Datasets:

liuganghuggingface
/

moldata-openpoly

Name stringlengths 2 134	PSMILES stringlengths 4 170	Bandgap (eV) stringclasses 105 values	CO2 Permeability (Barrer) stringclasses 58 values	Compressive Strength (MPa) stringclasses 104 values	Crystallization Temperature (K) stringclasses 107 values	Elongation at Break (%) stringclasses 142 values	Flexural Strength (MPa) stringclasses 97 values	Tg (K) stringlengths 0 11	H2 Permeability (Barrer) stringclasses 55 values	Hardness (MPa) stringclasses 82 values	Impact Strength (kJ/m2) stringclasses 86 values	Ion Exchange Capacity (meq/g) stringclasses 69 values	Limiting Oxygen Index (%) stringclasses 84 values	Lower Critical Solution Temperature (K) stringclasses 83 values	Tm (K) stringlengths 0 11	Methanol Permeability (cm2/s) stringclasses 29 values	O2 Permeability (Barrer) stringclasses 58 values	Refractive Index stringclasses 133 values	Swelling Degree (%) stringclasses 81 values	Thermal Conductivity (W/m K) stringclasses 122 values	Tensile Strength (MPa) stringlengths 0 11	Td (K) stringlengths 0 11	Upper Critical Solution Temperature (K) stringclasses 48 values	Water Contact Angle (deg) stringlengths 0 11	Water Uptake (%) stringclasses 118 values	Young's Modulus (MPa) stringlengths 0 11	PSMILES_2 stringlengths 6 220	PSMILES_4 stringlengths 10 438	SMILES_original stringlengths 4 170	SMILES_canonical stringlengths 4 170	structure_key stringlengths 8 174	structure_status stringclasses 1 value	wildcard_atom_count stringclasses 1 value	source_dataset stringclasses 1 value	source_table stringclasses 1 value	source_row_first int64 1 741	observation_count int64 1 1
PLLA	CC(C([])=O)O[]			13.71604167	397.494055	31.68030488	109.0714286	332.3065643	0.385	171.6666667	12.79176471		22.16666667	305.9	442.4739919			1.466666667	48.2	0.294153846	44.46366337	559.4827586	513.15	77.93368687	18.84666667	1667.104159	OC(C)C(=O)OC(C)C()=O	OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C()=O	CC(C([])=O)O[]	OC(C)C()=O	["OC(C)C()=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	7	1
PS	[]C(C[])C1=CC=CC=C1	3.559047619	52.285	423.1727273	406.5722222	28.4137037	61.89428571	370.8178093		166.4266667	4.51125	1.255	20.07826087	359.5785714	419.6389583		52.285	1.568991296	126.7333333	0.265563043	26.48273282	657.1369916	371.4833333	86.32727483	45.28285714	1578.346265	CC(CC()c1ccccc1)c1ccccc1	CC(CC(CC(CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	[]C(C[])C1=CC=CC=C1	CC()c1ccccc1	["CC()c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	9	1
PET	[]C1=CC=C(C(OCCOC([])=O)=O)C=C1	3.354090909		55.94545455	458.108254	101.9562745	60.1125	350.7739286	0.24725	202.5238095	6.945555556		25.07375	305.15	523.4178857			1.5816	32.4	0.199117647	61.5532243	647.7791837		67.79664506	29.25933333	2711.531016	C(=O)OCCOC(=O)c1ccc(C(=O)OCCOC(=O)c2ccc()cc2)cc1	C(=O)OCCOC(=O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c3ccc(C(=O)OCCOC(=O)c4ccc()cc4)cc3)cc2)cc1	[]C1=CC=C(C(OCCOC([])=O)=O)C=C1	C(=O)OCCOC(=O)c1ccc()cc1	["C(=O)OCCOC(=O)c1ccc()cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	10	1
PEO	[]CCO[]	4.328095238	142.0432432	9.431428571	390.65	141.3910345		227.0281712	90.5125	322	18.3	1.62	14.86666667	369.1387097	335.1621175		142.0432432	1.489032143	189.6666667	4.98	5.376923077	584.3322785	409.95	49.73195652	76.372	169.8333158	CCOCCO	CCOCCOCCOCCO	[]CCO[]	CCO	["CCO"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	11	1
PVC	[]CC(Cl)[]	4.029038462	0.926666667	25.055	442.4833333	217.5994667	62.37888889	348.831328		47.6	8.218214286	1.29	28.11842105	306.15	422.4248	1.00E-06	0.926666667	1.561942857	56.9	0.20344	24.71402609	554.9093976		83.37372973	5.721666667	612.8673684	CC(Cl)CC()Cl	CC(Cl)CC(Cl)CC(Cl)CC()Cl	[]CC(Cl)[]	CC()Cl	["CC()Cl"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	18	1
PI	[]CC([])(C=C)C	2.594166667	61.68571429	14.96233333	405.15	15.28428814	122.8642857	536.734867	634.76	891.1666667	276.825	1.67375	40.51111111	319.6166667	518.312963	1.00E-07	61.68571429	1.680940741	14.66666667	0.684844681	111.6567857	779.3637594		76.18708791	1.2525		CC(C)(C=C)CC()(C)C=C	CC(C)(C=C)CC(C)(C=C)CC(C)(C=C)CC()(C)C=C	[]CC([])(C=C)C	CC()(C)C=C	["CC()(C)C=C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	20	1
PAN	[]CC([])C#N	2.795	58.5	1283.16	540.85	25.15680851	402	370.3696914	70.33333333	90.43008267	1.036666667	1.86	21.01304348		572.2063768	7.00E-07	58.5	1.508284615	35.7	4.713857143	106.1541732	576.34125		61.81981395	56.715	6110.394533	CC(C#N)CC()C#N	CC(C#N)CC(C#N)CC(C#N)CC()C#N	[]CC([])C#N	CC()C#N	["CC()C#N"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	24	1
PEN	O=C(O[])C1=CC(C=CC(C(OCC[])=O)=C2)=C2C=C1	3.33	0.12		491.7911765	8.665384615	154.1666667	398.0491935		523.3333333	127.3333333				541.7983871		0.12	1.8285		0.531	91.35830189	757.3852941		54.92		4417.921429	CCOC(=O)c1ccc2cc(C(=O)OCCOC(=O)c3ccc4cc(C(=O)O)ccc4c3)ccc2c1	CCOC(=O)c1ccc2cc(C(=O)OCCOC(=O)c3ccc4cc(C(=O)OCCOC(=O)c5ccc6cc(C(=O)OCCOC(=O)c7ccc8cc(C(=O)O)ccc8c7)ccc6c5)ccc4c3)ccc2c1	O=C(O[])C1=CC(C=CC(C(OCC[])=O)=C2)=C2C=C1	CCOC(=O)c1ccc2cc(C(=O)O)ccc2c1	["CCOC(=O)c1ccc2cc(C(=O)O)ccc2c1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	43	1
