ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1929386 | CCOC1CCN(C(=O)CC2=CCCCC2)C2CCOC12 | [C][C][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][C][O][C][Ring2][Ring1][C][Ring1][Branch1] | C15CCN3C2CCOC12.C3(=O)CC1=CCCCC1.CC4.O45 |
1929387 | Cc1n[nH]c(CC2OCC3CN(C(=O)c4ccncn4)CCC32)n1 | [C][C][=N][NH1][C][Branch2][Ring1][=N][C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C][C][Ring1][=C][Ring1][P][=N][Ring2][Ring1][#Branch1] | C17OCC2CN5CCC21.Cc1n[nH]c8n1.c16ccncn1.C56=O.C78 |
1929388 | COCCC1COC2(CCN(c3ccc(C#N)cc3)C2)C1 | [C][O][C][C][C][C][O][C][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][=N][C][Ring1][P] | C16COC2(CCN5C2)C1.c15ccc(C#N)cc1.C4C6.CO4 |
1929389 | Cc1ccc(C(=O)N2CCOCC2c2csc(C)n2)s1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | N13CCOCC15.Cc1ccc4s1.c15csc(C)n1.C34=O |
1929390 | Cc1nc(C2COCCN2Cc2ccncc2)cs1 | [C][C][=N][C][Branch2][Ring1][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][C] | C15COCCN13.Cc1nc5cs1.c14ccncc1.C34 |
1929391 | c1cncc(OC2COC3(CCN(Cc4cccs4)C3)C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][O][C][C][O][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][#C][=C][Ring2][Ring1][=Branch1] | C15COC2(CCN7C2)C1.c1cncc6c1.c18cccs1.O56.C78 |
1929393 | Cc1nc(C2COCCN2C(=O)c2cc3ccccc3o2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][S][Ring2][Ring1][=Branch1] | c15cc2ccccc2o1.C16COCCN14.Cc1nc6cs1.C45=O |
1929394 | c1cc(NCC2CC2)nc(C2COCCN2Cc2ccsc2)n1 | [C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=N][C][Branch1][P][C][C][O][C][C][N][Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | c1cc5nc8n1.C18COCCN14.c17ccsc1.C16CC1.N35.C36.C47 |
1929395 | Cc1noc(CC2CC3CN(C(=O)c4ccnnc4)CC3O2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=N][O][Ring1][S][=N][Ring2][Ring1][=Branch1] | C17CC2CN5CC2O1.Cc1noc8n1.c16ccnnc1.C56=O.C78 |
1929396 | c1cc(NC2CCC2)nc(C2COCCN2Cc2ccsc2)n1 | [C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][=N][C][Branch1][P][C][C][O][C][C][N][Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][#Branch1] | c1cc4nc7n1.C17COCCN13.c16ccsc1.C15CCC1.N45.C36 |
1929398 | c1cncc(NC2COC3(CCN(Cc4cccs4)C3)C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][N][C][C][O][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][#C][=C][Ring2][Ring1][=Branch1] | C17COC2(CCN5C2)C1.c1cncc6c1.c18cccs1.N67.C58 |
1929399 | O=C(NC1COCCC12CCN(c1ncccn1)CC2)C1CC1 | [O][=C][Branch2][Ring1][O][N][C][C][O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][C][C][Ring1][Ring1] | C15COCCC12CCN4CC2.c14ncccn1.O=C36.C16CC1.N35 |
1929400 | CCn1nc(C)cc1C(=O)N1CC2OCC(c3nc(C)no3)C2C1 | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Ring1][O][C][Ring1][=C] | N14CC2OCC7C2C1.n16nc(C)cc15.c17nc(C)no1.C45=O.CC6 |
