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Foglio3
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Compound Id | SMILE | ||||||||
NMT-TY0101 | Nc(n1)cc(=O)n(c12)CCS2 | ||||||||
NMT-TY0102 | Nc(n1)c(Br)c(=O)n(c12)CCS2 | ||||||||
NMT-TY0103 | O=Nc(c(n1)N)c(=O)n(c12)CCS2 | ||||||||
NMT-TY0104 | O=c1[nH]c(SCCBr)nc(N)c1 | ||||||||
NMT-TY0105 | Cc(n1)cc(=O)n(c12)CCS2 | ||||||||
NMT-TY0106 | Brc1c(N)nc([nH]c1=O)SCCBr | ||||||||
NMT-TY0107 | Cc1cc(=O)nc(n12)SCC2 | ||||||||
NMT-TY0108 | Nc(n1)cc(=O)n(c12)CCCS2 | ||||||||
NMT-TY0109 | O=Nc(c(n1)N)c(=O)n(c12)CCCS2 | ||||||||
NMT-TY0110 | Cc(n1)c(Br)c(=O)n(c12)CCS2 | ||||||||
NMT-TY0111 | n1snc(c12)nc3n(c2=O)CCCS3 | ||||||||
NMT-TY0112 | Nc(n1)c(N)c(=O)n(c12)CCCS2 | ||||||||
NMT-TY0114 | Nc(n1)c(N)c(=O)n(c12)CCS2 | ||||||||
NMT-TY0115 | Nc(n1)c(Br)c(=O)n(c12)CCCS2 | ||||||||
NMT-TY0116 | n1n[nH]c(c12)[nH]c(=S)[nH]c2=O | ||||||||
NMT-TY0117 | Nc(n1)cc(=O)n(c12)C(CS2)CO | ||||||||
NMT-TY0118 | Nc(n1)cc(=O)n(c12)CC(CS2)O | ||||||||
NMT-TY0119 | n1n[nH]c(c12)nc3n(c2=O)CCS3 | ||||||||
NMT-TY0120 | Nc1cc(=O)n(c(=O)[nH]1)CCCS | ||||||||
NMT-TY0121 | S=c([nH]1)[nH]c(c12)nc3n(c2=O)CCCS3 | ||||||||
NMT-TY0122 | O=c([nH]1)[nH]c(c12)nc3n(c2=O)CCS3 | ||||||||
NMT-TY0123 | O=c([nH]1)[nH]c(c12)nc3n(c2=O)CCCS3 | ||||||||
NMT-TY0124 | Nc(n1)cc(=O)n(c12)CC(CS2)C | ||||||||
NMT-TY0125 | O=Nc(c(n1)N)c(=O)n(c12)CC(CS2)C | ||||||||
NMT-TY0126 | Nc(n1)c(N)c(=O)n(c12)CC(CS2)C | ||||||||
NMT-TY0127 | O=Nc(c(n1)N)c(=O)n(c12)CC(S2)c3ccccc3 | ||||||||
NMT-TY0128 | n1n[nH]c(c12)nc3n(c2=O)CC(CS3)C | ||||||||
NMT-TY0129 | S=c([nH]1)[nH]c(c12)nc3n(c2=O)CCS3 | ||||||||
NMT-TY0130 | Nc(n1)c(N)c(=O)n(c12)CC(S2)c3ccccc3 | ||||||||
NMT-TY0131 | O=c([nH]1)[nH]c(c12)nc3n(c2=O)CC(CS3)C | ||||||||
NMT-TY0132 | S=c([nH]1)[nH]c(c12)nc3n(c2=O)CC(CS3)C | ||||||||
NMT-TY0134 | O=Nc(c(n1)N)c(=O)n(c12)C(CS2)CO | ||||||||
NMT-TY0135 | Nc(n1)c(Br)c(=O)n(c12)CC(CS2)C | ||||||||
NMT-TY0136 | Nc(n1)c(Br)c(=O)n(c12)CC(CS2)C | ||||||||
NMT-TY0137 | O=Nc(c(n1)N)c(=O)n(c12)CC(CS2)O | ||||||||
