ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926353 | O=C(c1ccnnc1)N1CCC2OCCCC2(COCC2CC2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][O][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][Ring1][S] | N13CCC2OCCCC27C1.c16ccnnc1.O=C36.C18CC1.C47.O45.C58 |
1926355 | O=C(C1CC=CCC1)N1CCC2OCCCC2(COCC2CC2)C1 | [O][=C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][C][C][O][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][Ring1][S] | N13CCC2OCCCC27C1.C16CC=CCC1.O=C36.C18CC1.C47.O45.C58 |
1926357 | CC(=O)N1CCC2OCCCC2(COCc2ccccn2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][Ring1][=Branch1][Branch1][N][C][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | N13CCC2OCCCC27C1.c16ccccn1.CC3=O.C47.O45.C56 |
1926358 | CS(=O)(=O)N1CCC2OCCCC2(COCc2ccccn2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][Ring1][=Branch1][Branch1][N][C][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | N15CCC2OCCCC27C1.c16ccccn1.CS5(=O)=O.C37.O34.C46 |
1926359 | CC(C)OCC12CCCOC1CCN(C(=O)c1ccoc1)C2 | [C][C][Branch1][C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][P] | C127CCCOC1CCN3C2.c16ccoc1.CC4C.C36=O.O45.C57 |
1926360 | CC(C)OCC12CCCOC1CCN(C(=O)Cc1ccsc1)C2 | [C][C][Branch1][C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][C] | C126CCCOC1CCN3C2.c17ccsc1.C3(=O)C7.CC4C.O45.C56 |
1926361 | c1csc(CN2CC3CCCOC3C(N3CCOCC3)C2)c1 | [C][=C][S][C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][C][O][C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][=Branch1] | N14CC5C2OCCCC2C1.N15CCOCC1.c1csc6c1.C46 |
1926362 | O=C(c1cscn1)N1CC2CCCOC2C(N2CCOCC2)C1 | [O][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][C][C][O][C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S] | N13CC4C2OCCCC2C1.N14CCOCC1.c15cscn1.O=C35 |
1926363 | O=C(c1ccccc1)N1CC2CCCOC2C(N2CCOCC2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][O][C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S] | N13CC4C2OCCCC2C1.c15ccccc1.N14CCOCC1.O=C35 |
1926364 | O=C(CC1CC1)NC1CN(Cc2nccs2)CC2CCCOC21 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][C][C][O][C][Ring1][=Branch1][Ring1][S] | C15CN4CC2CCCOC12.c16nccs1.O=C3C7.C17CC1.N35.C46 |
1926365 | CS(=O)(=O)N1CC2CCCOC2C(NC(=O)c2cnccn2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][O][C][Ring1][=Branch1][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | N14CC5C2OCCCC2C1.c16cnccn1.CS4(=O)=O.C36=O.N35 |
1926366 | CN(Cc1cncnc1)C1CN(c2ncccn2)CC2CCCOC21 | [C][N][Branch1][#Branch2][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][O][C][Ring1][=Branch1][Ring1][S] | C15CN4CC2CCCOC12.c16cncnc1.c14ncccn1.CN35.C36 |
1926367 | Cc1noc(C2COCC3CN(C(=O)Cc4cccc(F)c4)CC32)n1 | [C][C][=N][O][C][Branch2][Ring1][P][C][C][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | C17COCC2CN5CC12.c16cccc(F)c1.Cc1noc7n1.C5(=O)C6 |
1926368 | Cc1noc(C2COCC3CN(C(=O)Cc4ccc(F)cc4)CC32)n1 | [C][C][=N][O][C][Branch2][Ring1][P][C][C][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | C17COCC2CN5CC12.c16ccc(F)cc1.Cc1noc7n1.C5(=O)C6 |
