diff --git "a/simson_modeling/kaggle_comp/train.csv" "b/simson_modeling/kaggle_comp/train.csv"
new file mode 100644--- /dev/null
+++ "b/simson_modeling/kaggle_comp/train.csv"
@@ -0,0 +1,7974 @@
+id,SMILES,Tg,FFV,Tc,Density,Rg
+87817,*CC(*)c1ccccc1C(=O)OCCCCCC,,0.37464529,0.2056666666666666,,
+106919,*Nc1ccc([C@H](CCC)c2ccc(C3(c4ccc([C@@H](CCC)c5ccc(N*)cc5)cc4)CCC(CCCCC)CC3)cc2)cc1,,0.3704102,,,
+388772,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(C=C9CCCC(=Cc%10ccc(*)cc%10)C9=O)cc8)cc7)cc6)cc5)CCCCC4)cc3)cc2)cc1,,0.37885964,,,
+519416,*Nc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(N*)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1,,0.3873239,,,
+539187,*Oc1ccc(OC(=O)c2cc(OCCCCCCCCCOCC3CCCN3c3ccc([N+](=O)[O-])cc3)c(C(*)=O)cc2OCCCCCCCCCOCC2CCCN2c2ccc([N+](=O)[O-])cc2)cc1,,0.35547017,,,
+950661,*OC(=O)CCCCCCCCC(=O)OC1COC2C(*)COC12,,0.33909279,,,
+1012066,*Nc1ccc([C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1N*,,0.3476159,,,
+1022104,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C7(c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)CC8CC7C7CCCC87)cc6)cc4)C5=O)cc3)c(C(C)(C)C)c2)cc1,,0.37754464,,,
+1722264,*CC(*)(C)C(=O)OCCCCCCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.35917558,,,
+2265305,*Nc1ccc(-c2ccc(-c3ccc(N*)cc3)cc2)cc1,,0.341878125,,,
+2986007,*c1ccc(-c2ccc3c(c2)C(CCCCCCC#N)(CCCCCCC#N)c2cc(*)ccc2-3)cc1,,0.40239665,0.487,0.901122805,28.6824407
+3013292,*CC(*)c1ccc(C(=O)O)c(C(=O)O)c1,,,0.171,1.184354013,13.53424751
+3053950,*c1cccc(N2C(=O)c3ccc(Oc4ccc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5c4)cc3C2=O)c1,,0.36481552,,,
+3128201,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccc(Cc4ccc(C(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.36956078,,,
+3139746,*CCOCCOC(=O)c1ccc(C(=O)O*)cc1,,0.3314918,,,
+3254580,*Nc1ccc(CCc2ccc(N*)c(C)c2)c(C)c1,,0.34991627,,,
+4600132,*Nc1ccc(-c2ccc(N*)cc2)cc1,,0.33687015,,,
+4658296,*Nc1ccc(C(c2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,,0.36326495,,,
+4834929,*Nc1ccc2c(c1)[C@H]1CC[C@@H]2c2cc(N*)ccc21,,0.36594162,,,
+5118841,*C(=O)c1ccc(N(*)CCCCCCCC)cc1,,0.40101187,,,
+5350166,*CC(C)(COC(=O)NCCCCCCNC(=O)O*)C(=O)O,,0.31898697,,,
+5650517,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCC)cc1,,0.33573247,,,
+5661484,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5nc(-c6ccccn6)nnc5*)cc4)cc3)cc2)cc1,,0.38715626,,,
+5709902,*Nc1ccc(NC(=O)CCCCCCC(*)=O)cc1,,0.33579028,,,
+5724071,*NC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cccc(*)n3)cc2)cc1,,0.33930299,,,
+5857263,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.36614256,,,
+5905810,*Cc1c(C)c(C)c(CNC(=O)CCCCCC(C)CC(=O)N*)c(C)c1C,,0.34722767,,,
+5966923,*c1cc(CCOC(=O)NCCCC)c(*)s1,,0.36941899,,,
+6019988,*CCC(C)C(C)CCNC(=O)c1cccc(C(=O)N*)c1,,0.3407009,,,
+6102563,*C(=O)OCCOCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.32926001,,,
+6259923,*NC1=C(c2ccc(O)cc2OC)[C@@H](N*)c2c(N)ccc(N)c21,,0.32877014,,,
+6645418,*CCCCCNC(=O)CCCCC(=O)N*,,0.3327408,0.327,,
+6665789,*Nc1cccc(C=Cc2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)c1,,0.35017075,,,
+7586800,*C(=O)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(-c7sc(-c8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)c(-c8ccccc8)c7-c7ccccc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.38518992,,,
+7687820,*CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)N*,,,0.383,,
+8689461,*CC(*)CCCCCCCCCCCCCCCC,,0.40787312,0.375,,
+8973725,*CC(*)CC(C)(C)CC,,,0.1863333333333333,,
+9231170,*CC(*)CC,,,0.2253333333333333,,13.87291346
+9284896,*O[Si](C)(C)CCCNC(=O)C(=O)NCCC[Si](*)(C)C,,0.38708542,,,
+10061985,*CCCCCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.3487648,,,
+10142210,*NC(C)C(=O)NCC(=O)NCC(*)=O,208.6397491,,,,
+10557152,*C(C)=C(*)[Ge](C)(C)C,,0.39996108,,,
+11301237,*c1ccc(Oc2ccc(-c3nc4ccc(Oc5ccc(N6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc%11nc(*)c(-c%12ccccc%12)nc%11c%10)cc8)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4nc3-c3ccccc3)cc2)cc1,,0.40256926,,,
+11664621,*OC(COC(*)=O)COC(C)C,,0.35338284,,,
+11667291,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(C(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)cc1)C2=O,,0.38083463,,,
+11796436,*Nc1cc2c(c(-c3ccccc3)c1N*)[C@@H](c1ccccc1)c1ccccc1-2,,0.37078536,,,
+11894206,*CC(*)C(=O)Oc1ccccc1C,,0.35783052,0.1735,1.061864136,12.7374634
+11955349,*C(=Nc1ccccc1)c1ccc(-c2ccc(*)cc2)cc1,,0.39901234,,,
+12008966,*CC(*)c1ccc(C(C)(C)C)cc1,,,0.184,,
+12265790,*CC(*)C(=O)OC(C)C,,0.36594213,,,
+12381586,*CC(*)C(=O)OCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.35839221,,,
+12395811,*C(=Cc1cc(OC)c(C=C(c2ccc(*)cc2)c2ccc(OC)cc2)cc1OC)c1ccc(OC)cc1,,0.37715059,,,
+12627006,*c1ccc(OCCN(CC)c2ccc(C(C#N)=C(C#N)C#N)cc2)c(-c2cc(-c3ccccc3)c3cc(Oc4ccc5nc(*)cc(-c6ccccc6)c5c4)ccc3n2)c1,,0.39541698,,,
+12724819,*C=Cc1ccc2c(c1)Sc1cc(-c3ccc4c(c3)Sc3cc(*)ccc3N4c3ccc(OCCCCCCCCCCCC)cc3)ccc1N2c1ccc(OCCCCCCCCCCCC)cc1,,0.400601,,,
+13021733,*O[Si](*)(CCCOCCOCCOCCOCCOC)CCCOCCOCCOCCOCCOC,,0.36551909,,,
+13364814,*CCCP(C)(=O)CCCNC(=O)CCCCC(=O)N*,,0.33815952,,,
+13630833,*c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O,,0.42131241,,,
+13838538,*CCCCCCSSCCCCSS*,-41.26672381,,0.192,,
+13850404,*OC(=O)OCC(O)C(O)COC(=O)OC1COC2C(*)COC12,,0.29768641,,,
+13874722,*CCCCCOCO*,,0.36424093,,,
+15891916,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6nc(-c7cccc(-c8nc(*)c(-c9ccccc9)[nH]8)c7)[nH]c6-c6ccccc6)cc5)cc4)c3)cc2)cc1,,0.39177495,,,
+15979280,*Oc1ccc(NC(=O)c2cc(NC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cc(C(=O)Nc3ccc(*)cc3)c2)cc1,,0.33547772,,,
+16364869,*c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc(C(F)(F)F)c1)C2=O,,0.39841654,,,
+16498242,*C=CCCCCCCCC*,-17.2820223,,,,
+16855553,*CC(*)C(=O)Oc1ccccc1,,0.3539411,0.196,1.109388621,13.43533854
+17114758,*Oc1ccc(Cc2ccc(OC(=O)c3ccc(C(C)(C)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.36534872,,,
+17899555,*C=C(*)c1ccc(-n2c(=O)c3cc4c(=O)n(-c5ccc(C#C)cc5)c(=O)c4cc3c2=O)cc1,,0.37446752,,,
+17943713,*c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(OCCCCCCOc3ccc(/C=C/c4ccc(F)cc4)cc3)c2)cc1OCCCCCCOc1ccc(/C=C/c2ccc(F)cc2)cc1,,0.36214283,,,
+18227797,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.35827772,,,
+18308835,*O[Si](C)(C)c1ccc2ccc([Si](*)(C)C)cc2c1,,0.41603966,,,
+18339242,*CC(*)C(=O)OC([2H])([2H])[2H],,0.32713966,,,
+18520951,*CC(C)(C)C1C(=O)N(c2c(C)cccc2C)C(=O)C1*,,0.36567807,,,
+18696710,*CC(O)COc1c(C)cc(S(=O)(=O)c2cc(C)c(O*)c(C)c2)cc1C,,0.36816578,,,
+19277692,*c1ccc(Oc2ccc(-c3cnc4ccc(Oc5ccc6nc(*)cnc6c5)cc4n3)cc2)cc1,,0.39336683,,,
+19303052,*CC(*)(C)C(=O)OCc1cc(Cl)ccc1Cl,,0.36119278,,,
+19522327,*CC(*)OC(=O)c1cccc(Br)c1,,0.37722551,,,
+20039468,*Oc1ccc(-c2ccc(-c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)cc3)cc2)cc1,,0.36836692,,,
+20273521,*CC(CN1C(=O)C2C3C=CC(C3)C2C1=O)O*,,0.34392035,,,
+20627281,*Nc1cc2ccccc2c(-c2cccc3ccccc23)c1N*,,0.35509262,,,
+20883601,*Cc1cc(C)c(CNC(=O)c2ccc(C(=O)N*)cc2)cc1C,,0.33875515,,,
+21279513,*Oc1ccc(C2(c3ccc(OC4(F)C(*)(F)C(F)(F)C4(F)F)cc3)c3ccccc3-c3ccccc32)cc1,,0.38927007,,,
+21520341,*C(=O)Nc1ccc(C2(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CCC(C)CC2)cc1,,0.37589597,,,
+22184710,*CC(*)c1ccc(C(=O)OCCC)cc1,,0.37674615,,,
+22597605,*c1ccc(Oc2ccc(-c3nc4cc(-c5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,0.41714937,,,
+22905078,*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32506583,,,
+22928574,*O[Sn](CCCC)(CCCC)OC(=O)/C=C/C(*)=O,,0.35027613,,,
+22953969,*Oc1ccc(-c2ccc(OC(=O)CCCCCCCCCCCCC(*)=O)cc2)cc1,,0.35595348,,,
+23036398,*c1ccc(S(=O)(=O)c2ccc(N3C(=O)C(C)C(SCCOCCSC4C(=O)N(c5ccc(S(=O)(=O)c6ccc(N7C(=O)CC(C)(SCCOCCSC8(C)CC(=O)N(*)C8=O)C7=O)cc6)cc5)C(=O)C4C)C3=O)cc2)cc1,,0.34421859,,,
+23192453,*CC(C)S(*)(=O)=O,,,,1.293314518,20.99132259
+23694396,*N=P(*)(Cl)Cl,,0.34644364,,,
+23713841,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.36615689,,,
+24351648,*Nc1ccc(C2(c3ccc(N*)cc3)C=CCCC2)cc1,,0.34884686,,,
+24969052,*CCCCCOC(=O)c1cccc(C(=O)O*)c1,,0.34539931,,,
+24982830,*c1ccc(NC(=O)CN2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(CC(=O)Nc4ccc(-c6nnc(*)o6)cc4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1,,0.35544781,,,
+25581268,*c1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.37886829,,,
+25596707,*c1ccc(Oc2ccc(N3C(=O)c4cc(-c5ccc([Si](C)(C)C)cc5)c(-c5cc6c(cc5-c5ccc([Si](C)(C)C)cc5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.42813779,,,
+25599707,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5nc(-c6cccc(-c7nc(*)c(-c8ccccc8)[nH]7)c6)[nH]c5-c5ccccc5)cc4)cc3)cc2)cc1,,0.40187067,,,
+25748429,*c1ccc(Cc2ccc(N3C(=O)C4CCC5C(=O)N(*)C(=O)C5C4C3=O)c(C)c2)cc1C,,0.38793304,,,
+26299008,*CC(*)c1cc(C(C)C)ccc1C(C)C,,,0.1616666666666666,0.830463672,11.48207818
+26367456,*Nc1ccc(C[C@](CC)(CCC)c2ccc(N)c(C[C@](C=C)(CC)c3ccc(N*)cc3)c2)cc1,,0.35808156,,,
+26995134,*Nc1ccc(/C=C/c2ccc(N*)cc2)cc1,,0.34415534,,,
+28121925,*c1ccc(C(c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.39361972,,,
+28200504,*CCOC(=O)NCCCCCCNC(=O)O*,,0.32916214,,,
+28479659,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(-c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c2)cc1,,0.36156161,,,
+29482987,*C(=C(*)c1ccc(Oc2ccccc2)cc1)c1ccccc1,,0.40046864,,,
+29766304,*CC(*)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1,,0.35600022,,,
+29881762,*CCCCCCN1C(=O)C(=O)N(*)C1=O,,0.31655437,,,
+29928066,*CC(*)(C)C(=O)OCCn1c2ccccc2c2ccccc21,,0.35181885,,,
+30582999,*CCCCCCCCCCOC(=O)c1ccc(C(=O)NCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,4.250402609,,,,
+30682090,*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5ccc6cc(Oc7ccc8c(c7)C(=O)N(*)C8=O)ccc6c5)cc4C3=O)cc2)cc1,,0.38208553,,,
+31430153,*OC(COC(=O)Nc1ccc(Cc2ccc(NC(*)=O)cc2)cc1)c1ccco1,,0.34289328,,,
+31529134,*C(=O)Nc1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)c1,,0.33798245,,,
+31841016,*CC(*)(C)C(=O)OCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,,0.41138901,,,
+32316139,*CCN(*)C(=O)c1cc(F)cc(F)c1F,,0.33952456,,,
+32586958,*NC(N*)=C(N)/C(N)=N/C,,0.29714034,,,
+34026248,*Nc1ccc(Cc2ccc(NC(=O)c3ccc(P(=O)(c4ccccc4)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.36719294,,,
+34042817,*CCCCCCOC(=O)c1cccc(C(=O)O*)c1,,0.34938247,,,
+34234994,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(Oc4ccc(C(c5ccc(Oc6ccc(NC(=O)c7cccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)c7)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)c1)C2=O,,0.36162895,,,
+34546505,*Oc1cccc(Oc2ccc(C(=O)c3ccc(P(=O)(c4ccccc4)c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)c1,,0.37794539,,,
+35288312,*c1ccc(C=Nc2ccc(C(c3ccccc3)c3ccc(N=Cc4ccc(-c5ccc(*)s5)cc4)cc3)cc2)cc1,,0.40126347,,,
+35380876,*c1ccc(Oc2ccc(-n3c(=O)c4cc5c(=O)n(-c6ccc(Oc7ccc(-c8nc9cc%10sc(*)nc%10cc9s8)cc7)cc6)c(=O)c5cc4c3=O)cc2)cc1,,0.422749,,,
+35399593,*N=P(*)(Oc1ccc(C)cc1)Oc1ccc(C)cc1,,0.39264145,,,
+35822036,*CC1(C)CC(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)CC(C)(C)C1,,0.36993749,,,
+36217683,*c1nc2cc3sc(-c4cc(OCCCCCC)c(*)cc4OCCCCCC)nc3cc2s1,168.5263131,,,,
+36780446,*Oc1cc(CCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.36080704,,,
+37511814,*Nc1ccc2c(c1)c1ccccc1c1c(-c3ccc(CCCCC)cc3)c(N*)c(-c3ccc(CCCCC)cc3)cc21,,0.36461838,,,
+37571918,*Nc1cc2ccc3ccc4c(N*)cc5ccc6ccc1c1c6c5c4c3c21,,0.33562005,,,
+37623475,*Nc1ccc(-c2ccc(N*)c(-c3cccc(C)c3)c2-c2cccc(C)c2)cc1,,0.37320004,,,
+37727451,*C(=O)Nc1ccc(C)cc1N1C(=O)CC(N2C(=O)c3ccc(*)cc3C2=O)C1=O,,0.34915334,,,
+38112797,*Nc1cc(C2CCCCC2)c2ccc3c(N*)c(-c4ccccc4)c(C4CCCCC4)c4c(-c5ccccc5)cc1c2c34,,0.39389056,,,
+38228922,*C(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(-c4cc(-c5nc6cc(*)ccc6[nH]5)cc(N5C(=O)c6ccccc6C5=O)c4)nc3c2)n1,,0.36599842,,,
+38242048,*/C(F)=C(\F)C(F)(C(*)(F)F)C(F)(F)F,,,0.102,,
+39109326,*CCN(CCOC(=O)NCC1(C)CC(NC(=O)O*)CC(C)(C)C1)c1ccc(N=Nc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1,,0.36633956,,,
+40088405,*c1ccc(C(c2ccccc2)c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.39645555,,,