NMT-TY0138 | Nc(n1)c(Br)c(=O)n(c12)CC(CS2)O | ||||||||
NMT-TY0139 | n1n[nH]c(c12)nc3n(c2=O)C(CS3)CO | ||||||||
NMT-TY0140 | Cn1c(SC)nc(N)c(c1=O)NS(=O)([O-])=O | ||||||||
NMT-TY0141 | Nc(n1)c(N)c(=O)n(c12)CC(CS2)O | ||||||||
NMT-TY0142 | Nc(n1)c(N)c(=O)n(c12)C(CS2)CO | ||||||||
NMT-TY0144 | O=c1nc(N)c(N)c(n12)SCCC2 | ||||||||
NMT-TY0145 | O=C1NC(=O)NC(S(=O)([O-])=O)C1F | ||||||||
NMT-TY0146 | O=C1NC(=O)NC(S(=O)([O-])=O)C1F | ||||||||
NMT-TY0147 | O=S([O-])(=O)C1NC(=O)NC(=O)C1Br | ||||||||
NMT-TY0149 | O=C1NC(=O)NC(S(=O)([O-])=O)C1Cl | ||||||||
NMT-TY0150 | O=C1NC(=O)NC(S(=O)([O-])=O)C1Cl | ||||||||
NMT-TY0151 | O=C1NC(=O)NC(S(=O)([O-])=O)C1Br | ||||||||
NMT-TY0152 | S1CCCn(c(=O)n2)c1c(c23)nn[nH]3 | ||||||||
NMT-TY0153 | n1n[nH]c(c12)nc3n(c2=O)CC(CS3)O | ||||||||
NMT-TY0154 | C1CCSc(n12)c3c(nc2=O)[nH]c(=O)[nH]3 | ||||||||
NMT-TY0155 | n1snc(c12)nc3n(c2=O)CC(CS3)C | ||||||||
NMT-TY0156 | O=c([nH]1)[nH]c(c12)c3n(c(n2)=O)CCS3 | ||||||||
NMT-TY0157 | Nc(n1)cc(=O)n(c12)C(C(=O)O)C(S2)C(=O)O | ||||||||
NMT-TY0158 | S=c([nH]1)[nH]c(c12)c3n(c(n2)=O)CCS3 | ||||||||
NMT-TY0159 | C1CCSc(n12)c3c(nc2=O)[nH]c(=S)[nH]3 | ||||||||
NMT-TY0160 | Cn1c(=O)n(C)c(c12)c(=O)n3c(n2)SCCC3 | ||||||||
NMT-TY0161 | S1CCn(c(=O)n2)c1c(c23)nn[nH]3 | ||||||||
NMT-TY0162 | n1snc(c12)nc3n(c2=O)CCS3 | ||||||||
NMT-TY0163 | O=S([O-])(=O)Nc(c(n1)N)c(=O)n(c12)CCS2 | ||||||||
NMT-TY0164 | O=S([O-])(=O)Nc(c(n1)N)c(=O)n(c12)CCCS2 | ||||||||
NMT-TY0165 | O=S([O-])(=O)Nc(c(n1)N)c(=O)n(c12)CC(CS2)C | ||||||||
NMT-TY0166 | Cn1c(=O)[nH]c(c12)nc3n(c2=O)CCCS3 | ||||||||
NMT-TY0167 | O=c([nH]1)[nH]c(c12)nc3n(c2=O)CCCS3(=O)=O | ||||||||
NMT-TY0168 | Nc1c(N)nc([nH]c1=O)SCc2ccccc2 | ||||||||
NMT-TY0169 | Nc1c(N)[nH]c(=S)n(c1=O)Cc2ccccc2 | ||||||||
NMT-TY0170 | O=c([nH]1)[nH]c(c12)c(=O)[nH]c(=S)[nH]2 | ||||||||
NMT-TY0171 | O=c([nH]1)[nH]c(c12)c(=O)[nH]c(n2)SCc3ccccc3 | ||||||||
NMT-TY0172 | CCCCCCn(c(=O)c(c12)[nH]c(=O)[nH]2)c(n1)SCCCCCC | ||||||||
NMT-TY0173 | O=c([nH]1)[nH]c(c12)c(=O)[nH]c(n2)SCCCCCC | ||||||||