1929401 | Cc1nnc(N2CCCC3(CC(Oc4cccnc4)CO3)C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P][S][Ring2][Ring1][=Branch1] | N17CCCC2(CC5CO2)C1.Cc1nnc7s1.c16cccnc1.O56 |
1929402 | O=C(Cc1ccccc1F)N1CCC(OCC2CC2)C2OCCC21 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][O][C][C][C][Ring1][Branch1][Ring1][=C] | N13CCC5C2OCCC21.c17ccccc1F.O=C3C7.C16CC1.O45.C46 |
1929403 | Cc1noc(CC2COC3CN(Cc4csc(C)n4)CC23)n1 | [C][C][=N][O][C][Branch2][Ring1][O][C][C][C][O][C][C][N][Branch1][N][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][Ring1][N][=N][Ring2][Ring1][Branch1] | C18COC2CN5CC12.Cc1noc6n1.c17csc(C)n1.C68.C57 |
1929405 | Cc1ncoc1C(=O)N1CCC(Oc2ccccn2)C2OCCC21 | [C][C][N][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][Ring1][Branch1][Ring1][S] | N13CCC5C2OCCC21.Cc1ncoc16.c14ccccn1.C36=O.O45 |
1929406 | COc1cccc(CC(=O)N2CCC(OCC3CC3)C3OCCC32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][O][C][C][C][Ring1][Branch1][Ring1][=C][=C][Ring2][Ring1][#Branch1] | N14CCC6C2OCCC21.c17cccc9c1.C9C4=O.C18CC1.CO7.O56.C58 |
1929407 | CS(=O)(=O)N1CC2OCC(C(=O)NCc3ccco3)C2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][C][Ring1][P] | N16CC2OCC7C2C1.c18ccco1.CS6(=O)=O.C47=O.N45.C58 |
1929409 | Cc1nc(C2COCCN2C(=O)c2cccs2)cs1 | [C][C][=N][C][Branch2][Ring1][Ring2][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][S][Ring2][Ring1][C] | C15COCCN13.Cc1nc5cs1.c14cccs1.C34=O |
1929411 | Cc1nc(C2COCCN2C(=O)c2cccn2C)cs1 | [C][C][=N][C][Branch2][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][=C][S][Ring2][Ring1][Ring1] | C15COCCN13.Cc1nc5cs1.c14cccn1C.C34=O |
1929412 | Cc1noc(CC2CC3CN(C(=O)c4cccn4C)CC3O2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][=N][O][Ring1][S][=N][Ring2][Ring1][=Branch1] | C17CC2CN5CC2O1.Cc1noc8n1.c16cccn1C.C56=O.C78 |
1929413 | O=C(NC1COCCC12CCN(c1ncc(F)cn1)CC2)C1CC1 | [O][=C][Branch2][Ring1][=C][N][C][C][O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=N][C][C][C][Ring1][Ring1] | C15COCCC12CCN4CC2.c14ncc(F)cn1.O=C36.C16CC1.N35 |
1929414 | COCC1CC2(CCN(C(=O)COc3ccccc3)CC2)CO1 | [C][O][C][C][C][C][Branch2][Ring1][Branch2][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][O][Ring2][Ring1][Ring2] | C18CC2(CCN4CC2)CO1.c17ccccc1.C4(=O)C6.CO5.C58.O67 |
1929415 | CN(Cc1ccccn1)C1COC2(CCN(Cc3ccncc3)C2)C1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][C][Branch2][Ring1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N][C][Ring1][S] | C16COC2(CCN5C2)C1.c17ccccn1.c18ccncc1.CN46.C47.C58 |
1929416 | Cc1nc(CN2CCC3(CC(OCC4CC4)CO3)C2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][N][C][C][C][Branch1][S][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][O][Ring1][#Branch2][C][Ring1][=C][=C][S][Ring2][Ring1][Ring2] | N17CCC2(CC6CO2)C1.Cc1nc8cs1.C19CC1.C78.O56.C59 |
1929417 | Cc1nc(C2COCCN2C(=O)c2cc3ccccc3s2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][S][Ring2][Ring1][=Branch1] | c15cc2ccccc2s1.C16COCCN14.Cc1nc6cs1.C45=O |