+40146140,*C(=O)Nc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(-c4nc5ccccc5o4)cc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc(-c2nc3ccccc3[nH]2)c1,,0.37477933,,,
+40417262,*Nc1ccc(Oc2cccc(N*)c2)cc1,,0.33227609,,,
+40655089,*C(=O)Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36114325,,,
+40953121,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(C)c(N8C(=O)c9ccc(*)cc9C8=O)c6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.37070669,,,
+41386383,*CCCCCC(*)CCCCCC,,0.40628619,,0.797183169,16.82724961
+41421570,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)cc5)n4)cc3)cc1)C2=O,,0.36563224,,,
+41644742,*Oc1ccc(OC(=O)c2cc(OCCCCOCC3CCCN3c3ccc([N+](=O)[O-])cc3)c(C(*)=O)cc2OCCCCOCC2CCCN2c2ccc([N+](=O)[O-])cc2)cc1,,0.34909461,,,
+41684723,*Oc1ccc(-c2cc(OCCCCCC)c(-c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)cc2OCCCCCC)cc1,81.55306128,,,,
+41977066,*CC(*)(C)C(=O)NC(=O)Oc1c(Br)cc(S(=O)(=O)c2cc(Br)c(O)c(Br)c2)cc1Br,,0.37549639,0.109,,
+42779237,*c1cccc(OCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCOc2cccc(-c3nnc(*)s3)c2)c1,35.51374296,,,,
+43489811,*CCCNC(=O)c1ccc(C(=O)NCCCO*)cc1,,0.32981777,,,
+43517583,*CC(*)c1ccc(C)c(C)c1,,,0.1905,,
+44130721,*Oc1ccc(OC(=O)c2cccc(Sc3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(Sc6cccc(C(*)=O)c6)cc5)cc4)cc3)c2)cc1C,,0.35931108,,,
+44332410,*CC(*)CCCCCCC,,0.40501273,0.2669999999999999,0.7966448,10.79657738
+45108843,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,,0.36246435,,,
+45704443,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(c5ccc(C(=O)c6ccc(*)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2)cc1,,0.3798743,,,
+45818224,*OC(F)(F)C(F)(F)C(*)(F)F,,0.2987695,,,
+45908417,*C(=O)c1cccc(C(=O)N(*)c2ccccc2)c1,,0.38456711,,,
+46067784,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CCCC,,0.3630391,,,
+46369100,*Nc1ccccc1C(C)(c1ccccc1N)c1ccccc1N*,,0.35719832,,,
+46473006,*C=CC1CC(*)C(C#N)(CCC)C1,,0.39981874,,,
+46656995,*CC(*)CCCN(CC(C)C)CC(C)C,,,0.201,0.817146131,9.7283551
+47046176,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)c7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36207286,,,
+48005195,*C=Nc1cccc(N=Cc2ccc(Sc3ccc(*)o3)o2)c1,122.5813993,,,,
+48202315,*c1ccc(Oc2ccc(Oc3ccc(P(=O)(c4ccccc4)c4ccc(Oc5ccc(Oc6ccc(-c7nc8cc9sc(*)nc9cc8s7)cc6)cc5)cc4)cc3)cc2)cc1,,0.40182864,,,
+48308812,*CCCCCCNC(=O)C(=O)N*,,0.3220757,,,
+48554956,*c1ccc(NC=Nc2ccc(S(*)(=O)=O)cc2)cc1,,0.39082082,,,
+48717962,*Nc1ccc([C@](C)(c2ccccc2)c2cccc(N*)c2)cc1,,0.35081859,,,
+49062920,*CCOCCOCCOC(=O)c1cc(N=Nc2ccc(OCC)cc2)ccc1-c1ccc(N=Nc2ccc(OCC)cc2)cc1C(=O)O*,,0.36389929,,,
+49325830,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)Cc1cc(N4C(=O)c5ccc(*)cc5C4=O)ccc1-3)C2=O,,0.38603498,,,
+49367014,*Oc1cccc(C(=O)c2ccc(*)cc2)c1,,0.36502137,,,
+49737348,*c1ccc2c(c1)c1cc(*)ccc1n2CC,206.6525359,,,,
+49886836,*Oc1ccc(C2(c3ccc(Oc4c(F)c(F)c(C(=O)c5c(F)c(F)c(*)c(F)c5F)c(F)c4F)cc3)c3ccccc3-c3ccccc32)cc1,,0.39033829,,,
+50053709,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4C(F)(F)F)cc3)c1)C2=O,,0.37058659,,,
+50438012,*CCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,,,0.315,,
+51223278,*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,0.3563254,,,
+51367162,*C(=O)c1ccc2c(c1)C(=O)N(C1CCC(CC3CCC(N4C(=O)c5ccc(*)cc5C4=O)C(C)C3)CC1C)C2=O,,0.38365388,,,
+51939851,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccccc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38673273,,,
+51976096,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CC(C)CCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.35062977,,,
+52181246,*=C=C=C(COS(=O)(=O)c1ccc(OC)cc1)C(=*)COS(=O)(=O)c1ccc(OC)cc1,55.30555285,,,,
+52357313,*c1ccc(-c2ccc(C(*)(c3ccccc3)C(F)(F)F)cc2)cc1,,,0.233,1.06572076,19.28801766
+52649125,*Oc1ccc(N=CCCCC=Nc2ccc(OC(=O)NC3CC(C)(C)CC(C)(CNC(*)=O)C3)cc2)cc1,,0.35087282,,,
+52868719,*CC(*)C(=O)OCCSCCCC#N,,0.38452978,0.18,1.085387972,12.35091595
+53248904,*CCCCCCCCCCn1c(=O)c2cc3c(=O)n(*)c(=O)c3c(Br)c2c1=O,137.1087261,,,,
+53311142,*CCOC(=O)CC(C)O*,,0.33475958,,,
+53548350,*Nc1ccc(-c2ccc(N*)c3c2CCCC3)cc1,,0.35475566,,,
+53844809,*CC(*)(C)C(=O)OCCCCCCCC[n+]1ccc(N(C)C)cc1,,0.36783355,,,
+53951865,*Nc1c(O)c(N)c(N)c(O)c1N*,,0.31749993,,,
+54084083,*CC(*)CCCCC,,,0.2583999999999999,0.771934125,12.37609961
+54206705,*C=C(*)C(CCCCCCC)[Si](C)(C)C,,0.41060554,,,
+54625460,*c1cccc(NC(=O)c2ccc(OCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)c1,,0.35047536,,,
+55326263,*C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5sc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)c(-c6ccccc6)c5-c5ccccc5)cc3)C4=O)c2)c1,,0.38854979,,,
+55400154,*c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C(C)(C)C)c2)cc1C(C)(C)C,,0.40159385,,,
+55701750,*CC(*)SCC,,0.43094205,,,
+55715472,*Nc1ccc(Cc2ccc(NC(=O)c3cc(NC(=O)c4ccncc4)cc(C(*)=O)c3)cc2)cc1,,0.34502809,,,
+55938751,*N=P(*)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1,,0.39730375,,,
+56235690,*Oc1ccc(C2(c3ccc(Oc4ccc5c(=O)n6c7cc(-c8ccc9c(c8)nc8c%10ccc(*)c%11cccc(c(=O)n98)c%11%10)ccc7nc6c6cccc4c56)cc3)c3ccccc3C(=O)c3ccccc32)cc1,,0.39530481,,,
+56319655,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4cc(C(=O)Nc5ccc(*)cc5)cc(C(C)(C)C)c4)cc3)cc12,,0.36260258,,,
+56734204,*CC(*)(C)C(=O)OC1CCCCC1,,,0.2239999999999999,0.91386168,10.8595327
+56881469,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.38067611,,,
+57070808,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5sc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)c(-c6ccccc6)c5-c5ccccc5)cc3)C4=O)cc2)cc1,,0.38843318,,,
+57222914,*Nc1ccc(C2(c3ccc(N*)cc3)C3=CCC=CC3=Cc3ccccc32)cc1,,0.36488932,,,
+57727191,*CCCCCCNC(=O)CC/C=C/CCC(=O)N*,,,0.278,,
+57989832,*OC(COC(*)=O)COc1ccccc1,,0.33796381,,,
+58312031,*C(=O)c1ccc(C(=O)N(*)c2ccccc2)c(Sc2ccccc2)c1,,0.3849002,,,
+58492814,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)cc1)C2=O,,0.37263667,,,
+59233337,*c1cc(N2C(=O)c3ccc(Oc4cc5ccccc5cc4Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc(C(F)(F)F)c1,,0.37041296,,,
+59411967,*c1ccc(Oc2cc(C(C)(C)C)ccc2Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37867118,,,
+59671897,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.37897847,,,
+59967073,*Nc1cccc(NC(=O)CCCCC(*)=O)c1,,0.32263599,,,
+60015302,*CCCCOC(=O)OCC1CCC(COC(=O)O*)CC1,,0.33756711,,,
+60029399,*Oc1ccc(Oc2ccc(C(=O)c3ccccc3)c(-c3cc(*)ccc3C(=O)c3ccccc3)c2)cc1,,0.37726196,,,
+60738401,*CCC[Si](*)(C)O[Si](C)(C)CCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1,,0.38354504,,,
+60763059,*c1ccc(-c2cnc3ccc(S(=O)(=O)c4ccc5ncc(*)nc5c4)cc3n2)cc1,,0.4054389,,,
+60840755,*CC(*)c1ccc(OC(C)=O)c(OC)c1,,0.349142,,,
+61414691,*OC(CCC)COC(*)=O,,0.35170263,,,
+61470142,*Oc1ccc(Sc2ccc(Oc3ccc(-c4ccc(-c5ccc(-c6ccc(*)c(C(F)(F)F)c6)cc5)cc4)cc3C(F)(F)F)cc2)cc1,,0.37984577,,,
+61636599,*Nc1ccc(-c2ccc(N*)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1,,0.37033233,,,
+61782925,*CC(*)C(=O)OC(OCC)C(F)(F)F,,0.35306137,,,
+61915107,*c1ccc2c(c1)C(=O)N(c1cc(C)c(-c3c(C)cc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3C)c(C)c1)C2=O,,0.43074666,,,
+62163979,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccc(C(C#N)=C(C#N)C#N)cc3)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O)c1ccc(N=Nc2ccc(C(C#N)=C(C#N)C#N)cc2)cc1,,0.37162023,,,
+62269402,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(Cc4cc(C)c(*)c(C)c4)cc3C)cc2)cc1,,0.3923948,,1.073138282,20.42938322
+62619308,*CC(*)(C)C(=O)OC(C)(C)C,,,0.1525,0.826660163,12.18535631
+62619449,*Oc1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(OC(=O)c5cccc(C(*)=O)c5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.347323,,,
+63090033,*CC(*)OC(=O)c1ccc(Cl)cc1,,0.36499516,,,
+63333676,*CCCN(Cc1ccccc1)C(=O)S*,,0.36838082,,,
+63397318,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1S(=O)(=O)O,,0.36684049,,,
+63969847,*CCCCCc1nc2cc3sc(*)nc3cc2s1,87.36313445,,,,
+64606581,*CC1CCC(*)C1,42.35931484,,0.3353333333333333,0.892956655,21.77794424
+64725995,*Nc1c([C@H](C)CC)cc(C2(c3cc([C@H](C)CC)c(N*)c([C@H](C)CC)c3)c3ccccc3-c3ccccc32)cc1[C@H](C)CC,,0.41165064,,,
+65098291,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccccc6Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1,,0.36614027,,,
+66059501,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccccc5Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4)cc3)cc12,,0.35799579,,,
+66287866,*Oc1ccc(C(c2ccccc2)c2ccc(OC(*)=S)cc2)cc1,,0.36796394,,,
+66714118,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.36875438,,,
+66764672,*C=CC1CC(*)C(C#N)(C[Si](C)(C)O[Si](C)(C)C)C1,,0.43283262,,,
+66797597,*Nc1ccc(-c2ccc(C(=Cc3ccccc3)c3ccc(-c4ccc(N*)cc4)cc3)cc2)cc1,,0.36634183,,,
+67251636,*OC(=O)C(C)NC(=O)CCCCCCCCCCC(=O)NC(C)C(=O)OC1COC2C(*)COC12,,0.34210323,,,
+67510171,*C=C(*)c1c(F)c(F)c(CCCC)c(F)c1F,,0.41251953,,,
+67637672,*C=CC1CC(*)C2C(=O)N(c3ccccc3Cl)C(=O)C12,,0.39149217,,,
+67701587,*Oc1ccc(C(CC)(c2ccccc2)c2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)cc1,,0.36176424,,,
+67919894,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.37844588,,1.144330703,21.53470493
+68067670,*Nc1ccc(C2(c3ccc(NC(=O)c4ccc(-c5ccc(C(*)=O)c(C)c5)cc4C)cc3)c3ccccc3-c3ccccc32)cc1,,0.38008517,,,
+68287641,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3-c3cccc4ccccc34)c2-c2ccccc2-c2cccc3ccccc23)cc1,,0.36814299,,,
+68342514,*CC(*)(C)C(=O)OCCN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.35608042,,,
+68581387,*CCCCc1nc(-c2ccc(-c3csc(*)n3)cc2)cs1,110.5188915,,,,
+68792546,*CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCO*,,,0.3565,0.939635943,24.65708372
+68905066,*Nc1ccc(CC(C)(C)NC(=O)c2ccc(C(*)=O)cc2)cc1,,0.34949792,,,
+69087168,*Nc1ccc(-c2cccc(C[C@@H](C)c3ccc(N*)cc3)c2)cc1,,0.35001333,,,
+69121777,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(C(=O)Nc4ccc(O*)cc4)cc3)cc2)cc1,,0.34123375,,,
+69694252,*CCOC(=O)CCCCCC(=O)O*,,0.3344037,,,
+70273581,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1-c1ccccc1,65.88587862,,,,
+70329705,*CC(COC(F)(C(F)(F)F)C(F)(F)F)O*,,0.33503076,,,
+70414190,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.34508223,,,
+71102106,*/C=C/c1ccc(*)cc1,43.3930774,,,1.006135387,25.25187791
+71135797,*CCCCCCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34204989,,,
+71203158,*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.3625688,,,
+71861682,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(C(=O)c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)cc3)cc1)C2=O,,0.36767673,,,
+72083210,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.341417,,,
+72192148,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.38538463,,,
+72343609,*c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(-c3nc4ccccc4nc3*)cc2)cc1,,0.36004959,,,
+72459734,*OC1C(COCO)OC(*)C(O)C1O,,0.29530816,,,
+72780876,*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C5(c6ccc(*)cc6)CC6CCC5C6)cc4)cc3)cc2)cc1,,0.36666266,,,
+73164224,*Nc1cc(N*)c(O)cc1O,,0.30277596,,,
+73437424,*c1ccc(Sc2ccc(S(*)(=O)=O)cc2)cc1,,0.38393848,,,
+73489735,*CCN(*)C(=O)c1c(F)c(F)c(F)c(F)c1F,,0.33673412,,,
+74066581,*Oc1ccc2ccc(OC(=O)c3ccc(Oc4ccc(C(*)=O)cc4)cc3)cc2c1,,0.34864845,,,
+74313131,*OC(COC(=O)c1cccc(-c2ccc(C(*)=O)cc2)c1)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35765237,,,
+74688893,*CC(*)(CC(=O)OCCCCC)C(=O)OCCCCC,,0.38050025,0.215,0.955743343,10.24635518
+74865291,*OC(=O)OCCOCCOC(=O)OC1COC2C(*)COC12,,0.31603172,,,
+75135470,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(N=Nc3ccc(C#N)cc3)c3ccccc23)cc1,,0.35826873,,,
+75252869,*O[Si](*)(C)CCCCCCn1c2ccccc2c2ccccc21,,0.37569363,,,
+75381552,*c1ccc(Oc2ccc(N3C(=O)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5cc6c(cc5-c5ccc(C(C)(C)C)cc5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.40978294,,,
+75443529,*CCCCCCCOc1ccc(C=C(C)c2ccc(O*)cc2)cc1,36.76976951,,,,
+75466481,*Nc1c(N*)c2cccc3ccc4cccc1c4c32,,0.34202194,,,
+75536580,*Oc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(C6(c7ccc(*)cc7)C7CC8CC(C7)CC6C8)cc5)cc4)cc3)cc2)cc1,,0.36857397,,,
+75538162,*Nc1ccc([C@H]2SC=C(c3ccccc3)[C@@]2(c2ccccc2)c2ccc(N*)cc2)cc1,,0.36360706,,,
+75851204,*C[Si](*)(CCCCCC)CCCCCC,,0.40662633,,,
+76090504,*CC(*)OC(=O)C(Cl)(Cl)Cl,,0.35515201,,,