1926369 | Cc1noc(C2COCC3CN(C(=O)Cc4ccccc4F)CC32)n1 | [C][C][=N][O][C][Branch2][Ring1][#C][C][C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | C17COCC2CN5CC12.c16ccccc1F.Cc1noc7n1.C5(=O)C6 |
1926370 | CNC(=O)C1CCC2C(CCN2Cc2cnn(C)c2)O1 | [C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][Ring1][S] | C15CCC2C(CCN24)O1.c16cnn(C)c1.C35=O.CN3.C46 |
1926371 | Cc1nnc(C2CCC3C(CCN3S(=O)(=O)C3CC3)O2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=N][C][C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][O][Ring1][#C][O][Ring2][Ring1][Ring2] | C15CCC2C(CCN24)O1.Cc1nnc5o1.S4(=O)(=O)C1CC1 |
1926372 | Cc1ccc(N2CC(OCc3csc(C)n3)C3OCCCC32)nn1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][Branch1][=N][O][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P][N][=N][Ring2][Ring1][#Branch1] | N16CC5C2OCCCC21.Cc1ccc6nn1.c17csc(C)n1.O45.C47 |
1926373 | Cc1ccc(N2CCC3CC(C(=O)NC4CC4)OC3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][O][C][Ring1][O][C][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | N16CCC2CC8OC2C1.Cc1ccc6nn1.C58=O.C17CC1.N57 |
1926374 | CS(=O)(=O)N1CCC2CC(C(=O)NCc3ccccn3)OC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][Ring1][#C][C][Ring2][Ring1][Ring1] | N16CCC2CC7OC2C1.c18ccccn1.CS6(=O)=O.C47=O.N45.C58 |
1926375 | COCCNC(=O)C1CCC2C(CCN2Cc2cnn(C)c2)O1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][Ring1][S] | C17CCC2C(CCN26)O1.c18cnn(C)c1.C4C5.C37=O.CO4.N35.C68 |
1926376 | COCCNC(=O)C1CN(c2nnc(C)s2)CC2OCCC21 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][O][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][O][C][C][C][Ring1][Branch1][Ring1][#C] | C17CN6CC2OCCC12.c16nnc(C)s1.C4C5.C37=O.CO4.N35 |
1926377 | COCCNC(=O)C1CC2OCCC2N(Cc2ccoc2)C1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][#C] | C17CC2OCCC2N6C1.c18ccoc1.C4C5.C37=O.CO4.N35.C68 |
1926378 | Cc1noc(C2CC3OCCC3N(Cc3nccs3)C2)n1 | [C][C][=N][O][C][Branch2][Ring1][Branch2][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | C16CC2OCCC2N4C1.Cc1noc6n1.c15nccs1.C45 |
1926379 | Cc1cc(CN2CC(C(=O)NCc3ccco3)CC3OCCC32)no1 | [C][C][=C][C][Branch2][Ring1][#C][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][O][C][C][C][Ring1][Branch1][Ring2][Ring1][C][=N][O][Ring2][Ring1][Branch2] | N15CC7CC2OCCC21.Cc1cc8no1.c19ccco1.C47=O.C58.N46.C69 |
1926380 | O=C(Nc1cnccn1)C1CC2OCCC2N(Cc2ccncc2)C1 | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][S] | C16CC2OCCC2N4C1.c15cnccn1.c17ccncc1.O=C36.N35.C47 |
1926381 | Cc1cccc(CN2CC(c3nnc(C)o3)CC3OCCC32)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][C][Branch1][O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][C][O][C][C][C][Ring1][Branch1][Ring1][#C][=N][Ring2][Ring1][=Branch1] | N14CC6CC2OCCC21.Cc1cccc5n1.c16nnc(C)o1.C45 |
1926382 | CCOC1CCC2C1OCCN2C(=O)c1ccc2ccccc2c1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | C15CCC2C1OCCN23.c16ccc2ccccc2c1.C36=O.CC4.O45 |
1926383 | CCOC1CCC2C1OCCN2S(=O)(=O)c1c(C)nn(C)c1C | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | S5(=O)(=O)c1c(C)nn(C)c1C.C14CCC2C1OCCN25.CC3.O34 |