1929418 | CC(C)Nc1ccnc(C2COCCN2Cc2ccccc2F)n1 | [C][C][Branch1][C][C][N][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring2] | c15ccnc7n1.C17COCCN14.c16ccccc1F.CC3C.N35.C46 |
1929419 | c1cncc(CNc2ccnc(C3COCCN3CC3CC3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][C][N][C][=C][C][=N][C][Branch1][#C][C][C][O][C][C][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][=N][Ring1][S][=C][Ring2][Ring1][Branch2] | c16ccnc9n1.C19COCCN15.c1cncc8c1.C17CC1.C48.N46.C57 |
1929420 | COCCC1COC2(CCN(c3cccnc3)CC2)C1 | [C][O][C][C][C][C][O][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S] | C16COC2(CCN5CC2)C1.c15cccnc1.C4C6.CO4 |
1929421 | COCCC1COC2(CCN(C(=O)Cc3ccccc3)CC2)C1 | [C][O][C][C][C][C][O][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1] | C16COC2(CCN4CC2)C1.c17ccccc1.C4(=O)C7.C5C6.CO5 |
1929422 | Cc1ccc(CN2CC3OCC(COc4ccncc4)C3C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring1][S][S][Ring2][Ring1][=Branch1] | N17CC2OCC9C2C1.Cc1ccc8s1.c16ccncc1.C78.C59.O56 |
1929423 | Cn1cccc1C(=O)N1CCC2(CC1)CC(c1ccccc1)CO2 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][=N] | N13CCC2(CC1)CC5CO2.Cn1cccc14.c15ccccc1.C34=O |
1929424 | Cc1ccc(C(=O)N2CCC3(CC2)CC(c2cnn(C)c2)CO3)cn1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][O][Ring1][=N][C][=N][Ring2][Ring1][Branch2] | N14CCC2(CC1)CC6CO2.Cc1ccc5cn1.c16cnn(C)c1.C45=O |
1929425 | COC1COC2(CCN(C(=O)CC3CCCC3)CC2)C1 | [C][O][C][C][O][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C] | C15COC2(CCN4CC2)C1.C16CCCC1.C4(=O)C6.CO5 |
1929426 | COC1COC2(CCN(C(=O)Cc3cccnc3)CC2)C1 | [C][O][C][C][O][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1] | C15COC2(CCN4CC2)C1.c16cccnc1.C4(=O)C6.CO5 |
1929427 | CNC(=O)COC1COC2(CCN(c3cnccn3)CC2)C1 | [C][N][C][=Branch1][C][=O][C][O][C][C][O][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S] | C16COC2(CCN7CC2)C1.c17cnccn1.C4(=O)C5.CN4.O56 |
1929429 | CN(C)C(=O)COC1COC2(CCN(c3cnccn3)CC2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][O][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S] | C16COC2(CCN7CC2)C1.c17cnccn1.C4(=O)C5.CN4C.O56 |
1929430 | COc1ccc(CC(=O)N2CCC(OCC3CC3)C3OCCC32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][O][C][C][C][Ring1][Branch1][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | N14CCC6C2OCCC21.c17ccc9cc1.C9C4=O.C18CC1.CO7.O56.C58 |
1929431 | O=C(c1cccs1)N1CCC2(CC1)CC(Oc1cccnc1)CO2 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][Ring1][=C] | N13CCC2(CC1)CC4CO2.c15cccnc1.c16cccs1.O=C36.O45 |
1929432 | COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCC(C)C)C=C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | c14cc2c(cc15)CC(=O)N7C=C2.C7C3=O.C6C(C)C.CO4.O5C.N36 |