PPO	[]C1=CC(C)=C(O[])C(C)=C1		53.8575		638.15	11.55	76.43333333	439.4435816	113.2385714		6.7	1.856	28.32222222	295.575	476.4511111	8.32E-08	53.8575	1.56	22.65		39.56916667	666.765	398.15	65.97545455	33.37916667	1192.275	Oc1c(C)cc(Oc2c(C)cc()cc2C)cc1C	Oc1c(C)cc(Oc2c(C)cc(Oc3c(C)cc(Oc4c(C)cc()cc4C)cc3C)cc2C)cc1C	[]C1=CC(C)=C(O[])C(C)=C1	Oc1c(C)cc()cc1C	["Oc1c(C)cc()cc1C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	44	1
PPy	[]C1=CC=C([])N1	2.438885647		0.911624444		38.1075	79.9	388.0586486	125	1265.12		1.975	20	315.65	432.2476923			1.574777778	350	0.2789875	33.13209302	590.2752381		76.7054717	48.54	423.2231579	c1ccc(-c2ccc()[nH]2)[nH]1	c1ccc(-c2ccc(-c3ccc(-c4ccc()[nH]4)[nH]3)[nH]2)[nH]1	[]C1=CC=C([])N1	c1ccc()[nH]1	["c1ccc()[nH]1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	48	1
PEDOT	[]C1=C2C(OCCO2)=C([])S1	1.659386503		0.380533333	448.15	21		394.65						303.15	367.33	1.44E-06		1.513571429	185.5	0.344133333	93.78153846	613.7958333		47.43836066	16.6	1509.425926	c1sc(-c2sc()c3c2OCCO3)c2c1OCCO2	c1sc(-c2sc(-c3sc(-c4sc()c5c4OCCO5)c4c3OCCO4)c3c2OCCO3)c2c1OCCO2	[]C1=C2C(OCCO2)=C([])S1	c1sc()c2c1OCCO2	["c1sc()c2c1OCCO2"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	52	1
PBA	[]CC(C(OCCCC)=O)[]			2	406.05	205.8818182		227.6396104			3.9			301.9	326.6822581			1.47	684.3333333	6.834666667	30.565	600.91	310.9	94.312	7.62	100.125	CC(CC()C(=O)OCCCC)C(=O)OCCCC	CC(CC(CC(CC()C(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC	[]CC(C(OCCCC)=O)[]	CC()C(=O)OCCCC	["CC()C(=O)OCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	61	1
PB	[]C/C=C/C[]	1.9025	49.75	0.175	434.025	117.6875	24.85	228.8861947		121.0685	9.98	0.805	24.25		391.3238095		49.75	1.510356667	399.3333333	0.825	24.893	621.1404762		85.4234375	30	608.6733333	CC=CCCC=CC	CC=CCCC=CCCC=CCCC=CC	[]C/C=C/C[]	C/C=C/C	["C/C=C/C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	65	1
PTMC	[]OCCCOC([])=O			48.41333333		542.126		256.1657627						308.8166667	310.476087						9.62	544.3227273		75.35	12.765	5.83875	OCCCOC(=O)OCCCOC()=O	OCCCOC(=O)OCCCOC(=O)OCCCOC(=O)OCCCOC()=O	[]OCCCOC([])=O	OCCCOC()=O	["OCCCOC()=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	69	1
PDLA	CC(C([])=O)O[]			0.107	399.422	69.975	106	330.80625			63.2			309.55	448.9740566					0.715	48.01583333	483.8642857		82.25		1306.628571	OC(C)C(=O)OC(C)C()=O	OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C()=O	CC(C([])=O)O[]	OC(C)C()=O	["OC(C)C()=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	70	1
PAM	[]CC(C(N)=O)[]		22.9	1.203438889		780.7861538		440.2843137	29.3	6.665				307.525	441.99875		22.9	1.49	718.6666667		0.429101458	630.594	271.15	64.31842105	1131.84	0.108930769	CC(CC()C(N)=O)C(N)=O	CC(CC(CC(CC()C(N)=O)C(N)=O)C(N)=O)C(N)=O	[]CC(C(N)=O)[]	CC()C(N)=O	["CC()C(N)=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	74	1
PSf	[]OC1=CC=C(C(C)(C2=CC=C(OC3=CC=C(S(=O)(C4=CC=C([])C=C4)=O)C=C3)C=C2)C)C=C1	2.746666667	20.62071429			36.88857143		459.4236691	14.766			1.815	25.73333333		449.97		20.62071429	1.618777778	192.4	0.033333333	5.670192308	772.065		72.99739286	35.15090909	702.0315	Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc()cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1	Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(Oc%13ccc(C(C)(C)c%14ccc(Oc%15ccc(S(=O)(=O)c%16ccc()cc%16)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1	[]OC1=CC=C(C(C)(C2=CC=C(OC3=CC=C(S(=O)(C4=CC=C([])C=C4)=O)C=C3)C=C2)C)C=C1	Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc()cc4)cc3)cc2)cc1	["Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc()cc4)cc3)cc2)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	82	1
POM	[]C([H])(O[])[H]	3.3		41	418.25	46.11666667	60.5	219.3038462			13.5925		20.425	311.15	441.821875			1.482	229	0.963	57.05666667	583.962		75.88181818	3	7362.941176	COCO	COCOCOCO	[]C([H])(O[])[H]	CO	["CO"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	86	1
sPS	[]C(C[])C1=CC=CC=C1	2.355			513.67	16.88666667	27.83333333	372.2173333			5.55	1.715272727	18.25		542.6674615			1.4954	19.7	0.21475	35.78333333	599.35	508.15	105.1071429	4.7	1719.222222	CC(CC()c1ccccc1)c1ccccc1	CC(CC(CC(CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	[]C(C[])C1=CC=CC=C1	CC()c1ccccc1	["CC()c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	87	1
polyamides	[]NCCCCCC([])=O	2.97			404.15	11.244	1952	505.318038			10.465		26.5	309.15	490.694			1.74199			87.57755102	683.8076271		83.33333333	5.224375	2436.48	NCCCCCC(=O)NCCCCCC()=O	NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC()=O	[]NCCCCCC([])=O	NCCCCCC()=O	["NCCCCCC()=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	88	1
nylon 6	[]NCCCCCC([])=O		33.105		452.7264706	33.98333333	74.275	323.4710526		90	5.078				492.5595238		33.105	1.48		1.45946	69.33	682.65		47.59777778	49.25	7265.084483	NCCCCCC(=O)NCCCCCC()=O	NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC()=O	[]NCCCCCC([])=O	NCCCCCC()=O	["NCCCCCC()=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	91	1
