n+]([C@H]2O[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)c1 395 Error in aromatic system COC(=O)/C1=C/CCCN(C(c2ccccc2)c2ccccc2)\C=C/1C(=O)OC 285 SMILES ERROR - Inconsistent EZ stereo information CN(C)C(=O)Oc1cccc(-c2cn3c(=[Cl+])cccc3n2C)c1 280 Strange valence at Cl CCOC(=O)c1ccn(C)c(=[F+])c1 322 Strange valence at F CC1=c2c(ccc3c2=NO[N+]3=O)[N]N=C1 32 Error in aromatic system OC(N=C1C=CC(=[F+])C=C1)=C1C=CN(CCCCCCCCCCN2C=CC(=C(O)N=C3C=CC(=[F+])C=C3)C=C2)C=C1 220 Strange valence at F COc1ccc(C2=N[N]C3=C([N+]2=O)C(C)(C)OC3(C)C)cc1 281 Error in aromatic system CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C1=N[N]N=N1 419 Error in aromatic system COC(=O)c1cc2c(s1)C(=O)C(Cl)=C(n1ccc(=[Cl+])cc1)C2=O 382 Strange valence at Cl CC1=C(N=C(O)N=C2C=CC(=[Br+])C=C2)S[N-]N1C 191 Strange valence at Br CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3ccc4ccccc4c3N2C)C=C1 179 Error in aromatic system CCOC(=O)c1ccc2c(c1)C1=C(CCO1)C(=C1C=CC(=[Cl+])C=C1)N2C 475 Strange valence at Cl N=C1C=CC(=C2CSC(N/N=C(/CN3C(=C4C=CC(=[Cl+])C=C4)C=C(C(=O)O)c4ccccc43)c3ccccc3)=N2)C=C1 26 Strange valence at Cl CN(C)C(=O)Oc1ccc(-c2cn3c(=[Cl+])cccc3n2C)cc1 494 Strange valence at Cl Cc1cc(C)n2c1C(=C1C=CC(=[I+])C=C1)c1c(C)cc(C)n1[B-]2(F)F 46 Strange valence at I Cc1ccc(C2=N[N]C3=C([N+]2=O)C(C)(C)OC3(C)C)cc1 416 Error in aromatic system O=C1C=CC(=C2C=C[CH-][N+](CC(O)(P(=O)([O-])O)[P+]([O-])(O)O)=C2)C=C1 291 Error in aromatic system CN1C(=C=C=c2ccc(=C3C=CC(=[Cl+])C=C3)cc2)C=CC=C1C#Cc1ccc(-c2ccc(Cl)cc2)cc1 417 Strange valence at Cl Cn1c2cccc(=[Cl+])c-2cc2sc3ccccc3c21 362 Strange valence at Cl C[n+]1ccc(CCC(=O)OCCC/C2=C/Nc3ccccc3/N=C/C(CCCOC(=O)CCc3cc[n+](C)cc3)=C/Nc3ccccc3/N=C/2)cc1 253 SMILES ERROR - Inconsistent EZ stereo information CN(C)C(=O)Oc1ccc(-c2cn3c(=[Cl+])cccc3n2C)cc1 341 Strange valence at Cl C[N+]1=CC(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](C)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 140 Error in aromatic system CC[N+]1=CC(=C2C=CC(=[NH+]C(=O)/C=C/c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 408 Error in aromatic system CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cn3ccc(=[Cl+])cc3)CS[C@H]12)c1csc(=N)[nH]1 470 Strange valence at Cl COC(=O)/C1=C/C=C\CN(C(c2ccccc2)c2ccccc2)\C=C/1C(=O)OC 75 SMILES ERROR - Inconsistent EZ stereo information CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C1=N[N]N=N1 145 Error in aromatic system CC1=C(/C=C/c2ccc(N(C)C)cc2)[N+](=O)C=N[N]1 199 Error in aromatic system CC1=C(/C=C/c2ccc([N+](=O)[O-])s2)[N+](=O)C=N[N]1 275 Error in aromatic system CC1=N[N]C(C)=C(/C=C/c2ccc(N(C)C)cc2)[N+]1=O 276 Error in aromatic system O=C(Cn1c(=[Cl+])cc(Cl)c2ccccc21)c1ccccc1 388 Strange valence at Cl CCCCC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCCC)c4)c[nH+]3)ccc1-2 