SMILES,Predicted_activity,Probability
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(OC(N)=O)C2SC1,1,0.5315529108047485
CC1CCC(=O)NC2C(=O)C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.8901554942131042
CC1C(CO)OC(C)(C)C2SCC(CSc3nnnn3C)=C(C(=O)O)C(=O)N12,1,0.9339867830276489
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OOC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9166659116744995
CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9478779435157776
CN(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9331246018409729
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCN4)c3c2)CC1,1,0.9709779620170593
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9478779435157776
CC(=O)OC1C(=O)N2C(C(=O)O)=C(COc3nnnn3C)CSC12,1,0.9110217094421387
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
CCCCCCCCCCCCCCCC[N+](C)(C)CC1CC1C,0,0.9556289911270142
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
O=C(O)c1cn(C2CC2)c2cc(C3CCC(O)C3)ccc2c1=O,0,0.7964357733726501
COC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.898070216178894
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2)CC1,1,0.7320073843002319
CC1=C(N)C(=O)C(S(C)(=O)=O)=C1,0,0.9977689981460571
CCC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.889667272567749
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CCC2C(N)CNC1CC(CO)C2C,0,0.9978637099266052
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CC(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.7483000159263611
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9296661019325256
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
CCOC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9265080690383911
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OOC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9166659116744995
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CCOC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9265080690383911
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CNCCCCCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9647257924079895
CCOC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8563404083251953
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CCCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9308534264564514
NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9296661019325256
CC(C)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9586541056632996
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC1CCC(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.7795932292938232
NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9478779435157776
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9147716760635376
NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
COC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9016570448875427
CC1CC(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.6775283813476562
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
Cn1ncnc1SCC1=C(C(=O)O)N2C(=O)C(NS(C)(=O)=O)C2SC1,0,0.9498425126075745
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9296661019325256
CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9213360548019409
CC(=O)OC1C(=O)n2c1nc(N1CCNCC1)c2C(=O)O,0,0.9893285632133484
CN(C)C1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8795042634010315
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CN(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9331246018409729
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CNC1,1,0.9109234809875488
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CCN1,1,0.8833326101303101
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CNC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9392977356910706
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CCCCCCCCCCCCCCCC[N+](C)(C)OC(Br)CC1CC1O,0,0.9697214365005493
NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9213360548019409
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CCOC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9265080690383911
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C)c3c2)CC1,1,0.7803784608840942
CC1CC(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.7483000159263611
CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
CC(=O)OOC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9166659116744995
CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061