Unnamed: 0,POLYMER SMILES,He,H2,O2,N2,CO2,CH4
341,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O;2->1,1.548451587,1.714470604,0.913813852,0.330072071,1.530124309,0.453060219
306,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3ccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N([*:2])C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C(F)(F)F)c4)cc3)cc2C(F)(F)F)cc1;2->1,2.296347295,2.299268464,1.180985581,0.457881897,1.520090328,0.075546961
74,<polymer_spg>[*:1]C=C([*:2])c1cc(C(F)(F)F)oc1C(F)(F)F;2->1,2.874572518,2.954876572,2.079181246,1.591064607,2.342422681,1.342422681
140,<polymer_spg>[*:1]CC([*:2])C(C)=O;2->1,0.602059991,0.679795236,-0.305204054,-0.953425183,0.318461378,-0.871521827
21,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1cc(F)cc(F)c1;2->1,4.136720567,4.45484486,4.181843588,4.117271296,4.557507202,4.463892989
141,<polymer_spg>[*:1]CC([*:2])C;2->1,1.0371663501875,1.12912198884375,0.2098307741249999,-0.4158753898125,0.75594749103125,-0.34526145528125
269,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)c(CC)c2)cc1CC;2->1,0.751677022,0.840165997,-0.142667504,-0.797399137,0.525044807,-0.718399186
49,<polymer_spg>[*:1]C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(-c5cc(C)c(N6C(=O)c7ccc([*:2])cc7C6=O)c(C)c5)cc3C)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.534902351,1.756682529,0.973127854,0.413883214,1.748188027,0.604775887
156,<polymer_spg>[*:1]CC([*:2])OC;2->1,1.301029996,1.438216742,0.581654886,-0.02482618,1.195881834,0.07929976
295,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(-n8c(=O)c9cc%10c(=O)n([*:2])c(=O)c%10cc9c8=O)cc7)cc6C(F)(F)F)cc5)c5ccccc5C(=O)N4c4ccccc4)cc3)c(C(F)(F)F)c2)cc1;2->1,1.858477723,1.974609007,0.881954971,0.079181246,1.59736605,-0.102372909
226,<polymer_spg>[*:1]OC(=O)C([*:2])C;2->1,0.448612684,0.4647967938333333,-0.6194224943333334,-1.3695557733333334,-0.036075071,-1.3726734341666669
322,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3ccccc3)(c3cc(C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)C(F)(F)F)cc1C(C)C)C2=O;2->1,2.137978255,2.378344697,1.718501689,1.194945424,2.343742707,1.370913605
164,<polymer_spg>[*:1]CC1CC([*:2])OC(C)O1;2->1,0.397940009,0.349384461,-0.785434193,-1.524516901,-0.283996656,-1.588970738
101,<polymer_spg>[*:1]CC(COc1ccc(C(C)(C)c2ccc(O[*:2])cc2)cc1)OC(=O)c1ccccc1;2->1,0.343479597,0.357535064,-0.730940079,-1.437698963,-0.132883378,-1.423000158
22,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(Br)cc1;2->1,3.963787827,4.315970345,4.056904851,3.963787827,4.515873844,4.350248018
340,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)(C)C)c3)cc1C(C)(C)C)C2=O;2->1,1.815812052,2.015548903,1.278753601,0.722306984,1.899114221,0.869322487
309,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3cccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N([*:2])C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C(F)(F)F)c4)n3)cc2C(F)(F)F)cc1;2->1,1.799674113,1.960270574,1.084576278,0.281033367,1.715334684,0.290034611
142,<polymer_spg>[*:1]CC([*:2])CC(C)C;2->1,1.956961005375,2.22534954,1.456988386,0.9383149495,2.105711497625,1.09555038825
258,<polymer_spg>[*:1]Oc1cc2c(cc1O[*:2])C1(CC2(C)C)CC(C)(C)c2cc3oc4cc5c(=O)n(-c6c(C)cc(-c7cc(C)c(N8C(=O)c9cc([*:3])c([*:4])cc9C8=O)c8ccccc78)c7ccccc67)c(=O)c5cc4oc3cc21;2->1;2->3;4->3,2.819543936,3.204119983,2.736396502,2.204119983,3.568201724,2.414973348
66,<polymer_spg>[*:1]C(C)=C([*:2])c1ccc([Si](C)(C)C)cc1;2->1,2.431363764,2.707570176,2.380211242,2.0,2.977723605,2.301029996
229,<polymer_spg>[*:1]OC1C(CO)OC([*:2])C(O)C1O;2->1,-2.236885255,-2.2828578425,-3.740130462,-4.560272927,-2.8640778520000003,-4.455570795
12,<polymer_spg>[*:1]C(=C([*:2])c1ccc(S(=O)(=O)O)cc1)c1ccc(S(=O)(=O)O)cc1;2->1,1.188451054,1.383583297,0.397940009,-0.552841969,1.322219295,-0.475430636
307,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3ccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N([*:2])C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C(F)(F)F)c4)s3)cc2C(F)(F)F)cc1;2->1,1.819027124,1.961063201,1.066325925,0.250420002,1.656194062,0.225309282
254,<polymer_spg>[*:1]Oc1cc2c(cc1O[*:2])C1(CC2(C)C)CC(C)(C)c2cc3c(cc21)Oc1c(C#N)c([*:3])c([*:4])c(C#N)c1O3;2->1;2->3;4->3,3.1513273432,3.5113544984,3.062485445,2.4988091294,3.777662681,2.6322034218
320,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(-c3cc(C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O;2->1,2.146975201,2.388476282,1.730782276,1.208144521,2.356159586,1.384921246
330,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1cc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5ccc(C)c(N6C(=O)c7ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)(C(F)(F)F)C(F)(F)F)cc3)ccc1C)C2=O;2->1,1.513361294,1.714218516,0.919078092,0.349438182,1.643452676,0.51649865
17,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccc(C(C)C)cc1;2->1,1.938135094,2.155551646,1.462397998,0.959041392,2.079181246,1.130944698
170,<polymer_spg>[*:1]CCC=C([*:2])Cl;2->1,1.1517917318,1.32718094,0.5452171306,-0.0090161084,1.2770264828,0.2078138702
124,<polymer_spg>[*:1]CC(O)COc1ccc(S(=O)(=O)c2ccc(O[*:2])cc2)cc1;2->1,-0.5231936765,-0.6184376359999999,-1.9139254805,-2.709164126,-1.3289977505,-2.772352176
145,<polymer_spg>[*:1]CC([*:2])F;2->1,0.113943352,-0.568636236,-1.397940009,-2.045757491,-0.939412874,-2.0
220,<polymer_spg>[*:1]NC(CCC(=O)OCc1ccccc1)C([*:2])=O;2->1,0.330526127,0.383815366,-0.552841969,-1.22184875,0.222716471,-1.055690373
205,<polymer_spg>[*:1]COC(=O)Nc1ccc(Cc2ccc(NC(=O)OCc3cccc([*:2])n3)cc2)cc1;2->1,-0.149347903,-0.202552834,-1.420216403,-2.207608311,-0.835478142,-2.251266843
144,<polymer_spg>[*:1]CC([*:2])Cl;2->1,0.3020950172,0.3370722586,-0.8570841409333333,-1.4764943837333333,-0.2446630966666666,-1.5002023825333335
186,<polymer_spg>[*:1]CCOC(=O)c1ccc(O[*:2])cc1;2->1,-1.384351707,-1.739322769,-3.497750458,-5.040457788,-3.169430577,-5.529980675
