Table 1.

Molecules sampled during training

Iteration	Generated example	Valid
0	LCtACFS5AF@t-rl(= sL#)	False
100	CN1C(=O)CCCNc2cccnc2N2CCN(C)3=O	False
500	CO1)C(= O)NC2CCN(CCN3[C@@H](C(=O)CCC4)c3c1CSC(= O)= C)C(= O)O	False
1000	CCCC=C(c1ccc(OCCCC(C)(C)C(=O)O)c(Sc2ccccc2)c1)C(=O)O	True
10,000	CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3ccccc3)C(= O)N	True
100,000	COc1ccccc1NC(= S)NC2CC(C)(C)Oc3ccc(F)cc23	True