+76415472,*Oc1ccc2cc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)ccc2c1,,0.37630261,,,
+76724169,*CCCC=C(*)c1ccc(OC)cc1,,0.37755684,,,
+76990549,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCCOCCOCC)cc1,,0.35064415,,,
+77456502,*c1ccc(-c2nc3cc(S(=O)(=O)c4ccc5nc(-c6ccccc6)c(-c6ccc(N7C(=O)C8OC9C(=O)N(*)C(=O)C9C8C7=O)cc6)nc5c4)ccc3nc2-c2ccccc2)cc1,373.476202,,,,
+79415769,*CCOC(=O)N(C)c1ccc(C)c(N(C)C(=O)O*)c1,42.46691504,,,,
+79940149,*NCCCCCCNc1nc(*)nc(-c2ccccc2)n1,,0.39025113,,,
+80116442,*CCOC(=O)CCCCCCCCC(=O)OCCOC(=O)c1ccc(C(=O)O*)cc1,,0.34043284,,,
+80376161,*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1-c1ccc(S(=O)(=O)O)cc1,,0.37247097,,,
+80487296,*C=Cc1c(OC(=O)c2ccc(C(=O)Oc3cccc4ccc(*)nc34)cc2)ccc2ccccc12,,0.36132487,,,
+80883741,*NC(C#N)=C(C#N)NC(=O)c1ccc(C(*)=O)cc1,,0.34231811,,,
+80922127,*Nc1ccc(C2(c3ccc(N*)cc3)[C@H]3C[C@@H](C)C[C@@H]2C[C@@H](C)C3)cc1,,0.37552155,,,
+80929895,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CN3CCN(*)CC3)cc2)cc1,,0.35130308,,,
+81065395,*Nc1ccc(C2(c3ccc(N*)cc3)CCCCCCC2)cc1,,0.35406496,,,
+81137216,*CCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,,0.37913267,0.425,0.889143617,23.85283439
+81531670,*CCCC1CCN(SC(=O)OCCCCOC(=O)SN2CCC(*)CC2)CC1,-6.032415023,,,,
+81725470,*/C=C/c1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,,,0.242,0.969832402,13.49779574
+82529518,*NC1=CC[C@@H](C(c2ccc(N)cc2)(c2ccc(N*)cc2)c2ccc(N)cc2C)C=C1,,0.37144246,,,
+82633177,*C1Cc2ccccc2C1*,,0.42698874,0.13,0.889251685,12.77290213
+82784880,*CC(*)C(=O)Oc1ccc(C(=O)OC)cc1,,0.3308451,,,
+82911538,*Nc1ccc(-c2ccc3c(c2-c2ccc(N*)cc2)Cc2ccccc2-3)cc1,,0.35793265,,,
+82950702,*CCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.34443591,,,
+82977315,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O*,,,0.507,0.89522718,20.57750836
+83711501,*NCCCCCCN*,,0.328363025,,,
+83752896,*CC(*)c1cccc(Br)c1,,0.42093042,,,
+83890516,*CC(*)c1ccc(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.35853406,,,
+84000426,*c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc(*)[nH]c6c5)cc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.42292902,,,
+84183521,*Nc1ccc([C@H](CCC)c2ccc(C(CCCC)c3ccc([C@@H](CCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36924197,,,
+84553861,*CC(*)[Si](C)(C)C,,0.41330473,,,
+84753546,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(Sc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c2)cc1,,0.36216048,,,
+85350789,*O[Si](*)(CCCOCCOC)CCCOCCOC,,0.37513853,,,
+85512320,*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.365223,,,
+86043004,*c1ccc2c(c1)Sc1cc(-c3ccc(-c4ccc(*)s4)s3)ccc1N2CCCCCC,,0.48499786,,,
+86169021,*Nc1ccc(Cc2ccc(C3(c4ccc(Cc5ccc(N*)cc5)cc4)CCC(CC[C@H]4CC[C@H](CCCC)CC4)CC3)cc2)cc1,,0.36481591,,,
+86465615,*C1C(=O)OC(=O)C1C1C2CC(C(=O)OCCOCC)C(C2)C1*,,0.32509916,,,
+86721128,*c1ccc(C(C#N)(C(=O)OCCCC)C(*)(C#N)C(=O)OCCCC)cc1,,0.39356228,,,
+86909617,*Nc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N*)cc21,,0.37643744,,,
+86993682,*Oc1cccc2c(OC3(F)C(*)(F)C(F)(F)C3(F)F)cccc12,,0.3436634,,,
+87338341,*CCCCCCCCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(O*)c3)c2)c1,,0.35145128,,,
+87721068,*CC#CCOC(=O)NCCCCCCNC(=O)O*,,0.34308994,,,
+88136935,*C=CC1CC(*)C2C(=O)N(c3ccccc3C)C(=O)C12,,0.36253604,,,
+88832421,*CCCC(Cl)C(*)Cl,,0.38583905,,,
+89077090,*Cc1ccc(CN(CC)C(=O)CCCCCCCCCCCCCCCCC(=O)N(*)CC)cc1,4.279694171,,,,
+89099554,*CC(*)(CC(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1,,0.35265054,0.199,1.092735648,10.74609762
+89164117,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6ccc(Sc7ccc(Oc8cccc9c8C(=O)N(*)C9=O)cc7)cc6)c5C4=O)cc3)c2)cc1,,0.36405508,,,
+89377326,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2-c2cccc3ccccc23)cc1,,0.3649896,,,
+89692209,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)c7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36204045,,,
+90074942,*Oc1ccc(OC(=O)c2ccc(OCCCCCCOc3ccc(C(*)=O)cc3)cc2)cc1S(=O)(=O)c1ccccc1,,0.35188537,,,
+90183382,*CC(*)C(=O)OC12CC3CC(CC(C3)C1)C2,,0.38043932,,,
+90208491,*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)cc1,,0.33785141,,,
+90217162,*CC(OC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(COC(=O)O*)OC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C,,0.35315661,,,
+90460674,*c1cccc(OCCCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.34628726,,,
+90954727,*ON(C(F)(F)F)C(F)(Cl)C(*)(F)F,,0.31968065,,,
+91029862,*c1ccc(Oc2ccc(-c3cc(-c4cccc(-c5cc(*)c6ccccc6n5)c4)nc4ccccc34)cc2)cc1,,0.40199506,,,
+91669068,*Oc1ccc(Nc2ccc(S(=O)(=O)c3ccc(Nc4ccc(Oc5ccc(C(C)(C)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38534918,,,
+91718962,*OC(CCC)CCC(C(*)=O)C1OCCCO1,,0.36177328,,,
+91927958,*CC(*)(C)C(=O)OCCCN(C)c1ccc(N(C)C)cc1,,0.36463818,,,
+92209780,*CC(CCCCCCCCCCCCCCCC)C1C(=O)N(CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C1*,,0.35619083,,,
+92330874,*Oc1ccc(Cc2ccc(OC(=O)c3cc(OCCCCC)cc(C(*)=O)c3)cc2)cc1,,0.3613898,,,
+92595615,*CC(*)C(=O)OCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.35001678,,,
+92619090,*CC(*)C(=O)Oc1ccc(C)cc1,,0.3609429,0.193,1.051609028,13.5752804
+92814383,*CCCCCCCCCCCCCCCCCCCCCC(=O)N*,,,0.4325,0.866351429,21.86411406
+92922401,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c(C)c5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1C)C2=O,,0.36870251,,,
+92946122,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5-c5ccccc5)c(-c5ccccc5)c3)C4=O)cc2)cc1,,0.36600725,,,
+93073928,*Nc1ccc(-c2c(-c3ccc(N*)c(-c4ccc(N)cc4)c3-c3ccc(N)cc3)ccc(N)c2-c2ccc(N)cc2)cc1,,0.35447107,,,
+93319116,*COCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,0.32347655,,,
+93467042,*Nc1ccc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)c1N*,,0.35176694,,,
+94248723,*CC(*)C(=O)OCCCOC,,0.34969049,,,
+94344742,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5nnc(*)c6c(-c7ccccc7)c(-c7ccc8ccccc8c7)c(-c7ccc8ccccc8c7)c(-c7ccccc7)c56)cc4)cc3)cc2)cc1,,0.39742985,,,
+94543909,*CC(CCCCCCOc1ccc(N=Nc2ccc(Br)cc2)cc1)COC(=O)CCCCC(=O)O*,,0.37066043,,,
+95310452,*CC(*)c1ccccc1C(=O)OCC,,0.36304161,0.1816666666666666,,
+95396471,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(*)ccc1-2,,0.42664647,,,
+95579704,*Nc1cc(C(c2ccccc2)([C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(CC)c(CC)c1N*,,0.3914683,,,
+95950675,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7c(C)cc(C(C)(C)c8cc(C)c(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)c(C)c8)cc7C)cc6C5=O)cc4)cc3C)c(C)c2)cc1,,0.3950498,,,
+96953852,*Nc1cc2ccccc2c(N*)c1-c1ccc2ccccc2c1,,0.3505442,,,
+97597340,*CCCCCCCCCCCCCCCCOC(=O)NCCCCCCNC(=O)O*,,0.37330351,0.348,,
+97633900,*C=Cc1ccc(N=Nc2ccc(N(C)CCOC(=O)Nc3ccc(C)c(NC(=O)OCCN(C)c4ccc(N=Nc5ccc(C=CC6=CC(=C(C#N)C#N)C=C(*)O6)cc5)cc4)c3)cc2)cc1,,0.37425307,,,
+98585154,*c1ccc(-c2cnc3cc(S(=O)(=O)c4ccc5nc(*)cnc5c4)ccc3n2)cc1,,0.43056013,,,
+98641557,*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1-c1ccc(S(=O)(=O)O)c(C)c1,,0.36929236,,,
+98940224,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(NC(=O)c4ccc(-c5ccc(C(=O)Nc6ccc(*)cc6)c(C)c5)cc4C)cc3)cc2)cc1,,0.36387145,,,
+99321215,*Oc1ccc(C(C)(C)c2ccc(OC(=O)OCCN(CCOC(*)=O)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1,,0.3473227,,,
+99440116,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N=Nc2ccc(F)cc2)cc1,,0.37077177,,,
+99885429,*Oc1ccc(C(=O)Nc2ccc(Br)cc2-c2ccc(NC(=O)c3ccc(*)cc3)cc2)cc1,,0.36393423,,,
+99908460,*CC(*)(C)C(=O)Oc1ccc(C(=O)Oc2ccc(Oc3ccccc3)cc2)cc1,,0.34257003,,,
+100028701,*Nc1nnc(-c2nnc(N*)n2N)n1N,,0.3228214,,,
+100174621,*CC(*)(C)C(=O)OC1CCC(C(C)(C)C)CC1,,0.38851796,0.153,0.856410503,10.86090269
+100767985,*CCCCCCCCCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.35104794,,,
+101151007,*C=Cc1cccc(OC(=O)CCCCCCCCC(=O)Oc2cccc(-c3nnc(*)s3)c2)c1,,0.35908585,,,
+101268497,*CC(c1ccccc1)C1C(=O)N(C(C)(C)C)C(=O)C1*,,0.37467147,,,
+101351388,*CCc1ccc(CCNC(=O)CCCCCCCCCC(=O)N*)cc1,,0.35500792,,,
+101355121,*Nc1ccc2c(c1)[C@@H]1c3ccc(N)cc3[C@H]2c2cc(N*)ccc21,,0.38382631,,,
+101541565,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3ccc(*)c4nsnc34)ccc1-2,,0.4103927,,,
+101762204,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.36946761,,,
+102315862,*OP(=O)(Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1)OC1CCCCC1,,0.36199402,,,
+102324503,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(C)(CC)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.37130166,,,
+102434627,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(C(C)(C)c6ccc(Oc7ccc(C(=O)Nc8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.36683276,,,
+102464376,*Nc1ccc(/C=C/c2c3ccccc3c(-c3c4ccccc4c(CCc4ccc(N*)cc4)c4ccccc34)c3ccccc23)cc1,,0.36999333,,,
+102545459,*Cc1ccc(CNC(=O)CCCCCCCCCC(=O)N*)cc1,,0.35148366,,,
+102606896,*CCCCCCCCCCC(=O)N*,,0.36981309,,,
+102779162,*c1cc(CCCCCCCCCCCCCCCCCCCCCC)c(*)s1,,,0.39725,0.883511374,15.35786351
+103257739,*c1ccc2c(c1)C(=O)N(c1cccc(C(c3ccccc3)(c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)C(F)(F)F)c1)C2=O,,0.38996211,,,
+103265366,*CCN(*)C(=O)c1ccc(F)c(F)c1F,,0.34115264,,,
+103451865,*O[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](*)(C)C,,0.49824253,,,
+103929649,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)N(N3C(=O)c5ccc(*)cc5C3=O)C4=O)cc2)cc1,,0.37987007,,,
+104251154,*Nc1ccc(-c2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.34734825,,,
+104578958,*c1cccc(N2C(=O)c3cccc(Oc4c(C)cc(Cc5cc(C)c(Oc6cccc7c6C(=O)N(*)C7=O)c(C)c5)cc4C)c3C2=O)c1,,0.38564585,,,
+104743895,*C1CCCCC1S(*)(=O)=O,,0.35327947,,1.174206042,15.15828898
+104905382,*Oc1ccc(S(=O)(=O)c2ccc3cc(S(=O)(=O)c4ccc(Oc5c(C)cc(-c6cc(C)c(*)c(C)c6C)c(C)c5C)cc4)ccc3c2)cc1,,0.39776859,,,
+104973461,*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(C)c1,,,,1.1275851,
+105391120,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccccc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.36153949,,,
+105613036,*c1ccc2c(c1)C(=O)N(c1ccc(OCCN(CCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c3ccc(C(C#N)=C(C#N)C#N)cc3)cc1)C2=O,,0.35967534,,,
+105789643,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6cc7ccccc7cc6Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c2)cc1,,0.36484641,,,
+106050783,*c1ccc(Oc2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2C(C)(C)C)cc1,,0.40376048,,,
+106083096,*Nc1c(/C=N/O)cc(/C=N/O)c(N*)c1N,,0.3106329,,,
+106612314,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccc(Cl)cc5)C6=O)cc4)cc3)cc2)cc1,,0.38149457,,,
+106732867,*C(=O)Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(C8(c9ccc(Oc%10ccc(N%11C(=O)c%12ccc(*)cc%12C%11=O)cc%10)cc9)CC9CC8C8CCCC98)cc7)cc5)C6=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.37100735,,,
+106795224,*CCCCCCCCCCCC(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)CCCCC2)cc1,,0.35744625,,,
+106825904,*CC(*)C(=O)OCCCCCCOc1ccc(C=Nc2ccc(OCCCCC)cc2)c(O)c1,,0.36508444,,,
+106963136,*c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)C(F)(F)C(F)(F)c3cccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)c3)c1)C2=O,,0.35278394,,,
+107158685,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4c(C(=O)c5ccc(*)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c4-c4ccc(F)cc4)cc3)cc2)cc1,,0.40390264,,,
+107530968,*CCCCCCCCCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.37988049,,,
+107562247,*Oc1ccc(C(=O)Nc2cc(C(c3ccc(C)c(NC(=O)c4ccc(OC(=O)c5cccc(C(*)=O)c5)cc4)c3)(C(F)(F)F)C(F)(F)F)ccc2C)cc1,,0.34711182,,,
+108528555,*Nc1c(CCCCC)c2ccc3cccc4ccc(c1N*)c2c34,,0.34744506,,,
+108998578,*c1ccc(Sc2cccc(Sc3ccc(S(*)=O)cc3)c2)cc1,,0.37723883,,,
+109027922,*c1cc(C=Nc2ccc3c(c2)c2cc(N=Cc4cc(*)c(O)c(*)c4)ccc2n3CCCCCC)ccc1O,,0.37196889,,,
+109081671,*CCN(*)C(=O)C(C)C,,0.3630483,,,
+109313016,*c1cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c(O)cc1O,,0.36149499,,,
+109395625,*CC(*)(C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,0.36603626,0.0829999999999999,1.354866985,14.15089535
+109705207,*Nc1c(N)c(N)c2c(c1N*)C(C=C)(C=C)OC2=O,,0.32341384,,,
+110596247,*Nc1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(C(*)=O)cc3)cc2)cc1C(=O)OCCCCCCCCCCCC,,0.35205318,,,
