product_smiles stringlengths 4 104 | rule_id int64 0 11.2k |
|---|---|
Clc1cc(cc(Cl)c1C(C(N2CCCC2)=O)c3ccc(cc3)Cl)N4N=CC(NC4=O)=O | 263 |
c1cc(ccc1OC(C(N(C(C)C)Cc2nc(-c3cccnc3)no2)=O)C)CCC | 263 |
CC(C)(C)OC(=O)N1C(CN(CC1C)Cc2ccc(cc2)C(C)(C)C(N3CCC(CC3)Nc4ccc(cc4)F)=O)C | 264 |
C1CN(CCN1C(C(NC(N(CCC2CCCCC2)CCSC(=O)C)=O)C)=O)C | 265 |
C1CN(CCN1C(C2CCN(CC2)c3c(cncc3F)NC(c4c5n(cc(F)cn5)nc4N)=O)=O)C6COC6 | 265 |
c1ccccc1-n2ccc(CN3CCN(c4c5c(cccn5)cc(C)c4OCC(=O)N6CC(C6)C(=O)OC)CCC3)n2 | 266 |
C(Cn1c2c3c(cccc3)ncc2nc1CCC)CCCC(=O)N(OC)C | 267 |
CC(C)(C)OC(=O)N1CCC(CC1)CN(c2cccc(Cl)c2)C(CC)=O | 268 |
c1cc(ccc1CC(C)NC(=O)C)Br | 269 |
CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O | 270 |
CC(C)(C)OC(=O)Nc1ccc(cc1)CC(NC=2C(=O)N(C(NC=2N)=O)Cc3ccccc3F)=O | 271 |
C1C(CC(NCC(N)=O)=O)CC(C)CC1 | 272 |
CC(C)(C)OC(NC(C1CCCCC1)C(=O)NC(C(=O)N)Cc2cnccc2)=O | 273 |
CN(C)C(=O)C(Cc1ccc(cc1)-c2ccccc2)NC(=O)C3(CCCC3)CC(=C)Cl | 274 |
O=S(=O)(C)CCC(Cc1cccc(C#N)c1)(C(=O)NCC(NCc2sc(C#N)cc2)=O)NC(=O)OC | 274 |
c1cccc2-c3ccccc3C(c12)COC(=O)NCC(=O)NC(Cc4ccccc4)C(NCC(=O)O)=O | 275 |
c12-c3ccccc3C(c1cccc2)COC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)O | 276 |
CC(C)CC(C(=O)NC(C(OC)=O)CCC(NCCCN=[N+]=[N-])=O)NC(C(NC(=O)OCc1ccccc1)CC#C)=O | 277 |
c1cc(ccc1CN2CCN(CC2)c3ncccn3)CNC(CC)=O | 278 |
CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O | 279 |
C1CC(CCN1C2CC3(C2)CN(C(=O)OCC)CC3)C(=O)NC4(CCC4)C | 280 |
C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O | 281 |
c1cccc2[nH]cc(CNC(C3N(C(=O)C(C)N4Cc5ccccc5C4=O)CC(O)C3)=O)c12 | 282 |
C1CN(CCC1OC(=O)NC2(CCCCC2)C(=O)NC(C(C(NC3CCCCNC3=O)=O)O)C(C)C)C(OC)=O | 283 |
C1N(c2nc3c(ncnc3cc2)N)CCCC1NC(=O)CCOC | 283 |
c1cc(ccc1C(NC2(CC2)C(NC3c4n(-c5c(cccc5)CC3)ccn4)=O)=O)F | 284 |
CC(C)(C)CC1NC(C(c2cc(Cl)ccc2)C1(C#N)c3ccc(Cl)nc3)C(NCCC4OC(C)(C)OC4)=O | 285 |
c1cc(ccc1)COC(=O)CC2(CCCC2)C(NC(c3nnn[nH]3)Cc4ccc(cc4)-c5cc(Cl)ccc5)=O | 286 |
c1cc(ccc1C#N)CCNC(Cn2cnc3N(C(N(C)C(c23)=O)=O)C)=O | 286 |
c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2 | 286 |