1929433 | C=CCNC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O | [C][=C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][Ring1][#C][=O] | N17C=Cc2cc4c5cc2CC1=O.C3(=O)C7.C=CC6.N36.O4C.O5C |
1929434 | CC(C)c1c2cn[nH]c2nc2c1oc1cc(O)ccc12 | [C][C][Branch1][C][C][C][=C][C][=N][NH1][C][Ring1][Branch1][=N][C][=C][Ring1][=Branch2][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] | c13c2cn[nH]c2nc2c1oc1cc(O)ccc12.CC3C |
1929435 | CCc1nc(C)sc1C(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | [C][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N13CC2CC(C1)c1cccc(=O)n1C2.c15nc(C)sc14.C34=O.CC5 |
1929436 | CCCCNC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O | [C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][Ring1][#C][=O] | N17C=Cc2cc4c5cc2CC1=O.CCCC6.C3(=O)C7.N36.O4C.O5C |
1929437 | O=C(C1CCOC1)N1CCC2(CC1)CC(Oc1ccccc1)CO2 | [O][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][=C] | N13CCC2(CC1)CC4CO2.c15ccccc1.C16CCOC1.O=C36.O45 |
1929438 | COc1ccc2cc(NC(=O)c3cc(=O)c(OC)co3)cnc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][O][Ring1][=Branch2][C][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2cc7cnc2c1.c18cc(=O)c6co1.C48=O.CO5.N47.O6C |
1929439 | CCC1COC2(CCCN(C(=O)Cc3cccnc3)C2)C1 | [C][C][C][C][O][C][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1] | C15COC2(CCCN4C2)C1.c16cccnc1.C4(=O)C6.CC5 |
1929440 | COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC(C)C)C=C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | c14cc2c(cc15)CC(=O)N7C=C2.C7C3=O.C6(C)C.CO4.O5C.N36 |
1929441 | COCCC1COC2(CCCN(C(=O)c3cccs3)C2)C1 | [C][O][C][C][C][C][O][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=N][C][Ring1][P] | C17COC2(CCCN4C2)C1.c16cccs1.C5C7.C46=O.CO5 |
1929442 | COCCC1COC2(CCCN(C(=O)Cc3cccnc3)C2)C1 | [C][O][C][C][C][C][O][C][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1] | C16COC2(CCCN4C2)C1.c17cccnc1.C4(=O)C7.C5C6.CO5 |
1929444 | CNC(=O)COC1COC2(CCCN(C(=O)c3cccs3)C2)C1 | [C][N][C][=Branch1][C][=O][C][O][C][C][O][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=N][C][Ring1][P] | C17COC2(CCCN5C2)C1.c18cccs1.C4(=O)C6.C58=O.CN4.O67 |
1929445 | CC(C)Cc1c2cn[nH]c2nc2c1oc1cc(O)ccc12 | [C][C][Branch1][C][C][C][C][=C][C][=N][NH1][C][Ring1][Branch1][=N][C][=C][Ring1][=Branch2][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] | c13c2cn[nH]c2nc2c1oc1cc(O)ccc12.CC(C)C3 |
1929446 | O=C(c1cnccn1)N1CCCC2(CC(Oc3cccnc3)CO2)C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(CC5CO2)C1.c17cnccn1.c16cccnc1.O=C47.O56 |
1929447 | Cc1ccc(CN2CCCC3(CC(Oc4ncccn4)CO3)C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P][S][Ring2][Ring1][#Branch1] | N17CCCC2(CC6CO2)C1.Cc1ccc8s1.c15ncccn1.C78.O56 |
1929448 | Cc1cc(C(=O)N2CCCC3(CC(Oc4ncccn4)CO3)C2)[nH]n1 | [C][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P][NH1][N][=Ring2][Ring1][Branch2] | N15CCCC2(CC7CO2)C1.Cc1cc8[nH]n1.c16ncccn1.C58=O.O67 |