274,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC([*:2])=O)c(C)c3)CCCCC2)cc1C;2->1,0.176687083,0.169707719,-0.958607315,-1.682394256,-0.363077303,-1.682684887
266,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC(=O)N(C)c3ccc(S(=O)(=O)c4ccc(N(C)C([*:2])=O)cc4)cc3)cc2)cc1;2->1,0.781755375,0.874774766,-0.077205061,-0.714695405,0.544033869,-0.627078934
272,<polymer_spg>[*:1]Oc1ccc(C(CCCCC)(CCCCC)c2ccc(OC([*:2])=O)cc2)cc1;2->1,1.270213252,1.401142585,0.534026106,-0.078121377,1.146121615,0.019861836
289,<polymer_spg>[*:1]c1c(C)cc(C)c(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N([*:2])C6=O)cc4)cc3C2=O)c1C;2->1,1.43632458,1.602059991,0.645422269,0.007121218,1.250898023,0.037034476
278,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c([*:2])c(C)c4)cc3C)cc2)cc1;2->1,1.584331224,1.673422668,0.807053574,0.181457033,1.322219295,0.208983362
81,<polymer_spg>[*:1]C=CCC[*:2];2->1,1.9207559905,2.2332340691666666,1.705356833,1.3018854081666666,2.4591272785,1.6517709578333333
1,<polymer_spg>[*:1]C(=C([*:2])c1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1;2->1,2.3227111345,2.6409709670000003,2.26445835,1.8202407185,3.0641996345,2.247077297
173,<polymer_spg>[*:1]CCCCCCCC(=O)N[*:2];2->1,-0.804266352,-1.514420523,-1.762205007,-2.804266352,-2.658664415,-2.748738066
8,<polymer_spg>[*:1]C(=C([*:2])c1ccc(CCCC)cc1)c1ccccc1;2->1,2.021143347,2.251947419,1.568201724,1.041392685,2.204119983,1.214871029
293,<polymer_spg>[*:1]c1cc2c(cc1[*:2])C1(C(C)C)c3ccccc3C2(C(C)C)c2cc3c(cc21)Oc1cc2nc([*:3])c([*:4])nc2cc1O3;2->1;2->3;4->3,2.396572786,3.043362278,1.785329835,0.850646235,2.682817048,0.861534411
232,<polymer_spg>[*:1]OC1C(COCC)OC([*:2])C(OCC)C1OCC;2->1,1.612783857,1.939519253,1.17320354,0.653212514,1.838849091,0.857006012
318,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(-c3cc(C)c(-c4cc(C)c(N5C(=O)c6ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C)c4)cc3C)cc1C)C2=O;2->1,2.152781474,2.396238882,1.740362689,1.218866574,2.369215857,1.397636166
299,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C3(CC4(C)C)CC(C)(C)c4ccc(Oc5ccc(-c6ccc(N7C(=O)c8ccc(C(c9ccc%10c(c9)C(=O)N([*:2])C%10=O)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)cc5C(F)(F)F)cc43)c(C(F)(F)F)c2)cc1;2->1,2.629617991,2.617905308,1.557266529,0.525044807,1.724111954,0.08278537
126,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OC;2->1,0.65110208725,0.56626770025,-0.46408845,-1.4711614615,-0.1115444018749999,-1.55745952
241,<polymer_spg>[*:1]Oc1c(C#N)c2c(c(C#N)c1O[*:2])Oc1cc3c(cc1O2)-c1ccc(C)cc1C31c2cc(C)ccc2-c2cc([*:3])c([*:4])cc21;2->1;2->3;4->3,3.226437322,3.643945633,3.1729416065,2.5660721875,3.9160819475,2.7204970225
283,<polymer_spg>[*:1]c1c(C)c(C)c(N2C(=O)c3cc4c(cc3C2=O)C2(CC(C)(C)c3cc5c(cc32)C(=O)N([*:2])C5=O)CC4(C)C)c(C)c1C;2->1,2.83325899,3.1999752370000003,2.765259928,2.298188572,3.547165675,2.507889378
240,<polymer_spg>[*:1]Oc1c(C#N)c2c(c(C#N)c1O[*:2])Oc1cc3c(cc1O2)-c1ccc(C(C)(C)C)cc1C31c2cc(C(C)(C)C)ccc2-c2cc([*:3])c([*:4])cc21;2->1;2->3;4->3,3.288159155,3.7102163575,3.3555871505,2.886893222,4.1074219240000005,3.180296707
153,<polymer_spg>[*:1]CC([*:2])OC1C2CC3CC(C2)CC1C3;2->1,1.431928904,1.590544289,0.778874472,0.227886705,1.401400541,0.360860601
5,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1;2->1,2.72427587,3.0,2.672097858,2.322219295,3.361727836,2.73239376
33,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(Br)cc1;2->1,3.531478917,3.939519253,3.698970004,3.544068044,4.230448921,3.968482949
331,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1cc(C(=O)Oc3ccc(C(c4ccc(OC(=O)c5ccc(C)c(N6C(=O)c7ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)(C(F)(F)F)C(F)(F)F)cc3)ccc1C)C2=O;2->1,1.530906717,1.735052047,0.944482672,0.377117857,1.672097858,0.547048324
281,<polymer_spg>[*:1]Oc1ccc([*:2])cc1;2->1,1.8942145323333333,2.026970539333333,1.2286919213333334,0.5352189553333333,1.8250098276666664,0.6062471316666667
34,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(C(C)(C)C)cc1;2->1,3.431363764,3.799340549,3.544068044,3.397940009,4.041392685,3.819543936
162,<polymer_spg>[*:1]CC([*:2])c1ccccc1;2->1,1.1256357387058824,1.2413324895882354,0.3305795400588235,-0.2834403471764706,0.9653395533529412,-0.1981960824705882
97,<polymer_spg>[*:1]CC(CO[*:2])(CS(C)(=O)=O)CS(C)(=O)=O;2->1,-0.412040928,-0.493266995,-1.762205007,-2.546095929,-1.175593457,-2.599294819
85,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)CCCCCCCCCCCCCCCCCCC;2->1,1.590130005,1.807792529,1.079181246,0.653212514,1.785329835,0.873219207
311,<polymer_spg>[*:1]c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C5([*:2])OC(=O)c6ccccc65)cc4)cc3)cc2)cc1;2->1,0.6607992155,1.146406821,-0.1526974009999999,-0.8975501175,0.4065902664999999,-1.073769874
248,<polymer_spg>[*:1]Oc1c(C)cc(C2(c3cc(C)c(OC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)c(C)c3)CC(C)CC(C)(C)C2)cc1C;2->1,2.007446554,2.231351153,1.540329475,1.003447065,2.163593108,1.167684523
344,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O;2->1,1.682953453,1.739000589,0.568201724,-0.214670165,1.204119983,-0.468521083
176,<polymer_spg>[*:1]CCCCCNC(=O)CCCCC(=O)N[*:2];2->1,-0.236254444,-0.255640416,-1.468521083,-2.216570398,-0.769551079,-2.206241538
158,<polymer_spg>[*:1]CC([*:2])OCC1CCCCC1;2->1,1.00977668,1.10320589,0.190331698,-0.397940009,0.770115295,-0.314108974
108,<polymer_spg>[*:1]CC(COc1ccc(S(=O)(=O)c2ccc(O[*:2])cc2)cc1)OC(C)=O;2->1,-0.22660596,-0.284446127,-1.509091329,-2.274050963,-0.919670682,-2.310585042
46,<polymer_spg>[*:1]C(=C([*:2])c1cccc(O[Si](C)(C)C(C)(C)C)c1)c1ccc([Si](C)(C)C)cc1;2->1,2.924279286,3.204119983,2.908485019,2.633468456,3.462397998,3.041392685
280,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc([*:2])cc4)cc3)cc2)cc1;2->1,1.0938378302,1.1265281194,0.1024412671999999,-0.6522531316,0.658267872,-0.696781195