+110986650,*CCCCCCCCNC(=O)c1ccc(C(=O)N*)c(Sc2ccccc2)c1,,0.3581334,,,
+111009795,*Oc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(*)cc2)cc1,,0.34325805,,,
+111108341,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC1=C(*)c2cccc3cccc1c23,,0.42229227,,,
+111650158,*c1cccc(Oc2ccc(Oc3cccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)cc2)c1,,0.35930853,,,
+111668732,*Oc1cccc(OC(=O)Oc2ccc(C(C)(C)c3ccc(OC(*)=O)cc3)cc2)c1,,0.34341642,,,
+111707044,*Nc1ccc(C2(c3ccc(N*)cc3)CCC[C@@H](CC=C)C2)cc1,,0.3496808,,,
+111708400,*CCC(C)(C)CC(C)COC(=O)CCCCC(=O)O*,,0.34655026,,,
+112017015,*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)c(C(=O)OCC)cc2C(=O)OCC)cc1,,0.34702207,,,
+112351140,*CCC(F)(F)C(*)(F)Cl,-41.84388225,,,,
+112553722,*Nc1ccc(CC(*)=O)cc1,63.68828699,,,,
+112989596,*CCOCCOC(=O)CC(=O)O*,,0.31955507,,,
+113181684,*C/C=C\C[Si](*)(C)C,,0.41205158,,,
+113263690,*Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(N*)cc2)cc1,,0.36641724,,,
+113817075,*CC(*)c1ccc(C(Cc2ccccc2)=NO)cc1,,0.35451524,,,
+113985401,*Nc1ccc(Sc2ccc(N*)cc2)cc1,,0.34614089,,,
+114257024,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=Nc4ccc(Oc5ccc(N=Cc6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37338058,,,
+114287113,*C=Cc1cc(OCC2CC3CC2C2CCCC32)c(*)cc1OC,,0.36979921,,,
+114988183,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5c(C)cc(Cc6cc(C)c(Oc7ccc8c(c7)C(=O)N(*)C8=O)c(C)c6)cc5C)cc4C3=O)c(C)c2)cc1C,,0.40345337,,,
+115242060,*CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCOc3ccc(C(C)(C)c4ccc(O*)cc4)cc3)cc2)cc1,,0.3438323,,,
+115627985,*Nc1ccc(C2(c3ccc(N*)cc3)CCC[C@@H](CCCCCCCCCCCCCCC)C2)cc1,,0.36007197,,,
+116018739,*C(C)=C(*)CCCCC,,0.40782502,,,
+116082085,*Nc1ccc(-c2ccc(N*)c(CC=C)c2CC=C)cc1,,0.3502113,,,
+116488904,*CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)O*,,,0.294,0.910678639,20.53765653
+116842973,*Nc1ccc(-c2cccc(N*)c2-c2ccccc2)cc1,,0.35759716,,,
+116907306,*CC(*)(C)C(=O)OCCOCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.356451,,,
+117726673,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1,,0.35725227,,,
+118056137,*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)F,,0.33120706,,,
+118556246,*Oc1c(C)cc(-c2cc(CBr)c(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)c(CBr)c2)cc1CBr,,0.4178534,,,
+118829848,*CC1CC2CC1C1CCC(CN3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)C21,,0.3636249,,,
+118919299,*C(=C(*)c1ccc(C(C)(C)C)cc1)c1ccccc1,,0.47395904,,,
+118991284,*CCOCCOC(=O)C(C)C(=O)O*,,0.33298601,,,
+119301714,*CCNC(=O)CCCCCCCC(=O)NCCNC(=O)C(=O)N*,112.5256843,,,,
+119392727,*Nc1ccc(C(c2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35699838,,,
+120060047,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)c3cc(N(C)C)ccc3-c3ccc([N+](=O)[O-])cc32)cc1,,0.38701526,,,
+120425171,*CCCCCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.37294076,,,
+120794322,*c1ccc(-c2nc3ccc(-c4ccc5nc(*)c(-c6ccccc6)c(-c6ccccc6)c5c4)cc3c(-c3ccccc3)c2-c2ccccc2)cc1,,0.43936443,,,
+121214961,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c1,,0.35851232,,,
+122170493,*c1ccc([Si](C)(C)[Si](*)(C)C)s1,,0.46355784,,,
+122752033,*CCCCCCCNC(=O)C(OC)C(OC)C(=O)N*,,0.34313577,,,
+122815777,*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(S(=O)(=O)c5ccc(Oc6ccc(-c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.3713436,,,
+123479038,*CC(*)(CF)C(=O)OC,,,0.1365,1.048000594,18.18607796
+123524661,*Oc1c(F)c(F)c(COC(c2cccc(C(OCc3c(F)c(F)c(Oc4ccc(Cc5ccc(*)cc5)cc4)c(F)c3F)(C(F)(F)F)C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)c(F)c1F,,0.34625699,,,
+123705047,*C=CC1CC(*)C2C(=O)N(CCCCCCCCCC)C(=O)C12,,0.37406215,,,
+124053674,*Nc1c(Cl)cc(*)cc1Cl,-0.214281278,,,,
+124111614,*c1ccc(Oc2ccc(-c3ccc4nc(Oc5cc(-c6ccccc6)c6cc(*)ccc6n5)cc(-c5ccccc5)c4c3)cc2)cc1,,0.38805343,,,
+124665758,*CC(*)CCCC,,,0.2306666666666666,0.776895965,12.02548488
+124836094,*CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)CN5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N(*)C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc2)cc1,,0.34942241,,,
+125425163,*c1ccc(-c2c(-c3ccccc3)nc3ccc(Oc4ccc5nc(-c6ccccc6)c(*)c(-c6ccccc6)c5c4)cc3c2-c2ccccc2)cc1,,0.40668067,,,
+125472122,*CCCNC(=O)O*,,0.31360037,,,
+125514208,*c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5c(C)cc(C(C)(C)c6cc(C)c(Oc7ccc8c(c7)C(=O)N(*)C8=O)c(C)c6)cc5C)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.40081529,,,
+125846951,*CC(*)c1cc(C(=O)Oc2ccc(OCCCCCCCCCCCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCCCCCCCCCCCC)cc1,,0.38047103,,,
+125969488,*CC(OC(C)=O)C(COC(=O)O*)OC(C)=O,,0.3184913,,,
+126334280,*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(-c4nc5ccccc5nc4*)cc3)c2)cc1,,0.3678366,,,
+126444620,*OP(=O)(Oc1ccccc1)Oc1cccc2c(*)cccc12,,0.34871423,,,
+126841859,*CC(=O)NCCCCCCNC(=O)COc1ccc(O*)cc1,,0.3285221,,,
+127626732,*CC(*)(Cl)C(=O)OC,,0.32998468,,,
+127834200,*CC(*)c1c(F)c(F)c(P(=O)(O)O)c(F)c1F,,0.32683261,,,
+127883611,*Nc1cc2c(cc1N*)C(CC)(CC)CC2(C)C,,0.36408964,,,
+127891371,*Oc1ccc(C(=O)c2cccc(*)c2)cc1,,0.36659274,,,
+128067074,*c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C(C)C)c4)c4ccccc4-c4ccccc43)cc1C(C)C)C2=O,,0.43454903,,,
+128211105,*Oc1ccc(C2(c3ccc(OC(=O)C45CC6CC(CC(C(*)=O)(C6)C4)C5)cc3)c3ccccc3-c3ccccc32)cc1,,0.38474727,,,
+129058504,*CCOC(=O)Nc1cc(NC(=O)O*)ccc1C,,0.32591099,,,
+129677973,*Oc1c(Cl)cc(C(=C(Cl)Cl)c2cc(Cl)c(OC(*)=O)c(Cl)c2)cc1Cl,,0.40362445,,,
+130236950,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)cc2)cc1,,0.37077884,,,
+130348754,*CCC(C)CCC(=O)S*,,0.38621425,,,
+130603875,*Nc1ccc(-c2ccc(N*)c3cc4ccccc4cc23)c2cc3ccccc3cc12,,0.3627942,,,
+131030961,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.38062557,,,
+131086449,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5c(C)cc(-c6cc(C)c(Oc7ccc8c(c7)C(=O)N(*)C8=O)c(C)c6)cc5C)cc4C3=O)cc2)cc1,,0.39388382,,,
+131094319,*C=C[Ge](*)(c1ccccc1)c1ccccc1,,0.39302909,,,
+131123838,*CCCCCCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccccc2)c1,,0.36034333,,,
+131275030,*CC(*)C(=O)OCC(CC)CC,,,0.2095,0.91413913,12.27591848
+131448132,*NC1=C(N*)C(=Nc2c(C)cccc2C)C(N)=C(N)C1=O,,0.33122927,,,
+131486630,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCC(C)C)cc1,,0.34979846,,,
+131992742,*c1cc(-c2ccccc2)c(*)[nH]1,120.4503456,,,,
+132133665,*OC(COC(=O)C1CCC(C(*)=O)CC1)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.36227874,,,
+132181866,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3ncnc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)n3)c1)C2=O,,0.36454415,,,
+132706466,*c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)c6cc(Oc7ccc8nc(*)cc(-c9ccccc9)c8c7)ccc6n5)cc4)cc3)cc2)cc1,,0.40016775,,,
+132725176,*C(=O)c1cc2c(cc1Cl)C(=O)N(c1cc(N3C(=O)c4cc(*)c(Cl)cc4C3=O)cc(C(C)(C)C)c1)C2=O,,0.41625991,,,
+133123853,*CCNC(=O)c1ccc(O*)cc1,,0.3294033,,,
+133124835,*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)c(C(C)(C)C)c1,,0.36528492,,,
+133986624,*C#Cc1ccc(*)c(SCCCCCCCCCCCC)c1,53.41644401,,,,
+134240821,*c1ccc(-c2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(-c4ccc(N(*)c5ccc(N(c6ccc(C(C)(C)c7ccccc7)cc6)c6ccc(C(C)(C)c7ccccc7)cc6)cc5)cc4)ccc2-3)cc1,,0.42294334,,,
+134957671,*OC(=O)C(CC(C)C)NC(=O)CCCCC(=O)NC(CC(C)C)C(=O)OC1COC2C(*)COC12,,0.34245153,,,
+135202428,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8ccccc8)[nH]c7*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38523355,,,
+135272498,*NC(CCC(=O)OCCCCCCCC)C(*)=O,,0.36388977,,,
+135399849,*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(Oc3ccc(C(=O)Nc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.37438756,,,
+135571738,*Nc1ccc(C2(c3ccc(N*)cc3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@]2([C@]23C[C@H]5C[C@H](C[C@H](C5)C2)C3)C4)cc1,,0.36595891,,,
+136037972,*Nc1ccc(-c2ccc(Nc3ccc4c(c3)c3cc(*)ccc3n4CC(CC)CCCC)cc2)cc1,,0.39144941,,,
+136482029,*c1ccc(Cc2ccc(N3C(=O)c4ccc(OCCN(CCOc5ccc6c(c5)C(=O)N(*)C6=O)c5ccc(C=Cc6ccc([N+](=O)[O-])cc6)cc5)cc4C3=O)cc2)cc1,,0.35258622,,,
+136535007,*Nc1ccc2c(c1N*)[C@H]1c3ccccc3[C@@H]2c2ccccc21,,0.37638503,,,
+136564910,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(C=C2NC(=O)NC2=O)cc1,,0.32170639,,,
+136668087,*CCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,0.35168899,,,
+136676580,*Nc1cc(Oc2cccc(OCC)c2)c(N*)c2c1C(=O)c1c(N)c(Oc3cccc(OCC)c3)cc(N)c1C2=O,,0.33487592,,,
+137060513,*CC1CCC(COP(=O)(N=Nc2ccc(-c3ccc(N=NP(=O)(O*)OC)cc3)cc2)OC)CC1,,0.3611032,,,
+137117611,*Nc1cc2c(cc1N*)C(C)(C)C(C)(C)C2(C)C,,0.35975635,,,
+137415290,*CC(=O)NCCCCCCNC(=O)COC(=O)CCC(=O)O*,,0.31440807,,,
+138808143,*CCOCCOC(=O)CCCC(=O)O*,,0.32465489,,,
+138809640,*CC(*)OC(=O)c1ccccc1Cl,,0.35127788,,,
+139085360,*CCCC(*)(C)C(=O)O,,0.31720928,0.1985,0.996128545,14.52607342
+139188730,*Oc1ccc(NC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C(*)=O)cc3)cc2)cc1,,0.3724538,,,
+139200098,*OC(C)COC(*)=O,,0.32644555,,,
+139585639,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=C4CCC(=Cc5ccc(*)cc5)C4=O)cc3)cc2)cc1,,0.3884516,,,
+139914608,*Nc1ccc(-c2nc(-c3ccc(N)cc3)nc(-c3ccc(N*)cc3)n2)cc1,,0.388028525,,,
+139977598,*Oc1c(C)cc(C2(c3cc(C)c(OC(=O)c4ccc(C(*)=O)cc4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.40878882,,,
+140168832,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34533311,,,
+140415340,*C=CCCC*,,0.41369555,,,
+141066783,*c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc(C#N)c(C#N)nc4*)cc3)cc2)cc1,,0.3670318,,1.154810331,19.52705482
+141135744,*c1cc2cccccc-2c1*,,,0.163,0.814226421,15.84965404
+141962685,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C7(c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)CCCCCCCCCCC7)cc6)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.38366054,,,
+142147775,*CCCCCCOC(=O)OCCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.3498749,,,
+142186672,*CC(*)(C)C,,,0.2125,,
+142224028,*c1ccc(C(c2ccc(N3C(=O)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5cc6c(cc5-c5ccc(C(C)(C)C)cc5)C(=O)N(*)C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.41914206,,,
+142367496,*C=C(*)C(CCC)[Si](C)(C)c1ccccc1,,0.39420659,,,
+142490647,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(Cc4ccc(Cc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.3726534,,,
+142802262,*N(CCC)[Si](C)(C)C[Si](*)(C)C,,0.36931239,,,
+143774509,*Nc1cc(CCc2ccccc2)cc(-c2c(Cc3ccccc3)cccc2N*)c1,,0.34620954,,,
+143809812,*Nc1cccc(C2=C(c3ccccc3)C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@]2(c2ccccc2)c2cccc(N*)c2)c1,,0.38536846,,,
+143899690,*CCN(CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C)cc1,,0.36754794,,,
+143924095,*CCCCCCCCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccccc2)c1,,0.36294756,,,
+144238786,*CC(*)C(=O)OCCCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.35420513,,,
+144472572,*Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N*)c(-c3cccc(C)c3)c2-c2cccc(C)c2)cc1,,0.3833667,,,
+144839830,*Oc1ccc(OC(=O)c2ccc(-c3ccc(C(*)=O)cc3)cc2-c2ccccc2)cc1-c1ccccc1,,0.36302483,,,
+145920765,*Nc1ccc(-c2ccccc2)cc1-c1cc(-c2ccccc2)ccc1N*,,0.34380582,,,
+146156380,*Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(Cc6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37347921,,,
+146165767,*CC(*)C(=O)Oc1ccccc1C(=O)OCC,,0.34193667,,,
+146221251,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)O[Si](C)(C)C)cc5C4=O)cc3)cc1)C2=O,,0.41117013,,,
+146716935,*Nc1ccc([C@@H](Cc2ccccc2)c2cccc(N*)c2)cc1,,0.348692,,,
+147030895,*C(=O)c1cccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)c1,,0.37036169,,,
+147633092,*OC(C)COC(=O)c1ccccc1C(*)=O,,0.33635489,,,
+147677118,*CC(*)(C)C(=O)OCCOCC,,,0.212,1.013471369,12.39029756
+148111753,*CCOCCC(=O)O*,,0.3272277,,,
+148248890,*CC(*)(C)C(=O)OCCN(CC)CC,,0.3615965,0.2375,0.960101927,11.45757736
+148252767,*CC(*)OC(=O)c1ccc([N+](=O)[O-])cc1,,0.38294962,,,
+148616974,*CCCOC(=O)C(C)O*,,0.34983248,,,
+149053950,*c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(Sc4ccc(Sc5ccc(Sc6ccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)cc5)cc4)cc3)cc1)C2=O,,0.38371723,,,
+149101883,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6nc7ccccc7n6-c6ccc(-n7c(*)nc8ccccc87)cc6)cc5)cc4)c3)cc2)cc1,,0.37557123,,,