1929449 | Cn1cccc1C(=O)N1CCCC2(CC(Nc3cccnc3)CO2)C1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(CC6CO2)C1.Cn1cccc17.c15cccnc1.C47=O.N56 |
1929450 | CC(C)Cn1nnc2ccc(NC(=O)c3cccnc3)cc2c1=O | [C][C][Branch1][C][C][C][N][N][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | n17nnc2ccc5cc2c1=O.c16cccnc1.CC(C)C7.C46=O.N45 |
1929451 | Cc1nn(C)c(C)c1NC(=O)c1cc(-c2cccnc2)n[nH]1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | Cc1nn(C)c(C)c14.c15cc6n[nH]1.c16cccnc1.C35=O.N34 |
1929452 | CN(CCO)C(=O)CN1C(=O)c2ccccc2Sc2ncccc21 | [C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | C3(=O)CN1C(=O)c2ccccc2Sc2ncccc21.CN34.C4CO |
1929453 | Cc1nc(C(C)C)c(C(=O)Nc2ccc3c(c2)ncn3C)s1 | [C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][S][Ring2][Ring1][Branch1] | c15ccc2c(c1)ncn2C.Cc1nc7c6s1.C7(C)C.C46=O.N45 |
1929454 | c1cnc(N2CCCC3(CC(n4cnnc4)CO3)C2)cn1 | [C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][Branch1][S][C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][O][Ring1][#Branch2][C][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | N15CCCC2(CC6CO2)C1.c1cnc5cn1.n16cnnc1 |
1929455 | C=CCOC1COC2(CCCN(C(=O)c3ccno3)C2)C1 | [C][=C][C][O][C][C][O][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][Ring1][=N][C][Ring1][P] | C16COC2(CCCN4C2)C1.c17ccno1.C=CC5.C47=O.O56 |
1929456 | O=C(c1ccno1)N1CCCC2(CC(Oc3cccnc3)CO2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(CC5CO2)C1.c16cccnc1.c17ccno1.O=C47.O56 |
1929457 | CC(NC(=O)Cc1ccc2c(c1)OCC2)c1nc2ccccc2n1C | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c15nc2ccccc2n1C.c16ccc2c(c1)OCC2.C3(=O)C6.CC45.N34 |
1929459 | Cn1cnc(S(=O)(=O)N2CCCC3(CCNC3=O)C2)c1 | [C][N][C][=N][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][C][C][N][C][Ring1][Branch1][=O][C][Ring1][O][=C][Ring2][Ring1][Ring1] | N14CCCC2(CCNC2=O)C1.Cn1cnc(S4(=O)=O)c1 |
1929460 | Cc1csc(NC(=O)c2ccc(-c3nnn(C(C)C)n3)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][N][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=Ring1][Branch2][C][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1] | c16ccc8cc1.Cc1csc5n1.c18nnn7n1.C46=O.C7(C)C.N45 |
1929461 | CN1CCC2(CCCN(C(=O)c3ccnn3C)C2)C1=O | [C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C][=O] | CN1CCC2(CCCN4C2)C1=O.c15ccnn1C.C45=O |
1929462 | O=C(CC1Oc2ccccc2NC1=O)NCc1c(F)cccc1F | [O][=C][Branch1][P][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | C15Oc2ccccc2NC1=O.c16c(F)cccc1F.O=C3C5.N34.C46 |
1929463 | COCCN1CCC2(CCCN(C(=O)N3CCCC3)C2)C1=O | [C][O][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][P][=O] | N17CCC2(CCCN4C2)C1=O.N15CCCC1.C6C7.C45=O.CO6 |
1929464 | COCCN1CCC2(CCCN(C(=O)c3ccnn3C)C2)C1=O | [C][O][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C][=O] | N17CCC2(CCCN4C2)C1=O.c16ccnn1C.C5C7.C46=O.CO5 |