381 Error in aromatic system COc1cc(C(=O)[NH+]=C2C=CC(=C3C=C[CH-][N+](C)=C3)C=C2[N+](=O)[O-])cc(OC)c1OC 282 Error in aromatic system CC(=O)OC/C1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@@H]2[C@@](C)([C@@H](OC(C)=O)\C=C/1)[C@@H](OC(=O)CC(C)C)C[C@@H](OC(=O)CC(C)C)[C@]21CO1 414 SMILES ERROR - Inconsistent EZ stereo information C/C1=C/C/C=C(\C)CC/C=C(\C)CC[C@H](C(C)C)\C=C/1 87 SMILES ERROR - Inconsistent EZ stereo information [Cl+]=C1C=CC2=CC3=C4CCCCCN4CC3CC2=C1 135 Strange valence at Cl CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21 212 Strange valence at F Cc1c(I)c(C)n2c1C(=C1C=CC(=[I+])C=C1)c1c(C)c(I)c(C)n1[B-]2(F)F 321 Strange valence at I C/C1=C\C(O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)OC(C(C)C)C(C)/C=C\C(O)=NC\C=C/1 41 SMILES ERROR - Inconsistent EZ stereo information [Br+]=C1C=CC(=C2N(c3ccccn3)c3ccccc3N2c2ccccn2)C=C1 138 Strange valence at Br NS#Cc1cc(SCc2ccccc2F)ccn1 425 Strange valence at S CO/C1=N\C2=CC(=O)c3c(c(O)c(C)c4c3C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C\C=C/1C)O4)C2=O 23 SMILES ERROR - Inconsistent EZ stereo information Cn1c2ccccc2c(=[N+]=C2C=CC(=C(O)N=C3C=CC(=C(O)N=c4cc[cH-][n+](C)c4)C=C3)C=C2)c2cc([NH3+])ccc21 78 Error in aromatic system [Cl+]=C1C=CC2=CC3=C4CCCCN4CC3CC2=C1 375 Strange valence at Cl [OH+]=C1C=CC=CC1=[S-]c1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 14 Strange valence at S [OH+]=C1C=CC(=[S-]c2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)C=C1 451 Strange valence at S CCC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)c[nH+]3)ccc1-2 191 Error in aromatic system [Cl+]=C1C=CC(=C2C=CN(C3CC3)CC2)C=C1 268 Strange valence at Cl c1ccc2c(c1)[I]c1ccccc1-2 452 Strange valence at I C[n+]1c2ccc(=N[N+]#N)cc-2sc2cc(=NN=[N-])cc[c-]21 280 Error in aromatic system CCC[N+]1=CC(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CCC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 368 Error in aromatic system CN1C=CC(=C2C=CC(=[Cl+])C=C2)C=C1 350 Strange valence at Cl NC(=O)c1c(-c2ccc([NH2+][O-])cc2)nsc1NC(O)=NCCCN1CCOCC1 373 Strange valence at N CCc1cc(-c2ccccc2)cc(CC)[n+]1C1=N[N]N=N1 439 Error in aromatic system CCOC(=O)C([N+]#N)=[Si-](C)(C)C 195 Strange valence at Si Cc1ccc(=[F+])n(C)c1 329 Strange valence at F CN1C=CC(=CC=C2C=CC(=[Br+])C=C2)C=C1 105 Strange valence at Br C/C1=C\[C@@H](C)C[C@]2(C)CC[C@H](O2)[C@]23CC[C@](C)(C[C@H](O2)[C@@H]2O[C@@](C)(CC2=O)[C@@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)[C@H](C)C(=O)O[C@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@@H]5O)O[C@H]4\C=C/1)O2)O3 119 SMILES ERROR - Inconsistent EZ stereo information