1926384 | C=CCOC1CCC2C1OCCN2Cc1cnn(C)c1 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C14CCC2C1OCCN25.c16cnn(C)c1.C=CC3.O34.C56 |
1926386 | C=CCOC1CCC2C1OCCN2C(=O)CC1=CCCCC1 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1] | C15CCC2C1OCCN23.C3(=O)CC1=CCCCC1.C=CC4.O45 |
1926387 | C=CCOC1CCC2C1OCCN2C(=O)CCOc1ccccc1 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CCC2C1OCCN23.c17ccccc1.C3(=O)CC5.C=CC4.O46.O57 |
1926388 | C=CCOC1CCC2C1OCCN2C(=O)c1sccc1OCC | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][O][C][C] | C16CCC2C1OCCN23.c18sccc17.C=CC4.C38=O.O46.O57.C5C |
1926389 | O=C(c1ccnnc1)N1CCOC2C(OCc3cccnc3)CCC21 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C6CCC21.c17ccnnc1.c18cccnc1.O=C47.O56.C58 |
1926390 | COc1ccc(CN2CCOC3C(OC)CCC32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][C][Branch1][Ring1][O][C][C][C][C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N16CCOC2C4CCC21.c15ccc7cc1.CO5.C67.O4C |
1926391 | COC1CCC2C1OCCN2C(=O)c1cccn1C | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C] | C14CCC2C1OCCN23.c15cccn1C.C35=O.CO4 |
1926392 | COC1CCC2C1OCCN2Cc1cccc(F)c1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C13CCC2C1OCCN24.c15cccc(F)c1.CO3.C45 |
1926393 | COC1CCC2C1OCCN2Cc1ccccc1C | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | C13CCC2C1OCCN24.c15ccccc1C.CO3.C45 |
1926394 | COc1cc(CN2CCOC3C(OC)CCC32)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][N][C][C][O][C][C][Branch1][Ring1][O][C][C][C][C][Ring1][#Branch1][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | N17CCOC2C4CCC21.c15cc6cc8c1.CO5.C78.O4C.O6C |
1926395 | COC1CCC2C1OCCN2S(=O)(=O)c1c(C)nn(C)c1C | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | S4(=O)(=O)c1c(C)nn(C)c1C.C13CCC2C1OCCN24.CO3 |
1926396 | CCOC1CCC2C1OCCN2Cc1ccc(OC)cc1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C14CCC2C1OCCN26.c17ccc5cc1.CC3.O34.C67.O5C |
1926397 | CCOC1CCC2C1OCCN2Cc1cccc(OC)c1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | C14CCC2C1OCCN26.c17cccc5c1.CC3.O34.C67.O5C |
1926398 | CCOC1CCC2C1OCCN2Cc1scnc1C | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][S][C][=N][C][=Ring1][Branch1][C] | C14CCC2C1OCCN25.c16scnc1C.CC3.O34.C56 |
1926399 | CCOC1CCC2C1OCCN2C(=O)CC1=CCCCC1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1] | C15CCC2C1OCCN23.C3(=O)CC1=CCCCC1.CC4.O45 |
1926400 | Cc1ncsc1CN1CCOC2C(OCC(C)C)CCC21 | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][C][O][C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][C][C][Ring1][#Branch2][Ring1][=C] | N15CCOC2C4CCC21.Cc1ncsc16.C3C(C)C.C56.O34 |
1926401 | CC(C)COC1CCC2C1OCCN2S(=O)(=O)C1CC1 | [C][C][Branch1][C][C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | C14CCC2C1OCCN25.S5(=O)(=O)C1CC1.CC(C)C3.O34 |
1926402 | C=CCOC1CCC2C1OCCN2C(=O)c1cccn1C | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C] | C15CCC2C1OCCN23.c16cccn1C.C=CC4.C36=O.O45 |
1926403 | CN(C)C(=O)COC1CCC2C1OCCN2Cc1cnn(C)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C15CCC2C1OCCN26.c17cnn(C)c1.C3(=O)C4.CN3C.O45.C67 |
1926404 | CN(C)C(=O)COC1CCC2C1OCCN2Cc1ccccc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCC2C1OCCN26.c17ccccc1.C3(=O)C4.CN3C.O45.C67 |