1929465 | COCc1nnc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Branch1] | c17n[nH]c2c1COc1ccccc1-2.c18nnc6s1.C47=O.CO5.C58.N46 |
1929466 | C=CCN1CCC2(CCCN(S(=O)(=O)c3cn(C)cn3)C2)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | N15CCC2(CCCN4C2)C1=O.S4(=O)(=O)c1cn(C)cn1.C=CC5 |
1929467 | C=CCN1CCC2(CCCN(C(=O)N3CCCC3)C2)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][P][=O] | N16CCC2(CCCN4C2)C1=O.N15CCCC1.C=CC6.C45=O |
1929468 | C=CCN1CCC2(CCCN(C(=O)c3ccnn3C)C2)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C][=O] | N16CCC2(CCCN4C2)C1=O.c15ccnn1C.C=CC6.C45=O |
1929469 | C=CCN1CCC2(CCCN(C(=O)c3ccsc3)C2)C1=O | [C][=C][C][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=N][C][Ring1][P][=O] | N16CCC2(CCCN4C2)C1=O.c15ccsc1.C=CC6.C45=O |
1929470 | CC(C)NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | C3(=O)CN1C(=O)c2ccccc2Sc2ncccc21.CC4C.N34 |
1929471 | CS(=O)(=O)N1CCCC2(CCN(Cc3cccnc3)C2=O)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N14CCCC2(CCN5C2=O)C1.c16cccnc1.CS4(=O)=O.C56 |
1929472 | CC(C)n1nnc(-c2ccc(C(=O)Nc3nccs3)cc2)n1 | [C][C][Branch1][C][C][N][N][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][Ring1] | c18ccc6cc1.n17nnc8n1.c15nccs1.CC7C.C46=O.N45 |
1929473 | CCS(=O)(=O)N1CCCC2(CCN(Cc3cccnc3)C2=O)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N14CCCC2(CCN5C2=O)C1.c16cccnc1.CCS4(=O)=O.C56 |
1929474 | O=C(NC1CC1)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N15CCCC2(CCN7C2=O)C1.c18ccncc1.O=C45.C16CC1.N46.C78 |
1929475 | O=C(C1CCOC1)N1CCCC2(CCN(Cc3ccncc3)C2=O)C1 | [O][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N14CCCC2(CCN6C2=O)C1.c17ccncc1.C15CCOC1.O=C45.C67 |
1929476 | O=C(c1ccc[nH]1)N1CCCC2(CCN(c3cncnc3)C2=O)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Ring1][P] | N14CCCC2(CCN6C2=O)C1.c16cncnc1.c15ccc[nH]1.O=C45 |
1929478 | Cn1cc(N2CCC3(CCCN(C(=O)c4ccncc4)C3)C2=O)cn1 | [C][N][C][=C][Branch2][Ring2][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring2][Ring1][C][=O][C][=N][Ring2][Ring1][Branch2] | N17CCC2(CCCN5C2)C1=O.Cn1cc7cn1.c16ccncc1.C56=O |
1929479 | O=C(CCO)N1CCCC2(CCN(Cc3cccnc3)C2=O)C1 | [O][=C][Branch1][Ring2][C][C][O][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][Ring2][Ring1][C] | N14CCCC2(CCN5C2=O)C1.c16cccnc1.O=C4CCO.C56 |
1929481 | Cn1ccc(C(=O)N2CCC3(CC2)CC(N2CCOCC2)CO3)n1 | [C][N][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][=N][=N][Ring2][Ring1][#Branch1] | N14CCC2(CC1)CC5CO2.Cn1ccc6n1.N15CCOCC1.C46=O |
1929482 | Cc1cnc(N2CCCC3(COC(C(=O)NCC4CC4)C3)C2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][#C][N][C][C][C][C][Branch2][Ring1][Ring2][C][O][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][N][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N17CCCC2(COC8C2)C1.Cc1cnc7nc1.C58=O.C19CC1.N56.C69 |