C/C1=C\[C@@H](C)C[C@]2(C)CC[C@H](O2)[C@]23CC[C@](C(=O)O)(C[C@H](O2)[C@@H]2O[C@@](C)(CC2=O)[C@@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)[C@H](C)C(=O)O[C@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@@H]5O)O[C@H]4\C=C/1)O2)O3 120 SMILES ERROR - Inconsistent EZ stereo information C/C1=C\[C@@H](C)C[C@]2(C)CC[C@H](O2)[C@]23CC[C@](CO)(C[C@H](O2)[C@@H]2O[C@@](C)(CC2=O)[C@@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)[C@H](C)C(=O)O[C@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@@H]5O)O[C@H]4\C=C/1)O2)O3 122 SMILES ERROR - Inconsistent EZ stereo information COC/C1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@]2(OC(C)=O)[C@H]3[C@@]4(CO4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@]2(OC(C)=O)\C=C/1 154 SMILES ERROR - Inconsistent EZ stereo information C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C/C=C/1 177 SMILES ERROR - Inconsistent EZ stereo information C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C/C=C/1 213 SMILES ERROR - Inconsistent EZ stereo information CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN1C=[N+]=c2c(ncn2C)=C1N 210 Strange valence at N O[N-]N=C1C=CC(=[SH]c2ccc3ccccc3c2)C=N1 195 Strange valence at S CN(C)C=[Cl+] 231 Strange valence at Cl C/C1=C/C/C=C(\C)CC/C=C(\C)CC[C@](O)(C(C)C)\C=C/1 247 SMILES ERROR - Inconsistent EZ stereo information CN=C(O)OCc1nc(S#S(C)(C)C)n(C)c1COC(O)=NC 444 Strange valence at S CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Cl+])C=C3)N(C)c3ccccc32)C1 285 Strange valence at Cl Cn1c2ccccc2c(=[N+]=C2C=CC(=C(O)N=C3C=CC(=C(O)N=c4cc[cH-][n+](C)c4)C=C3)C=C2)c2cc([NH3+])ccc21 338 Error in aromatic system Cc1ccc(=[F+])n(C)c1 422 Strange valence at F CCCCc1cc(-c2ccccc2)cc(CCCC)[n+]1C1=N[N]N=N1 261 Error in aromatic system FC(F)(F)c1ccc(/C2=N\S(c3ccccc3)=N\C(c3ccc(C(F)(F)F)cc3)=N/S(c3ccccc3)=N/2)cc1 268 SMILES ERROR - Inconsistent EZ stereo information CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1 12 Strange valence at F [Cl+]=C1C=CC(=C2CN3C=C(c4ccccc4)N4CCCCC2=C34)C=C1 438 Strange valence at Cl OC(N=C1C=CC(=[I+])C=C1)=C1C=CN(CCCCCCCCCCN2C=CC(=C(O)N=C3C=CC(=[I+])C=C3)C=C2)C=C1 356 Strange valence at I [Cl+]=C1C=CC2=CC3=C4CCCCCN4CC3CC2=C1 453 Strange valence at Cl Cc1ccc(NC(=O)[SH](=N)(c2ccc(C)cc2)[N+](=O)[O-])cc1 351 Strange valence at S CN1C(=C2C=CC(=[F+])C=C2)N(C)c2ccccc21 94 Strange valence at F CN1CCc2cn(C)c3c(O)c4c(c1c23)=C(c1ccc(O)cc1)C=[N+]=4 328 Strange valence at N CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1C1=N[N]N=N1 472 Error in aromatic system COc1cc(C(=O)[NH+]=C2C=CC(=C3C=C[CH-][N+](C)=C3)C=C2[N+](=O)[O-])cc(OC)c1OC 178 Error in aromatic system CC[C@]1(O)C[C@H]2CN(CCC3=C([N]c4ccccc43)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=N)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 28 Error in aromatic system