+149152941,*C(=O)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(Cc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc4)C5=O)cc3)cc2)cc1,,0.37562904,,,
+150274872,*Oc1ccc(C(C)(C)c2ccc(Oc3cccc(*)n3)cc2)cc1,,0.3589821,,,
+150383443,*CCOCCOCCOC(=O)CCC(=O)O*,14.21396213,,,,
+150398974,*CC(c1ccccc1)C1C(=O)N(CCCN(CC)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2)C(=O)C1*,,0.37423891,,,
+150541495,*C=C(*)c1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(Oc6cccc(Oc7cccc(N8C(=O)c9ccc(C(=O)c%10ccc%11c(c%10)C(=O)N(c%10cccc(C(*)=C)c%10)C%11=O)cc9C8=O)c7)c6)c4)C5=O)cc3C2=O)c1,,0.36553114,,,
+151009154,*Oc1cc(Oc2cccc(NC(=O)c3cc(Oc4ccc(C(=O)O)c(C(=O)Nc5cccc(*)c5)c4)ccc3C(=O)O)c2)ccc1C#N,,0.33806241,,,
+151282337,*c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N4C(=O)c5ccc(Oc6ccc7cc(Oc8ccc9c(c8)C(=O)N(*)C9=O)ccc7c6)cc5C4=O)cc3)cc2)cc1,,0.38326204,,,
+151355449,*CCOCCOC(=O)CCSCCC(=O)O*,,0.34050222,,,
+151560379,*CC(CCCCCCOc1ccc(N=Nc2ccc(OC)cc2)cc1)COC(=O)CCCCC(=O)O*,,0.35673043,,,
+151874358,*CCCCC(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)c(C)c1,,0.34027795,,,
+151905187,*CCOCCOCCOCCOCCOCCOC(=O)NCCCCCCNC(=O)O*,,0.33926085,,,
+152255453,*Oc1ccc(Oc2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.34811185,,,
+152289390,*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)c2)cc1,,0.36602103,,,
+152393943,*Nc1ccc(C(CCC)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36407339,,,
+152467749,*c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)c4)cc3)cc2)c1,199.6619548,,,,
+152612020,*CC(*)(C)C(=O)OCCCCCCCCCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1,,0.36948879,,,
+152623829,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(Oc4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.36060711,,,
+153052486,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(-c5nc(*)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1,,0.40426914,,,
+153647431,*Cc1cc2cc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5cc6cc(*)c(OC(=O)COc7ccc8ccc(=O)oc8c7)cc6oc5=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(=O)oc2cc1OC(=O)COc1ccc2ccc(=O)oc2c1,,0.32655452,,,
+153735651,*Nc1cccc2c(NC(=O)c3cc(NC(=O)C(CCSC)N4C(=O)c5ccccc5C4=O)cc(C(*)=O)c3)cccc12,,0.34651154,,,
+153736542,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.34429229,,,
+153783159,*CC(*)c1ccc(C(=O)OCCN(C)C)cc1,,0.37142885,0.2314999999999999,1.0222365,11.6806072
+153852064,*Nc1ccccc1-c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3ccccc3N*)ccc1-2,,0.36887719,,,
+154178646,*Nc1ccc(-c2ccc([C@@H](C)c3ccc(N*)cc3)cc2)cc1,,0.34963968,,,
+154318869,*CC(*)(C)C(=O)NC(=O)OCCOc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCCO)c(Br)c2)cc1Br,,0.36467521,,,
+154607078,*OS(=O)(=O)c1cccc(C(=O)Oc2ccc(C(C)(C)c3ccc(*)cc3)cc2)c1,,0.36064897,,,
+154881704,*c1cc(C(=O)O)cc(N2C(=O)CC(C3CC4C(=O)N(*)C(=O)C4c4ccccc43)C2=O)c1,,0.3520042,,,
+154956060,*Nc1ccc2c(c1)-c1ccc(N*)c3cccc-2c13,,0.33585092,,,
+155701787,*C=CC(C(=O)OCC)C(*)C(=O)OCC,,0.36320884,,,
+155951033,*CCOC(=O)c1ccc(CCc2ccc(C(=O)O*)cc2)cc1,53.2795594,,,,
+156397667,*c1cc(*)cc(-c2nc3ccccc3o2)c1,,0.39004417,,,
+156526173,*CC(*)(C)C(=O)OCCCCCCCCCCn1c2ccccc2c2cc(C=CC3=C(C#N)C(=C(C#N)C#N)OC3(C)C)ccc21,,0.37456116,,,
+157448813,*C=C(C#N)C(=O)OCCCCCCOC(=O)C(C#N)=Cc1ccc2c(c1)c1cc(*)ccc1n2CCCCCCCCCCCn1c2ccccc2c2ccccc21,,0.36772669,,,
+157842166,*CC(*)c1cccc(C)n1,,0.39815003,,,
+157943579,*C=CC1CC(*)C(C#N)([Si](C)(C)C)C1,,0.40700493,,,
+158153643,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5C(F)(F)F)C6=O)cc4)cc3)cc2)cc1,,0.39560548,,,
+159062110,*c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(-c6nc(-c7cccc(-c8nc(*)c(-c9ccccc9)[nH]8)c7)[nH]c6-c6ccccc6)cc5)cc4)cc3)cc2)cc1,,0.40285522,,,
+159202130,*NCc1c2ccccc2c(CN*)c2c(N)cccc12,,0.33082098,,,
+159242278,*CCCCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCCCOP(=O)(O*)OC)c(OC)c3)C2=O)cc1OC,,0.35402154,,,
+159632571,*Nc1ccc(C2=Cc3ccccc3C3(c4ccccc42)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc23)cc1,,0.38649399,,,
+159895291,*CC(=O)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(=O)CN5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N(*)C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc2)cc1,,0.35255561,,,
+160086436,*Oc1ccc(C(CC)(c2ccccc2)c2ccc(OC(*)=S)cc2)cc1,,0.36657618,,,
+160203629,*CC(*)C(=O)OCc1ccc(C#N)cc1,,0.35524043,0.182,1.094513754,11.86407254
+160829220,*c1cc(/C=N/c2cccc(C)c2)cc(*)c1O,,,0.192,0.99179579,13.46142519
+161010769,*CCC(*)(C)c1ccccc1,,0.38823069,,,
+161201125,*CC(*)C(=O)OC1CC(C)CC(C)(C)C1,,0.38012306,0.2205,0.909612952,11.78379961
+161607336,*Oc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc(-c5ccc(C(=O)Nc6ccc(*)cc6)c(C)c5)cc4C)cc3)cc2)cc1,,0.36165997,,,
+161723503,*c1cccc(Oc2cccc(Oc3cccc(Oc4cccc(Oc5cccc(N6C(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)c5)c4C#N)c3)c2C#N)c1,,0.36435311,,,
+162025525,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(*)nn3)cc2)cc1,,0.36876206,,,
+162133188,*Nc1ccc(CC(CC)(CC)c2ccc(N)c(CC(C)(C)c3ccc(N*)cc3)c2)cc1,,0.35644292,,,
+163611533,*Nc1ccc([C@@H](C2=CCC(N)(N*)C=C2)c2ccccc2)cc1,,0.3443427,,,
+163724879,*c1cccc(N2C(=O)c3cccc(Oc4ccc(C(=O)c5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc4)c3C2=O)c1,,0.36803803,,,
+163827064,*Oc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4ccc(Oc5cccc(*)n5)cc4)cc3)cc2)cc1,,0.36767472,,,
+164182648,*CC(*)OC(=O)c1cccnc1,,0.34320724,,,
+164916720,*CCCCCCOC(=O)C(CCCCCCCCCCBr)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.37107899,,,
+164960718,*c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.3879693,,,
+165064963,*Nc1c(CC)cc(Cc2cc(CC)c(N*)c3ccccc23)c2ccccc12,,0.36700436,,,
+165170378,*CC(*)Cc1ccc(C)cc1,,0.3852781,,,
+165675920,*CC(*)(CC(=O)OC1CCCCCC1)C(=O)OC1CCCCCC1,,0.36822035,,,
+165704886,*Nc1cc(Cl)c(-c2cc(Cl)c(N*)cc2Cl)cc1Cl,,0.36444978,,,
+165718490,*Oc1ccc(OC(=O)c2cccc(C(*)=O)c2)cc1,,0.34002777,,,
+166073456,*CC(C)(C)CS(=O)(=O)CC(C)(C)COC(=O)O*,,0.35691907,0.186,1.089194614,17.59804845
+166405771,*CCCCCCNC(=O)C(CCCCCCCCCCCCCC)C(=O)N*,,,0.319,,
+166484126,*Nc1ccc(-c2ccccc2)c(-c2ccccc2CC)c1N*,,0.35913139,,,
+166538508,*CC(O)CN(*)c1cc(C)c(N=Nc2ccc([N+](=O)[O-])cc2C)c(C)c1,,0.37035052,,,
+166991206,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O*,,,0.3545,0.899322314,23.96801429
+167315243,*CCc1ccc(*)c2ccccc12,,0.37967697,,1.050887217,20.17560548
+167636925,*Sc1ccc2c(c1)Sc1ccc(*)cc1S2,,0.40790715,,,
+168537867,*c1ccc(C=Nc2cccc(N=Cc3ccc(-c4ccc(*)s4)cc3)c2)cc1,,0.39327219,,,
+169123787,*Nc1c(C)cc(C2(c3cc(C(C)C)c(N*)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C,,0.40404304,,,
+169172468,*c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6)cc5)cc4C3=O)cc2)cc1,,0.37649698,,,
+169292990,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N=Nc2ccc(Cl)cc2)cc1,,0.37292398,,,
+169412293,*CCCCCCCCCCOCCCCCCCCCCOCCCCCCO*,,,0.269,,
+169491723,*c1ccc(Oc2cccc3c(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cccc23)cc1,,0.37148684,,,
+169582663,*CC(*)(C)C(=O)OCCN(C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36754584,,,
+169699943,*NNC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cn2)C3=O)cc(C(=O)NNC(=O)CCCC(*)=O)c1,,0.33325517,,,
+169832897,*CC(*)C(=O)c1ccc(Br)c(OC)c1,,0.37684712,,,
+170092813,*Oc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(*)cc4)cc3)ccc2c1,,0.36801316,,,
+170253465,*Oc1cccc(Oc2cccc(*)n2)c1,,0.35077616,,,
+170762410,*Nc1ccc([C@H](CC)c2ccc(C3(c4ccc([C@@H](CC)c5ccc(N*)cc5)cc4)CCC(CCCCC)CC3)cc2)cc1,,0.3695966,,,
+171128702,*Oc1ccc(C(=O)OCCCCCCCOC(=O)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.34460962,,,
+171195170,*CC(*)CCCC1CCCCC1,,,0.2463333333333333,,
+172004497,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)c(C)c2)cc1C,,0.39303801,,,
+172704550,*O[Si](C)(C)Oc1ccc(*)cc1,,0.41626444,,,
+173018796,*Oc1ccc(C(=O)c2ccccc2)c(-c2cc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)ccc2C(=O)c2ccccc2)c1,,0.37955991,,,
+173214636,*Nc1ccc(C(c2ccc(NC(=O)c3ccc(C(c4ccc(C(*)=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,,0.36717844,,,
+173616711,*c1ccc2c(c1)C(=O)N(c1cccc3c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cccc13)C2=O,,0.40266196,,,
+174572139,*CC(*)OC(=O)C(C)(C)CC(C)(C)C,,0.37520737,,,
+174718000,*Nc1c(C)cc(-c2cc(C)c(N*)c3ccccc23)c2ccccc12,,0.3715986,,,
+175197734,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CC(C)CCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34861668,,,
+175226564,*CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(Cc3nc5cc(-c6ccc7oc(*)nc7c6)ccc5o3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.36313657,,,
+175456331,*C(=O)CCN1CCN(CCC(=O)N2CCN(*)CC2)CC1,40.58060093,,,,
+175513548,*CCCCCCCCCCOC(=O)CCC(=O)O*,1.783806133,,0.285,,
+175985223,*CC(*)C(=O)OCCCCCCSCC#N,,0.39181191,0.2175,1.039476536,13.18158821
+176911109,*C1C(=O)OC(=O)C1*,,,0.1425,1.365901109,17.04190977
+177156003,*CC(*)(C)C(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1,,0.34368741,,,
+177272960,*c1ccc(*)[nH]1,,0.56389708,,,
+177304158,*CC(*)(C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F,,,0.0465,1.240147043,13.23674474
+177634653,*Nc1cc(Oc2cc(C)cc(C)c2)c(N)c2c1C(=O)c1c(ccc(Oc3cc(C)cc(C)c3)c1N*)C2=O,,0.35668305,,,
+177677392,*CC(CC)(CO*)COC(=O)C(=C)C,,0.35959663,,,
+177977769,*Oc1ccc2nc3c(nc2c1)Sc1cc(-c2ccc4c(c2)Sc2nc5cc(*)ccc5nc2N4)ccc1N3,383.4,,,,
+177999649,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(c1ccccc1)c1cccc([Si](*)(C)c2ccccc2)c1,,0.41493555,,,
+178586120,*C1C(=O)N(CCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1*,,0.34432797,,,
+179710096,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OC)cc1,,0.33270357,,,
+179732838,*Oc1ccc(NC(=O)C=CC(=O)NNC(=O)C=CC(=O)Nc2ccc(OC(=O)c3ccccc3C(=O)NNC(=O)c3ccccc3C(*)=O)cc2)cc1,,0.32132816,,,
+179923409,*CCCCCCCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.34462277,,,
+179976364,*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.35575698,,,
+180279074,*C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6cccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)c6C#N)cc4)C5=O)cc3)c2C#N)cc1,,0.35942779,,,
+180321996,*CCCCCCCCCC[N+](*)(C)C,,0.76931541,,,
+180324539,*C1OC(C(F)(F)F)(C(F)(F)F)OC1(*)F,,0.36688477,,,
+180355416,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc5cc(C(=O)c6ccc(*)cc6)ccc5c4)cc3)cc2)cc1,,0.3816141,,,
+180651708,*CCCCCCSC(=O)CCCCCCCCC(=O)S*,-39.13613776,,,,
+180714059,*CCCCCCNC(=O)CCP(=O)(CCC(=O)N*)c1ccccc1,,0.34647823,,,
+180949734,*N=P(*)(OCCc1ccccc1)OCCc1ccccc1,,0.36125209,,,
+181297795,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4cccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(*)cc7)cc6)cc5)c4)cc3)cc2)cc1,,0.36487066,,,
+181346795,*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c(C)c1,,0.35275364,,,
+181691220,*CC(F)(F)C(F)(F)COC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)O*,,0.30107699,,,
+182042962,*C=CC(*)(C)c1ccccc1,,0.37130723,,,
+182803961,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1-c1ccccc1,,0.37664419,,,
+182838821,*C[Si](*)(CCCCC)CCCCC,,0.41744785,,,
+182963487,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4cccc5cccc(C(=O)c6ccc(*)cc6)c45)cc3)cc2)cc1,,0.37806189,,,
+183287787,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nnc(*)o5)cc4)cc3)cc2)cc1,,0.38996204,,,
+183910750,*CC(OC(=O)C(=O)OCC)C(COC(=O)O*)OC(=O)C(=O)OCC,,0.31291135,,,
+184043122,*[Si](*)(CCCCCC)CCCCCC,-11.37918107,,,,
+184129336,*Nc1cc(-c2ccccc2)c(N*)c(-c2ccccc2)c1-c1ccccc1,,0.36779908,,,
+184214887,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(Cc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)cc1)C2=O,,0.37908759,,,
+184273461,*Oc1ccc(OC(=O)CCCCC(*)=O)cc1,,0.3300236,,,
+184399060,*Cc1ccc(CSSS*)cc1,,0.41886249,,,
+184854748,*C1C(=O)N(c2ccccc2C(=O)OC)C(=O)C1*,,0.36145459,0.143,1.070408699,12.24675377
+184918589,*CC#CCOC(=O)CCCCCCCCC(=O)O*,,0.35810319,,,
+185502634,*Nc1ccc(CCCC(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.34680666,,,
+185789282,*CC(*)c1cc(Br)ccc1OCCCCC,,0.41131014,0.1545,,
+185974329,*CC(*)c1cc(C)ccc1F,,,0.171,0.955409279,13.40669452