NMT-TY0174 | O=c([nH]1)[nH]c(c12)c(=O)[nH]c(n2)S(=O)(=O)Cc3ccccc3 | ||||||||
NMT-TY0175 | S1CCCn(c12)c(=O)c3c(n2)[nH]c(n3)-c4ccccc4 | ||||||||
NMT-TY0176 | O=c1[nH]c(SC)nc(c12)[nH]c(n2)-c3ccccc3 | ||||||||
NMT-TY0177 | O=c1[nH]c(=S)[nH]c(c12)[nH]c(n2)-c3ccccc3 | ||||||||
NMT-TY0179 | S1CCCn(c12)c(=O)nc3c2nc([nH]3)-c4ccccc4 | ||||||||
NMT-TY0180 | O=C1C(N)C(S)N=C(N)C\1=N\C(=O)c2ccccc2 | ||||||||
NMT-TY0181 | CCCCCCSc1[nH]c(=O)cc(n1)Cc2ccccc2 | ||||||||
NMT-TY0201 | c1ccccc1CSc2[nH]c(=O)c(c(n2)N)NCc3ccccc3 | ||||||||
NMT-TY0203 | n1c[nH]c(c12)[nH]c(=S)[nH]c2=O | ||||||||
NMT-TY0204 | c1ccccc1CCCn2c(=O)[nH]c(c23)nc(n(c3=O)CCCc4ccccc4)SCCCc5ccccc5 | ||||||||
NMT-TY0206 | n1c(N)[nH]c(c12)[nH]c(=S)[nH]c2=O | ||||||||
NMT-TY0209 | n1c(C)[nH]c(c12)[nH]c(=S)[nH]c2=O | ||||||||
NMT-TY0210 | CCN(S1(=O)=O)C(=O)Nc(c12)ccc(Cl)c2 | ||||||||
NMT-TY0212 | C=CCN(S1(=O)=O)C(=O)Nc(c12)ccc(Cl)c2 | ||||||||
NMT-TY0215 | C=CCN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)c(Cl)c2 | ||||||||
NMT-TY0216 | CCN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)c(Cl)c2 | ||||||||
NMT-TY0217 | O=S1(=O)N(C)C(=O)Nc(c12)cc(Cl)c(Cl)c2 | ||||||||
NMT-TY0218 | c1cccc(c12)N=C(NS2(=O)=O)OC(C)C | ||||||||
NMT-TY0219 | C=CCN(S1(=O)=O)C(=O)Nc(c12)cccc2 | ||||||||
NMT-TY0220 | C#CCN(S1(=O)=O)C(=O)Nc(c12)cccc2 | ||||||||
NMT-TY0221 | CCCCN(S1(=O)=O)C(=O)Nc(c12)cccc2 | ||||||||
NMT-TY0222 | c1cccc(c12)N=C(NS2(=O)=O)OCCCC | ||||||||
NMT-TY0223 | O=S1(=O)N(C)C(=O)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0224 | O=S1(=O)N(C)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0225 | CCN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0226 | CCCN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0227 | c1cc(Cl)cc(c12)N=C(NS2(=O)=O)OCCC | ||||||||
NMT-TY0228 | CC(C)N(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0229 | c1cc(Cl)cc(c12)N=C(NS2(=O)=O)OCC=C | ||||||||
NMT-TY0230 | C=CCN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0231 | C#CCN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0232 | c1cc(Cl)cc(c12)N=C(NS2(=O)=O)OCC#C | ||||||||
