p1
stringlengths 12
119
| p2
stringlengths 12
119
| Scaffold
stringlengths 2
69
| similarity
float64 0.5
1
|
|---|---|---|---|
COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1 | No | 0.79085 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1 | No | 0.861186 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1 | No | 0.810945 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1 | No | 0.871099 |
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)C(C(=O)NO)C2)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1 | No | 0.807181 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccno3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.856442 |
CCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1 | No | 0.884722 |
COc1ccc(S(=O)(=O)N2CCN(C(N)=O)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.828982 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.816561 |
CCCN(CC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.816456 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.900126 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3snnc3C)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.83274 |
CCCCCCN1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C(=O)NO)C1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2C(=O)NO)cc1 | No | 0.816138 |
COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2C(=O)NO)cc1 | COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2C(=O)NO)cc1 | No | 0.874317 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.626072 |
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 1 |
COc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.68125 |
Cc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.623037 |
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.732448 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)C1=O | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.935484 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C1=O | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.601423 |
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.765531 |
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.774848 |
O=C1CCCC/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.67004 |
Cc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.676289 |
O=C1CCCC/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.690678 |
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.922705 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)C1=O | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.733205 |
COc1ccc(C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.787086 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.776451 |
O=C(CCc1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.649819 |
O=C1CCCC/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.617438 |
Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.987976 |
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.774848 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.781411 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C1=O | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.798932 |
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 1 |
COc1ccc(C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.792254 |
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.740883 |
O=C1CCCC/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 | O=C(CCc1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.670659 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)C1=O | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | No | 0.946257 |
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | O=C(CCc1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.721649 |
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.987976 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C1=O | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | No | 0.793651 |
COc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.68125 |
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.774848 |
O=C1CCCC/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.67004 |
COc1ccc(C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.596831 |
Cc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.676289 |
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.759295 |
COc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.665331 |
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.922705 |
NCC(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | CCC(C)C(N)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | No | 0.857651 |
Clc1ccc2c(NCc3ccco3)ccnc2c1 | OCCNc1ccnc2cc(Cl)ccc12 | No | 0.728682 |
CC(N)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | OCCNc1ccnc2cc(Cl)ccc12 | No | 0.754753 |
O=[N+]([O-])c1ccc(OCCNc2ccnc3cc(Cl)ccc23)cc1 | OCCNc1ccnc2cc(Cl)ccc12 | No | 0.793834 |
Clc1ccc2c(NCCN3CCN(c4ccccn4)CC3)ccnc2c1 | CCC(C)C(N)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | No | 0.716279 |
CC(C)(C)OC(=O)NCC(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | CCC(C)C(N)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | No | 0.798701 |
O=C(C1CCNC1)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | CCC(C)C(N)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 | No | 0.83908 |
O=C1CCCC/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.6841 |
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.940887 |
O=C(/C=C/c1ccc(F)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.907363 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)C1=O | Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.726755 |
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.940887 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccccc3)cc2)C1=O | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.759295 |
O=C(CCc1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.719335 |
Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCC(CN(C)C)C3=O)cc2)cc1 | O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.750484 |
O=C1CCCC/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.690678 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)C1=O | COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.733205 |
CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O | COc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | No | 0.761384 |
COc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | O=C(CCc1ccccc1)Oc1ccc(/C=C2\CCCCC2=O)cc1 | No | 0.665354 |
Cc1ccc(C(=O)Oc2ccc(/C=C3\CCCCC3=O)cc2)cc1 | CN(C)CC1CCC/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C1=O | No | 0.797348 |
COc1cc(OCCCc2c[nH]cn2)ccc1/C(C)=N/O | CC(C)(C)C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)cc1 | No | 0.674419 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3C(F)(F)F)cn1 | Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.865796 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.924188 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.906748 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccc(C(F)(F)F)cc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.872749 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c(Br)cccc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.967172 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3Cl)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.84192 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.895054 |
COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.849315 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.808343 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.907846 |
Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.90303 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)c(Cl)cc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.862028 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.799562 |
COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC | COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC | No | 0.921016 |
COc1cc2ncc(C#N)c(Nc3ccc(Br)cc3F)c2cc1OC | COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC | No | 0.881081 |
COc1cc2ncc(C#N)c(Nc3cccc(N(C)C)c3)c2cc1OC | COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC | No | 0.903047 |
COc1cc2ncc(C#N)c(Nc3ccc(F)c(C(F)(F)F)c3)c2cc1OC | COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC | No | 0.868526 |
COc1cc2ncc(C#N)c(Nc3ccc(F)cc3)c2cc1OC | COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC | No | 0.944767 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(F)ccc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.884804 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.865143 |
Cc1cc2c(cc1F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.840961 |
CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc32)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.883886 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C(F)(F)F)ccc32)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.869718 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.840629 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nn1)CC2 | CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 | No | 0.833703 |
COc1cc2ncc(CO)c(Nc3cccc(Br)c3)c2cc1OC | COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1OC | No | 0.853389 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cccc3C(F)(F)F)cn1 | Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 | No | 0.864706 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.