+186514002,*Oc1ccc(C(=O)OCCCCOC(=O)c2ccc(*)cc2)cc1,,0.34336471,,,
+187577688,*CCCC(CC)CCNC(=O)c1ccc(C(=O)N*)cc1,,0.34121483,,,
+187968183,*CCCN(*)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.3285942,,,
+188178084,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(Cc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)cc3)cc1)C2=O,,0.36659408,,,
+188574710,*Oc1cccc(NC(=O)CCCCCCCC(=O)Nc2ccc(*)cc2)c1,,0.3432777,,,
+188691845,*Nc1c(C)cc(-c2cc(C)c(N*)c(C)c2)cc1C,,0.36477351,,,
+189225250,*C1CCC(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)CC1,,0.36716787,,,
+189385552,*CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32470853,,,
+189585434,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.35716326,,,
+189637201,*CC(*)c1ccc(COC(C)CC)cc1,,0.38400866,,,
+189875275,*C#CC(COS(=O)(=O)c1ccc(C)cc1)=C(*)COS(=O)(=O)c1ccc(C)cc1,,0.37237347,,,
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+193203313,*CCCCOC(=O)c1ccc(C(=O)O*)cc1,,0.34023648,,,
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+193587045,*CC(O)CO*,,0.31201093,,,
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+195032699,*Nc1ccc(-c2ccc(N*)c(Cc3ccccc3)c2)cc1Cc1ccccc1,,0.3464418,,,
+195040498,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)CCC3CCCCC3C2)cc1,,0.387972,,,
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+195349220,*COc1ccc(C(=C(Cl)Cl)c2ccc(O*)cc2)cc1,,0.3737643,,,
+195585477,*C(=O)c1ccc(N(*)CCC)cc1,,0.39207045,,,
+196134048,*CC(*)c1cc(Br)ccc1OCCC(C)C,,0.40859696,0.1674999999999999,,
+196264517,*CCCCCCNC(=O)CCP(CCC(=O)N*)c1ccccc1,9.575432391,,,,
+197075441,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C45CC6CC(CC(c7ccc(*)cc7)(C6)C4)C5)cc3)cc2)cc1,,0.37269141,,,
+197916751,*Oc1ccc(OC(=O)c2cc(OCCCCCOCC3CCCN3c3ccc([N+](=O)[O-])cc3)c(C(*)=O)cc2OCCCCCOCC2CCCN2c2ccc([N+](=O)[O-])cc2)cc1,,0.35296749,,,
+197924325,*CC(*)(C)C(=O)OC1CCCC1,,0.36428861,,,
+198466108,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc(-c3ccccc3)cc2)cc1,,0.35036936,,,
+199188552,*Nc1ccc(C2(N*)C=CC(c3ccc(N)cc3)(c3ccc(N)cc3)C=C2)cc1,,0.36932897,,,
+199261804,*c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(N4C(=O)c5ccc(NC(=O)Nc6ccc(Oc7ccc(NC(=O)Nc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)ccc3ccccc23)cc1,,0.36179389,,,
+199401973,*Oc1ccc(OC(=O)c2ccc(OCCCCCCCCCCOc3ccc(C(*)=O)cc3)cc2)cc1S(=O)(=O)c1ccccc1,,0.35673875,,,
+199573915,*CC(*)c1c(F)c(F)c(OCC(F)(F)C(F)(F)F)c(F)c1F,,0.35026517,,,
+199989730,*c1ccc(Oc2ccc(Oc3ccc(-c4ccc(Oc5ccc(Oc6ccc(C7(*)OC(=O)c8ccccc87)cc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1,,0.38367366,,,
+200483739,*c1cccc(OCCCCCCCCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.35053912,,,
+200513526,*CC#CC#CCOC(=O)c1ccc(C(=O)O*)cc1,,0.37145321,,,
+200916875,*c1cccc(-c2nc3ccc(-c4ccc5nc(*)[nH]c5c4)cc3[nH]2)c1,,0.42946115,,,
+200989241,*N=P(*)(Oc1ccccc1)Oc1ccccc1,,0.40515813,,,
+201251785,*C(=O)N1C(=O)N(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)C2(CCCCC2)C1=O,277.0792131,,,,
+201564281,*Oc1cccc(Oc2ccc(Oc3cccc(OC(=O)c4ccc(C(*)=O)cc4)c3)cc2)c1,,0.35180531,,,
+201596108,*CCCCCCNC(=O)C(CCCCCCCCCCCCC)C(=O)N*,,,0.2925,0.899716416,13.5860206
+201709435,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(Sc9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9)cc8)cc7C6=O)cc5)cc4)c3)cc2)cc1,,0.36404303,,,
+201838282,*CC(CCCCCCCCCC)O*,,0.40374823,,,
+202074426,*Oc1ccc(Oc2ccc(S(=O)c3ccc(Oc4ccc(Oc5cccc(*)n5)cc4)cc3)cc2)cc1,,0.35458448,,,
+202457389,*C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(C)c(N5C(=O)c6ccc(*)cc6C5=O)c3C)C4=O)cc2C)c(C)c1,,0.3862015,,,
+203166993,*CC(*)(C)C(=O)Oc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,,0.34147075,,,
+203328995,*CCCCCCCCCCOCCCCCCCCCCOCCCCCO*,,,0.38525,,
+203569820,*c1cc(*)c(O)c(N=Cc2ccc(F)cc2)c1,,0.37230953,,,
+204188551,*CC(*)c1ccc(Cl)c(Cl)c1,,,0.114,,
+204433294,*C(=O)OC1CC(*)N(C(=O)OCc2ccccc2)C1,,0.33476928,,,
+204583818,*CC(OC)C1(C)C(=O)OC(=O)C1(*)C,,0.31336206,,,
+204710529,*c1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4ccc(-c5cc(*)[nH]n5)cc4)cc3)cc2)cc1,,0.39032537,,,
+204753687,*CCCCCCOC(=O)OCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.35004228,,,
+204849258,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1,,0.36120255,,,
+205078323,*O[Si](*)(C)CCCCCCCCCCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)cc1,,0.36210675,,,
+205238044,*CC(*)(C)C(=O)OCC1(CC)COC1,,0.36219625,,,
+205810542,*Nc1ccc(Cc2ccc(N*)c3ccccc23)c2ccccc12,,0.34615054,,,
+206145001,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.37060642,,,
+206778782,*c1c(C)cc(C(c2cccc(C(F)(F)F)c2)c2cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.42612429,,,
+207198573,*C(*)C(=O)OC(C)(C)CC,136.5678336,,,,
+207258565,*c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(*)ccc2-3)cc1,,0.41767157,0.376,0.786503256,27.96449264
+207627808,*CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(Cc3nc5cc(C(c6ccc7oc(*)nc7c6)(C(F)(F)F)C(F)(F)F)ccc5o3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.36859748,,,
+207945160,*c1cccc(P(=O)(c2ccccc2)c2cccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.37508167,,,
+208376671,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5nnc(*)c6c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c56)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.40028133,,,
+208448147,*CC(*)(C)C(=O)OCc1ccco1,,0.3375562,0.172,1.081813241,12.32614241
+208451383,*OC(COc1ccccc1)CC(*)=O,,0.3399788,,,
+209437861,*CC(CCCCCCCCCCCC)COC(=O)NC(=O)c1ccc(C(=O)NC(=O)O*)cc1,,0.34646463,,,
+210091509,*CCCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4cc(OC)c(O*)c(OC)c4)cc3)cc2)cc1OC,,0.36466644,,,
+210562725,*Oc1ccc(-c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.34119605,,,
+210731746,*Nc1nc(N)c(N)c(N*)n1,,0.31899407,,,
+210803302,*NC(C(*)=O)C(C)C,153.0278775,,,,
+210909359,*CCOCCOP(=O)(N=Nc1ccc(C(=O)c2ccc(N=NP(=O)(O*)OC)cc2)cc1)OC,,0.35159394,,,
+210914084,*CCCCCCCCCCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.35319666,,,
+210989195,*c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N4C(=O)c5ccc(Oc6ccc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7c6)cc5C4=O)cc3)cc2)cc1,,0.37859256,,,
+211760119,*C#Cc1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)cc(*)c3n(CCCCCCCCCCCCCCCC)c12,,0.40884949,,,
+211825763,*OC(*)C,,0.3634429,,,
+212654540,*CC(*)c1ccccc1C(=O)OCCCC,,0.37028116,0.1953333333333333,,
+212760661,*CCCCCC(=O)Nc1ccc(Oc2cccc(NC(=O)CCCCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.33649448,,,
+213054047,*O[Si](O[Si](O[Si](O[Si](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](*)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,,0.4006666,,,
+213771383,*Oc1ccc(Oc2ccc(C(=O)c3cccc(NC(=O)CCCCCCCCC(=O)Nc4cccc(C(=O)c5ccc(*)cc5)c4)c3)cc2)cc1,,0.35474585,,,
+213984999,*c1ccc2c(c1)C(=O)N(c1cc(OCCCCCCCCCCCCCCCC)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,0.37483877,,,
+214162824,*CC/C=C(/*)CCC,,,0.2233333333333333,,
+214279994,*CCCCCCCCCCC(=O)NCCc1ccc(CCNC(=O)CCCCCCCCCCS*)cc1,,0.38077316,0.296,0.962511767,22.76143272
+214573613,*CCC(=O)NCc1c(C)c(C)c(CNC(=O)CCO*)c(C)c1C,,0.336425,,,
+214883571,*c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc(C(c4ccc(Oc5cccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)(C(F)(F)F)C(F)(F)F)cc3)c1)C2=O,,0.37434007,,,
+215105340,*c1c(C)cc(C)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1C,,0.40691826,,,
+215128069,*CCCCCCCCCCNC(=O)CC/C=C/CCC(=O)N*,,,0.3125,0.952363037,18.83632464
+215274198,*C#CC#Cc1ccc(*)s1,49.13696662,,,,
+215595067,*OC(COC(=O)c1ccc(C(*)=O)c2ccccc12)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.353962,,,
+215880524,*Nc1ccc2[nH]c3ccc(N*)cc3c2c1,,0.33036591,,,
+215968936,*c1ccc(-c2sc(-c3ccc(-c4cc(SCCCCCCCC)c(*)s4)cc3)cc2SCCCCCCCC)cc1,,0.46732994,,,
+216165703,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(N)c4)cc3N)cc2)c(N)c1,,0.37345371,,,
+216288111,*C(=O)Nc1cccc(Oc2cccc(Oc3cccc(NC(=O)c4ccc5c(c4)C(=O)N(c4cccc(Oc6cccc(Oc7cccc(N8C(=O)c9ccc(*)cc9C8=O)c7)c6C#N)c4)C5=O)c3)c2C#N)c1,,0.35823538,,,
+216414863,*Nc1cccc([C@](N)(c2ccccc2)c2cccc3ccccc23)c1N*,,0.35839515,,,
+216608930,*CCOC(=O)CCCCCCC(=O)OCCOC(=O)c1ccc(C(=O)O*)cc1,,0.33135087,,,
+216626801,*/C=C/c1ccc(*)c2ccc(CCCCCC)cc12,,,0.339,0.946624284,20.81567785
+216772383,*CC(*)c1ccccc1COCCCC,,0.38677194,0.2096666666666666,0.940569983,11.37399833
+218059466,*/C(=C(/*)c1ccccc1)c1ccccc1,206.5698859,,,,
+218216912,*CCCCOC(=O)OCCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.32834937,,,
+218350404,*CCCCCCCCCOC(=O)CCCCCCCC(=O)O*,3.667443154,,0.294,0.941870155,20.56975581
+219039564,*c1ccc2c(c1)SC1=Nc3cc(-c4ccc5c(c4)N=C4Sc6cc(*)ccc6N=C4N5)ccc3NC1=N2,418.69,,0.506,1.086875784,27.5268485
+219386483,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O)c1ccccc1,,0.37130199,,,
+219718402,*Nc1ccc(CCc2cc(CCc3ccc(N)cc3)cc(CCc3ccc(N*)cc3)c2)cc1,,0.35342866,,,
+219873035,*O[Si](C)(C)O[Si](*)(C)CCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.38755299,,,
+220000766,*CC(*)C(=O)OCC(CC)CCCC,,0.3869788,0.2309999999999999,0.893389668,10.99379023
+220223317,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37640128,,,
+220286370,*CCCCOC(=O)c1ccc([Si](C)(C)c2ccc(C(=O)O*)cc2)cc1,,0.36459187,,,
+221632888,*O[Si](*)(C)CCc1ccc(O)cc1,,0.35484533,,,
+222144803,*Nc1cc2ccc(N*)c3c4cccc5cccc(c(c1)c23)c54,,0.33646603,,,
+222164121,*Nc1cc(NC(=O)c2cccc(C(*)=O)c2)cc(C(=O)OCCOC(=O)C=Cc2ccc(N(C)C)cc2)c1,,0.34211001,,,
+222724508,*CC(*)c1ccccc1C(=O)OCCC,,,0.1929999999999999,,
+223538531,*Nc1cc(NC(=O)c2ccc(-c3ccc(C(*)=O)cc3)cc2)cc(C(=O)OCCOc2ccc(C=CC(=O)c3ccccc3)cc2)c1,,0.34446761,,,
+223648222,*Nc1cc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2cc1N*,,0.34605853,,,
+223739255,*CC(*)(C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,,0.38307246,,,
+223791997,*C(C)C=CC(C)S(*)(=O)=O,33.82674704,,,,
+224878400,*CC(*)(C)C(=O)OC1CCCCCCCCCCC1,,0.37197293,,,
+225113015,*N=P(N=P(N=S(*)(=O)NC)(NC)NC)(NC)NC,,0.34459575,,,
+225199973,*NC1=CC=C(c2ccc(N*)cc2)C(C)(C)[C@@H]1c1ccccc1,,0.35401521,,,
+225304239,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6cccc7c(Oc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cccc67)cc4)C5=O)cc3)cc2)cc1,,0.36000298,,,
+225689380,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccccc3N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37500133,,,
+225811773,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2)cc1,,0.34463445,,,
+226076507,*C1C(=O)N(CCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1*,,0.35053641,,,
+226216876,*Nc1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(N*)c3)c3c2[C@H]2c4ccccc4[C@@H]3c3ccccc32)c1,,0.35943133,,,
+226520604,*CC(*)(C)C(=O)Oc1ccc([N+](=O)[O-])c(C)c1,,0.37079204,,,
+226546629,*NC(CCC(=O)OCCCCC)C(*)=O,,0.35413594,,,
+226561298,*Oc1ccc2ccc(Oc3ccc(C(=Nc4ccc(Oc5ccc(N=C(c6ccccc6)c6ccc(*)cc6)cc5)cc4)c4ccccc4)cc3)cc2c1,,0.38273527,,,
+226567495,*Nc1ccc2c(c1N*)-c1ccccc1C2(CC)CC,,0.35949967,,,
+226643768,*CC(*)CC(C)C(F)(F)F,,,0.148,1.093859396,13.31500903
+226759816,*Nc1c(-c2ccccc2)cc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)c1N*,,0.36364076,,,
+227298587,*CCOCCOC(=O)CCCCCCCC(=O)O*,,0.34727992,,,
+227838325,*Oc1c(Cl)cc(C(c2cc(Cl)c(OC(*)=O)c(Cl)c2)C2CC3CCC2C3)cc1Cl,,0.4079258,,,
+228251537,*Nc1ccc(Cc2ccc(C(CC)c3ccc(Cc4ccc(N*)cc4)cc3)cc2)cc1,,0.35878998,,,
+228252916,*C=Cc1sc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(-c4sc(C=CC5=CC(=C(C#N)C#N)C=C(*)O5)c(CCCCCC)c4CCCCCC)ccc2-3)c(CCCCCC)c1CCCCCC,,0.42087423,,,
+228347866,*CCCCCNC(=O)c1ccc(C(=O)N*)cc1,,0.32982991,,,
+228476998,*c1ccc(C(C#N)(C(=O)O)C(*)(C#N)C(=O)O)cc1,,0.35362996,,,
+228510296,*CCN(CCOC(=O)NCC1(C)CC(NC(=O)O*)CC(C)(C)C1)c1ccc(N=Nc2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)cc1,,0.34069727,,,
+228992973,*c1ccc(N(c2ccc(OC)cc2)c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.40284317,,,
+229505065,*OS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.36351582,,,
+229703472,*C(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc6nc(*)ccc6c5)cc4)cc3)cc2)cc1,,0.38017203,,,