NMT-TY0233 | CCCCN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0234 | c1cc(Cl)cc(c12)N=C(NS2(=O)=O)OCCCC | ||||||||
NMT-TY0235 | CCC(C)N(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0236 | c1cc(Cl)cc(c12)N=C(NS2(=O)=O)OC(C)CC | ||||||||
NMT-TY0237 | O=S1(=O)N(C)C(=O)Nc(c12)cc(Br)cc2 | ||||||||
NMT-TY0238 | O=S1(=O)N(C)C(=O)Nc(c12)ccc(c2)[N+]([O-])=O | ||||||||
NMT-TY0239 | O=S1(=O)N(C)C(=O)Nc(c12)ccc(c2)N | ||||||||
NMT-TY0240 | NC(=N)NS(=O)(=O)c1ccccc1 | ||||||||
NMT-TY0241 | NC(=N)NS(=O)(=O)c1ccc(Cl)cc1 | ||||||||
NMT-TY0242 | NC(=N)NS(=O)(=O)c1cc(Cl)ccc1 | ||||||||
NMT-TY0243 | NC(=N)NS(=O)(=O)c1c(Cl)cccc1 | ||||||||
NMT-TY0244 | NC(=N)NS(=O)(=O)c1c(Cl)cc(Cl)cc1 | ||||||||
NMT-TY0245 | NC(=N)NS(=O)(=O)c1c(Cl)ccc(Cl)c1 | ||||||||
NMT-TY0246 | NC(=N)NS(=O)(=O)c1ccc(C)cc1 | ||||||||
NMT-TY0247 | NC(=N)NS(=O)(=O)c1c(C)cccc1 | ||||||||
NMT-TY0248 | NC(=N)NS(=O)(=O)c1ccc(Br)cc1 | ||||||||
NMT-TY0249 | NC(=N)NS(=O)(=O)c1cc(Cl)c(C)cc1 | ||||||||
NMT-TY0250 | NC(=N)NS(=O)(=O)c1cc(Cl)c(Cl)cc1 | ||||||||
NMT-TY0251 | O=S1(=O)N(C)C(=O)Nc(c12)c([N+]([O-])=O)cc(Cl)c2 | ||||||||
NMT-TY0252 | O=S1(=O)[N-]C(=O)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0253 | O=S1(=O)[N-]C(=O)Nc(c12)ccc(c2)[N+]([O-])=O | ||||||||
NMT-TY0254 | NC(=N)NS(=O)(=O)c1cccc(Br)c1 | ||||||||
NMT-TY0255 | NC(=N)NS(=O)(=O)c1cccc(C)c1 | ||||||||
NMT-TY0256 | NC(=N)NS(=O)(=O)c1cccc(N)c1 | ||||||||
NMT-TY0257 | NC(=N)NS(=O)(=O)c1cccc([N+]([O-])=O)c1 | ||||||||
NMT-TY0258 | O=S1(=O)N(C)C(=O)Nc(c12)cccc2 | ||||||||
NMT-TY0259 | C/C=C/CN(S1(=O)=O)C(=O)Nc(c12)ccc(Cl)c2 | ||||||||
NMT-TY0260 | C/C=C/CN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)cc2 | ||||||||
NMT-TY0261 | C/C=C/CN(S1(=O)=O)C(=O)Nc(c12)cc(Cl)c(Cl)c2 | ||||||||
NMT-TY0262 | O=S1(=O)NC(C)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0263 | O=S1(=O)NC(CC)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0264 | CCCC(NS1(=O)=O)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0265 | O=S1(=O)NC(C(C)C)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0266 | Clc(c1)cc(Cl)c(c12)NC(NS2(=O)=O)c3ccccc3 | ||||||||