171,<polymer_spg>[*:1]CCCCCC(=O)N[*:2];2->1,-0.7090404074444445,-0.8161939243333334,-2.103222268,-2.770919493777778,-1.5171398024444445,-2.7937990386666667
73,<polymer_spg>[*:1]C=C([*:2])C(C)(C)C;2->1,2.528894329,2.772027844,2.1781624255,1.68528789975,2.81397202125,1.8855631985
137,<polymer_spg>[*:1]CC([*:2])C(=O)OCCCCCCCCCCCCCC;2->1,1.723455672,1.983175072,1.756636108,1.344392274,2.472756449,1.813580989
334,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5ccc(N6C(=O)c7ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O;2->1,1.28851688,1.476747109,0.633468456,0.047958608,1.397940009,0.213731445
189,<polymer_spg>[*:1]CCOCCOC(=O)c1ccc(-c2ccc(C(=O)O[*:2])cc2)cc1;2->1,-0.816953925,-0.949245094,-2.314900215,-3.140129213,-1.73442257,-3.229717133
159,<polymer_spg>[*:1]CC([*:2])OCC;2->1,0.204119983,-0.031517051,-1.619788758,-1.744727495,-1.125945595,-2.035099103
29,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1;2->1,3.544068044,3.886490725,3.591064607,3.431363764,4.056904851,3.819543936
233,<polymer_spg>[*:1]OC1OC(OC(C)=O)C([*:2])C(OC(C)=O)C1OC(C)=O;2->1,1.0501852725,0.917528051,-0.363383583,-1.105209644,0.4466033765,-1.0853481135
287,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(CC(C)(C)c4cc6c(cc43)C(=O)N([*:2])C6=O)CC5(C)C)c3ccccc23)c2ccccc12;2->1,2.72742243,3.117157384,2.717842569,2.2278791015,3.55241659,2.4828359855
27,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1cccc(F)c1;2->1,4.10720997,4.431363764,4.155336037,4.079181246,4.546542663,4.444044796
217,<polymer_spg>[*:1]NC(CC(C)C)C([*:2])=O;2->1,1.56535284,1.733197265,0.935003151,0.283301229,1.583198774,0.404259732
167,<polymer_spg>[*:1]CC1CCC(COC(=O)c2ccc(C(=O)O[*:2])cc2)CC1;2->1,0.428989294,0.45382871,-0.614221673,-1.312250765,-0.014869611,-1.289867308
181,<polymer_spg>[*:1]CCCS(=O)(=O)CCCS(=O)(=O)CCCOC(=O)c1cccc(C(=O)O[*:2])c1;2->1,-0.775217401,-0.915157986,-2.275161082,-3.101684916,-1.730020323,-3.20292053
138,<polymer_spg>[*:1]CC([*:2])C(=O)OCCCCCCCCCCCCCCCCCC;2->1,1.837588438,2.053078443,1.875061263,1.463892989,2.631443769,1.958085849
204,<polymer_spg>[*:1]COC(=O)NCCCCCCNC(=O)OCc1cccc([*:2])n1;2->1,-0.679164353,-0.800831622,-2.148741651,-3.0,-1.573915191,-3.09580517
168,<polymer_spg>[*:1]CCC1CC(=O)N([*:2])C1=O;2->1,2.169327783,2.093564071,1.327971624,0.663512274,1.068334313,0.457336116
231,<polymer_spg>[*:1]OC1C(COC)OC([*:2])C(OC)C1OC;2->1,0.96907616,1.062027963,0.122982182,-0.519908764,0.730515856,-0.448988369
237,<polymer_spg>[*:1]Oc1c(Br)cc(C2(c3cc(Br)c(OC(=O)c4cc(C([*:2])=O)cc(C(C)(C)C)c4)c(Br)c3)CC(C)CC(C)(C)C2)cc1Br;2->1,1.751032808,1.942600104,1.190331698,0.627271687,1.809710997,0.768465559
35,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(F)c(F)c1;2->1,3.698970004,4.041392685,3.819543936,3.707570176,4.414973348,4.079181246
216,<polymer_spg>[*:1]N=P([*:2])(Oc1ccccc1)Oc1ccccc1;2->1,0.667452953,0.851740915,-0.013228266,-0.608938285,0.674861141,-0.407877061
284,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C(C)C)c4ccccc4C5(C(C)C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,2.9573566435,3.336996853,2.7385389115,2.1590316675,3.462686475,2.277365688
219,<polymer_spg>[*:1]NC(CCC(=O)OC)C([*:2])=O;2->1,0.565431998,0.785329835,-0.091514981,-0.638272164,1.025305865,-0.317905639
218,<polymer_spg>[*:1]NC(CCC(=O)O)C([*:2])=O;2->1,-1.084473556,-0.920818754,-3.22184875,-4.0,-2.22184875,-4.442741752
44,<polymer_spg>[*:1]C(=C([*:2])c1cccc(O)c1)c1ccc(C(C)(C)C)cc1;2->1,2.908485019,3.230448921,2.763427994,2.322219295,3.477121255,2.69019608
348,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N([*:2])C7=O)cc5)cc4)cc3C2=O)c1;2->1,0.749680648,0.67300112,-0.4343511015,-1.2310085995,0.1215953825,-1.291081103
129,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OCCO;2->1,1.4046659082,1.5525515724,0.7175503186000001,0.1191292764,1.33168261,0.2291955832
93,<polymer_spg>[*:1]CC(C)(COC(=O)NCCCCCCNC(=O)O[*:2])CN(C)C;2->1,0.135426122,0.107662193,-1.065501549,-1.886056648,-0.488454247,-1.932976492
111,<polymer_spg>[*:1]CC(CS(=O)(=O)CCC)O[*:2];2->1,0.487961896,0.520238569,-0.533725678,-1.225734183,0.066519742,-1.198050932
166,<polymer_spg>[*:1]CC1CC([*:2])OCO1;2->1,0.113943352,-0.007661113,-1.24295555,-2.031592687,-0.795880017,-2.166660665
235,<polymer_spg>[*:1]O[Si]([*:2])(C)C;2->1,2.5194999803333333,2.852818957,2.425020214,2.0234671066666667,3.140130498,2.3636759413333333
343,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O;2->1,1.206572366,1.329475708,0.447158031,-0.171486629,1.058289464,-0.079222744
18,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccc(CCCC)cc1;2->1,1.879477653,2.099922162,1.397940009,0.897627091,2.041392685,1.078023588
321,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(-c3cc(C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c4ccccc34)c3ccccc13)C2=O;2->1,2.38066411,2.725108192,2.149219113,1.683509932,2.981365509,1.969648349
79,<polymer_spg>[*:1]C=CC1CCC([*:2])C1;2->1,1.098602377,1.322219295,0.447158031,0.176091259,1.187520721,0.397940009
190,<polymer_spg>[*:1]CCOCCOC(=O)c1cccc(C(=O)O[*:2])c1;2->1,-0.334203715,-0.405613439,-1.655959333,-2.431903756,-1.068168651,-2.478107512
71,<polymer_spg>[*:1]C1C2CC(C1[*:2])C([Si](C)(C)C)C2;2->1,3.3852416335,3.6287002635,3.1222829745,3.0050770355000003,3.032812121,3.0203209455
213,<polymer_spg>[*:1]N=P(N=P(N=S([*:2])(=O)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC;2->1,1.723397432,1.911479527,1.152610163,0.586728822,1.771570822,0.725439137
296,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(=O)c%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->1,1.595942118,1.678196122,0.636487896,-0.080921908,1.232742063,-0.207608311
338,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc6C5=O)c(F)c4)c4ccccc4-c4ccccc43)cc1F)C2=O;2->1,1.677458748,1.859747343,1.089905111,0.519333833,1.708169859,0.653915695