CC[N+]1=CC(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 168 Error in aromatic system CN1C=CC(=C2C=CC(=[F+])C=C2)C=C1 247 Strange valence at F CCOC(=O)c1ccn(C)c(=[Cl+])c1 47 Strange valence at Cl CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccc(=[Cl+])n(C)c2)n2c1CCC2 114 Strange valence at Cl CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccn(C)c(=[Cl+])c2)n2c1CCC2 497 Strange valence at Cl CCOC(=O)c1cc(Cl)n(C)c(=[Cl+])c1 181 Strange valence at Cl [Cl+]=C1C=CC2=CC3=C4CCCCN4CC3CC2=C1 334 Strange valence at Cl Clc1ccc(C2=NC(=C3C=CC(=[Cl+])C=C3)SS2)cc1 118 Strange valence at Cl CC1=N[N]C2=C([N+]1=O)C(c1ccccc1)(c1ccccc1)OC2(C)C 156 Error in aromatic system CC1=C[N+](=O)C(=C2[N]N=C3C(=N2)C(C)(C)OC3(C)C)C=C1 190 Error in aromatic system [F+]=c1ccncn1-c1cc(OC[C@@H]2CCN2)cnc1Cl 61 Strange valence at F O=[N+]1ON=c2c1ccc1c2=CC=N[N]1 392 Error in aromatic system Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C1=N[N]N=N1 66 Error in aromatic system CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Br+])C=C3)N(C)c3ccccc32)C1 228 Strange valence at Br O=P(O)(O)C(O)(C[N+]1=CC(=C2C=CC(=[OH+])C=C2)C=C[CH-]1)[P+]([O-])(O)O 395 Error in aromatic system NCC(O)/C1=C/CCCC\C=C/1 377 SMILES ERROR - Inconsistent EZ stereo information CC(Nc1ncnc2c(C(=N)O)cccc12)c1cccc(N=C(O)C2=C[NH+]([O-])CC=C2)c1 439 Strange valence at N CCOC(=O)c1ccc2c(c1)C1=C(CCO1)C(=C1C=CC(=[Cl+])C=C1)N2C 51 Strange valence at Cl OC(N=NC=C1C=CC(=[Br+])C=C1)=C1C=CN(Cc2ccccc2)C=C1 17 Strange valence at Br C/C=C/[C@H]1[C@H](C)[C@@H](C)[C@@H]([SH]=O)S1=O 294 Strange valence at S CN=C(O)OCc1nc(S#S(C)(C)C)n(C)c1COC(O)=NC 242 Strange valence at S Cc1c2c(cc[n+]1C)c1cc(O)cc[c-]1[n+]2C 244 Strange valence at N OC(N=NC=C1C=CC(=[Br+])C=C1)=C1C=CN(Cc2ccccc2)C=C1 173 Strange valence at Br [Br+]=C1C=CC(=CC=C2C=CN(Cc3ccccc3)C=C2)C=C1 310 Strange valence at Br CN1C=CC(=C2C=CC(=[Cl+])C=C2)C=C1 213 Strange valence at Cl CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccn(C)c(=[F+])c2)n2c1CCC2 405 Strange valence at F CCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C1=N[N]N=N1 260 Error in aromatic system CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN1C=[N+]=c2c(ncn2C)=C1N 317 Strange valence at N Cc1cc(C)n2c1C(=c1ccc(=C3C=CC(=[Br+])S3)s1)c1c(C)cc(C)n1[B-]2(F)F 213 Strange valence at Br Cc1c(I)c(C)n2c1C(=C1C=CC(=[Br+])C=C1)c1c(C)c(I)c(C)n1[B-]2(F)F 219 Strange valence at Br Cc1c(I)c(C)n2c1C(=C1C=CC(=[Br+])S1)c1c(C)c(I)c(C)n1[B-]2(F)F 222 Strange valence at Br Cc1c(I)c(C)n2c1C(=c1ccc(=C3C=CC(=[Br+])S3)s1)c1c(C)c(I)c(C)n1[B-]2(F)F 223 Strange valence at Br Cc1c(I)c(C)n2c1C(=C1C(F)=C(F)C(=[F+])C(F)=C1F)c1c(C)c(I)c(C)n1[B-]2(F)F 224 Strange valence at F CC1(C)OC(C)(C)C2=C1[N]N=C(c1ccc(F)cc1)[N+]2=O 231 Error in aromatic system