NMT-TY0267 | C[N-]S(=O)(=O)c1ccccc1 | ||||||||
NMT-TY0268 | CCN(S1(=O)=O)C(=O)Nc(c12)cccc2 | ||||||||
NMT-TY0269 | c1cccc(c12)N=C(NS2(=O)=O)OCC | ||||||||
NMT-TY0270 | O=S1(=O)[N-]C(=O)Nc(c12)cccc2 | ||||||||
NMT-TY0271 | c1cccc(c12)N=C(NS2(=O)=O)OC/C=C/C | ||||||||
NMT-TY0272 | c1cc(Cl)cc(c12)N=C(NS2(=O)=O)OC/C=C/C | ||||||||
NMT-TY0273 | Clc(c1)c(Cl)cc(c12)N=C(NS2(=O)=O)OC/C=C/C | ||||||||
NMT-TY0274 | CCOC(=O)[N-]S(=O)(=O)c1ccccc1 | ||||||||
NMT-TY0275 | O=S1(=O)[N-]C(=O)N(C)c(c12)cccc2 | ||||||||
NMT-TY0276 | c1cccc(c12)N(C(=O)N(S2(=O)=O)C)CC=C | ||||||||
NMT-TY0278 | C=CCN(S1(=O)=O)C(=O)N(C)c(c12)cccc2 | ||||||||
NMT-TY0279 | O=S1(=O)NCNc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0280 | O=S1(=O)NC(C)(C)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0281 | O=S1(=O)NC(CCl)Nc(c12)c(Cl)cc(Cl)c2 | ||||||||
NMT-TY0301 | CC(O)CC(N1)NS(=O)(=O)c(c12)cc(Cl)cc2Cl | ||||||||
NMT-TY0302 | CCC(C)(N1)NS(=O)(=O)c(c12)cc(Cl)cc2Cl | ||||||||
NMT-TY0303 | C=CC(C)OC(=N1)NS(=O)(=O)c(c12)cc(Cl)cc2Cl | ||||||||
NMT-TY0304 | O=C(N1)NS(=O)(=O)c(c12)cc(Cl)cc2Cl | ||||||||
NMT-TY0305 | ClC(Cl)C(N1)NS(=O)(=O)c(c12)cc(Cl)cc2Cl | ||||||||
NMT-TY0306 | ClC(Cl)(Cl)C(N1)NS(=O)(=O)c(c12)cc(Cl)cc2Cl | ||||||||
NMT-TY0307 | Clc1cc(Cl)cc(c12)S(=O)(=O)NC(N2)Cc3ccccc3 | ||||||||
NMT-TY0308 | N1CNS(=O)(=O)c(c12)cc(Br)cc2Br | ||||||||
NMT-TY0309 | c1ccccc1C(N2)NS(=O)(=O)c(c23)cc(Br)cc3Br | ||||||||
NMT-TY0310 | Brc1cc(Br)cc(c12)S(=O)(=O)NC(N2)Cc3ccccc3 | ||||||||
NMT-TY0311 | Nc1ccc(cc1)S(=O)(=O)NC(N)=N | ||||||||
NMT-TY0312 | NC(=N)NS(=O)(=O)c1ccccc1[N+]([O-])=O | ||||||||
NMT-TY0313 | NC(=N)NS(=O)(=O)c1ccc([N+]([O-])=O)cc1 | ||||||||
NMT-TY0314 | Clc(c1)ccc(c12)N=C(NS2(=O)=O)OCCC | ||||||||
NMT-TY0315 | Clc(c1)ccc(c12)N=C(NS2(=O)=O)OCC | ||||||||
NMT-TY0316 | Clc(c1)ccc(c12)NC(=O)N(S2(=O)=O)C(C)C | ||||||||
NMT-TY0317 | Clc(c1)ccc(c12)N=C(NS2(=O)=O)OC(C)C | ||||||||