315,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C(C)C)cc(C(c3ccccc3)(c3cc(C(C)C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)C(F)(F)F)cc1C(C)C)C2=O;2->1,2.273210477,2.530631563,1.903089987,1.39333975,2.530379597,1.581461083
160,<polymer_spg>[*:1]CC([*:2])OCc1ccccc1;2->1,1.071658928,1.217856082,0.367355921,-0.102372909,1.045322979,0.067094282
236,<polymer_spg>[*:1]Oc1c(-c2ccccc2)cc([*:2])cc1-c1ccccc1;2->1,1.423964347,1.447158031,0.633468456,-0.055517328,1.505149978,-0.017728767
161,<polymer_spg>[*:1]CC([*:2])[Si](C)(C)C;2->1,2.09384495375,2.30305607225,1.596455557,1.0198465455,2.25492720325,1.201615402
83,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)CCCC;2->1,1.242102293,1.377596534,0.544068044,0.041392685,1.146128036,0.177320348
349,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(Oc4ccc(C5(c6ccc(Oc7ccc8c(c7)C(=O)N([*:2])C8=O)c(C)c6)CCCCC5)cc4C)cc3C2=O)c1;2->1,0.495908525,0.529187378,-0.522878745,-1.214075969,0.077487056,-1.185678564
118,<polymer_spg>[*:1]CC(O)COc1ccc(C(C)(CC)c2ccc(O[*:2])cc2)cc1;2->1,-0.087166035,-0.127420908,-1.318759631,-2.069483668,-0.72722665,-2.093486453
198,<polymer_spg>[*:1]CN1CN([*:2])Cc2cc(C3(c4cc([*:3])c([*:4])c(C)c4)C4CC5CC(C4)CC3C5)cc(C)c21;2->1;2->3;4->3,2.502312279,2.778444102666666,2.1353584973333333,1.5506885403333337,2.7883198300000003,1.6980468263333333
329,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(CC)cc(Cc3cc(CC)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(CC)c3)cc1CC)C2=O;2->1,1.805602487,2.004051771,1.264817823,0.707328899,1.885023781,0.85342688
110,<polymer_spg>[*:1]CC(CS(=O)(=O)CC)O[*:2];2->1,-0.536190424,-0.633073452,-1.931665687,-2.728231187,-1.346934841,-2.792587239
149,<polymer_spg>[*:1]CC([*:2])OC(=O)c1ccc(C(C)C)cc1;2->1,1.413973102,1.563476048,0.730864626,0.133588963,1.346352974,0.245027803
157,<polymer_spg>[*:1]CC([*:2])OCC1CC2CC1C1CCCC21;2->1,0.878731006,0.925164591,-0.091514981,-0.886056648,0.45484486,-0.901289308
152,<polymer_spg>[*:1]CC([*:2])OC(C)=O;2->1,0.7370452940000001,0.78856033675,-0.21660536325,-0.88988198975,0.37114370175,-0.8545467225000001
16,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccc(C(C)(C)C)cc1;2->1,1.924983692,2.126273092,1.414973348,0.875061263,2.0,1.020270116
223,<polymer_spg>[*:1]Nc1ccc([*:2])cc1;2->1,0.3820880665,0.294393475,-1.0245742705,-1.8723637475,-0.3358713754999999,-1.895977371
75,<polymer_spg>[*:1]C=C([*:2])c1cc(C(F)(F)F)sc1C(F)(F)F;2->1,2.723035803,2.813432795,1.857332496,1.342422681,2.255272505,1.079181246
109,<polymer_spg>[*:1]CC(CS(=O)(=O)C(C)C)O[*:2];2->1,0.295107178,0.303062217,-0.796967113,-1.508664398,-0.199643191,-1.498312762
286,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)c4ccccc4C5(C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,3.0141526135000003,3.4349530565000004,2.8391895275000003,2.193588093,3.5226614895,2.266555419
238,<polymer_spg>[*:1]Oc1c(C#N)c2c(c(C#N)c1O[*:2])Oc1cc3c(cc1O2)-c1cc(C)c(C)cc1C31c2cc([*:3])c([*:4])cc2-c2cc(C)c(C)cc21;2->1;2->3;4->3,3.361604655,3.7946306655,3.2705523775,2.640402964,3.968007914,2.785084596
139,<polymer_spg>[*:1]CC([*:2])C(=O)OCCCCCCCCCCCCCCCCCCCCCC;2->1,1.866287339,2.164352856,1.882524538,1.556302501,2.606381365,1.970346876
252,<polymer_spg>[*:1]Oc1cc2c(cc1O[*:2])C(C)(C)CC1(CC(C)(C)c3cc4c(cc3O1)Oc1c(C#N)c([*:3])c([*:4])c(C#N)c1O4)O2;2->1;2->3;4->3,2.585863227,2.8661968795000003,2.3077119765000003,1.7605690415,3.165206887,1.9310656895
4,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1;2->1,2.278753601,2.531478917,1.913813852,1.361727836,2.72427587,1.662757832
96,<polymer_spg>[*:1]CC(CCl)O[*:2];2->1,0.740362689,0.949390007,0.021189299,-0.356547324,0.721086548,-0.16181288
300,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C3(CC4(C)C)CC(C)(C)c4ccc(Oc5ccc(-c6ccc(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N([*:2])C%10=O)cc8C7=O)cc6)cc5C(F)(F)F)cc43)c(C(F)(F)F)c2)cc1;2->1,2.273841963,2.247091443,1.116275588,0.049218023,1.354876423,-0.387216143
61,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)CCC;2->1,2.2478902865,2.4956113165,1.92254902,1.439260898,2.500771259,1.7102329049999998
67,<polymer_spg>[*:1]C(Cl)=C([*:2])c1ccccc1;2->1,1.541579244,1.651278014,0.903089987,0.230448921,1.785329835,0.414973348
279,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C4CCC(C(C)(C)c5cc(C)c([*:2])c(C)c5)CC4C)cc3C)cc2)cc1;2->1,1.683947131,1.896602003,1.153929058,0.600396811,1.812913357,0.771385799
194,<polymer_spg>[*:1]CCc1ccc([*:2])c(C)c1;2->1,-0.034884882,-0.002248193,-1.2404770195,-1.8084987975,-0.579034673,-1.804198287
154,<polymer_spg>[*:1]CC([*:2])OC1CC2CCC1C2;2->1,1.1759908645,1.3502912415,0.5179748895,0.0307262395,1.249155277,0.2176798495
210,<polymer_spg>[*:1]Cc1ccc(C[*:2])cc1;2->1,0.397940009,0.505149978,-0.619788758,-1.327902142,0.113943352,-1.283543686
270,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)cc2)cc1;2->1,1.2596583270714288,1.4545043307857142,0.4360481914999999,-0.3027301242857143,1.0906001206428573,-0.2854572702142857
249,<polymer_spg>[*:1]Oc1c(C)cc(C2CCC(C(C)(C)c3cc(C)c(OC(=O)c4ccc(C([*:2])=O)cc4)c(C)c3)CC2C)cc1C;2->1,2.170261715,2.265507638,1.4758825,0.871815178,1.919078092,0.869841474
328,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O;2->1,1.6419178,1.819724192,1.041392685,0.467192986,1.659119034,0.598580827
40,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C1(CC1)c1ccccc1-2)c1ccc([Si](C)(C)C)cc1;2->1,2.924279286,3.278753601,3.0,2.73239376,3.612783857,3.176091259
112,<polymer_spg>[*:1]CC(CS(=O)(=O)CCCC)O[*:2];2->1,0.678176177,0.734441489,-0.274088368,-0.946677658,0.329038551,-0.901900085
13,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1;2->1,2.748188027,3.079181246,2.792391689,2.397940009,3.51851394,2.86332286
107,<polymer_spg>[*:1]CC(COc1ccc(O[*:2])cc1)OC(C)=O;2->1,-0.389135761,-0.467473173,-1.730940079,-2.512492584,-1.143981546,-2.563633015
268,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)c(C)c2)cc1C;2->1,0.510325629,0.530869024,-0.522878745,-1.219132398,0.037426498,-1.206930626
