Table 6.

Table for comparing multiple property conditions for 1000 generated molecules using example token sequences

Token Sequence SMILES	SM[%]	Uniqueness at 1k [%]	LogP {-2, 0, 2} MAD	SAScore {2, 3, 4} MAD	Molecular Weight {2, 3, 4} MAD
C1=CSC=C1 (Thiophene)	42.32	91.72	0.45	0.15
	37.05	94.88	0.45		0.13
	40.16	98.98		0.15	0.13
	24.02	87.73	0.49	0.18	0.15
CC=O (Acetaldehyde)	92.79	94.19	0.18	0.15
	96.88	99.20	0.18		0.07
	91.68	98.40		0.14	0.08
	94.65	91.83	0.18	0.14	0.08
CC(=O)NC1=CC=C(C=C1)O (Paracetamol)	71.41	90.61	0.37	0.18
	75.95	74.00	0.37		0.10
	82.05	81.17		0.35	0.11
	70.20	83.98	0.38	0.29	0.13
CN1C=NC2=C1C(=O)N(C(=O)N2C)C (Caffeine)	89.91	72.48	0.52	0.25
	60.13	57.36	0.47		0.20
	70.48	49.36		0.35	0.23
	62.70	60.21	0.54	0.37	0.17