O=C(CN1C=CC(=C(O)N=NC=C2C=CC(=[Br+])C=C2)C=C1)c1ccccc1 96 Strange valence at Br [Cl+]=C1C=CC(=C2CN3C=C(c4ccccc4)N4CCCCC2=C34)C=C1 483 Strange valence at Cl CCOC(=O)c1cc(Cl)n(C)c(=[Cl+])c1 403 Strange valence at Cl COc1ccc(C2=CN3CC(=C4C=CC(=[Br+])C=C4)C4=C3N2CCCC4)cc1 297 Strange valence at Br C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/C[n+]1[cH-]n(C)c2ncnc(=NOC)c1-2 409 Error in aromatic system Cc1cc(-c2ccccc2)cc(C)[n+]1C1=N[N]N=N1 494 Error in aromatic system CC1=N[N]C2=C([N+]1=O)C(C)(C)OC2(C)C 356 Error in aromatic system [Br+]=C1C=CC(N2C=CN(Cc3ccccc3)C=C2)=C2C=C[NH+]=C12 164 Strange valence at Br [Cl+]=C1C=CC2=[NH+]C=CC2=C1N1C=CN(Cc2ccccc2)C=C1 165 Strange valence at Cl Cn1c2cccc(=[Cl+])c-2cc2sc3ccccc3c21 69 Strange valence at Cl CCC[N+]1=CC(=C2C=CC(=[NH+]C(=O)/C=C/c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CCC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 43 Error in aromatic system OC(N=C1C=CC(=[F+])C=C1)=C1C=CN(CCCCCCCCCCN2C=CC(=C(O)N=C3C=CC(=[F+])C=C3)C=C2)C=C1 301 Strange valence at F COc1ccc(C2=CN3CC(=C4C=CC(=[Br+])C=C4)C4=C3N2CCCC4)cc1 480 Strange valence at Br C/C1=C\[C@H]2O[C@@H](C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/1)O[C@@H](C/C=C\CCO)[C@]3(C)CO)C[C@H](O)[C@H]2C 29 SMILES ERROR - Inconsistent EZ stereo information 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/1 173 SMILES ERROR - Inconsistent EZ stereo information OC(=C1C=CC(=Nc2nc(-c3ccccc3)nc3ccccc23)C=C1)N1N=C([S-])SC1=C1C=CC(=[Cl+])C=C1 331 Strange valence at Cl COC(O)=C1C=C[CH-][N+](CC(=O)N=C2C=CC(=[O+]C(F)F)C=C2)=C1 374 Error in aromatic system C[O+]=C1C=CC(=NC(O)=C2C=C[CH-][N+](CC(=O)N=C3C=CC(=S(=N)(O)O)C=C3)=C2)C=C1 180 Error in aromatic system C[N+]1=CC(=C2C=CC(=[NH+]C(=O)/C=C/c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](C)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 308 Error in aromatic system CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Br+])C=C3)N(C)c3ccccc32)C1 375 Strange valence at Br CCCc1cc(-c2ccccc2)cc(CCC)[n+]1C1=N[N]N=N1 59 Error in aromatic system CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[F+])C=C3)N(C)c3ccccc32)C1 242 Strange valence at F Cc1cc(C)[n+]([N-]C(O)=c2[n-]c3ccc(S(#[NH+])(O)O)cc3c2=C2C(F)=C(F)C(=[F+])C(F)=C2F)c(C)c1 455 Strange valence at F Cn1c(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5c[n+]6c(n5C)=CC=C[CH-]6)C=C4)cc3)C=C2)c[n+]2c1=CC=C[CH-]2 308 Error in aromatic system O=C(O)C1=CC(=C2C=CC(=[Cl+])C=C2)N(C/C(=N/N=C2/N=C(c3ccccc3)CS2)c2ccccc2)c2ccccc21 458 Strange valence at Cl Cc1nc2ncn[n+]-2[c-]2c1CC[N+]2(C)C(C)(C)C 234 Strange valence at N [OH+]=C1C=CC=CC1=[S-]c1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 183 Strange valence at S