Unnamed: 0,POLYMER SMILES,He,H2,O2,N2,CO2,CH4
239,<polymer_spg>[*:1]Oc1c(C#N)c2c(c(C#N)c1O[*:2])Oc1cc3c(cc1O2)-c1cc2c(cc1C31c3cc([*:3])c([*:4])cc3-c3cc4c(cc31)C(C)(C)CCC4(C)C)C(C)(C)CCC2(C)C;2->1;2->3;4->3,3.122400711,3.4967247285,3.0954458585,2.618771869,3.8586271565,2.899670275
253,<polymer_spg>[*:1]Oc1cc2c(cc1O[*:2])C1(C)c3cc4c(cc3C2(C)c2cc3cc5c(cc3cc21)C(C)(C)CCC5(C)C)Oc1c(C#N)c([*:3])c([*:4])c(C#N)c1O4;2->1;2->3;4->3,3.693453469333333,4.1234416498333335,3.771665806666667,3.248847441166667,4.441522543666667,3.4540105956666665
294,<polymer_spg>[*:1]c1ccc(-c2ccc(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)cc2C(F)(F)F)c(C(F)(F)F)c1;2->1,2.311753861,2.477121255,1.806179974,1.204119983,2.62324929,1.301029996
102,<polymer_spg>[*:1]CC(COc1ccc(C(C)(C)c2ccc(O[*:2])cc2)cc1)OC(=O)c1ccccc1Cl;2->1,-0.039589402,-0.073844208,-1.253818824,-1.999685703,-0.66156512,-2.019412835
351,<polymer_spg>[*:1]c1cccc2c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)cccc12;2->1,2.278753601,2.544068044,1.886490725,1.278753601,2.707570176,1.431363764
6,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C(C)(C)C)cc1)c1ccccc1;2->1,3.180977978,3.5372662045,3.1643936000000004,2.86619688,3.7251245545,3.1527015495
133,<polymer_spg>[*:1]CC([*:2])C#N;2->1,-1.65874037725,-1.853593502,-3.35006665275,-4.082478981,-2.7086810815,-4.150302612
212,<polymer_spg>[*:1]N=P(N=P(N=S([*:2])(=O)NCCC)(NCCC)NCCC)(NCCC)NCCC;2->1,1.407373714,1.555600869,0.721246399,0.1231018,1.33541971,0.233411454
135,<polymer_spg>[*:1]CC([*:2])C(=O)OCC;2->1,1.643452676,1.781036939,1.278753601,0.810232518,2.245512668,1.173186268
208,<polymer_spg>[*:1]C[Si]([*:2])(C)C;2->1,2.009693247,2.397841087,1.995635195,1.602059991,2.832675082,2.113943352
179,<polymer_spg>[*:1]CCCS(=O)(=O)CCCCS(=O)(=O)CCCOC(=O)c1cccc(C(=O)O[*:2])c1;2->1,-0.798120474,-0.941089186,-2.306609796,-3.135532,-1.762205007,-3.238992591
92,<polymer_spg>[*:1]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N([*:2])C4=O)cc2)cc1;2->1,0.431363764,0.505867885,-0.513751373,-1.183095003,0.139879086,-1.100521496
134,<polymer_spg>[*:1]CC([*:2])C(=O)OC;2->1,1.093421685,1.025305865,0.025305865,-0.619788758,0.981365509,-0.537602002
26,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(F)cc1;2->1,4.198657087,4.522444234,4.252853031,4.193124598,4.672097858,4.53529412
199,<polymer_spg>[*:1]CN1CN([*:2])Cc2cc3c(cc21)C1(C)CCC3(C)c2cc([*:3])c([*:4])cc21;2->1;2->3;4->3,3.351639921,3.79764642725,3.178976208,2.53476406575,3.70832715725,2.66228137025
246,<polymer_spg>[*:1]Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3cccc(C([*:2])=O)c3)c(C)c2)cc1C;2->1,1.491361694,1.644737269,0.823149324,0.228034206,1.434806143,0.338211424
100,<polymer_spg>[*:1]CC(COc1ccc(C(C)(C)c2ccc(O[*:2])cc2)cc1)OC(=O)CCl;2->1,-0.077064526,-0.11604546,-1.304971347,-2.054664108,-0.713285341,-2.077759083