3,<polymer_spg>[*:1]C(=C([*:2])c1ccc(-c2ccccc2)cc1)c1ccccc1;2->1,2.301029996,2.643452676,2.255272505,1.812913357,3.113943352,2.230448921
234,<polymer_spg>[*:1]OC1OC(OCC)C([*:2])C(OCC)C1OCC;2->1,1.669719195,1.828058172333333,1.1817690386666666,0.625502168,1.9678413546666669,0.9726767786666668
125,<polymer_spg>[*:1]CC([*:2])(C)C#N;2->1,-1.296952218,-1.544148941,-3.043639446,-3.942297585,-2.620875854,-4.140386968
24,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(Cl)cc1;2->1,3.968482949,4.31386722,4.068185862,3.963787827,4.546542663,4.356025857
30,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2)c1ccccc1;2->1,3.176091259,3.568201724,3.301029996,3.041392685,3.903089987,3.477121255
77,<polymer_spg>[*:1]C=CC1CC([*:2])C([Si](C)(C)C)C1;2->1,1.782932755,2.146128036,1.477121255,0.857332496,2.949390007,1.230448921
188,<polymer_spg>[*:1]CCOC(=O)c1cccc(C(=O)O[*:2])c1;2->1,-0.478916342,-0.574196277,-1.860985815,-2.6541218305000003,-1.291043038,-2.7200319865
184,<polymer_spg>[*:1]CCC[Si]([*:2])(C)C;2->1,1.259778955,1.556580573,0.977723605,0.477121255,1.808647121,0.924279286
326,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(C3(c4cc(C)c(N5C(=O)c6ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C)c4)c4ccccc4-c4ccccc43)cc1C)C2=O;2->1,2.182208283,2.42815274,1.778874472,1.259833706,2.404785518,1.439776785
264,<polymer_spg>[*:1]Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc4c(c3)Oc3c(C#N)c([*:2])c([*:3])c(C#N)c3O4)c(-c3ccccc3)c2-c2ccccc2)cc1O[*:4];2->1;2->3;4->3,2.6393177073333334,2.9922882273333333,2.534470816,2.046882097333333,3.3910084486666663,2.3114100386666667
250,<polymer_spg>[*:1]Oc1c(C)cc([*:2])cc1C;2->1,1.858012439,1.9562266393333327,1.146735583,0.5148845816666666,1.6385545343333334,0.566586746
19,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)CCCCCCCC)cc1)c1ccccc1;2->1,1.960184146,2.20973882,1.531478917,1.041392685,2.230448921,1.249963667
301,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc4c(c3)C3(CC4(C)C)CC(C)(C)c4ccc(Oc5ccc(-c6ccc(N7C(=O)c8ccc(Oc9ccc(C(C)(C)c%10ccc(Oc%11ccc%12c(c%11)C(=O)N([*:2])C%12=O)cc%10)cc9)cc8C7=O)cc6)cc5C(F)(F)F)cc43)c(C(F)(F)F)c2)cc1;2->1,2.22688841,2.212985304,0.996511672,0.008600172,1.377852419,-0.455931956
303,<polymer_spg>[*:1]c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4)cc2)C3=O)cc1;2->1,0.742725131,0.64738297,-0.673664139,-1.431798276,-0.080921908,-1.522878745
182,<polymer_spg>[*:1]CCCS(=O)(=O)CCCS(=O)(=O)CCCOC(=O)c1ccccc1C(=O)O[*:2];2->1,-0.84974855,-0.99954326,-2.377501444,-3.211830049,-1.834755674,-3.32030618
313,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N([*:2])C8=O)cc6)cc5)cc4C3=O)cc2)cc1;2->1,0.351054788,0.358632359,-0.744727495,-1.494850022,-0.155074139,-1.499943908
80,<polymer_spg>[*:1]C=CCCC[*:2];2->1,2.380211242,2.618048097,2.491361694,2.0,3.301029996,2.633468456
51,<polymer_spg>[*:1]C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(-c5cc(C)c(N6C(=O)c7ccc([*:2])cc7C6=O)c(C)c5)cc3C)C4=O)c(C)c2)cc1C;2->1,0.875991827,0.990777709,0.041392685,-0.595868759,0.740362689,-0.492926349
2,<polymer_spg>[*:1]C(=C([*:2])c1ccc(-c2ccc([Si](C)(C)C)cc2)cc1)c1ccccc1;2->1,2.568201724,2.908485019,2.591064607,2.204119983,3.342422681,2.653212514
11,<polymer_spg>[*:1]C(=C([*:2])c1ccc(S(=O)(=O)O)cc1)c1ccc(C(C)(C)C)cc1;2->1,2.039797565,2.34761619,1.653212514,1.041392685,2.531478917,1.27227431
104,<polymer_spg>[*:1]CC(COc1ccc(C(C)(c2ccccc2)c2ccc(O[*:2])cc2)cc1)OC(=O)c1ccccc1;2->1,0.214472436,0.212258325,-0.907031338,-1.626960725,-0.310928927,-1.623855634
261,<polymer_spg>[*:1]Oc1ccc(-c2c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c(-c3ccc4c(c3)Oc3c(C#N)c([*:2])c([*:3])c(C#N)c3O4)c(-c3ccc(Br)cc3)c2-c2ccc(Br)cc2)cc1O[*:4];2->1;2->3;4->3,2.3494622856666667,2.665787713333333,2.089645372666667,1.4985073786666667,2.920059148,1.753631604
86,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](CC)(CC)CC;2->1,1.487183099,1.629213588,0.819543936,0.255272505,1.380211242,0.362533439
10,<polymer_spg>[*:1]C(=C([*:2])c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(F)cc1;2->1,2.2442753585,2.4818939135,2.1276362525000003,1.734468903,2.8875866930000003,2.135920803
36,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(F)cc1;2->1,3.662757832,4.041392685,3.792391689,3.672097858,4.322219295,4.041392685
335,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(C(C)(C)c3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O;2->1,1.852479994,1.871345289,0.876794976,0.123851641,1.477121255,0.024744148
58,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)C(C)C;2->1,2.832508913,3.217483944,2.662757832,2.230448921,3.342422681,2.556302501
41,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C1(CC1)c1ccccc1-2)c1ccccc1;2->1,2.865898395,3.230065360333333,2.917677074666667,2.672900166333333,3.5668320120000003,3.0595659580000003
14,<polymer_spg>[*:1]C(=C([*:2])c1ccc([Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1;2->1,2.897627091,3.176091259,2.919078092,2.591064607,3.579783597,3.041392685
155,<polymer_spg>[*:1]CC([*:2])OC1CCCCC1;2->1,1.295271059,1.417387078,0.567026366,-0.004364805,1.133538908,0.093786374
50,<polymer_spg>[*:1]C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc(N4C(=O)c5ccc([*:2])cc5C4=O)cc3)cc2)cc1;2->1,0.431363764,0.467199021,-0.587343188,-1.278276514,0.017033339,-1.242565676
209,<polymer_spg>[*:1]Cc1ccc(C[*:2])c(Cl)c1;2->1,-0.004364805,-0.180456064,-1.522878745,-2.251811973,-1.337242168,-2.506574547
342,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(F)(F)F)c3)cc1C(F)(F)F)C2=O;2->1,1.403532571,1.551275305,0.716003344,0.117466598,1.330118466,0.227431053
276,<polymer_spg>[*:1]Oc1ccc(Oc2ccc(C(=O)c3ccc([*:2])cc3)cc2)cc1;2->1,2.1887361578,2.43550387,1.787784843,1.2694105162,2.4137947774,1.4499402468
332,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O;2->1,1.415540441,1.564797534,0.73239376,0.135082912,1.346690786,0.2461265