+229766352,*c1ccc2c(c1)C(=O)N(c1ccc(N(C)CCN(C)c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.37991556,,,
+230018905,*Oc1ccc(C(C)(C)c2ccc(Oc3nc(*)nc(Cl)n3)cc2)cc1,,0.36279792,,,
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+230305493,*CCCCCCCCC(=O)NCCCCCOCCCCCNC(=O)CCCO*,,,0.289,0.958044519,16.89480393
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+231066951,*Nc1cc(C)c(C(c2ccccc2)c2cc(C)c(N*)cc2C)cc1C,,0.37754837,,,
+231144775,*Nc1ccc2c(c1)C1(c3ccc(C)cc3-2)c2cc(N)ccc2-c2ccc(N*)cc21,,0.38585396,,,
+231347203,*NCCCN(C)CCCN*,,0.32591931,,,
+231567628,*CC(*)(C)C(=O)OCc1cccs1,,0.35173384,,,
+231654446,*Oc1ccc(S(=O)(=O)c2ccc3cc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(*)cc6)cc5)cc4)ccc3c2)cc1,,0.37364004,,,
+232089797,*Nc1ccc([C@H](C)Cc2cccc(C[C@@H](C)c3ccc(N*)cc3)c2)cc1,,0.35754875,,,
+232335054,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O,,0.38115589,,,
+232528549,*Nc1cc(NC(=O)c2ccc(-c3ccc(C(*)=O)cc3)cc2)cc(-c2nnc(-c3ccccn3)o2)c1,,0.37471715,,,
+232607063,*CCCCCCCCCCCOC(=O)Nc1ccc(NC(=O)OCCCCCCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c(C)c1,,0.36758677,,,
+232782325,*Oc1ccc(N[Se]Nc2ccc(*)cc2)cc1,,0.38958964,,,
+232863145,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc([N+](=O)[O-])cc1C,,0.33326912,,,
+233782359,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(N(c3ccc(C#N)cc3)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.41938162,,,
+233996434,*C(=O)N1C(=O)N(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)C(C)(CC)C1=O,242.6534046,,,,
+234298821,*Nc1ccc(-c2ccc(-c3cc(-c4ccc(N*)cc4)cc(-c4ccc(-c5ccc(C)cc5)cc4)c3)cc2)cc1,,0.35439862,,,
+234298840,*CC(O)CN(*)c1cc(C)c(N=Nc2ccc(C#N)cc2)c(C)c1,,0.38210588,,,
+234377391,*CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,,0.37489895,0.368,0.906986266,23.47308455
+234483624,*C1CC(*)OC(O)O1,136.0523749,,,,
+234538951,*=Nc1cccc(Oc2cccc(Oc3cccc(N=C4OC(=O)c5cc6c(cc54)C(=*)OC6=O)c3)c2)c1,132.5253262,,,,
+234724783,*Nc1ccc2c(c1)-c1cc(N*)ccc1C21c2ccc(N)cc2-c2cc(N)ccc21,,0.38703609,,,
+234741357,*CCCCCCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,,0.34015211,,,
+234747929,*Nc1ccc2c(c1)C(C1c3ccccc3-c3ccccc31)c1cc(N*)ccc1-2,,0.36346408,,,
+235082589,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(*)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1,,0.36352019,,,
+235587729,*c1ccc(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)Cc4ccc(-c5sc(*)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1,,0.37882713,,,
+235628108,*c1ccc(-c2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.40933062,,,
+236163730,*C(=O)N1C(=O)N(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)C(C)=C(C(=O)OCC)C1c1ccc(Cl)cc1,170.3261787,,,,
+236477815,*Nc1cccc(C(=C(c2ccccc2)c2ccccc2)c2cccc(N*)c2)c1,,0.37210124,,,
+236843078,*C(=O)Nc1cc(C(c2cc(C)c(C)c(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc5c(N6C(=O)c7ccc(*)cc7C6=O)cccc35)C4=O)c2)(C(F)(F)F)C(F)(F)F)cc(C)c1C,,0.3730141,,,
+238179937,*Nc1ccc(C)c2c(N*)ccc(C)c12,,0.33933851,,,
+238223157,*C(=O)N(*)c1ccccc1,150.7130657,,,,
+238571886,*Oc1ccc2cc(OC(=O)c3ccc(Oc4ccc(C(*)=O)cc4)cc3)ccc2c1,,0.34998488,,,
+238619204,*C(=O)OCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.33594994,,,
+238841218,*Nc1ccc(C2(c3ccc(N*)cc3[C@]34C[C@@H]5C[C@H](C[C@@H](C5)C3)C4)c3ccccc3-c3ccccc32)c([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1,,0.3538557,,,
+238997456,*OC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(=O)OC3CC4CC(*)CC(C3)O4)cc2)cc1,,0.3395961,,,
+239786978,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5cccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)c5)cc4C3=O)cc2)cc1,,0.35739857,,,
+240082161,*NCCCCCCCCCCCN*,,0.34603548,,,
+240111092,*CC(*)c1ccc(C(C)(O)CCC)cc1,,0.37492289,,,
+240232361,*N=Cc1ccc(-c2ccc(C=Nc3ccc4c(c3)c3cc(*)ccc3n4CCCCCC)s2)s1,95.07860424,,,,
+240796718,*CC(*)(CF)C(=O)OCC,,0.33962658,0.1684999999999999,1.040351207,13.63736539
+241359312,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3Oc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3C(F)(F)F)c(C(F)(F)F)c1)C2=O,,0.38315859,,,
+241371117,*c1ccc2c(c1)Sc1cc(-c3ccc(-c4ccc(*)s4)s3)ccc1N2CCCCCCCCCC,,0.47689077,,,
+241512397,*CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCOc3ccc(C4(c5ccc(O*)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1,,0.35416456,,,
+241814157,*CCCCCCCCCCOC(=O)CCCC(=O)O*,,,0.263,,
+241915001,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.34542529,,,
+242653142,*Cc1cc2cc(C(=O)Nc3ccc(NC(=O)c4cc5cc(*)c(OC(=O)COc6ccc7ccc(=O)oc7c6)cc5oc4=O)cc3)c(=O)oc2cc1OC(=O)COc1ccc2ccc(=O)oc2c1,,0.31935888,,,
+242836460,*CC(*)C(=O)OCCOCC(F)(F)F,,0.33534513,,,
+242840603,*c1ccc2c3ccc(-c4ccc(-c5ccc(-c6ccc(*)s6)c6nccnc56)s4)cc3n(C(CCCCCCCC)CCCCCCCC)c2c1,,0.45544781,,,
+242927288,*CC(*)C(=O)OCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.34363418,,,
+243127357,*Cc1ccccc1CN(CC)c1ccc(/C=C/c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3NC(=O)/C(C#N)=C/c3ccc(/C=C/c4ccc(N(*)CC)cc4)cc3)cc2)cc1,,0.37544351,,,
+243290882,*Nc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(N*)ccc21,,0.38182575,,,
+243418714,*CC(*)(C)C(=O)OCCOc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1,,0.34294351,,,
+243622593,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OC)cc1,,0.33521285,,,
+243711331,*Oc1cc(CCCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.36723846,,,
+243853291,*c1ccc(C(=O)OCCCCCCOC(=O)c2ccc(N3C(=O)CC(SCCOCCSC4CC(=O)N(*)C4=O)C3=O)cc2)cc1,19.42674542,,,,
+243952176,*CCCCCCOC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)O*,,0.3240054,,,
+244278527,*CCCCCCOC(=O)OCCCCCCCCCCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.36332291,,,
+244304146,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)c(C)c3)c3ccccc3-c3ccccc32)cc1C,,0.3968899,,,
+244332189,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(N=Nc3ccc(Br)cc3)c3ccccc23)cc1,,0.36678226,,,
+244803582,*Oc1cc2ccccc2cc1OC(=O)c1ccc(Oc2ccc(C(*)=O)cc2)cc1,,0.35353153,,,
+244913940,*Oc1ccc(C(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.35794829,,,
+245591935,*Oc1cccc(Oc2cccc(NC(=O)c3cc(Oc4ccc(C(=O)O)c(C(=O)Nc5cccc(*)c5)c4)ccc3C(=O)O)c2)c1,,0.32944697,,,
+245779778,*C(=O)C(*)(C)C,105.8292511,,,0.919975664,25.84971423
+246955408,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4cccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(Oc8ccc(C(c9ccc(*)cc9)(C(F)(F)F)C(F)(F)F)cc8)cc7)cc6)cc5)c4)cc3)cc2)cc1,,0.3636083,,,
+247237663,*c1ccc(Oc2ccc(N3C(=O)c4cccc(Oc5cccc6c5C(=O)N(*)C6=O)c4C3=O)cc2)cc1,,0.3708276,,,
+247440971,*NCc1cccc(-c2cccc(C/C=C(/c3ccccc3)c3cc4c(cc3N*)C(C)(C)c3ccccc3-4)c2)c1,,0.36399382,,,
+247441113,*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(Oc4ccc(C5(c6ccc(*)cc6)CC6CCC5C6)cc4)cc3)cc(C(C)(C)C)c2)cc1,,0.37881264,,,
+247473503,*CC(*)C(=O)OCCSCCC#N,,0.38180613,0.1875,1.111901096,13.24819081
+247558689,*CC(*)c1ccc(OP2(OCCOCCOCCOC)=NP(OCCOCCOCCOC)(OCCOCCOCCOC)=NP(OCCOCCOCCOC)(OCCOCCOCCOC)=N2)cc1,,0.35241412,,,
+247866107,*C(=O)Nc1ccc(Oc2ccc(N3C(=O)CC(N4C(=O)c5ccc(*)cc5C4=O)C3=O)cc2)cc1,,0.35047717,,,
+247996319,*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(=O)c1ccccc1,,0.35589429,,,
+248016214,*CC(*)(C)C(=O)OCCc1ccccc1,,0.35596729,0.168,1.048543977,11.43837267
+248038345,*CC(*)(C)C(=O)Oc1c(OC)cc(C=Cc2ccccc2)cc1OC,,0.36033906,,,
+248424742,*Nc1ccc(-c2ccc(N*)c(-c3ccc4ccccc4c3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccc2ccccc2c1,,0.37176001,,,
+248434754,*CCCC(C)CN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34161456,,,
+248544464,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(P(=O)(c5ccccc5)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)c3)C4=O)cc2)cc1,,0.36643788,,,
+249614010,*Nc1ccc(C(c2ccc(NC(=O)c3ccc(-c4ccc(C(*)=O)cc4)cc3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,,0.36288949,,,
+250010482,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8cccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)c8)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.35957001,,,
+250039671,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(S(=O)(=O)c9ccc(Oc%10ccc(N%11C(=O)c%12ccc(*)cc%12C%11=O)cc%10)cc9)cc8)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.36225862,,,
+250587037,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C(c7ccccc7)(c7ccccc7)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.39689903,,,
+251202338,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.34943466,,,
+251297590,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(c3ccccc3)(c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)C(F)(F)F)c1)C2=O,,0.38575647,,,
+252276774,*OC(=O)OCCCCCCCCCCOC(=O)OC1COC2C(*)COC12,,0.34183349,,,
+252299281,*CC(*)C(=O)NC(C)CC,,,0.2259999999999999,0.92947228,12.6370902
+252836035,*c1ccc(Oc2cccc3c(NC(=O)c4ccc(C(c5ccc(C(=O)Nc6cccc7c(Oc8ccc(-c9nnc(*)o9)cc8)cccc67)cc5)(C(F)(F)F)C(F)(F)F)cc4)cccc23)cc1,,0.37104971,,,
+253276168,*CC(*)(C)C(=O)OCC(O)CO,,0.28803561,,,
+253355524,*Nc1cnc(*)s1,,0.41199988,,,
+253518655,*CCC=C(*)CCCCCCC,,0.41315553,,,
+253610686,*c1ccc(-c2ccc3nc(*)cc(-c4ccccc4)c3c2)cc1,,0.41535856,,,
+253726027,*c1ccc(-c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(-c5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)cc4)c3)cc2)cc1,,0.35611323,,,
+254267891,*CCCCSSCCCCO*,,0.41742983,0.199,,
+254408923,*c1cccc(OCCCCCCCCCCOc2cccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.35408719,,,
+254419051,*Nc1ccc(N*)c(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1,,0.35818164,,,
+254630145,*c1ccc2c(c1)C(=O)N(c1ccc(OC(CCCCCC)COc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.36437379,,,
+254694603,*OC(=O)c1cccc(C(=O)OC2CC3CC(*)CC(C2)O3)c1,,0.34862273,,,
+254845509,*CC(*)(C)C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,0.1095,1.49945764,12.31638522
+255108764,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccc(-c5ccc(Oc6ccc(NC(=O)c7ccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6)cc5)cc4)cc3)cc1)C2=O,,0.36084666,,,
+255514575,*C(=O)Nc1cccc(C(=O)c2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5sc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)c(-c6ccccc6)c5-c5ccccc5)cc3)C4=O)c2)c1,,0.39087447,,,
+255574677,*c1ccc(Cc2ccc(NC(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2)cc1,,0.36146511,,,
+255628383,*CC(*)(C#N)C(=O)OCCCC,,0.37262971,0.179,0.98541293,13.85902924
+255934897,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCC)cc1,,0.33648171,,,
+256392827,*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc(NC(=O)c6cc(C(=O)Nc7ccc(Oc8ccc9nc(-c%10ccc([N+](=O)[O-])cc%10)c(*)nc9c8)cc7)cc(N7C(=O)c8ccccc8C7=O)c6)cc5)ccc4nc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1,,0.37884475,,,
+256452381,*Nc1ccc(-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1N*,,0.35367739,,,
+256964530,*C(=O)NC1CCCC(*)O1,,0.32360402,,,
+257055666,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5C(F)(F)F)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(C(F)(F)F)c1)C2=O,,0.37771161,,,
+257349913,*CC(*)c1cc(C(=O)OC)ccc1-c1ccc(OCCCCCCCC)cc1,,0.37587647,,,
+257379568,*c1ccc(N2C(=O)c3ccc(-c4cccc5c4C(=O)N(*)C5=O)cc3C2=O)cc1,,0.37822963,0.233,1.15692241,22.05257254
+257538013,*CC[Si](C)(C)O[Si]1(*)O[Si](C)(C)O[Si](C)(C)O1,,0.44963517,,,
+257696451,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(=O)O*)c1,,0.32102943,,,
+257850952,*Oc1ccc(C(C)=Cc2ccc(OC(=O)OCCCCCOC(*)=O)cc2)cc1,39.38257392,,,,
+258103927,*c1ccc(-c2ccc(N(*)c3ccc(C)cc3)cc2)cc1,,0.44281771,,,
+258160847,*c1cccc(C(=O)Nc2ccc(Oc3ccc(Oc4ccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(-c9cccc%10c9C(=O)N(*)C%10=O)cc8C7=O)c6)cc5)cc4)cc3)cc2)c1,,0.36051806,,,
+258763444,*c1nc2cc3sc(-c4cc(OCCCCCCCCCCCC)c(*)cc4OCCCCCCCCCCCC)nc3cc2s1,,,0.3647499999999999,0.992488687,22.57173018
+258775514,*CC(*)(C)C(=O)OCCCCCCCCCCCCCCCCCC,,0.39721388,0.317,0.861197166,12.32577198
+258956403,*Nc1ccc(-c2ccc(N*)c(-c3ccc(-c4ccccc4)cc3)c2)cc1,,0.34800933,,,
+258994540,*CCN(CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O)c1ccc(N=Nc2ccc(C=O)cc2)cc1,,0.35665131,,,
+258997794,*CCCCCCc1ccc(-c2c(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.40056446,,,