C1CN(CCC1Nc2ccc(N3CC(CNC(=O)C)OC3=O)cc2F)C(=O)OCc4ccccc4 | 287 |
C1CC(CCC1)NC(C2(CC2)c3c(F)cc(cc3)Br)=O | 288 |
C(C)C(CC)CNC(=O)CN1C=CC=C(NC(=O)OCc2ccccc2)C1=O | 289 |
O=S(=O)(NCCC(=O)NC(c1cncn1C)(C)c2ccc(c(F)c2)C#N)c3cc(OC)ccc3 | 290 |
c1cc(ccc1CC(NCCN)=O)C2CC(NC(c3cc(c(cc3)F)OC)C)CC2 | 290 |
c1ccccc1-n2nc(cc2OCC(=O)N3C(CCC3)C(NCCF)=O)C(OCC)=O | 291 |
C1CCCCC1CNC(=O)NNC(CCN2CCN(CC2)c3ccccc3OC)=O | 292 |
c1cc(ccc1OCc2c3c(nc(c2)C)cccc3)NC(=O)C4C(C(=O)NO)CC5(CC5)CN4C | 293 |
O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C | 294 |
O=S(=O)(C)C(CCc1cc(on1)C#CC2CC2)(C(=O)NO)C | 295 |
C1CC1C#Cc2cc(no2)CCC(S(=O)(=O)C)(C)C(NOC3CCCCO3)=O | 296 |
CC(C)(C)OC(=O)NC1(CC1CC)C(NS(=O)(=O)OC2(CC2)C)=O | 297 |
c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl | 298 |
c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F | 299 |
C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3 | 300 |
C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C | 300 |
C(C)OP(OCC)(=O)CC(=O)Nc1cc2c(cn1)ncnc2Nc3ccc4n(Cc5cccc(F)c5)ncc4c3 | 301 |
C(OP(OCC)(=O)CC(Nc1cc2c(Nc3cc(Br)c(Br)cc3)ncnc2cn1)=O)C | 301 |
C1CCCC1CC(C(Nc2ncc(Br)cc2)=O)c3ccc(c(F)c3)-n4c(nnn4)C | 302 |
FC(F)(F)C1N(c2ncc(cn2)-c3cccc(NC(C(C)n4cnc5N(C)C(=O)N(C(=O)c45)C)=O)n3)CCC1 | 303 |
c1cc(ccc1F)-c2c(C(NC)=O)c3c(ccc(c3)-c4cccc(C(=O)NC(C)(C)C(Nc5noc(C)c5)=O)c4)o2 | 303 |
c1cc(ccc1)C(c2cc3[nH]nc(-c4ccccc4)c3cc2)C(C)(C)C(=O)Nc5sccn5 | 304 |
FC(F)(F)c1cc(ccc1)S(=O)(=O)CCSc2c(NC(Cc3c(cccc3)OC)=O)cccn2 | 305 |
CC(C)(CC)c1ccc(OC(C(=O)Nc2cc(O)c(cc2)NC(=O)C(F)(F)C(Cl)F)CC)c(c1)C(C)(C)CC | 306 |
CC(C)(CC)c1ccc(OCC(=O)Nc2ccc(cc2)Nc3cc(ccc3)O)c(C(C)(C)CC)c1 | 306 |
c1(c[nH]c2c1cc(cc2)NC(CCCCC)=O)Cc3c(cc(cc3)C(=O)OC)OC | 306 |
c12c(-c3c(c4c(cccc4)c(n3)O)C1)ccc(NC(=O)CCl)c2 | 306 |
c1cc(ccc1N2CCc3cc(ccc3C2Cc4ccc(cc4)OCc5ccccc5)OC)NC(=O)C | 306 |
n1cc(-c2cc(NC(CC)=O)ccc2)nc3ccccc13 | 306 |
O=S(=O)(Nc1scnn1)c2ccc(cc2)NC(=O)CCCCCCCCC | 307 |
c1cc(ccc1Cl)CN2C(C(=NN(c3cccc(NC(=O)COC)c3)C2=O)OC)=O | 307 |
CC(C)(C)C(=O)OCn1nc(N2C(C(C(O)C(Nc3ccc(cc3C(N)=O)I)=O)OCC2)=O)cc1 | 308 |
c1ccccc1CCC(C(NC(CC(C)C)C(Nc2ccccc2)=O)=O)CSC(C)=O | 308 |