NIPAAm	[]CC(C(NC(C)C)=O)[]			0.05302	373.15	399.1666667		383.433						305.5258824					35		0.7	435.15		52.50846154		1.15925	CC(CC()C(=O)NC(C)C)C(=O)NC(C)C	CC(CC(CC(CC()C(=O)NC(C)C)C(=O)NC(C)C)C(=O)NC(C)C)C(=O)NC(C)C	[]CC(C(NC(C)C)=O)[]	CC()C(=O)NC(C)C	["CC()C(=O)NC(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	92	1
DGEBA	[]C1=CC=C(C(C)(C2=CC=C(OCC(C[])O)C=C2)C)C=C1	4.1			428.15	5.5775	71.696	378.6943636			21.57214286		26.7125		334.86			1.568875	7.21	0.51	67.49894737	572.4309524		74.62857143	3.15	2553.111111	CC(O)COc1ccc(C(C)(C)c2ccc(CC(O)COc3ccc(C(C)(C)c4ccc()cc4)cc3)cc2)cc1	CC(O)COc1ccc(C(C)(C)c2ccc(CC(O)COc3ccc(C(C)(C)c4ccc(CC(O)COc5ccc(C(C)(C)c6ccc(CC(O)COc7ccc(C(C)(C)c8ccc()cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1	[]C1=CC=C(C(C)(C2=CC=C(OCC(C[])O)C=C2)C)C=C1	CC(O)COc1ccc(C(C)(C)c2ccc()cc2)cc1	["CC(O)COc1ccc(C(C)(C)c2ccc()cc2)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	93	1
PHEMA	[]CC(C)(C(OCCO)=O)[]		20	4.305		173.8333333		360.4582609		400				313.4625	438.15		20	1.504324	77.2	0.33	0.974285714	565.61875	333.15	56.32712329	44.09833333	48.69761905	CC(C)(CC()(C)C(=O)OCCO)C(=O)OCCO	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCCO)C(=O)OCCO)C(=O)OCCO)C(=O)OCCO	[]CC(C)(C(OCCO)=O)[]	CC()(C)C(=O)OCCO	["CC()(C)C(=O)OCCO"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	94	1
PA11	[]NCCCCCCCCCCC([])=O				443.65	215.9		319.5172727			31.53166667				457.7833333						38.61111111	661.7055556		91.68	0.283	982.9166667	NCCCCCCCCCCC(=O)NCCCCCCCCCCC()=O	NCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC()=O	[]NCCCCCCCCCCC([])=O	NCCCCCCCCCCC()=O	["NCCCCCCCCCCC()=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	99	1
isotactic polypropylene	[]CC(C)[]				407.9944444	287		268.6857143		125	29.8725		35		437.5423077			1.501			41.625	610.4833333		88.22222222		2013.909091	CC(C)CC()C	CC(C)CC(C)CC(C)CC()C	[]CC(C)[]	CC()C	["CC()C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	101	1
POE	[]CCO[]					549.0636364	65.5	249.2557692	1470		16.88428571		33.5		336.8234091					0.097	16.21105263	580.25		101.7833333		242.2857143	CCOCCO	CCOCCOCCOCCO	[]CCO[]	CCO	["CCO"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	105	1
PPG	[]OCC(C)O[]		140		388.65	265.4		218.3781579						304.5428571	364.7166667		140	1.447	21.33333333		8.32	588.15	308.15	68.48380952	3.05	312.85	OCC(C)OOCC(C)O	OCC(C)OOCC(C)OOCC(C)OOCC(C)O	[]OCC(C)O[]	OCC(C)O	["OCC(C)O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	124	1
PGMA	[]CC(C)(C(OCC1CO1)=O)[]				418.15			344.9106383				1.49	24.25	307.95	339.65			1.518536735				614.3277778	308.15	69.556		189.39	CC(C)(CC()(C)C(=O)OCC1CO1)C(=O)OCC1CO1	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCC1CO1)C(=O)OCC1CO1)C(=O)OCC1CO1)C(=O)OCC1CO1	[]CC(C)(C(OCC1CO1)=O)[]	CC()(C)C(=O)OCC1CO1	["CC()(C)C(=O)OCC1CO1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	128	1
PSU	[]OC1=CC=C(C(C)(C2=CC=C(OC3=CC=C(S(=O)(C4=CC=C([])C=C4)=O)C=C3)C=C2)C)C=C1					200		458.4194915		290		1.245714286	26.625		501.4833333			1.487	8		17.54214286	623.4785714		83.87264706	36.58428571	1041.64	Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc()cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1	Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc(S(=O)(=O)c%12ccc(Oc%13ccc(C(C)(C)c%14ccc(Oc%15ccc(S(=O)(=O)c%16ccc()cc%16)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1	[]OC1=CC=C(C(C)(C2=CC=C(OC3=CC=C(S(=O)(C4=CC=C([])C=C4)=O)C=C3)C=C2)C)C=C1	Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc()cc4)cc3)cc2)cc1	["Oc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc()cc4)cc3)cc2)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	133	1
Polystyrene	[]C(C([H])([])[H])([H])C1=CC=CC=C1	3.022	23.56666667	18.59545455	457.75	37.61571429	35.718	371.1314305	66.83333333	234.125	11.25833333	2.444090909	27.19166667	314.0944444	511.4295918		23.56666667	1.581872		0.210455814	31.997	627.6646939	308.86	85.19065421	18.85	2040.786932	CC(CC()c1ccccc1)c1ccccc1	CC(CC(CC(CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	[]C(C([H])([])[H])([H])C1=CC=CC=C1	CC()c1ccccc1	["CC()c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	134	1
high-density polyethylene	[]C([H])([H])C([H])([H])[]	3.03		26.595	392.0166667	215.2	98.03166667	185.65		53.86666667	48.66666667		19.2		404.9376596			1.5335		1.4174	37.17	473.15		98.75		1199.083333	CCCC	CCCCCCCC	[]C([H])([H])C([H])([H])[]	CC	["CC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	139	1
poly(vinylidene fluoride)	[]CC(F)([])F	3.366666667	1779		433.3166667	39	50.85	237.5136364		92.53333333	6.1	1.306666667		309.15	437.96		1779	1.415	5.5	1.04625	25.80857143	540.15		99.86153846	0.04	7282.5	CC(F)(F)CC()(F)F	CC(F)(F)CC(F)(F)CC(F)(F)CC()(F)F	[]CC(F)([])F	CC()(F)F	["CC()(F)F"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	142	1
PPV	[]/C=C/C1=CC=C([])C=C1	2.381037736			397.75			390.2394737		82.68333333		0.91			454.15			1.875			39.9	611.15		131	19.1	10876.77778	C=Cc1ccc(C=Cc2ccc()cc2)cc1	C=Cc1ccc(C=Cc2ccc(C=Cc3ccc(C=Cc4ccc()cc4)cc3)cc2)cc1	[]/C=C/C1=CC=C([])C=C1	/C=C/c1ccc()cc1	["/C=C/c1ccc()cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	143	1
Poly(lactic acid)	[]C(C)C(O[])=O			2.75	391.9	34.2625	112	331.8939394			3.914615385		28.7		436.4793103					1.49	58.69304348	556.8961538		101.3333333	0.8	2720.130476	OC(=O)C(C)OC(=O)C()C	OC(=O)C(C)OC(=O)C(C)OC(=O)C(C)OC(=O)C()C	[]C(C)C(O[])=O	OC(=O)C()C	["OC(=O)C()C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	154	1
