bb_id stringlengths 14 14 | smiles stringlengths 1 418 |
|---|---|
URSA-BB-000200 | N#Cc1cc(Cl)nnc1Cl |
URSA-BB-000201 | COc1cc(C(N)=NO)ccc1O |
URSA-BB-000202 | C[C@@H](O)C1c2ccccc2-c2ccccc21 |
URSA-BB-000203 | Cn1cc(-c2ccc3c(c2)CCN3)c2c(N)ncnc21 |
URSA-BB-000204 | O=C(O)Cc1cc(O)c(CC(=O)O)cc1O |
URSA-BB-000205 | CC(C)(C)OC(=O)N[C@@H](CSSC(C)(C)C)C(=O)O |
URSA-BB-000206 | COC(=O)c1cc(F)cc([N+](=O)[O-])c1Br |
URSA-BB-000207 | CC(=O)c1ccc(C(=O)O)c(O)c1 |
URSA-BB-000208 | COC(=O)c1ccc(C#N)c(Cl)c1 |
URSA-BB-000209 | CC(C)(C)OC(=O)NC1CC12CCNC2 |
URSA-BB-000210 | CNCC12CC3CC(CC(C3)C1)C2 |
URSA-BB-000211 | ClCc1noc(-c2ccco2)n1 |
URSA-BB-000212 | O=C(O)c1ccc(-c2ccccc2C(F)(F)F)o1 |
URSA-BB-000213 | CCc1cnnc(C(=O)O)c1 |
URSA-BB-000214 | CCC1=CCCC1=O |
URSA-BB-000215 | Cc1ccc2nc(C)c(C(=O)O)cc2c1 |
URSA-BB-000216 | C#Cc1cccc(NC(=O)OC(C)(C)C)c1 |
URSA-BB-000217 | CN1CCC2(CC1)CNCCO2 |
URSA-BB-000218 | O=[N+]([O-])c1cc(Br)c(F)cc1CO |
URSA-BB-000219 | Cn1cc(C(=O)O)c(-c2ccc3c(c2)OCCCO3)n1 |
URSA-BB-000220 | CCOC(=O)CC(=O)c1ccc(C(F)(F)F)cc1 |
URSA-BB-000221 | CCOC(=O)c1cnn(C)c1C(F)(F)F |
URSA-BB-000222 | Brc1cccc2oc3ccc(I)cc3c12 |
URSA-BB-000223 | CCn1ccnn1 |
URSA-BB-000224 | Nc1nc(=S)ss1 |
URSA-BB-000225 | O=C(Nc1ccccn1)c1cnc(Cl)c(Cl)c1 |
URSA-BB-000226 | COc1cc(CC#N)cc(C(F)(F)F)c1 |
URSA-BB-000227 | CC1(C)OB(c2ccc(OCCn3cc(COC4CCCCO4)nn3)cc2)OC1(C)C |
URSA-BB-000228 | CC(C)(C)OC(=O)N1CCCC(C(N)=S)C1 |
URSA-BB-000229 | NCc1nc(-c2cccnc2)no1 |
URSA-BB-000230 | OB(O)c1c(F)cncc1Cl |
URSA-BB-000231 | O=C(O)c1nn(-c2ccc(F)c(F)c2)ccc1=O |
URSA-BB-000232 | N#CC(=O)c1cccc(F)c1 |
URSA-BB-000233 | CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C |
URSA-BB-000234 | CC(=O)Cc1nsc(Nc2ccccc2)n1 |
URSA-BB-000235 | COC(=O)C(N)CCCN |
URSA-BB-000236 | CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1 |
URSA-BB-000237 | C[C@@H]1[C@H](N)CCCN1C(=O)OCc1ccccc1 |
URSA-BB-000238 | OB(O)c1ccc(F)c(I)c1F |
URSA-BB-000239 | Cn1nc2c(c1O)CCCC2 |
URSA-BB-000240 | CC(C)(O)C#CCO |
URSA-BB-000241 | CC1(C)OB(c2ccc(Br)nc2)OC1(C)C |
URSA-BB-000242 | C1CC(Cc2noc(C3CC3)n2)CCN1 |
URSA-BB-000243 | CSc1ccc(Br)cc1OC(F)(F)F |
URSA-BB-000244 | O=C1C2C(C(=O)N1CCO)[C@H]1C=C[C@@H]2O1 |
URSA-BB-000245 | CN(C)S(=O)(=O)CCO |
URSA-BB-000246 | CCCCCCCCCc1ccc(N)cc1 |
URSA-BB-000247 | O=C(O)c1ccc(C(F)(F)F)nc1C(=O)O |
URSA-BB-000248 | CC(Cn1cnc2ccc(Br)cc2c1=O)C(=O)O |
URSA-BB-000249 | COC(=O)C(C)Oc1ccccc1 |
URSA-BB-000250 | Nc1cc([N+](=O)[O-])c(Br)cc1C(=O)O |