1926406 | CN(C)C(=O)COC1CCC2C1OCCN2Cc1cccc(F)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C15CCC2C1OCCN26.c17cccc(F)c1.C3(=O)C4.CN3C.O45.C67 |
1926407 | Cc1ccccc1CN1CCOC2C(OCC(=O)N(C)C)CCC21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][N][Ring1][S] | N16CCOC2C5CCC21.Cc1ccccc17.C4C3=O.N3(C)C.C67.O45 |
1926409 | Cc1ncsc1CN1CCOC2C(OCC(=O)N(C)C)CCC21 | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][C][O][C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][N][Ring1][S] | N16CCOC2C5CCC21.Cc1ncsc17.C4C3=O.N3(C)C.C67.O45 |
1926411 | Cn1cnc(S(=O)(=O)N2CCOC3C(OCC4CC4)CCC32)c1 | [C][N][C][=N][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][#Branch2][Ring1][=C][=C][Ring2][Ring1][=Branch1] | N17CCOC2C6CCC21.Cn1cnc(S7(=O)=O)c1.C18CC1.O56.C58 |
1926412 | c1cncc(CN2CCOC3C(OCC4CCCC4)CCC32)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][N][Ring1][S][=C][Ring2][Ring1][#Branch1] | N17CCOC2C6CCC21.c1cncc9c1.C18CCCC1.C79.O56.C58 |
1926413 | c1ccc(CN2CCOC3C(OCC4CCOCC4)CCC32)cc1 | [C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] | N17CCOC2C6CCC21.c1ccc9cc1.C18CCOCC1.C79.O56.C58 |
1926414 | Cc1ccc(CN2CCOC3C(OCC4CCOCC4)CCC32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] | N17CCOC2C6CCC21.Cc1ccc9cc1.C18CCOCC1.C79.O56.C58 |
1926416 | c1ccc(CN2CCOC3C(OCC4CCOCC4)CCC32)nc1 | [C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][N][=C][Ring2][Ring1][Branch2] | N17CCOC2C6CCC21.c1ccc8nc1.C19CCOCC1.C78.O56.C59 |
1926417 | Cc1cccc(CN2CCOC3C(OCC4CCOCC4)CCC32)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][=N][Ring2][Ring1][Branch2] | N17CCOC2C6CCC21.Cc1cccc8n1.C19CCOCC1.C78.O56.C59 |
1926418 | C1CC(N2CCOC3C(OCC4CCOCC4)CCC32)C1 | [C][C][C][Branch2][Ring1][#Branch2][N][C][C][O][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][C][Ring2][Ring1][Branch1] | N17CCOC2C6CCC21.C18CCOCC1.C1CC7C1.O56.C58 |
1926420 | Cn1cc(CN2CCOC3C(Oc4cccnc4)CCC32)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S][C][=N][Ring2][Ring1][=Branch1] | N17CCOC2C5CCC21.Cn1cc8cn1.c16cccnc1.C78.O56 |
1926421 | c1cncc(CN2CCOC3C(Oc4cccnc4)CCC32)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S][=C][Ring2][Ring1][#Branch1] | N17CCOC2C5CCC21.c1cncc8c1.c16cccnc1.C78.O56 |
1926422 | c1ccc(CCN2CCOC3C(OCc4cccnc4)CCC32)cc1 | [C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][=Branch2] | N17CCOC2C6CCC21.c1ccc8cc1.c19cccnc1.C8C7.O56.C59 |
1926423 | Cc1cc(CN2CCOC3C(OCc4cccnc4)CCC32)no1 | [C][C][=C][C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][=N][O][Ring2][Ring1][#Branch1] | N17CCOC2C6CCC21.Cc1cc8no1.c19cccnc1.C78.O56.C59 |
1926424 | Cc1cccc(COC2CCC3C2OCCN3Cc2cc(C)on2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | C15CCC2C1OCCN26.Cc1cccc7n1.c18cc(C)on1.C47.O45.C68 |
1926426 | Cc1cc(CN2CCOC3C(OCc4ccccn4)CCC32)no1 | [C][C][=C][C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][=N][O][Ring2][Ring1][#Branch1] | N17CCOC2C6CCC21.Cc1cc8no1.c19ccccn1.C78.O56.C59 |