305,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3ccc(-c4ccc(-c5ccc(Oc6ccc(N7C(=O)c8ccc(C(c9ccc%10c(c9)C(=O)N([*:2])C%10=O)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)c(C(F)(F)F)c5)cc4)cc3)cc2C(F)(F)F)cc1;2->1,2.258896163,2.281668513,1.232487866,0.492760389,1.563599729,0.178976947
345,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)(C(F)(F)F)C(F)(F)F)cc3)c1)C2=O;2->1,1.118920034,1.256031275,0.361727836,-0.254478301,1.041392685,-0.13970201
123,<polymer_spg>[*:1]CC(O)COc1ccc(O[*:2])cc1;2->1,-0.969322827,-1.120829812,-2.522879614,-3.363664145,-1.944710159,-3.466945269
222,<polymer_spg>[*:1]NC(CCCCSC)C([*:2])=O;2->1,0.349499548,0.482873584,-0.387216143,-1.045757491,0.63447727,-0.759964122
271,<polymer_spg>[*:1]Oc1ccc(C(CCC)(CCC)c2ccc(OC([*:2])=O)c(C)c2)cc1C;2->1,0.967311838,1.060041136,0.120573931,-0.522497137,0.728080878,-0.451735299
62,<polymer_spg>[*:1]C(C)=C([*:2])[Si](C)(C)CCCC;2->1,1.792391689,1.812913357,1.462397998,0.903089987,2.0,1.230448921
316,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C(C)C)cc(Cc3cc(C(C)C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O;2->1,2.104658336,2.340822677,1.673020907,1.14606297,2.297757172,1.319036731
130,<polymer_spg>[*:1]CC([*:2])(C)C;2->1,1.3160329241666666,1.4281838336666668,0.6982732046666666,0.1563236346666666,1.3477367938333331,0.3431428258333333
187,<polymer_spg>[*:1]CCOC(=O)c1ccc2cc(C(=O)O[*:2])ccc2c1;2->1,-0.278533463,-0.3471755465,-1.58564298675,-2.35773314725,-1.00885948825,-2.404004501
23,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(C)cc1;2->1,3.698970004,4.033423755,3.755874856,3.612783857,4.227886705,4.004321374
43,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)CCC2)c1ccccc1;2->1,2.301029996,2.556302501,1.934498451,1.477121255,2.591064607,1.77815125
0,<polymer_spg>[*:1]=CC1CC(C=[*:2])C2C1C([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C2[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C;2->1,2.62324929,2.838849091,2.469822016,2.0,3.064457989,2.477121255
201,<polymer_spg>[*:1]CN1CN([*:2])Cc2cc3c(cc21)C1c2ccccc2C3c2cc([*:3])c([*:4])cc21;2->1;2->3;4->3,3.3011960026666665,3.7522529043333335,3.165149632,2.449949144666667,3.735274666333333,2.542817190333333
297,<polymer_spg>[*:1]c1ccc(-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N([*:2])C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6C(F)(F)F)cc5)c5ccccc5C(=O)N4c4ccccc4)cc3)c(C(F)(F)F)c2)cc1;2->1,2.015963878,2.130462838,1.009875634,0.23299611,1.731185708,0.004321374
98,<polymer_spg>[*:1]CC(COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(O[*:2])c(Cl)c2)cc1Cl)OC(C)=O;2->1,0.229996042,0.229739671,-0.885842039,-1.604186602,-0.289504466,-1.599686423
178,<polymer_spg>[*:1]CCCS(=O)(=O)CCCCS(=O)(=O)CCCOC(=O)O[*:2];2->1,-0.492037695,-0.594537712,-1.886320788,-2.683190543,-1.332080315,-2.756915947
256,<polymer_spg>[*:1]Oc1cc2c(cc1O[*:2])C1(CC2(C)C)CC(C)(C)c2cc3c(cc21)Oc1cc2nc4cc5c(cc4nc2cc1O3)C(C)(C)CC51CC(C)(C)c2cc3nc4cc([*:3])c([*:4])cc4nc3cc21;2->1;2->3;4->3,2.643452676,2.934498451,2.278753601,1.62324929,3.041392685,1.792391689
94,<polymer_spg>[*:1]CC(C)(COC(=O)Nc1ccc(Cc2ccc(NC(=O)O[*:2])cc2)cc1)CN(C)C;2->1,0.145316725,0.120723691,-1.045757491,-1.853871964,-0.466355434,-1.894603423
324,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(C)c(N3C(=O)c4ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc4C3=O)c1C)C2=O;2->1,2.267812442,2.536558443,1.795880017,1.24826474,2.415183887,1.364054296
95,<polymer_spg>[*:1]CC(C)O[*:2];2->1,1.137121043,1.160855143375,-0.0686811702499999,-0.84491603975,0.1854191688749999,-1.089613086625
308,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cccc(C(C)(C)c8cccc(Oc9ccc%10c(c9)C(=O)N([*:2])C%10=O)c8)c7)cc6C5=O)cc4)cc3C)c(C)c2)cc1;2->1,0.152662784,0.142653625,-0.991399828,-1.71763944,-0.396233753,-1.720089106
169,<polymer_spg>[*:1]CCC=C([*:2])C;2->1,1.924684166875,2.190075859125,1.597810555125,1.334292841125,2.40602825225,1.657222515625
69,<polymer_spg>[*:1]C([*:2])(F)F;2->1,0.257923777,0.1957012949090909,-0.8322994425454546,-1.516933642363636,-0.2881456026363636,-1.485176350909091
48,<polymer_spg>[*:1]C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc(N4C(=O)c5ccc([*:2])cc5C4=O)cc3C)cc2)(C(F)(F)F)C(F)(F)F)cc1;2->1,1.164087773,1.324459724,0.447158031,-0.156530111,1.176091259,-0.016570506
207,<polymer_spg>[*:1]C[*:2];2->1,1.2045007702166666,1.4017669943666666,0.6380596271166666,0.1105128787833333,1.2575472850499998,0.3063055115666666
227,<polymer_spg>[*:1]OC(C)CC([*:2])=O;2->1,0.229056173,0.221895485,-0.896170913,-1.617528989,-0.318758763,-1.621201904
148,<polymer_spg>[*:1]CC([*:2])OC(=O)C1CCCCC1;2->1,1.108425289,1.217530271,0.311310192,-0.317961899,0.916980047,-0.236206275
143,<polymer_spg>[*:1]CC([*:2])CCCC;2->1,4.494779378,5.008297532,4.857332496,4.431363764,5.490683108,4.752817135
180,<polymer_spg>[*:1]CCCS(=O)(=O)CCCCS(=O)(=O)CCCOC(=O)c1ccccc1C(=O)O[*:2];2->1,-0.879204166,-1.032893348,-2.4179476,-3.255360745,-1.876148359,-3.366698417
131,<polymer_spg>[*:1]CC([*:2])(Cl)Cl;2->1,-0.6922749481428572,-0.7587033424285714,-2.064609118714286,-2.8190226245714283,-1.3540273965714285,-2.827067755714286
336,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccccc3)(c3ccc(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)C(F)(F)F)cc1)C2=O;2->1,1.303735892,1.438892892,0.579783597,-0.028941518,1.19238693,0.072054334
350,<polymer_spg>[*:1]c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C4(CC(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N([*:2])C8=O)cc64)CC5(C)C)cc3C2=O)c1;2->1,1.208836936,1.332025872,0.450249108,-0.168164359,1.061414846,-0.07569696
262,<polymer_spg>[*:1]Oc1ccc(-c2c(-c3ccc(C#N)cc3)c(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)Oc3c(C#N)c([*:2])c([*:3])c(C#N)c3O4)c(-c3ccc(C#N)cc3)c2-c2ccc(C#N)cc2)cc1O[*:4];2->1;2->3;4->3,2.4479276366666665,2.734185293666666,2.156683332666667,1.5660010193333334,2.9500920333333336,1.80067626