rubber	C/C(C[])=C(C[])\[H]			3.434		271.75	24.63333333	225.8605263		157.6	21.45		18.6		422.275				503.8	0.4788375	11.05291667	700.8166667		102.3769231	8.433333333	45.08823529	CC=C(C)CCC=C(C)C	CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C	C/C(C[])=C(C[])\[H]	C/C=C(/C)C	["C/C=C(/C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	155	1
polydopamine	OC1=C(O)C([])=C2C(NC=C2)=C1[]	2.35				176.75								303.55		2.65E-06		1.6592	18.7	4.9142	258.25	563.4833333		65.53595745	23.65	6063.333333	c1c(O)c(O)c(-c2c(O)c(O)c()c3[nH]ccc23)c2[nH]ccc12	c1c(O)c(O)c(-c2c(O)c(O)c(-c3c(O)c(O)c(-c4c(O)c(O)c()c5[nH]ccc45)c4[nH]ccc34)c3[nH]ccc23)c2[nH]ccc12	OC1=C(O)C([])=C2C(NC=C2)=C1[]	c1c(O)c(O)c()c2[nH]ccc12	["c1c(O)c(O)c()c2[nH]ccc12"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	156	1
PSt	[]C(C1=CC=CC=C1)C[]	2.67		0.9		352.5		367.2050685				1.45			441.4			1.542		0.105	8.7	620.7214286		87.65833333		1120.5	CC(CC()c1ccccc1)c1ccccc1	CC(CC(CC(CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	[]C(C1=CC=CC=C1)C[]	CC()c1ccccc1	["CC()c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	161	1
PFA	[]C(F)(C(F)(C(F)(C(F)([])F)OC(F)(F)C(F)(F)C(F)(F)F)F)F	2.905		25	556.28	233.3333333	60.2		206			3.3			578.2916667			1.346666667		0.19	15.766	610.9		101.18025	7.8	1676.666667	C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C()(F)F	C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C()(F)F	[]C(F)(C(F)(C(F)(C(F)([])F)OC(F)(F)C(F)(F)C(F)(F)F)F)F	C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C()(F)F	["C(F)(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C()(F)F"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	165	1
polyethersulfone	[]OC1=CC=C(S(=O)(C2=CC=C([])C=C2)=O)C=C1	2.523333333	9.6				742.5	492.7157895	26.09		15	3.37			343.15	9.10E-10	9.6	1.565		0.07	22.70333333	573.15		79.16363636		2575	Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc()cc4)cc3)cc2)cc1	Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc()cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1	[]OC1=CC=C(S(=O)(C2=CC=C([])C=C2)=O)C=C1	Oc1ccc(S(=O)(=O)c2ccc()cc2)cc1	["Oc1ccc(S(=O)(=O)c2ccc()cc2)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	168	1
PNIPAAM	[]CC(C(NC(C)C)=O)[]			0.459125		364.7333333		406.8547619						305.1732828	383.605			1.439290476	375.56		8.814285714	658.8166667	305.15	69.13065574	80.95	3.950226667	CC(CC()C(=O)NC(C)C)C(=O)NC(C)C	CC(CC(CC(CC()C(=O)NC(C)C)C(=O)NC(C)C)C(=O)NC(C)C)C(=O)NC(C)C	[]CC(C(NC(C)C)=O)[]	CC()C(=O)NC(C)C	["CC()C(=O)NC(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	169	1
poly(\uc0\u945 -fluoroacrylate)s	C(F)C()(F)C(=O)OC							413																			C(F)C(F)(C(=O)OC)C(F)C()(F)C(=O)OC	C(F)C(F)(C(=O)OC)C(F)C(F)(C(=O)OC)C(F)C(F)(C(=O)OC)C(F)C()(F)C(=O)OC	C(F)C()(F)C(=O)OC	C(F)C()(F)C(=O)OC	["C(F)C()(F)C(=O)OC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	187	1
polymethacrylonitrile	CC()(C)C#N							393.075																			CC(C)(C#N)CC()(C)C#N	CC(C)(C#N)CC(C)(C#N)CC(C)(C#N)CC()(C)C#N	CC()(C)C#N	CC()(C)C#N	["CC()(C)C#N"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	198	1
poly(methacrylic acid)	CC()(C)C(=O)O							501.575																			CC(C)(CC()(C)C(=O)O)C(=O)O	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)O)C(=O)O)C(=O)O)C(=O)O	CC()(C)C(=O)O	CC()(C)C(=O)O	["CC()(C)C(=O)O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	200	1
Poly(isopropyl methacrylate)	CC()(C)C(=O)OC(C)C							354																			CC(C)(CC()(C)C(=O)OC(C)C)C(=O)OC(C)C	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OC(C)C	CC()(C)C(=O)OC(C)C	CC()(C)C(=O)OC(C)C	["CC()(C)C(=O)OC(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	203	1
Poly(1-oxy-2,2,6,6-tetramethylpiperidin-4-yl methacrylate )	CC()(C)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1							344																			CC(C)(CC()(C)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC1CC(C)(C)N(O)C(C)(C)C1	CC()(C)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1	CC()(C)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1	["CC()(C)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	204	1
Poly(isobutyl methacrylate)	CC()(C)C(=O)OCC(C)C							326																			CC(C)(CC()(C)C(=O)OCC(C)C)C(=O)OCC(C)C	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCC(C)C)C(=O)OCC(C)C)C(=O)OCC(C)C)C(=O)OCC(C)C	CC()(C)C(=O)OCC(C)C	CC()(C)C(=O)OCC(C)C	["CC()(C)C(=O)OCC(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	207	1
poly(butyl methacrylate )	CC()(C)C(=O)OCCCC							289.25																			CC(C)(CC()(C)C(=O)OCCCC)C(=O)OCCCC	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC	CC()(C)C(=O)OCCCC	CC()(C)C(=O)OCCCC	["CC()(C)C(=O)OCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	211	1
Poly(octyl methacrylate)	CC()(C)C(=O)OCCCCCCCC							242																			CC(C)(CC()(C)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC	CC()(C)C(=O)OCCCCCCCC	CC()(C)C(=O)OCCCCCCCC	["CC()(C)C(=O)OCCCCCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	213	1