c1cc(ccc1Br)CN(c2ccc(cc2)NC(=O)C)n3cnnc3 | 309 |
c1cc(ccc1C=2c3c(CC(NN=2)=O)cc4OCOc4c3)NC(C)=O | 309 |
c1cc(ccc1NC(=O)C)N2C(=O)CCCC2c3cc(c(Cl)cc3)Cl | 309 |
c1cc(ccn1)-c2c(F)c(NC(=O)C)ccc2F | 309 |
FC(F)(F)C(NC(=O)C(N1CCC(C1(C)C)C(Nc2cc(c(F)c(c2)F)Cl)=O)=O)C | 310 |
CC(C)(C)OC(=O)N1CC(OC)CC1C(=O)Nc2ccc(cc2F)-n3ccc(C)n3 | 311 |
CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(cc2)C#N)CC1C(Nc3c(cccc3)N)=O | 311 |
CC(C)(C)OC(=O)c1ccc(cc1)C(C(Nc2ccccc2)=O)CNC(C)=O | 311 |
c1cc(N)c(NC(CCCCCCCNC(=O)c2c(C)[nH]c(C=NN=C3c4c(ccc(F)c4)NC3=O)c2C)=O)cc1 | 311 |
FC(F)(F)C(O)(C(Nc1ccc(c(OC)c1)S(=O)(=O)c2ccncc2)=O)C | 312 |
c1cc(ccc1OCCCCCCCCCCCCCC)CC(=O)Nc2cccc(CO)c2 | 313 |
c12NC(Cc1ccc(c2)-c3cc(OCC)ccc3)=O | 314 |
C1OC(CCC1)OCC2CCc3cc(NC(C)=O)ccc3O2 | 315 |
O=S1(=O)CCCN1c2ccc(cc2)NC(=O)C(CCC)Oc3cccc(-c4noc(n4)C)c3 | 316 |
C1CC(CCO1)CC(C(=O)N(C)OC)c2nn(C)c(SC)c2 | 317 |
c1cc(ccc1[N+]([O-])=O)COC(C2=CSC3N2C(C3(Br)C(c4cc5COCCn5n4)OC(C)=O)=O)=O | 318 |
c1cc(ccc1CN(Cc2n(ccn2)C)Cc3[nH]ccn3)CN(CCC(=O)OCC)CCCCN(CCC)CCC | 319 |
FC(F)(F)Oc1ccc(cc1)-c2ccc3n(Cc4ccc(cc4)C)c(cc3c2)COC(C)=O | 320 |
C(OC(=O)C)c1c(Br)c(C)cc(OC(=O)C)c1 | 321 |
CC(C)(O)c1ccc2c(CCN(C2=O)c3cccc(Br)c3COC(=O)C)c1 | 322 |
CC(C)(C)OC(N1CCC2(CC1)c3n(c(cc3)C#N)-c4c(cc(COC(C)=O)cc4)O2)=O | 323 |
c1(Br)cc(cc(Br)c1COC(C)=O)F | 324 |
Cc1cc(cc(C)c1O)CC(OC)=O | 325 |
C(CCCCCCC(=O)OCCCCCC)C=CCCCCCCCC | 326 |
c1cc(ccc1)COC(COc2cc(C)c(c(c2)C)S(=O)(=O)Cl)=O | 326 |
C1CC(CCN1C(c2ccccc2)C(OC3CN4CCC3CC4)=O)C(N)=O | 327 |
C1CC(=O)N(C1=O)OC(CCCOc2cc3c(C(CCCN(C)C)c4c(cccc4)CC3)cc2)=O | 328 |
CC(C)C(c1cc(C)ccc1OC)CCC(=O)O | 329 |
C1N(CC1SC(=O)C)c2scc(C(=O)NC3CN(CC3)C(=O)OCc4ccc(cc4)[N+]([O-])=O)n2 | 330 |
CC(C)(C)OC(NCC(SC(C)=O)C)=O | 331 |
c1cc(ccc1C(Cc2c(ccc(-c3sccc3)c2)OC)=O)F | 332 |
CC(C)(C)OC(=O)N1CC(C(c2cc(F)c(Cl)cc2)=O)CC1 | 333 |
c1cc(ccc1CC(=O)c2ccc(cc2)F)SC | 334 |
CCC(c1cccnc1F)=O | 335 |
n1ccc2cccc(c2c1)C(=O)C | 336 |
C1CCCCN1c2ccc(cc2)C3(OC)OC3(C)C | 337 |
CC1(C)c2ccc(NC(=O)C)cc2NC(C1)=O | 338 |
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