1929483 | Cc1cnc(N2CCC3(CC2)CC(C(=O)NCC2CC2)CO3)nc1 | [C][C][=C][N][=C][Branch2][Ring1][=C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][O][Ring1][=C][N][=C][Ring2][Ring1][#Branch1] | N16CCC2(CC1)CC7CO2.Cc1cnc6nc1.C47=O.C18CC1.N45.C58 |
1929484 | O=C(NCC1CC1)C1COC2(CCN(C(=O)c3ccno3)CC2)C1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][O][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][C][Ring1][=N][C][Ring1][P] | C18COC2(CCN5CC2)C1.c17ccno1.O=C48.C19CC1.C57=O.N46.C69 |
1929485 | O=C(C1CCC2(CCN(c3nncs3)CC2)CO1)N1CCCC1 | [O][=C][Branch2][Ring1][O][C][C][C][C][Branch1][P][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][O][C][O][Ring1][S][N][C][C][C][C][Ring1][Branch1] | C16CCC2(CCN5CC2)CO1.c15nncs1.N14CCCC1.O=C46 |
1929486 | CCN1CCOCC12CCN(C(=O)Cc1cccs1)CC2 | [C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | N14CCOCC12CCN3CC2.c15cccs1.C3(=O)C5.CC4 |
1929487 | COCCN1CCOCC12CCN(C(=O)Cc1cccs1)CC2 | [C][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | N15CCOCC12CCN3CC2.c16cccs1.C3(=O)C6.C4C5.CO4 |
1929488 | O=C(Cc1ccsc1)N1CCC2(CC1)COCCN2CC1CC1 | [O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][C][N][Ring1][Branch2][C][C][C][C][Ring1][Ring1] | N13CCC2(CC1)COCCN24.c16ccsc1.O=C3C6.C15CC1.C45 |
1929489 | COc1cc(N2CCC3(CC2)COCCN3C)ncn1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][C][N][Ring1][Branch2][C][=N][C][=N][Ring2][Ring1][C] | N15CCC2(CC1)COCCN2C.c14cc5ncn1.CO4 |
1929490 | O=C(c1cnccn1)N1CCC2(CC1)COCCN2CC1CC1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][C][N][Ring1][Branch2][C][C][C][C][Ring1][Ring1] | N13CCC2(CC1)COCCN24.c15cnccn1.O=C35.C16CC1.C46 |
1929491 | COc1cc(N2CCC3(CC2)COCCN3S(C)(=O)=O)ncn1 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][C][N][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=N][Ring2][Ring1][Branch1] | N16CCC2(CC1)COCCN25.c14cc6ncn1.S5(C)(=O)=O.CO4 |
1929493 | Fc1cccnc1N1CCCC2(CN(Cc3cccnc3)CCO2)C1 | [F][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][Ring1][=N][C][Ring2][Ring1][C] | N15CCCC2(CN4CCO2)C1.Fc1cccnc15.c16cccnc1.C46 |
1929495 | CCc1cnc(N2CCOC3(CCCN(c4ncccn4)C3)C2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][O][C][Branch2][Ring1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N15CCOC2(CCCN6C2)C1.c17cnc5nc1.c16ncccn1.CC7 |
1929496 | Cc1ccc(CN2CCOC3(CCCN(c4cnccn4)C3)C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][C][O][C][Branch2][Ring1][C][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][P][S][Ring2][Ring1][#Branch1] | N15CCOC2(CCCN6C2)C1.Cc1ccc7s1.c16cnccn1.C57 |
1929497 | c1csc(CN2CCOC3(CCCN(c4cnccn4)C3)C2)c1 | [C][=C][S][C][Branch2][Ring1][=C][C][N][C][C][O][C][Branch2][Ring1][C][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][P][=C][Ring2][Ring1][#Branch1] | N15CCOC2(CCCN6C2)C1.c16cnccn1.c1csc7c1.C57 |
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