Poly(dodecyl methacrylate)	CC()(C)C(=O)OCCCCCCCCCCCC							209.5																			CC(C)(CC()(C)C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC	CC()(C)C(=O)OCCCCCCCCCCCC	CC()(C)C(=O)OCCCCCCCCCCCC	["CC()(C)C(=O)OCCCCCCCCCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	214	1
Poly(hexadecyl methacrylate)	CC()(C)C(=O)OCCCCCCCCCCCCCCCC							288																			CC(C)(CC()(C)C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC	CC()(C)C(=O)OCCCCCCCCCCCCCCCC	CC()(C)C(=O)OCCCCCCCCCCCCCCCC	["CC()(C)C(=O)OCCCCCCCCCCCCCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	215	1
Poly(octadecyl methacrylate)	CC()(C)C(=O)OCCCCCCCCCCCCCCCCCC							173																			CC(C)(CC()(C)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC	CC()(C)C(=O)OCCCCCCCCCCCCCCCCCC	CC()(C)C(=O)OCCCCCCCCCCCCCCCCCC	["CC()(C)C(=O)OCCCCCCCCCCCCCCCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	216	1
poly(2-hydroxyethyl methacrylate)	CC()(C)C(=O)OCCO							347.825																			CC(C)(CC()(C)C(=O)OCCO)C(=O)OCCO	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCCO)C(=O)OCCO)C(=O)OCCO)C(=O)OCCO	CC()(C)C(=O)OCCO	CC()(C)C(=O)OCCO	["CC()(C)C(=O)OCCO"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	220	1
poly(benzyl methacrylate )	CC()(C)C(=O)OCc1ccccc1							327																			CC(C)(CC()(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	CC(C)(CC(C)(CC(C)(CC()(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	CC()(C)C(=O)OCc1ccccc1	CC()(C)C(=O)OCc1ccccc1	["CC()(C)C(=O)OCc1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	221	1
poly(\uc0\u945 -methyl-p-methylstyrene)	CC()(C)c1ccc(C)cc1							456																			CC(C)(CC()(C)c1ccc(C)cc1)c1ccc(C)cc1	CC(C)(CC(C)(CC(C)(CC()(C)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(C)cc1	CC()(C)c1ccc(C)cc1	CC()(C)c1ccc(C)cc1	["CC()(C)c1ccc(C)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	226	1
polypropylene	CC()C							254.075																			CC(C)CC()C	CC(C)CC(C)CC(C)CC()C	CC()C	CC()C	["CC()C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	231	1
Poly(N,N-dimethylacrylamide) (PDMAA)	CC()C(=O)N(C)C							362																			CC(CC()C(=O)N(C)C)C(=O)N(C)C	CC(CC(CC(CC()C(=O)N(C)C)C(=O)N(C)C)C(=O)N(C)C)C(=O)N(C)C	CC()C(=O)N(C)C	CC()C(=O)N(C)C	["CC()C(=O)N(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	234	1
Poly(N-tert-butylacrylamide)	CC()C(=O)NC(C)(C)C							401																			CC(CC()C(=O)NC(C)(C)C)C(=O)NC(C)(C)C	CC(CC(CC(CC()C(=O)NC(C)(C)C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C	CC()C(=O)NC(C)(C)C	CC()C(=O)NC(C)(C)C	["CC()C(=O)NC(C)(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	235	1
poly(acrylic acid )	CC()C(=O)O							378.3333333																			CC(CC()C(=O)O)C(=O)O	CC(CC(CC(CC()C(=O)O)C(=O)O)C(=O)O)C(=O)O	CC()C(=O)O	CC()C(=O)O	["CC()C(=O)O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	239	1
poly(methyl acrylate)	CC()C(=O)OC							281.825																			CC(CC()C(=O)OC)C(=O)OC	CC(CC(CC(CC()C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC	CC()C(=O)OC	CC()C(=O)OC	["CC()C(=O)OC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	240	1
Poly(sec-butyl acrylate)	CC()C(=O)OC(C)CC							247																			CC(CC()C(=O)OC(C)CC)C(=O)OC(C)CC	CC(CC(CC(CC()C(=O)OC(C)CC)C(=O)OC(C)CC)C(=O)OC(C)CC)C(=O)OC(C)CC	CC()C(=O)OC(C)CC	CC()C(=O)OC(C)CC	["CC()C(=O)OC(C)CC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	243	1
Poly(2-cyanoethyl acrylate)	CC()C(=O)OCCC#N							277																			CC(CC()C(=O)OCCC#N)C(=O)OCCC#N	CC(CC(CC(CC()C(=O)OCCC#N)C(=O)OCCC#N)C(=O)OCCC#N)C(=O)OCCC#N	CC()C(=O)OCCC#N	CC()C(=O)OCCC#N	["CC()C(=O)OCCC#N"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	249	1
Poly(hexadecyl acrylate)	CC()C(=O)OCCCCCCCCCCCCCCCC							308																			CC(CC()C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC	CC(CC(CC(CC()C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC	CC()C(=O)OCCCCCCCCCCCCCCCC	CC()C(=O)OCCCCCCCCCCCCCCCC	["CC()C(=O)OCCCCCCCCCCCCCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	253	1
Poly(potassium acrylate)	CC()C(=O)[O-].[K+]							467																			CC(CC()C(=O)[O-])C(=O)[O-].[K+].[K+]	CC(CC(CC(CC()C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+]	CC()C(=O)[O-].[K+]	CC()C(=O)[O-].[K+]	["CC()C(=O)[O-].[K+]"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	258	1
Poly(sodium acrylate)	CC()C(=O)[O-].[Na+]							503																			CC(CC()C(=O)[O-])C(=O)[O-].[Na+].[Na+]	CC(CC(CC(CC()C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]	CC()C(=O)[O-].[Na+]	CC()C(=O)[O-].[Na+]	["CC()C(=O)[O-].[Na+]"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	259	1
Poly(acrylamide)	CC()C(N)=O							438																			CC(CC()C(N)=O)C(N)=O	CC(CC(CC(CC()C(N)=O)C(N)=O)C(N)=O)C(N)=O	CC()C(N)=O	CC()C(N)=O	["CC()C(N)=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	261	1
Poly(allyl glycidyl ether)	CC()COCC1CO1							195																			CC(COCC1CO1)CC()COCC1CO1	CC(COCC1CO1)CC(COCC1CO1)CC(COCC1CO1)CC()COCC1CO1	CC()COCC1CO1	CC()COCC1CO1	["CC()COCC1CO1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	267	1
poly(vinyl fluoride)	CC()F							310.075																			CC(F)CC()F	CC(F)CC(F)CC(F)CC()F	CC()F	CC()F	["CC()F"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	269	1