1926427 | O=C(c1ccoc1)N1CCOC2C(OCCCn3cccn3)CCC21 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][O][C][C][Branch1][N][O][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][C][Ring1][=C][Ring2][Ring1][C] | N14CCOC2C6CCC21.c17ccoc1.n18cccn1.C5CC8.O=C47.O56 |
1926428 | O=C(N1CCCC1)N1CCOC2C(Oc3ccccn3)CCC21 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S] | N15CCOC2C7CCC21.c16ccccn1.N14CCCC1.O=C45.O67 |
1926429 | Fc1cccnc1OC1CCC2C1OCCN2Cc1nccs1 | [F][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=N][C][=C][S][Ring1][Branch1] | C14CCC2C1OCCN25.Fc1cccnc13.c16nccs1.O34.C56 |
1926430 | O=C(CC1CC1)N1CCOC2C(Oc3ncccc3F)CCC21 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Branch1][O][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C6CCC21.c15ncccc1F.O=C4C7.C17CC1.O56 |
1926431 | COC1CCC2C1OCCN2Cc1ccc(F)cc1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C13CCC2C1OCCN24.c15ccc(F)cc1.CO3.C45 |
1926432 | COC1CCC2C1OCCN2C(=O)c1ccc2ccccc2c1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | C14CCC2C1OCCN23.c15ccc2ccccc2c1.C35=O.CO4 |
1926433 | COC1CCC2C1OCCN2Cc1ccccc1F | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C13CCC2C1OCCN24.c15ccccc1F.CO3.C45 |
1926434 | COC1CCC2C1OCCN2Cc1ccc(F)c(F)c1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | C13CCC2C1OCCN24.c15ccc(F)c(F)c1.CO3.C45 |
1926435 | COC1CCC2C1OCCN2C(=O)CCOc1ccccc1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CCC2C1OCCN23.c16ccccc1.C3(=O)CC4.CO5.O46 |
1926436 | C=CCOC1CCC2C1OCCN2C(=O)c1cc(C)oc1C | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C] | C15CCC2C1OCCN23.c16cc(C)oc1C.C=CC4.C36=O.O45 |
1926437 | O=C(C1CC=CC1)N1CCOC2C(Oc3cccnc3)CCC21 | [O][=C][Branch1][Branch2][C][C][C][=C][C][Ring1][Branch1][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S] | N14CCOC2C5CCC21.c16cccnc1.C17CC=CC1.O=C47.O56 |
1926438 | Cn1cc(CN2CCOC3C(OCc4ccncc4)CCC32)cn1 | [C][N][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][C][=N][Ring2][Ring1][#Branch1] | N17CCOC2C6CCC21.Cn1cc8cn1.c19ccncc1.C78.O56.C59 |
1926439 | O=C(c1ccncc1)N1CCOC2C(OCc3ccncc3)CCC21 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C6CCC21.c17ccncc1.c18ccncc1.O=C47.O56.C58 |
1926440 | O=S(=O)(C1CC1)N1CCOC2C(Oc3ccccn3)CCC21 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S] | N16CCOC2C5CCC21.O=S6(=O)C1CC1.c14ccccn1.O45 |
1926441 | O=S(=O)(C1CC1)N1CCOC2C(Oc3ncccc3F)CCC21 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Branch1][O][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring1][=N][Ring1][P] | N16CCOC2C5CCC21.c14ncccc1F.O=S6(=O)C1CC1.O45 |
1926444 | CCOC1CN(S(=O)(=O)c2cccnc2)C2CCCOC12 | [C][C][O][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][O][C][Ring2][Ring1][C][Ring1][=Branch1] | C14CN5C2CCCOC12.S5(=O)(=O)c1cccnc1.CC3.O34 |
1926446 | C=CCOC1CN(S(=O)(=O)c2cccnc2)C2CCCOC12 | [C][=C][C][O][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][O][C][Ring2][Ring1][C][Ring1][=Branch1] | C14CN5C2CCCOC12.S5(=O)(=O)c1cccnc1.C=CC3.O34 |
1926447 | Cc1ccoc1C(=O)N1CC(OCC2CC2)C2OCCCC21 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][=C] | N13CC5C2OCCCC21.Cc1ccoc16.C36=O.C17CC1.O45.C47 |