N#[N+]N=C1N=C2C(=N)N=CN=C2N1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H]([N+]3=CC(=C([O-])O)C=C[CH-]3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(=O)(O)O 275 Error in aromatic system CC1(C)OC(C)(C)C2=C1[N]N=C[N+]2=O 154 Error in aromatic system c1ccc(-c2cc(-c3ccccc3)[n+](C3=N[N]N=N3)c(-c3ccccc3)c2)cc1 272 Error in aromatic system CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1C1=N[N]N=N1 349 Error in aromatic system COc1cc2nc(N3CCN(S(=O)(=O)c4no[n+]([O-])c4/C4=C/C=C\C=C\C=C/4)CC3)[nH]c(=N)c2cc1OC 440 SMILES ERROR - Inconsistent EZ stereo information c1ccc2c(c1)[I]c1ccccc1-2 455 Strange valence at I CN1C=CC(=CC=C2C=CC(=[Br+])C=C2)C=C1 403 Strange valence at Br C[N+]1=CC(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](C)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 14 Error in aromatic system CC[N+]1=CC(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 371 Error in aromatic system CCC[N+]1=CC(=C2C=CC(=[NH+]C(=O)c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CCC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 372 Error in aromatic system C[N+]1=CC(=C2C=CC(=[NH+]C(=O)/C=C/c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](C)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 373 Error in aromatic system CC[N+]1=CC(=C2C=CC(=[NH+]C(=O)/C=C/c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 374 Error in aromatic system CCC[N+]1=CC(=C2C=CC(=[NH+]C(=O)/C=C/c3ccc(C(=O)[NH+]=C4C=CC(=c5ccc(=c6ccc(=C7C=C[CH-][N+](CCC)=C7)cc6)cc5)C=C4)cc3)C=C2)C=C[CH-]1 375 Error in aromatic system Cn1ccc(=[N+]=C2C=CC(=NC(O)=c3ccc(=C(O)[NH+]=C4C=CC(=C(O)N=c5cc[cH-][n+](C)c5)C=C4)cc3)C=C2)cc1 376 Error in aromatic system Cn1ccc(=[N+]=C2C=CC(=NC(O)=c3ccc(=C(O)[NH+]=C4C=CC(=C(O)N=c5cc[cH-][n+](C)c5)C=C4)cc3)C=C2)cc1 382 Error in aromatic system C[O+]=C1C=CC(=NC(O)=C2C=C[CH-][N+](CC(=O)N=C3C=CC(=S(=N)(O)O)C=C3)=C2)C=C1 453 Error in aromatic system O=C(O)C1=CC(=C2C=CC(=[Cl+])C=C2)N(C/C(=N/N=C2/N=C(c3ccccc3)CS2)c2ccccc2)c2ccccc21 456 Strange valence at Cl COC(=O)c1cc2c(s1)C(=O)C(Cl)=C(n1ccc(=[Cl+])cc1)C2=O 353 Strange valence at Cl Cc1c(S(=O)(=O)O)c(C)n2c1C(=C1C=CC(=[I+])C=C1)c1c(C)c(S(=O)(=O)O)c(C)n1[B-]2(F)F 435 Strange valence at I Cc1c(S(=O)(=O)[O-])c(C)n2c1C(=C1C=CC(=[I+])C=C1)c1c(C)c(S(=O)(=O)[O-])c(C)n1[B-]2(F)F 185 Strange valence at I CC1=N[N]C2=C(CC(C(C)(C)C)CC2)[N+]1=O 380 Error in aromatic system CC(C)(C)C1CCC2=C(C1)[N+](=O)C=N[N]2 381 Error in aromatic system CC1=C(c2ccccc2)[N]N=C[N+]1=O 385 Error in aromatic system N=C1C=CC(=C2CSC(N/N=C(/CN3C(=C4C=CC(=[Cl+])C=C4)C=C(C(=O)O)c4ccccc43)c3ccccc3)=N2)C=C1 60 Strange valence at Cl NCC(O)/C1=C/C=C\C=C\C=C/1 194 SMILES ERROR - Inconsistent EZ stereo information O=C(O)C(=O)Nc1cccc(C2=N[N]N=N2)c1 194 Error in aromatic system C[n+]1ccc2c3cc(O)cc[c-]3[n+](C)c2c1 77 Strange