Poly(vinyl isocyanate)	CC()N=C=O							324																			CC(CC()N=C=O)N=C=O	CC(CC(CC(CC()N=C=O)N=C=O)N=C=O)N=C=O	CC()N=C=O	CC()N=C=O	["CC()N=C=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	271	1
poly(vinyl butyrate)	CC()OC(=O)CCC							337.15																			CC(CC()OC(=O)CCC)OC(=O)CCC	CC(CC(CC(CC()OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC	CC()OC(=O)CCC	CC()OC(=O)CCC	["CC()OC(=O)CCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	279	1
Poly(tert-butyl vinyl ether)	CC()OC(C)(C)C							361																			CC(CC()OC(C)(C)C)OC(C)(C)C	CC(CC(CC(CC()OC(C)(C)C)OC(C)(C)C)OC(C)(C)C)OC(C)(C)C	CC()OC(C)(C)C	CC()OC(C)(C)C	["CC()OC(C)(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	283	1
Poly(2-ethylhexyl vinyl ether)	CC()OCC(CC)CCCC							207																			CC(CC()OCC(CC)CCCC)OCC(CC)CCCC	CC(CC(CC(CC()OCC(CC)CCCC)OCC(CC)CCCC)OCC(CC)CCCC)OCC(CC)CCCC	CC()OCC(CC)CCCC	CC()OCC(CC)CCCC	["CC()OCC(CC)CCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	288	1
Poly(butyl vinyl ether)	CC()OCCCC							218																			CC(CC()OCCCC)OCCCC	CC(CC(CC(CC()OCCCC)OCCCC)OCCCC)OCCCC	CC()OCCCC	CC()OCCCC	["CC()OCCCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	290	1
poly(ethynylstyrene)	CC()c1ccc(C#C)cc1							426																			CC(CC()c1ccc(C#C)cc1)c1ccc(C#C)cc1	CC(CC(CC(CC()c1ccc(C#C)cc1)c1ccc(C#C)cc1)c1ccc(C#C)cc1)c1ccc(C#C)cc1	CC()c1ccc(C#C)cc1	CC()c1ccc(C#C)cc1	["CC()c1ccc(C#C)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	298	1
Poly(2,4-dimethylstyrene)	CC()c1ccc(C)cc1C							385																			CC(CC()c1ccc(C)cc1C)c1ccc(C)cc1C	CC(CC(CC(CC()c1ccc(C)cc1C)c1ccc(C)cc1C)c1ccc(C)cc1C)c1ccc(C)cc1C	CC()c1ccc(C)cc1C	CC()c1ccc(C)cc1C	["CC()c1ccc(C)cc1C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	301	1
poly(propargyloxystyrene)	CC()c1ccc(CC#C)cc1							327																			CC(CC()c1ccc(CC#C)cc1)c1ccc(CC#C)cc1	CC(CC(CC(CC()c1ccc(CC#C)cc1)c1ccc(CC#C)cc1)c1ccc(CC#C)cc1)c1ccc(CC#C)cc1	CC()c1ccc(CC#C)cc1	CC()c1ccc(CC#C)cc1	["CC()c1ccc(CC#C)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	303	1
poly(4-acetoxystyrene)	CC()c1ccc(OC(C)=O)cc1							396																			CC(CC()c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1	CC(CC(CC(CC()c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1	CC()c1ccc(OC(C)=O)cc1	CC()c1ccc(OC(C)=O)cc1	["CC()c1ccc(OC(C)=O)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	307	1
Poly(TMSpropargyloxystyrene)	CC()c1ccc(OCC#C)cc1							321																			CC(CC()c1ccc(OCC#C)cc1)c1ccc(OCC#C)cc1	CC(CC(CC(CC()c1ccc(OCC#C)cc1)c1ccc(OCC#C)cc1)c1ccc(OCC#C)cc1)c1ccc(OCC#C)cc1	CC()c1ccc(OCC#C)cc1	CC()c1ccc(OCC#C)cc1	["CC()c1ccc(OCC#C)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	309	1
poly(ethyl acrylate-co-methyl methacrylate)	CC(C)(CC()C(=O)OCC)C(=O)OC							264.65																			CC(C)(CC(CC(C)(CC()C(=O)OCC)C(=O)OC)C(=O)OCC)C(=O)OC	CC(C)(CC(CC(C)(CC(CC(C)(CC(CC(C)(CC()C(=O)OCC)C(=O)OC)C(=O)OCC)C(=O)OC)C(=O)OCC)C(=O)OC)C(=O)OCC)C(=O)OC	CC(C)(CC()C(=O)OCC)C(=O)OC	CC(C)(CC()C(=O)OCC)C(=O)OC	["CC(C)(CC()C(=O)OCC)C(=O)OC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	325	1
polypropylene glycol	CC(C)O							197.65																			CC(C)OCC(C)O	CC(C)OCC(C)OCC(C)OCC(C)O	CC(C)O	CC(C)O	["CC(C)O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	327	1
poly(styrene-co-butadiene)	CC(C/C=C\CCC()C=C)c1ccccc1							233.15																			CC(CC=CCCC(C=C)CC(CC=CCCC()C=C)c1ccccc1)c1ccccc1	CC(CC=CCCC(C=C)CC(CC=CCCC(C=C)CC(CC=CCCC(C=C)CC(CC=CCCC()C=C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CC(C/C=C\CCC()C=C)c1ccccc1	CC(C/C=C\CCC()C=C)c1ccccc1	["CC(C/C=C\\CCC()C=C)c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	328	1
styrene-butadiene-styrene triblock copolymer	CC(C/C=C\CCC(C=C)CC()c1ccccc1)c1ccccc1							195.65																			CC(CC=CCCC(C=C)CC(CC(CC=CCCC(C=C)CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CC(CC=CCCC(C=C)CC(CC(CC=CCCC(C=C)CC(CC(CC=CCCC(C=C)CC(CC(CC=CCCC(C=C)CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CC(C/C=C\CCC(C=C)CC()c1ccccc1)c1ccccc1	CC(C/C=C\CCC(C=C)CC()c1ccccc1)c1ccccc1	["CC(C/C=C\\CCC(C=C)CC()c1ccccc1)c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	329	1
isotactic-polystyrene	CC(CC()c1ccccc1)c1ccccc1							363.15																			CC(CC(CC(CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CC(CC(CC(CC(CC(CC(CC(CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CC(CC()c1ccccc1)c1ccccc1	CC(CC()c1ccccc1)c1ccccc1	["CC(CC()c1ccccc1)c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	333	1
styrene-ethylene-butylene-styrene triblock copolymer	CC(CCCCCC(CC)CC()c1ccccc1)c1ccccc1							216.65																			CC(CCCCCC(CC)CC(CC(CCCCCC(CC)CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CC(CCCCCC(CC)CC(CC(CCCCCC(CC)CC(CC(CCCCCC(CC)CC(CC(CCCCCC(CC)CC()c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CC(CCCCCC(CC)CC()c1ccccc1)c1ccccc1	CC(CCCCCC(CC)CC()c1ccccc1)c1ccccc1	["CC(CCCCCC(CC)CC()c1ccccc1)c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	335	1