1926448 | O=C(c1ccnnc1)N1CC(OCC2CCOCC2)C2OCCCC21 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P] | N13CC5C2OCCCC21.c16ccnnc1.C17CCOCC1.O=C36.O45.C47 |
1926449 | Cc1cc(CN2CC(OCC3CCOCC3)C3OCCCC32)no1 | [C][C][=C][C][Branch2][Ring1][O][C][N][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P][=N][O][Ring2][Ring1][#Branch1] | N16CC5C2OCCCC21.Cc1cc7no1.C18CCOCC1.C67.O45.C48 |
1926451 | c1cncc(OC2CN(Cc3ccco3)C3CCCOC23)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch2][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][O][C][Ring1][#C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | C14CN6C2CCCOC12.c1cncc5c1.c17ccco1.O45.C67 |
1926452 | Cc1ccc(CN2CC(Oc3cccnc3)C3OCCCC32)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S][O][Ring2][Ring1][=Branch1] | N16CC4C2OCCCC21.Cc1ccc7o1.c15cccnc1.C67.O45 |
1926453 | O=C(Cc1ccccn1)N1CC(Oc2cccnc2)C2OCCCC21 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S] | N13CC4C2OCCCC21.c16ccccn1.c15cccnc1.O=C3C6.O45 |
1926454 | Cc1cc(C(=O)N2CC(Oc3cccnc3)C3OCCCC32)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S][=N][O][Ring2][Ring1][#Branch1] | N14CC5C2OCCCC21.Cc1cc7no1.c16cccnc1.C47=O.O56 |
1926455 | Cc1noc(C)c1CN1CC(OCc2cccnc2)C2OCCCC21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P] | N15CC4C2OCCCC21.Cc1noc(C)c16.c17cccnc1.C56.O34.C37 |
1926457 | Cc1oncc1C(=O)N1CC(OCc2ccncc2)C2OCCCC21 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P] | N13CC5C2OCCCC21.Cc1oncc16.c17ccncc1.C36=O.O45.C47 |
1926458 | Cc1nc(CN2CC(OCc3ccccn3)C3OCCCC32)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P][=C][S][Ring2][Ring1][#Branch1] | N16CC5C2OCCCC21.Cc1nc7cs1.c18ccccn1.C67.O45.C48 |
1926459 | O=C(c1ccsc1)N1CC(OCc2ccccn2)C2OCCCC21 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P] | N13CC5C2OCCCC21.c17ccccn1.c16ccsc1.O=C36.O45.C47 |
1926460 | Cn1cccc1C(=O)N1CC(OCc2ccccn2)C2OCCCC21 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][P] | N13CC5C2OCCCC21.Cn1cccc16.c17ccccn1.C36=O.O45.C47 |
1926461 | Cc1cnc(C(=O)N2CC(Oc3ccccn3)C3OCCCC32)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S][C][=N][Ring2][Ring1][Branch2] | N14CC6C2OCCCC21.Cc1cnc7cn1.c15ccccn1.C47=O.O56 |
1926462 | O=C(c1cnccn1)N1CC(Oc2ccccn2)C2OCCCC21 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S] | N13CC5C2OCCCC21.c16cnccn1.c14ccccn1.O=C36.O45 |
1926463 | Cc1ccsc1C(=O)N1CC(Oc2ccccn2)C2OCCCC21 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S] | N13CC5C2OCCCC21.Cc1ccsc16.c14ccccn1.C36=O.O45 |
1926464 | O=C(Cc1ccsc1)N1CC(Oc2ccccn2)C2OCCCC21 | [O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1][Ring1][S] | N13CC5C2OCCCC21.c14ccccn1.c16ccsc1.O=C3C6.O45 |
1926465 | Cc1ncsc1CN1CCC2CC(C(=O)NCC3CC3)OC2C1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][O][C][Ring1][N][C][Ring1][S] | N15CCC2CC7OC2C1.Cc1ncsc18.C47=O.C19CC1.C58.N46.C69 |
1926466 | Cc1nnc(N2CCC3CC(C(=O)N(C)C)OC3C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][O][C][Ring1][#Branch2][C][Ring1][=C][S][Ring2][Ring1][Ring1] | N15CCC2CC6OC2C1.Cc1nnc5s1.C46=O.N4(C)C |
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