103,<polymer_spg>[*:1]CC(COc1ccc(C(C)(C)c2ccc(O[*:2])cc2)cc1)OC(C)=O;2->1,0.442868103,0.469457828,-0.595277477,-1.291889664,0.00428483,-1.268258936
113,<polymer_spg>[*:1]CC(CS(=O)(=O)CCCCC)O[*:2];2->1,0.693699783,0.751922835,-0.252899069,-0.923903535,0.350463012,-0.877730874
20,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C)c1ccccc1;2->1,4.0127553365,4.373752514,4.1037498615,4.0085166695000005,4.55320425,4.392607953500001
224,<polymer_spg>[*:1]Nc1ccc([*:2])cc1OC;2->1,0.791690649,0.781036939,-0.694648631,-1.327902142,0.025305865,-1.568236353
52,<polymer_spg>[*:1]C(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc([*:2])cc4C3=O)cc2)cc1;2->1,0.397940009,0.393871453,-0.700769733,-1.415014352,-0.142667504,-1.425554551
76,<polymer_spg>[*:1]C=C([*:2])c1cccc(O[Si](C)(C)C(C)(C)C)c1;2->1,1.681241237,1.806179974,1.230448921,0.880813592,1.763427994,1.079181246
228,<polymer_spg>[*:1]OC1C(C)(C)C(OC([*:2])=O)C1(C)C;2->1,1.875061263,1.931566984,1.071090072,0.436277685,1.505149978,0.40597516
132,<polymer_spg>[*:1]CC([*:2])(F)F;2->1,0.1769643688,0.0903421128,-1.0514100501,-1.8018311652,-0.5100139168,-1.8573692531
196,<polymer_spg>[*:1]CCc1ccc([*:2])c(Cl)c1;2->1,0.1212817635,0.079180377,-1.3258798505,-2.1665004695,-0.8963155460000001,-2.394220114
150,<polymer_spg>[*:1]CC([*:2])OC(=O)c1ccc(C)cc1;2->1,1.045116555,1.145851182,0.224379576,-0.411522095,0.828015064,-0.335916757
298,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N([*:2])C%11=O)cc9C8=O)cc7)cc6C(F)(F)F)cc5)c5ccccc5C(=O)N4c4ccccc4)cc3)c(C(F)(F)F)c2)cc1;2->1,1.509977997,1.593538591,0.625312451,-0.017728767,1.164055292,-0.075720714
221,<polymer_spg>[*:1]NC(CCCCNC(=O)OCc1ccccc1)C([*:2])=O;2->1,-0.341227388,-0.366531544,-1.698970004,-2.522878745,-1.0,-2.586302522
317,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)c(C)c(N3C(=O)c4ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C)c1C)C2=O;2->1,2.359427171,2.63748973,1.939519253,1.408202161,2.561681382,1.545601003
90,<polymer_spg>[*:1]CC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3)cc2)cc1;2->1,0.579783597,0.677493297,-0.30313657,-0.954940925,0.359835482,-0.853606502
106,<polymer_spg>[*:1]CC(COc1ccc(C2CCCC(CC)(c3ccc(O[*:2])cc3)C2)cc1)OC(C)=O;2->1,0.442868103,0.469457828,-0.595277477,-1.291889664,0.00428483,-1.268258936
146,<polymer_spg>[*:1]CC([*:2])N1CCCC1=O;2->1,-0.366510417,-0.441994461,-1.7000571,-2.479299755,-1.112755823,-2.528406874
275,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc4c(c3)Oc3cc5nc6cc7c(cc6nc5cc3O4)C(C)(C)CC73CC(C)(C)c4cc5nc6cc([*:2])c([*:3])cc6nc5cc43)c3ccccc3-c3ccccc32)cc1O[*:4];2->1;2->3;4->3,2.230448921,2.505149978,1.770852012,1.113943352,2.633468456,1.342422681
114,<polymer_spg>[*:1]CC(CS(C)(=O)=O)O[*:2];2->1,-1.121077292,-1.291722603,-2.730020323,-3.586297658,-2.154149751,-3.703216769