poly(allyl glycidyl ether )	CC(COCC=C)O							195																			CC(COCC=C)OCC(COCC=C)O	CC(COCC=C)OCC(COCC=C)OCC(COCC=C)OCC(COCC=C)O	CC(COCC=C)O	CC(COCC=C)O	["CC(COCC=C)O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	337	1
PFGEC	CC(COCc1ccco1)OC(=O)O							279.8																			CC(COCc1ccco1)OC(=O)OCC(COCc1ccco1)OC(=O)O	CC(COCc1ccco1)OC(=O)OCC(COCc1ccco1)OC(=O)OCC(COCc1ccco1)OC(=O)OCC(COCc1ccco1)OC(=O)O	CC(COCc1ccco1)OC(=O)O	CC(COCc1ccco1)OC(=O)O	["CC(COCc1ccco1)OC(=O)O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	338	1
poly(\uc0\u945 -methylstyrene)	CCC()(C)c1ccccc1							366																			CCC(C)(CCC()(C)c1ccccc1)c1ccccc1	CCC(C)(CCC(C)(CCC(C)(CCC()(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	CCC()(C)c1ccccc1	CCC()(C)c1ccccc1	["CCC()(C)c1ccccc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	343	1
polyketone	CCC()=O							287.15																			CCC(=O)CCC()=O	CCC(=O)CCC(=O)CCC(=O)CCC()=O	CCC()=O	CCC()=O	["CCC()=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	344	1
ethylene-vinyl acetate copolymer	CCC(C)OC(C)=O							233.15																			CCC(CCCC(C)OC(C)=O)OC(C)=O	CCC(CCCC(CCCC(CCCC(C)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O	CCC(C)OC(C)=O	CCC(C)OC(C)=O	["CCC(C)OC(C)=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	348	1
ethylene-vinyl alcohol copolymer	CCC(O)C							331.15																			CCC(O)CCCC(O)C	CCC(O)CCCC(O)CCCC(O)CCCC(O)C	CCC(O)C	CCC(O)C	["CCC(O)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	351	1
poly(ethylene-co-ethyl acrylate)	CCCC()C(=O)OCC							240.15																			CCCC(CCCC()C(=O)OCC)C(=O)OCC	CCCC(CCCC(CCCC(CCCC()C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC	CCCC()C(=O)OCC	CCCC()C(=O)OCC	["CCCC()C(=O)OCC"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	355	1
chlorinated polyethylene	CCCC()Cl							295.65																			CCCC(Cl)CCCC()Cl	CCCC(Cl)CCCC(Cl)CCCC(Cl)CCCC()Cl	CCCC()Cl	CCCC()Cl	["CCCC()Cl"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	357	1
Poly(trimethylene oxide)	CCCO							195																			CCCOCCCO	CCCOCCCOCCCOCCCO	CCCO	CCCO	["CCCO"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	361	1
Poly(2-isopropyl-2-oxazoline)s	CCN()C(=C)C(C)C							300																			CCN(CCN()C(=C)C(C)C)C(=C)C(C)C	CCN(CCN(CCN(CCN()C(=C)C(C)C)C(=C)C(C)C)C(=C)C(C)C)C(=C)C(C)C	CCN()C(=C)C(C)C	CCN()C(=C)C(C)C	["CCN()C(=C)C(C)C"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	362	1
poly(p-xylylene)	Cc1ccc(C)cc1							508.15																			Cc1ccc(CCc2ccc(C)cc2)cc1	Cc1ccc(CCc2ccc(CCc3ccc(CCc4ccc(C)cc4)cc3)cc2)cc1	Cc1ccc(C)cc1	Cc1ccc(C)cc1	["Cc1ccc(C)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	369	1
polyphosphazenes_2	N=P()(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1							366																			N=P(N=P()(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1	N=P(N=P(N=P(N=P()(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1	N=P()(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1	N=P()(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1	["N=P()(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	374	1
polyamides	NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc()cc3)cc1)C2=O							511																			NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Cc6ccc()cc6)cc4)C5=O)cc3)cc1)C2=O	NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Cc6ccc(NC(=O)c7ccc8c(c7)C(=O)N(c7ccc(Cc9ccc(NC(=O)c%10ccc%11c(c%10)C(=O)N(c%10ccc(Cc%12ccc()cc%12)cc%10)C%11=O)cc9)cc7)C8=O)cc6)cc4)C5=O)cc3)cc1)C2=O	NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc()cc3)cc1)C2=O	NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc()cc3)cc1)C2=O	["NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc()cc3)cc1)C2=O"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	378	1
poly(meso-dicyclohexylglycolide)	OC(C()=O)C1CCCCC1							369																			OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1	OC(C(=O)OC(C(=O)OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1	OC(C()=O)C1CCCCC1	OC(C()=O)C1CCCCC1	["OC(C()=O)C1CCCCC1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	381	1
polymer_tg_3	OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1							371																			OC(C(=O)OC(C(=O)OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1	OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1	OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1	OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1	["OC(C(=O)OC(C()=O)C1CCCCC1)C1CCCCC1"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	383	1
carrageenan	OC1C(O)C(OC2C3COC2C(O)C()O3)OC(CO)C1OS(=O)(=O)[O-]							266.15																			OC1C(O)C(OC2C3COC2C(O)C(OC2C(O)C(OC4C5COC4C(O)C()O5)OC(CO)C2OS(=O)(=O)[O-])O3)OC(CO)C1OS(=O)(=O)[O-]	OC1C(O)C(OC2C3COC2C(O)C(OC2C(O)C(OC4C5COC4C(O)C(OC4C(O)C(OC6C7COC6C(O)C(OC6C(O)C(OC8C9COC8C(O)C()O9)OC(CO)C6OS(=O)(=O)[O-])O7)OC(CO)C4OS(=O)(=O)[O-])O5)OC(CO)C2OS(=O)(=O)[O-])O3)OC(CO)C1OS(=O)(=O)[O-]	OC1C(O)C(OC2C3COC2C(O)C()O3)OC(CO)C1OS(=O)(=O)[O-]	OC1C(O)C(OC2C3COC2C(O)C()O3)OC(CO)C1OS(=O)(=O)[O-]	["OC1C(O)C(OC2C3COC2C(O)C()O3)OC(CO)C1OS(=O)(=O)[O-]"]	valid	2	openpoly	openpoly/final_polymer_properties_fromliterature.csv	401	1