203,<polymer_spg>[*:1]CN1Cc2cc3c(cc2N([*:2])C1)C1c2cc([*:3])c([*:4])cc2C3c2cc3cc4c(cc3cc21)C(C)(C)CCC4(C)C;2->1;2->3;4->3,3.361727836,3.785329835,3.307496038,2.597695186,3.782472624,2.851258349
84,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)CCCCCCCC;2->1,1.614504413,1.826061369,1.079181246,0.591064607,1.77815125,0.785120785
121,<polymer_spg>[*:1]CC(O)COc1ccc(C2CCCC(CC)(c3ccc(O[*:2])cc3)C2)cc1;2->1,0.122940399,0.109182838,-1.031970075,-1.761244082,-0.437254255,-1.766364862
302,<polymer_spg>[*:1]c1ccc(C(C#N)(C(=O)OCCCC)C([*:2])(C#N)C(=O)OCCCC)cc1;2->1,1.65866865,1.8470136845,1.0916078655,0.56922714,1.7192489095,0.7253407199999999
347,<polymer_spg>[*:1]c1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(N3C(=O)c4cc5c(cc4C3=O)C3(CC(C)(C)c4cc6c(cc43)C(=O)N([*:2])C6=O)CC5(C)C)cc21;2->1,2.521138084,2.79518459,2.318063335,1.812913357,3.182699903,2.11058971
91,<polymer_spg>[*:1]CC(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N([*:2])C5=O)cc3)c2)cc1;2->1,0.51851394,0.469236368,-0.651585639,-1.387348248,-0.167491087,-1.460282523
82,<polymer_spg>[*:1]C=Cc1ccc([*:2])cc1[Si](C)(C)C(C)(C)C;2->1,1.494883123,1.6446626,0.812913357,0.176091259,1.414973348,0.270604977
267,<polymer_spg>[*:1]Oc1ccc(C(C)(C)c2ccc(OC([*:2])=O)c(C(C)C)c2)cc1C(C)C;2->1,1.047809651,1.174317376,0.26245109,-0.36174998,0.936513742,-0.255330731
119,<polymer_spg>[*:1]CC(O)COc1ccc(C(C)(c2ccccc2)c2ccc(O[*:2])cc2)cc1;2->1,-0.077064526,-0.11604546,-1.304971347,-2.054664108,-0.713285341,-2.077759083
291,<polymer_spg>[*:1]c1cc(C(c2ccc(O)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)c4ccccc4C5(C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O;2->1,1.9044429335,1.918225357,0.8677994499999999,0.065166884,1.539590623,-0.2673085745
57,<polymer_spg>[*:1]C(=O)c1ccc2c(c1)C(=O)N(c1c(C)c(C)c(N3C(=O)c4ccc([*:2])cc4C3=O)c(C)c1C)C2=O;2->1,1.810376409,2.033423755,1.071882007,0.4403482,1.676376692,0.443347134
257,<polymer_spg>[*:1]Oc1cc2c(cc1O[*:2])C1(CC2(C)C)CC(C)(C)c2cc3oc4cc5c(=O)n(-c6c(C)c(C)c(N7C(=O)c8cc([*:3])c([*:4])cc8C7=O)c(C)c6C)c(=O)c5cc4oc3cc21;2->1;2->3;4->3,2.414973348,2.72427587,2.176091259,1.672097858,3.041392685,1.886490725
312,<polymer_spg>[*:1]c1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N([*:2])C6=O)cc4C3=O)cc2)cc1;2->1,-1.497750458,1.308543072,-0.60199051,-1.503236356,0.16917462,-0.63311031
42,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)CCC2)c1ccc([Si](C)(C)C)cc1;2->1,2.72427587,3.041392685,2.653212514,2.230448921,3.301029996,2.672097858
105,<polymer_spg>[*:1]CC(COc1ccc(C(C)(c2ccccc2)c2ccc(O[*:2])cc2)cc1)OC(C)=O;2->1,0.2854702,0.292209884,-0.810121325,-1.522802461,-0.212943391,-1.513316889
273,<polymer_spg>[*:1]Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C([*:2])=O)cc4)c(C)c3)CCCCC2)cc1C;2->1,0.716447723,0.777539604,-0.22184875,-0.89053085,0.381857933,-0.84231386
310,<polymer_spg>[*:1]c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n([*:2])c(=O)c5cc4c3=O)cc2)cc1;2->1,0.3950882292,0.3509409654,-0.7778388038666667,-1.5372869039333332,-0.2144726280666666,-1.5875669519333333
38,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc(F)c1;2->1,3.612783857,3.995635195,3.770852012,3.62324929,4.255272505,4.041392685
53,<polymer_spg>[*:1]C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(N4C(=O)c5ccc([*:2])cc5C4=O)cc3)cc2)cc1;2->1,0.72427587,0.812406292,-0.150135534,-0.791058354,0.471879566,-0.705269349
304,<polymer_spg>[*:1]c1ccc(Oc2ccc(-c3cc(-c4ccccc4)c4cc(Oc5ccc6nc([*:2])cc(-c7ccccc7)c6c5)ccc4n3)cc2)cc1;2->1,1.040710903,1.142696832,0.220761654,-0.414816011,0.829380501,-0.337457891
128,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCCC)cc2)cc1;2->1,2.55696184,2.85823682,2.313831405,1.85229698,2.955554054,2.084549602
290,<polymer_spg>[*:1]c1cc(C(c2ccc(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(CC(C)(C)c4cc5oc6cc8c(=O)n([*:2])c(=O)c8cc6oc5cc43)CC7(C)C)c2)(C(F)(F)F)C(F)(F)F)ccc1C;2->1,2.204119983,2.342422681,1.591064607,0.954242509,2.322219295,0.954242509
28,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccccc1;2->1,4.049218023,4.394451681,4.158362492,4.064457989,4.587710965,4.463892989
183,<polymer_spg>[*:1]CCC[Si](C)(C)O[Si](C)(C)CCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N([*:2])C4=O)cc2C1=O;2->1,0.902708368,0.990063161,0.041392685,-0.591760035,0.651101834,-0.519158861
163,<polymer_spg>[*:1]CC1CC(C[*:2])C2C1C([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C2[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C;2->1,2.477121255,2.662757832,2.342422681,1.875061263,2.924279286,2.33243846
151,<polymer_spg>[*:1]CC([*:2])OC(=O)c1ccccc1;2->1,1.025690925,1.123857194,0.197705815,-0.440230074,0.800717078,-0.366511889
244,<polymer_spg>[*:1]Oc1c(C)cc(-c2cc(C)c(Oc3ccc(C(=O)c4ccc([*:2])c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(C)c2)cc1C;2->1,0.8884214318333333,1.1336090916666668,0.3543444681666667,-0.2771165866666666,1.2768645963333334,0.0554165894999999
202,<polymer_spg>[*:1]CN1CN([*:2])Cc2cc3cc4c(cc3cc21)C1CC4c2cc3cc4c(cc3cc21)CN([*:3])CN4C[*:4];2->1;2->3;4->3,2.8388855275,3.2529583195,2.47117438925,1.71305135575,3.07304485275,1.80063792425
31,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1cc([Si](C)(C)C)ccc1-2)c1ccccc1;2->1,3.531478917,3.929418926,3.73239376,3.531478917,4.255272505,4.0
32,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cc(F)cc(F)c1;2->1,3.322219295,3.698970004,3.431363764,3.230448921,3.963787827,3.62324929
127,<polymer_spg>[*:1]CC([*:2])(C)C(=O)OCC;2->1,0.938707454,1.031234081,0.06069784,-0.657577319,0.698970004,-0.606159179
185,<polymer_spg>[*:1]CCOC(=O)c1ccc(C(=O)O[*:2])cc1;2->1,0.2551842668709677,0.2235602015483871,-0.9184308005161292,-1.6089217114193548,-0.3496011959354839,-1.6325429420967743
327,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O;2->1,1.962198047,2.180396186,1.478566496,0.937064609,2.101144673,1.09723564