NMT-TY0319 | Clc(c1)ccc(c12)N=C(NS2(=O)=O)OCCCC | ||||||||
NMT-TY0320 | Clc(c1)ccc(c12)NC(=O)N(S2(=O)=O)C(C)CC | ||||||||
NMT-TY0321 | Clc(c1)ccc(c12)N=C(NS2(=O)=O)OC(C)CC | ||||||||
NMT-TY0322 | Clc(c1)ccc(c12)NC(=O)N(S2(=O)=O)Cc3ccccc3 | ||||||||
NMT-TY0323 | Clc(c1)ccc(c12)N=C(NS2(=O)=O)OCc3ccccc3 | ||||||||
NMT-TY0324 | S=C(N1)NC(=O)C(C12)NC(=S)N2 | ||||||||
NMT-TY0325 | CCC(C)OC(=N1)NS(=O)(=O)c(c12)cccc2 | ||||||||
NMT-TY0326 | CCCN(C(=O)N1)S(=O)(=O)c(c12)cc(Cl)c(Cl)c2 | ||||||||
NMT-TY0327 | C#CCN(C(=O)N1)S(=O)(=O)c(c12)cc(Cl)c(Cl)c2 | ||||||||
NMT-TY0328 | CCCOC(=N1)NS(=O)(=O)c(c12)cc(Cl)c(Cl)c2 | ||||||||
NMT-TY0330 | c1c(Cl)c(Cl)cc(c12)S(=O)(=O)NC(=N2)OC(C)C | ||||||||
NMT-TY0331 | Clc(c1)c(Cl)cc(c12)N=C(NS2(=O)=O)OCC | ||||||||
NMT-TY0332 | Clc(c1)c(Cl)cc(c12)NC(=O)N(S2(=O)=O)C(C)C | ||||||||
NMT-TY0333 | Clc(c1)c(Cl)cc(c12)NC(=O)N(S2(=O)=O)CCCC | ||||||||
NMT-TY0334 | Clc(c1)c(Cl)cc(c12)N=C(NS2(=O)=O)OCCCC | ||||||||
NMT-TY0335 | Clc(c1)c(Cl)cc(c12)N=C(NS2(=O)=O)OC(C)CC | ||||||||
NMT-TY0336 | Clc(c1)c(Cl)cc(c12)NC(=O)N(S2(=O)=O)C(C)CC | ||||||||
NMT-TY0337 | Clc(c1)c(Cl)cc(c12)NC(=O)N(S2(=O)=O)Cc3ccccc3 | ||||||||
NMT-TY0338 | Clc(c1)c(Cl)cc(c12)N=C(NS2(=O)=O)OCc3ccccc3 | ||||||||
NMT-TY0339 | Clc(c1)c(Cl)cc(c12)N(C)C(NS2(=O)=O)OCCC | ||||||||
NMT-TY0340 | Clc(c1)ccc(c12)N=C(N(S2(=O)=O)C)OC(C)C | ||||||||
NMT-TY0341 | Clc(c1)ccc(c12)N=C(N(S2(=O)=O)C)OC(C)CC | ||||||||
NMT-TY0342 | Nc1ccc(Cl)cc1S(=O)(=O)NCc2ccccc2 | ||||||||
NMT-TY0343 | Clc(c1)ccc(c12)N(C)C(=NS2(=O)=O)OC(C)CC | ||||||||
NMT-TY0344 | Nc1ccc(Cl)cc1S(=O)(=O)NCC | ||||||||
NMT-TY0346 | Nc1ccc(Cl)cc1S(=O)(=O)NC(C)C | ||||||||
NMT-TY0347 | Nc1ccc(Cl)cc1S(=O)(=O)NCC=C | ||||||||
NMT-TY0348 | Clc1c(Cl)cc(N)c(c1)S(=O)(=O)NCCCC | ||||||||
NMT-TY0349 | Nc1cc(Cl)c(Cl)cc1S(=O)(=O)NCC | ||||||||
NMT-TY0350 | Nc1cc(Cl)c(Cl)cc1S(=O)(=O)NCCC | ||||||||
NMT-TY0351 | Nc1cc(Cl)c(Cl)cc1S(=O)(=O)NCC=C | ||||||||
NMT-TY0352 | Nc1cc(Cl)c(Cl)cc1S(=O)(=O)NC(C)C | ||||||||
NMT-TY0353 | Nc1cc(Cl)c(Cl)cc1S(=O)(=O)NCc2ccccc2 |