valence at N NCC(O)/C1=C/C=C\C=C\C=C/1 108 SMILES ERROR - Inconsistent EZ stereo information NCC(O)/C1=C/CCCC\C=C/1 110 SMILES ERROR - Inconsistent EZ stereo information CCCC[n+]1[cH-]ccc2cc(=NC(O)=C3C=CC(=[NH+]C(=O)c4ccc5c(ccc[n+]5CCCC)c4)C=C3)ccc1-2 249 Error in aromatic system COC(O)=C1C=C[CH-][N+](CC(=O)N=C2C=CC(=[O+]C(F)F)C=C2)=C1 476 Error in aromatic system CN(C)C=[Cl+] 391 Strange valence at Cl CCCC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)c[nH+]3)ccc1-2 162 Error in aromatic system Cc1ccc(=[Cl+])n(C)c1 179 Strange valence at Cl OC(N=C1C=CC(=[Br+])C=C1)=C1C=CN(CCCCCCCCCCN2C=CC(=C(O)N=C3C=CC(=[Br+])C=C3)C=C2)C=C1 371 Strange valence at Br CC1=C(/C=C/c2ccc([N+](=O)[O-])o2)[N+](=O)C=N[N]1 190 Error in aromatic system Cc1[b+]n(C[n+]2cc(C)cc(C)c2)cc(C)c1 307 Error in aromatic system Cn1cccc(-c2c3ccc(n3)c(-c3ccc[n+](C)c3F)c3ccc([nH]3)c(-c3cccn(C)c3=[F+])c3ccc(n3)c(-c3ccc[n+](C)c3F)c3ccc2[nH]3)c1=[F+] 26 Strange valence at F C/C1=C\[C@H]2O[C@@H](C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/1)O[C@@H](C/C=C\C[C@@H](O)C(=O)O)[C@]3(C)CO)C[C@H](O)[C@H]2C 121 SMILES ERROR - Inconsistent EZ stereo information Cc1ccc(C2=N[N]C3=C([N+]2=O)C(C)(C)OC3(C)C)cc1C 129 Error in aromatic system CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccn(C)c(=[Cl+])c2)n2c1CCC2 14 Strange valence at Cl CC(=O)[NH+]=C1C=CC(=C2[CH-][n+]3ccc4ccccc4c3N2C)C=C1 337 Error in aromatic system Cn1ccc(=[N+]=C2C=CC(=NC(O)=c3ccc(=C(O)[NH+]=C4C=CC(=C(O)N=c5cc[cH-][n+](C)c5)C=C4)cc3)C=C2)cc1 123 Error in aromatic system CC[n+]1[cH-]ccc2cc(=NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)c[nH+]3)ccc1-2 167 Error in aromatic system CC[n+]1[cH-]ccc2cc(=NC(O)=C3C=CC(=[NH+]C(=O)c4ccc5c(ccc[n+]5CC)c4)C=C3)ccc1-2 169 Error in aromatic system CCCCCC[n+]1[cH-]ccc2cc(=NC(O)=C3C=CC(=[NH+]C(=O)c4ccc5c(ccc[n+]5CCCCCC)c4)C=C3)ccc1-2 384 Error in aromatic system CC1=N[N]c2ccc3c(c2=C1)=NO[N+]3=O 498 Error in aromatic system [C-]#[N+]c1ccc([C-](O)N=C2C=CC(=C3N=[N+]=C4c5ccccc5Nc5ncccc5N43)C=C2)cc1 422 Strange valence at N N#CC(C#SN)=C1CCCCC1 348 Strange valence at S CCOC(=O)c1ccn(C)c(=[F+])c1 59 Strange valence at F N#[N+]N=c1cc(C(=O)O)[cH-][n+]([C@H]2O[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4c(Br)nc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@H](O)[C@@H]2O)c1 147 Error in aromatic system Cc1c[c-]2c(c(C)c1O)c1cc[n+](C)cc1[n+]2C 353 Strange valence at N CC1=N[N]C2=C([N+]1=O)C(C)(C)OC21CCCCC1 326 Error in aromatic system C[N+]1=CC(=C2C=CC(=[OH+])C=C2)C=C[CH-]1 166 Error in aromatic system Clc1ccc(C2=NC(=C3C=CC(=[Cl+])C=C3)SS2)cc1 159 Strange valence at Cl CC1=C(/C=C/c2ccc3c(c2)OCO3)[N+](=O)C=N[N]1 166 Error in aromatic system COc1ccc(/C=C/C2=C(C)[N]N=C[N+]2=O)cc1 191 Error in aromatic system