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OpenPoly 2025

Literature-curated polymer property table, distributed with the OpenPoly benchmark; preserve missing values and source property names.

Processed copy of openpoly from the molecular datasets collection. Structures are canonicalized and validated; labels are never averaged or filled. Prefer the original source for citation.

Where the data comes from

Original data: https://github.com/WangGroupFDU/Openpoly_benchmark
Original study: OpenPoly: A Polymer Database Empowering Benchmarking and Multi-Property Predictions
Original study: 10.5281/zenodo.15551637

Data quality

Grade: caution (rough; rules on the hub page).

info: experiment. Label origin from the source's tags.
warn: multi-source. Compiled from several labs or publications; assay protocols can differ (Walters 2023: 45% of same-compound IC50 pairs from two papers differ by >0.3 log units).
good: valid structures. Rows RDKit cannot parse (kept in quarantine).
info: 2 stereoisomer sets. Groups of stereoisomers in the sampled structures; their labels can differ sharply.
bad: R² ceiling ≈ 0.49. Replicate SD is 0.72× the label SD, so no model can explain more than about 49% of the variance.
bad: 10% label coverage. Median share of molecules labelled per task; missing labels are unmeasured, not negative.
bad: 61 molecules per task. Median molecules with a label per task.
warn: 69% agree with polymetrix_tg. Polymer glass transition, experimental: on 138 shared molecules, 69% agree within ±15 K (MAE 20.81, r = 0.87).
warn: 73% agree with simpoly_experiment. Polymer glass transition, experimental: on 48 shared molecules, 73% agree within ±15 K (MAE 18.38, r = 0.89).

Tables

Config	Splits	Rows	Targets
`000_final_polymer_properties_fromliterature`	full	741	`Bandgap (eV)` (regression, not_verified), `CO2 Permeability (Barrer)` (regression, not_verified), `Compressive Strength (MPa)` (regression, not_verified), `Crystallization Temperature (K)` (regression, not_verified), `Elongation at Break (%)` (regression, not_verified), `Flexural Strength (MPa)` (regression, not_verified), `Tg (K)` (regression, not_verified), `H2 Permeability (Barrer)` (regression, not_verified) and 20 more

data/ holds parseable rows with identical rows collapsed. observations/ holds every source row, including unparseable structures, for auditing. Added columns: SMILES_original, SMILES_canonical (RDKit; stereo, salts, and * kept), structure_key (JSON list of canonical components; use it to deduplicate or group), structure_status, wildcard_atom_count, source_row_first, observation_count, source_dataset, source_table. All original columns are strings, so censored values such as <10 survive; cast labels yourself.

Load

from torch_molecule.datasets import load_dataset
data = load_dataset("openpoly")

from datasets import load_dataset
ds = load_dataset("liuganghuggingface/moldata-openpoly", "000_final_polymer_properties_fromliterature")

Known issues

Repository table provenance is literature based; measurement conditions and source-level references may require the paper or database.
Properties have sparse and non-uniform coverage.
A public repository does not establish a redistribution license.

License

Not stated by the source. Redistributed with the collection maintainer's approval; check the original source (https://github.com/WangGroupFDU/Openpoly_benchmark) for its terms before reuse.

Citation

Cite the original study and data source:

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Molecular Datasets

Collection

Small-molecule and polymer datasets. Start from molecular-datasets-index. https://liugangcode.github.io/molecular-dataset-hub/ • 206 items • Updated about 7 hours ago