288,<polymer_spg>[*:1]c1c(C)cc(C)c(-n2c(=O)c3cc4c(=O)n([*:2])c(=O)c4cc3c2=O)c1C;2->1,2.117554942,2.371067862,1.559906625,0.985414809,2.17449179,1.065481992
319,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(-c3cc(C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O;2->1,2.290245586,2.549815034,1.926342447,1.418331345,2.553890117,1.607983602
147,<polymer_spg>[*:1]CC([*:2])O;2->1,0.9146112748461538,0.9947275654615384,0.1498767306923076,-0.4602308997692308,0.7930913115384615,-0.3167500424615385
285,<polymer_spg>[*:1]c1c(C)cc(-c2cc(C)c(N3C(=O)c4cc5c(cc4C3=O)C3(C)CCC5(C)c4cc5c(cc43)C(=O)N([*:2])C5=O)c3ccccc23)c2ccccc12;2->1,3.125867765,3.5413532,2.9793822505,2.3421488310000003,3.687449291,2.426520399
325,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(C3(c4cc(C)c(N5C(=O)c6ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C(C)C)c4)c4ccccc4-c4ccccc43)cc1C(C)C)C2=O;2->1,2.290245586,2.549815034,1.926342447,1.418331345,2.553890117,1.607983602
177,<polymer_spg>[*:1]CCCCOC(=O)c1ccc(C(=O)O[*:2])cc1;2->1,0.269979677,0.176141943,-1.015118456,-1.783434533,-0.553929064,-1.894694373
99,<polymer_spg>[*:1]CC(COc1ccc(C(C)(C)c2ccc(O[*:2])cc2)cc1)OC(=O)CC;2->1,0.486322451,0.518392367,-0.535963476,-1.228139354,0.064257108,-1.200603438
197,<polymer_spg>[*:1]CCc1ccc([*:2])cc1;2->1,0.101050954,0.176650409,-0.7424059105,-1.266053281,0.130644111,-1.014700944
243,<polymer_spg>[*:1]Oc1c(C#N)c2c(c(C#N)c1O[*:2])Oc1cc3c(cc1O2)-c1ccccc1C31c2ccccc2-c2cc([*:3])c([*:4])cc21;2->1;2->3;4->3,3.1903278245,3.624245094,3.13764078775,2.52810482025,3.87225211325,2.66331895875
115,<polymer_spg>[*:1]CC(O)COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(O[*:2])c(Cl)c2)cc1Cl;2->1,-0.3026544785,-0.37008541,-1.6128954845,-2.385619007,-1.0246268735,-2.428987472
265,<polymer_spg>[*:1]Oc1ccc(C(=C(Cl)Cl)c2ccc(OC([*:2])=O)cc2)cc1;2->1,1.113943352,1.113943352,0.113943352,-0.585026652,0.875061263,-0.522878745
72,<polymer_spg>[*:1]C1CCCCC1[*:2];2->1,4.464118385,4.964480725,4.785329835,4.301029996,5.40756816,4.594135938
25,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)CC2(C)C)c1ccc(F)c(F)c1;2->1,4.250420002,4.565847819,4.271841607,4.220108088,4.645422269,4.544068044
165,<polymer_spg>[*:1]CC1CC([*:2])OC(CCC)O1;2->1,0.8242652393333333,0.8929872836666667,-0.0848262776666666,-0.745470273,0.5097664776666667,-0.6947252513333333
337,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C(C)C)c4)c4ccccc4-c4ccccc43)cc1C(C)C)C2=O;2->1,1.776657923,1.971456899,1.225309282,0.664865371,1.845076768,0.80836214
174,<polymer_spg>[*:1]CCCCCCCCCCCC(=O)N[*:2];2->1,-0.514420523,-1.267622325,-1.597394758,-2.691456928,-2.39184852,-2.714459341
339,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)c4ccccc4-c4ccccc43)cc1)C2=O;2->1,1.661546892,1.841828783,1.068185862,0.495990121,1.686209565,0.629142005
39,<polymer_spg>[*:1]C(=C([*:2])c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccccc1;2->1,3.47604315875,3.84918840875,3.5681966605,3.39219054725,4.09314700025,3.79249105975
193,<polymer_spg>[*:1]CCc1ccc([*:2])c(C#N)c1;2->1,0.247760863,0.247734884,-1.0476394375,-1.8325334605,-0.5214831639999999,-1.9651012755
314,<polymer_spg>[*:1]c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C5([*:2])OC(=O)c6ccccc65)cc4)cc3)cc2)cc1;2->1,0.77815125,1.255272505,0.0,-0.769551079,0.698970004,-0.853871964
88,<polymer_spg>[*:1]CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([*:2])C3=O)cc1;2->1,0.079181246,0.183151774,-0.852642775,-1.516409745,-0.113509275,-1.375911447
70,<polymer_spg>[*:1]C1C([*:2])C2CC1C1CC([Si](C)(C)C)C21;2->1,2.968482949,3.31386722,2.995635195,2.591064607,3.72427587,3.004321374
87,<polymer_spg>[*:1]CC(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N([*:2])C4=O)cc2)cc1;2->1,0.079181246,0.106649287,-0.998236835,-1.704716864,-0.356547324,-1.656931679
292,<polymer_spg>[*:1]c1cc(CCCCCC)c([*:2])s1;2->1,1.877980604,2.085557764,1.36361198,0.813512229,1.984914372,0.966114742
242,<polymer_spg>[*:1]Oc1c(C#N)c2c(c(C#N)c1O[*:2])Oc1cc3c(cc1O2)-c1ccccc1C31c2cc([*:3])c([*:4])cc2-c2cc(C)c(C)cc21;2->1;2->3;4->3,3.1992451725,3.632411272,3.1222993505,2.503012553,3.8615841185,2.6689730985
277,<polymer_spg>[*:1]Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C(C)C)cc(C(C)(C)c4cc(C(C)C)c([*:2])c(C(C)C)c4)cc3C(C)C)cc2)cc1;2->1,2.041392685,2.199316864,1.450641729,0.877589721,1.991226076,0.959704238
211,<polymer_spg>[*:1]N=P(N=P(N=S([*:2])(=O)NCC)(NCC)NCC)(NCC)NCC;2->1,1.071070156,1.176884806,0.262201208,-0.370277043,0.871279958,-0.290190574
9,<polymer_spg>[*:1]C(=C([*:2])c1ccc(C[Si](C)(C)C)cc1)c1ccccc1;2->1,2.380211242,2.62324929,2.146128036,1.643452676,2.806179974,2.079181246
195,<polymer_spg>[*:1]CCc1ccc([*:2])c(CC)c1;2->1,0.621285928,0.633141662,-0.301591606,-1.0476394375,0.275347645,-0.980673302
251,<polymer_spg>[*:1]Oc1cc2c(cc1O[*:2])C(=O)N(c1c(C)c(C)c(-n3c(=O)c4cc5oc6cc7c(cc6oc5cc4c3=O)C3(C(C)C)c4ccccc4C7(C(C)C)c4cc([*:3])c([*:4])cc43)c(C)c1C)C2=O;2->1;2->3;4->3,3.156261104,3.535420718,2.733999287,1.941610802,3.328563143,1.922621672
323,<polymer_spg>[*:1]c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3ccccc3)(c3cc(C)c(N4C(=O)c5ccc(C([*:2])(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)C(F)(F)F)cc1C)C2=O;2->1,1.909430463,2.120973883,1.40654018,0.859651185,2.028318997,1.015080058
192,<polymer_spg>[*:1]CCc1ccc([*:2])c(Br)c1;2->1,-0.0465867295,-0.347723327,-1.6269098465,-3.1665004695,-1.4508185875,-3.529772589
117,<polymer_spg>[*:1]CC(O)COc1ccc(C(C)(C)c2ccc(O[*:2])cc2)cc1;2->1,-0.1546836845,-0.275983048,-1.509091329,-2.299344462,-1.1192151565,-2.4166368255
47,<polymer_spg>[*:1]C(=C([*:2])c1ccccc1)c1ccccc1;2->1,3.089843507,3.43929093,3.079181246,2.86923172,3.62324929,3.180122092
172,<polymer_spg>[*:1]CCCCCC(=O)O[*:2];2->1,1.170194869,1.3368772635,0.6978370195,0.1590439285,1.5290160805000002,0.378174425