CC(=O)OC/C1=C\CC/C(C)=C/CC[C@@]2(C)CC[C@@](C(C)C)(/C=C/1)O2 288 SMILES ERROR - Inconsistent EZ stereo information COc1cc2[cH-][n+](C)c3c4cc(=[OH+])c(OC)cc4ccc3c2cc1OC 118 Error in aromatic system O=C(CN1C=CC(=C(O)N=NC=C2C=CC(=[Br+])C=C2)C=C1)c1ccccc1 347 Strange valence at Br C=CCn1c(=C2C=CC(=[NH+]C(C)=O)C=C2)c[n+]2c1=CC=C[CH-]2 108 Error in aromatic system Cc1c[c-]2c(c(C)c1O)c1cc[n+](C)cc1[n+]2C 55 Strange valence at N [OH+]=C1C=CC(=[S-]c2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)C=C1 98 Strange valence at S CC1=C(/C=C/c2ccc(Cl)cc2)[N+](=O)C=N[N]1 413 Error in aromatic system CCOC(=O)c1ccn(C)c(=[Br+])c1 309 Strange valence at Br C/C1=C/[C@H](C)C[C@@]2(C)CC[C@@H](O2)[C@@]23CC[C@@](C)(C[C@@H](O2)[C@H]2O[C@](C)(CC2=O)[C@@H](O)[C@@H]2CC[C@@]4(CCC[C@H](O4)[C@@H](C)C(=O)O[C@@H]4C[C@@H]([C@@]5(O)OCC[C@@H](C)[C@H]5O)O[C@@H]4/C=C/1)O2)O3 415 SMILES ERROR - Inconsistent EZ stereo information C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/C[n+]1[cH-]n(C)c2ncnc(=NOC(C)(C)C)c1-2 382 Error in aromatic system C[n+]1c2ccc(=N[N+]#N)cc-2cc2cccc[c-]21 369 Error in aromatic system CC1(C)OC2(CCCCC2)C2=C1[N]N=C[N+]2=O 462 Error in aromatic system Cc1[b+]n(C[n+]2cc(C)cc(C)c2)cc(C)c1 324 Error in aromatic system COc1cc2[cH-][n+](C)c3c4cc(=[OH+])c(OC)cc4ccc3c2cc1OC 354 Error in aromatic system CCOC(=O)c1ccn(C)c(=[Cl+])c1 354 Strange valence at Cl CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccc(=[Cl+])n(C)c2)n2c1CCC2 357 Strange valence at Cl C=CCn1c(=C2C=CC(=[NH+]C(C)=O)C=C2)c[n+]2c1=CC=C[CH-]2 163 Error in aromatic system C/C1=C/C/C=C(\C)CC[C@H]2C(C)(C)[C@@H](\C=C/1)CC[C@]2(C)O 341 SMILES ERROR - Inconsistent EZ stereo information O=C1O[N-]N2C1=C(N=C1C=CC(=[Cl+])C=C1)Nc1ccccc12 176 Strange valence at Cl OC(N=C1C=CC(=[Cl+])C=C1)=C1C=CN(CCCCCCCCCCN2C=CC(=C(O)N=C3C=CC(=[Cl+])C=C3)C=C2)C=C1 415 Strange valence at Cl Cc1nc2ncn[n+]-2[c-]2c1CC[N+]2(C)C(C)(C)C 152 Strange valence at N CC(=O)[NH+]=C1C=CC(=c2c[n+]3c(n2C)=CC=C[CH-]3)C=C1 320 Error in aromatic system C[n+]1c2ccc(=N[N+]#N)cc-2cc2cccc[c-]21 369 Error in aromatic system C[N+]1=CC(=C2C=CC(=[OH+])C=C2)C=C[CH-]1 402 Error in aromatic system CC1CCC(C(C)C)C(OC(=O)CN2C(=C3C=CC(=[Cl+])C=C3)N(C)c3ccccc32)C1 324 Strange valence at Cl CN(C)C(=O)Oc1cccc(-c2cn3c(=[Cl+])cccc3n2C)c1 370 Strange valence at Cl CC(C)N=C(O)OCc1c(COC(O)=NC(C)C)c(-c2ccc(=[F+])n(C)c2)n2c1CCC2 390 Strange valence at F CC(=O)OC/C1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@]3(C)O[C@@H]3C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)/C=C/1 339 SMILES ERROR - Inconsistent EZ stereo information COC(=O)/C1=C(\c2ccccc2)c2ccccc2C(=O)N(C2CCCCC2)\C=C/1 275 SMILES ERROR - Inconsistent EZ stereo information O[N-]N=C1C=CC(=[SH]c2ccc3ccccc3c2)C=N1 1 Strange valence at S