URSA-BB-000251 | N#CC(N)C1CCCC1 |
URSA-BB-000252 | NC1(c2ccc3c(c2)OC(F)(F)O3)CC1 |
URSA-BB-000253 | FC(F)(F)Oc1ccc(Br)cc1C(F)(F)F |
URSA-BB-000254 | CC(=O)N1CCCC(CBr)C1 |
URSA-BB-000255 | Fc1ccc(-c2ccccn2)cc1F |
URSA-BB-000256 | Cc1ccc(-c2[nH]c(C#N)nc2Cl)cc1 |
URSA-BB-000257 | CCC[C@H](N)CC(=O)O |
URSA-BB-000258 | Nc1cc(-c2cccs2)nn1-c1ccccc1 |
URSA-BB-000259 | COc1cccc(CNCc2ccc(OC)cc2OC)c1 |
URSA-BB-000260 | CN(C(=O)CCl)C1CCCc2ccccc21 |
URSA-BB-000261 | O=C(O)c1cnc(N2CCCCC2)nc1C1CC1 |
URSA-BB-000262 | CCN1CCN(c2ccc(N)cc2)CC1 |
URSA-BB-000263 | CN1C2CCC1C(=O)C2 |
URSA-BB-000264 | CSc1ccc(C(O)C(N)CO)cc1 |
URSA-BB-000265 | COC(=O)C1(C(=O)O)CCOC1 |
URSA-BB-000266 | Cc1c(NN=C2C=NC(=N)S2)c(=O)n(-c2ccccc2)n1C |
URSA-BB-000267 | NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1 |
URSA-BB-000268 | CN(C)c1ccc(C=O)cc1C#N |
URSA-BB-000269 | Fc1ccc(-c2nnc(C3CCNCC3)o2)cc1 |
URSA-BB-000270 | CC(C)Oc1cccnc1Br |
URSA-BB-000271 | CCN1CCCC1CNC(=O)OC(C)(C)C |
URSA-BB-000272 | O=S(=O)(F)Cc1cc[nH]n1 |
URSA-BB-000273 | Cc1ccc(-c2cc(CBr)on2)cc1 |
URSA-BB-000274 | CCOc1ccc(F)cc1N |
URSA-BB-000275 | CC(C)(C)C(=O)Cn1cccn1 |
URSA-BB-000276 | Cn1ccc2ccc(CN)cc21 |
URSA-BB-000277 | c1ccc2c(c1)ccc1op(N3CCCCC3)oc3ccc4ccccc4c3c12 |
URSA-BB-000278 | CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C1 |
URSA-BB-000279 | NC(CC(=O)O)Cc1cc(F)c(F)cc1F |
URSA-BB-000280 | CC(C)(C)OC(=O)N1CC(C)(C(=O)O)C1 |
URSA-BB-000281 | Brc1ccc2nc3c(cc2c1)CCCO3 |
URSA-BB-000282 | CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OC)cc1 |
URSA-BB-000283 | CC(=O)N1[C@H]2CC3CCC2(CS1(=O)=O)C3(C)C |
URSA-BB-000284 | COc1cc2nc(CCl)n(CC(C)=O)c(=O)c2cc1OC |
URSA-BB-000285 | ClCc1cn2ccccc2n1 |
URSA-BB-000286 | CCCOc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1 |
URSA-BB-000287 | CCOC(=O)/C(C#N)=N/OC(N(C)C)=[N+](C)C |
URSA-BB-000288 | Cc1c(N)cccc1-c1nc2ccccc2[nH]1 |
URSA-BB-000289 | COC(=O)c1cc(Cl)c(Br)s1 |
URSA-BB-000290 | O=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 |
URSA-BB-000291 | NCc1cscn1 |
URSA-BB-000292 | N#CC(N)c1cccc(Cl)c1Cl |
URSA-BB-000293 | CCCCc1nc(C)c(CC(=O)OC)c(=O)[nH]1 |
URSA-BB-000294 | [C-]#[N+]Cc1ccc2c(c1)OCO2 |
URSA-BB-000295 | O=C1CCC(CCNCc2ccccc2)C1 |
URSA-BB-000296 | Cc1cc(O)c(Cl)cc1B1OC(C)(C)C(C)(C)O1 |
URSA-BB-000297 | CNc1ncc(C(=O)OC)s1 |
URSA-BB-000298 | Cc1cc(=O)c2cnn(C)c2[nH]1 |
URSA-BB-000299 | Ic1cncc2ncnn12 |
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