+259074348,*Nc1cc(NC(=O)c2cccc(C(*)=O)c2)cc(C(=O)OCCOc2ccc(C=CC(=O)c3ccccc3)cc2)c1,,0.34041504,,,
+259180745,*CC(*)C(=O)c1ccc(Br)cc1,,0.39504944,,,
+259297341,*Sc1ccc(Sc2ccc(Sc3ccc4c(c3)C(=O)N(N3C(=O)c5cccc(*)c5C3=O)C4=O)cc2)cc1,,0.38796769,,,
+259345713,*Nc1ccc(C(c2ccc(N*)cc2)(C2CCCCC2)C2CCCCC2)cc1,,0.3823599,,,
+259345728,*Oc1ccc(NC(=O)c2cc(C(c3ccc(C(=O)O)c(C(=O)Nc4ccc(Oc5ccc(C(c6ccc(*)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)c3)(C(F)(F)F)C(F)(F)F)ccc2C(=O)O)cc1,,0.34130286,,,
+259439423,*Nc1ccccc1-c1c(N*)cccc1-c1ccccc1-c1ccccc1-c1ccccc1,,0.3650485,,,
+259788945,*CCC1C(=O)N(CCCC)C(=O)C1*,,0.3477642,,,
+259984370,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3ccc4c(c3)C3(CCC(C5=NC(Cc6ccccc6)CO5)(C5=NC(Cc6ccccc6)CO5)CC3)c3cc(*)ccc3-4)ccc1-2,,0.3966168,,,
+260073812,*Oc1cc(CCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.35907903,0.234,1.125159714,19.71902254
+260077968,*Cc1ccc(CO*)cc1,,0.35484206,,,
+260201518,*OC(F)(F)COC(=O)c1cc(OCCCCC)cc(C(=O)OCC(*)(F)F)c1,,0.33975909,,,
+260366998,*CCCCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,0.35659382,,,
+260773607,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.37808348,,,
+260812845,*CC(*)c1ccccc1COCCCCCCCC,,0.38758383,,,
+261071879,*CC(*)c1ccc(C)cc1C,,,0.1856666666666666,0.894079517,12.1318108
+261334701,*Nc1ccc(-c2ccc(-c3c(-c4ccc5ccccc5c4)c(-c4ccc5ccccc5c4)c(N*)c(-c4ccc5ccccc5c4)c3-c3ccc4ccccc4c3)cc2)cc1,,0.37406348,,,
+262074826,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(S(=O)(=O)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.36927526,,,
+262353559,*Nc1ccc(C2(c3ccc(N*)c([C@]45C[C@H]6C[C@H](C[C@H](C6)C4)C5)c3)c3ccccc3-c3ccccc32)cc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,,0.39273082,,,
+262479772,*C(=O)OCC(C)(C)CS(=O)(=O)CC(C)(C)COC(=O)N1CC(C)N(*)CC1C,,0.35492706,,,
+262850499,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(*)c(C)c4Br)c(Br)c3C)cc2)cc1,,0.41845298,,,
+263068772,*C=CCCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCc1ccc2ccc3cccc4ccc1c2c34,,0.37379395,,,
+263087206,*CC(*)(C)C(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(OC)c(Br)c2)cc1,,0.35326079,,,
+263236795,*NCCOCCOCCOCCOCCN*,,0.3235597,,,
+263279017,*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)C(=O)Nc5ccccc54)cc3)c2)cc1,,0.35442058,,,
+263293393,*Oc1ccc2ccc(Oc3ccc(C(=Nc4ccc(N=C(c5ccccc5)c5ccc(*)cc5)cc4)c4ccccc4)cc3)cc2c1,,0.38174047,,,
+264131865,*C(=O)c1ccc(C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(*)s5)cc4)cc3)s2)cc1,,0.37349224,,,
+264402592,*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)c(C(=O)O)cc2C(=O)O)cc1,,0.31854458,,,
+264552260,*Nc1cc(N*)c2cc1N(C)c1cc(C(=O)OC)cc(c1)N(C)c1cc(c(N)cc1N)N(C)c1cc(C(=O)OC)cc(c1)N2C,,0.37551441,,,
+264939963,*CC(*)(CC(=O)Oc1ccc(OCC)cc1)C(=O)Oc1ccc(OCC)cc1,,0.35102684,,,
+265038627,*CCCCCCOCCCCCCOCCCCCO*,-72.01996519,,,,
+265862660,*Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.36689919,0.268,,
+265889946,*Oc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(Oc5cccc(*)n5)cc4)cc3)cc2)cc1,,0.35865674,,,
+265939765,*CCCN*,,,0.354,0.92848585,19.40336561
+266241866,*CC(*)(C)C(=O)OCCCCCCCCCCCC[n+]1ccc(N(C)C)cc1,,0.37084263,,,
+266415058,*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32424675,,,
+266479070,*CCC[Sn](C)(C)CCCOC(=O)C(CCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O*,,0.35896412,,,
+266620737,*Oc1ccc(-c2ccc(OC(=O)Nc3cccc(P(=O)(c4ccccc4)c4cccc(NC(*)=O)c4)c3)cc2)cc1,,0.35820494,,,
+266988735,*CCCCCCOC(=O)OCCCCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.35359242,,,
+267049794,*CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)CCCC(=O)O*,-64.11657159,,,,
+267912832,*CCCCCCCCCCCCn1c(=O)c2cc3c(=O)n(*)c(=O)c3cc2c1=O,73.37639604,,,,
+268323392,*Nc1cc(C)c(Cc2ccc(CCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35627685,,,
+268434909,*Nc1cc(Br)c(N*)c(Br)c1,,0.37180837,,,
+268436916,*CC(CC)S(*)(=O)=O,,0.3604463,,,
+268533943,*O[Si](*)(C)c1c(F)c(F)c(F)c(F)c1F,,0.35719446,,,
+268805413,*c1nc(C)nc(N(CCCCCCN(*)c2ccccc2)c2ccccc2)n1,,0.3854823,0.21,1.056565871,14.20899208
+269136469,*Nc1cccc2cc3cccc(N*)c3c(N)c12,,0.33466725,,,
+269301575,*Nc1cccc(CCc2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)c1,,0.3513212,,,
+269388015,*Oc1ccc(C(c2ccc(OP3(Oc4ccc(C(=O)OCCC)cc4)=NP(Oc4ccc(C(=O)OCCC)cc4)(Oc4ccc(C(=O)OCCC)cc4)=NP(*)(Oc4ccc(C(=O)OCCC)cc4)=N3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35657352,,,
+269527017,*CCN(CCOC(=O)c1cccc(C(=O)O*)c1)c1ccc(N=Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3CC)cc2)cc1,,0.36042586,,,
+270193915,*C=CC(C*)COCC(=O)OCCCCCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.35801119,,,
+270468068,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(S(=O)(=O)c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.36832614,,,
+270662526,*c1ccc(Sc2ccc(-c3nc(-c4cccc(-c5nnc(-c6ccccc6)c(*)n5)n4)nnc3-c3ccccc3)cc2)cc1,419.5781202,,,,
+270794936,*Nc1ccc(-c2ccc(N*)c3ccccc23)c2ccccc12,,0.35345588,,,
+271080458,*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(Sc3ccc(O*)cc3)cc2)c1,,0.3444038,,,
+271082869,*CC(*)C(=O)OCCOC,,0.33856563,,,
+271540328,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(C)(C)CCCCCCCCC(*)(C)C)cc5C4=O)cc3)cc1)C2=O,,0.36399911,,,
+271698010,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3[N+](=O)[O-])cc2)cc1,,0.37040317,,,
+271737793,*c1ccc(Oc2ccc(N3C(=O)CC4C(CC5C(=O)N(*)C(=O)C54)C3=O)cc2)cc1,,0.38077271,,,
+272150874,*CC(*)c1ccc(CCCCCCCCCCCCCCCC)cc1,,0.40149462,0.3409999999999999,0.848617516,12.88977254
+272832139,*CC(*)(C)C(=O)OCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.34243851,,,
+273139332,*c1sc(*)c(OCCCCCCCCCCCCCCCCCCCC)c1C,,,0.3747499999999999,0.90435478,14.34826035
+273204422,*CC(*)c1ccccc1CC,,,0.1843333333333333,0.918485757,13.27096728
+273571217,*N/N=C(\N*)c1c(N)nc2[nH]ncc2c1N,,0.32001736,,,
+273593115,*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2C)c(C)c1,,0.39155142,,,
+273667291,*CC(O)COC(=O)C1CCC(C(=O)OCC(O)COc2ccc(C3(c4ccc(O*)cc4)c4ccccc4-c4ccccc43)cc2)CC1,,0.34780473,,,
+274064100,*Nc1cccc2cc3ccccc3c(N*)c12,,0.34139872,,,
+274098381,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1,,0.37731962,,,
+274614510,*OC(CC(*)=O)C(C)C,-24.82439314,,,,
+275666084,*CC(*)(C)C(=O)OCCCCCCCCOc1ccc(N=Nc2ccc(C3OCC4(CO3)CC3C=CC4C3)cc2)cc1,,0.36026363,,,
+276378650,*CC(*)C(=O)OCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(C)CCCCCC)cc3)cc2)cc1,,0.37426308,,,
+277002638,*CCCCCCCNC(=O)c1ccc(C(=O)N*)cc1,,0.34342057,,,
+277986602,*Oc1ccc(Oc2ccc(C=NCCCCCCCCCCN=Cc3ccc(*)cc3)cc2)cc1,,0.37760079,,,
+278061089,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc6cccc(C(=O)c7ccc(*)cc7)c56)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.38951494,,,
+278123349,*CC(*)C(=O)C1CCCCC1,,,0.204,0.931405406,11.28939719
+278169291,*CCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccccc2)c1,,0.34618661,,,
+278692232,*Oc1ccc(NC(=O)c2ccc3cc(C(=O)Nc4ccc(Oc5ccc(C6(c7ccc(*)cc7)C7CC8CC(C7)CC6C8)cc5)cc4)ccc3c2)cc1,,0.36862142,,,
+278844630,*CCOCCOC(=O)c1cccc(C(=O)O*)c1,,0.33032067,,,
+278926278,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)CCC3CCCCC3C2)cc1,,0.37490919,,,
+279552323,*C(=O)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7cccc8c(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cccc78)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36505048,,,
+279624532,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)cc3)cc2)cc1,,0.38445052,,,
+279990409,*CCNC(=O)CCCCCCCCCCCCCCC(=O)N*,,,0.412,,
+280111011,*Nc1ccc([C@H](C)c2ccc(C(C)c3ccc([C@@H](C)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36122133,,,
+280819340,*Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(N*)cc3)cc2)cc1,,0.39075711,,,
+280901586,*c1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8ccccc8)[nH]c7*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38363841,,,
+281000054,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,,0.37040323,,,
+281136178,*CNC(=O)OCc1ccc(COC(=O)NCc2ccc(C(C)(C)c3ccc(*)o3)o2)o1,,0.33949603,,,
+281150361,*O[Si](C)(C)CC[Si](C)(C)Oc1c(C)cc(-c2cc(C)c(*)c(C)c2)cc1C,,0.40021921,,,
+281517661,*=C=C=C(Cn1c2ccccc2c2ccccc21)C(=*)Cn1c2ccccc2c2ccccc21,,,,1.114657106,12.21503123
+281814625,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)c1)C2=O,,0.35895487,,,
+281920156,*CC(*)C(=O)OCCCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1,,0.34688893,0.2299999999999999,1.092668338,12.97526971
+281967969,*Nc1ccc(C[C@@H](C)c2ccc([C@H](C)Cc3ccc(N*)cc3)cc2)cc1,,0.36054021,,,
+282298315,*O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.43139276,,,
+282747611,*C=CC1CC(*)C2C(=O)N(c3cccc(C)c3)C(=O)C12,,0.39070984,,,
+283523819,*C(C#N)=Cc1cc(OCCCCCCCC)c(C=C(C#N)c2cc(OCCCCCCCC)c(*)cc2OC)cc1OC,,0.39126569,,,
+283582804,*N=P(*)(OCCCC)OCCCC,,0.40534797,,,
+284421147,*C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(-c5cc(C)c(N6C(=O)c7ccc(*)cc7C6=O)c6ccccc56)c5ccccc35)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37733686,,,
+284595179,*CCOC(=O)NCCSCCCCSCCNC(=O)O*,26.25521298,,,,
+285133703,*Nc1ccc2c(c1)[C@H]1c3cc(N*)ccc3[C@@H]2c2c(N)cccc21,,0.38618396,,,
+285241910,*CC(*)(C)C(=O)OCCN(C)c1ccc(N=Nc2ccc(N=Nc3ccc(C#N)cc3)cc2C)cc1,,0.38137962,,,
+285299858,*N[C@@H](O)N[C@@]1(N*)[C@@H](O)N=CNC1(N)N,,0.30799614,,,
+285419416,*CCCCOCC(O)CN(CC(O)CO*)c1ccc(N(C)C)cc1,,0.35989821,,,
+285781116,*Nc1ccccc1C1(c2cc(CC)ccc2N*)CCCCC1,,0.36032585,,,
+286143083,*Nc1cc(-c2c(C)cccc2C)cc(-c2c(C)cccc2C)c1N*,,0.36856174,,,
+286285970,*CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32305957,,,
+286520814,*CC1CC1CO*,-28.98581149,,,,
+286659449,*CC(*)(C)C(=O)OC(C)Oc1ccccc1,31.196908,,,,
+286702486,*Nc1ccc(CC(C)(Cc2ccc(N)cc2)Cc2ccc(N*)cc2)cc1,,0.34821769,,,
+286760389,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccc(C)cc5)cc4)cc3)cc2)cc1,,0.39161329,,,
+286863590,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5nc(-c6ccccn6)nnc5*)cc4)cc3)cc2)cc1,,0.38856425,,,
+286904793,*Nc1ccc(-c2ccc(N*)cc2/C=C/c2ccccc2)cc1,,0.35172909,,,
+286907970,*c1ccc([Si](*)(OCC)OCC)cc1,7.02246836,,,,
+286918876,*CCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,,,0.3455,0.900783398,13.84301628
+287377564,*c1ccc(Oc2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2Br)c(Br)c1,,0.40143862,,,
+287416791,*c1ccc(S(=O)(=O)NCCNS(*)(=O)=O)cc1,7.54081281,,,,
+287463310,*CC(*)C1=NC(C)(C)C(=O)O1,,0.35364772,,,
+287576128,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc(N=Nc3cc(OC)c(N=Nc4ccc([N+](=O)[O-])cc4)cc3OC)c(C)c2)cc1,,0.36102011,,,
+287781923,*/C=C/c1sc(*)c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC,,,0.365,0.900179408,11.69721179
+288191338,*c1cccc(P(C)(=O)c2cccc(N3C(=O)c4ccc(NC(=O)OCCOc5ccc(C(C)(C)c6ccc(OCCOC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.34522255,,,
+288320875,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(-c6cccc(*)n6)cc5C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)c(C(F)(F)F)c1,,0.41115337,,,
+288350972,*OS(=O)(=O)c1cccc(C(=O)c2cccc(S(=O)(=O)Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)c2)c1,,0.36729276,,1.237872849,16.18613012
+288433754,*CC(*)C(=O)Oc1cccc2ccccc12,,0.35105406,0.1644999999999999,1.120527982,12.47317176
+288686571,*Nc1ccc(C(c2ccc(NC(=O)c3cc(C(*)=O)cc(C(C)(C)C)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.3682145,,,
+288758624,*CCN(*)Cc1ccccc1,,0.36209961,,,
+288986880,*CC(COC(=O)CCCCCCCCCCN1C(=O)C2C3C=CC(C3)C2C1=O)O*,,0.34865046,,,
+289030100,*Nc1ccc2c(c1)-c1ccccc1[C@]21c2ccccc2-c2ccc(N*)cc21,,0.38578532,,,
+289287510,*Nc1cc2cc3cc4ccccc4cc3cc2cc1N*,,0.3410204,,,
+289478370,*Oc1cccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4cccc(Oc5nc(*)nc(Sc6ccccc6)n5)c4)cc3)cc2)c1,184.9515774,,,,
+289637508,*CC(*)(CC(=O)OCC1CCCCC1)C(=O)OCC1CCCCC1,,0.3794888,0.19,,
+289857593,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCS(=O)(=O)CCCCC(=O)O*,,,0.322,,
+289881295,*CCCCCCCCCCCCCCS*,,,0.34125,0.881232316,22.79770371
+289972048,*=Cc1ccc(C=C2SC(=S)N(c3ccc(N4C(=O)C(=*)SC4=S)cc3)C2=O)cc1,187.1036635,,,,
+290244345,*Nc1cc(S(=O)(=O)c2ccc(O)c(N*)c2)ccc1O,,0.32138495,,,
+290253227,*Oc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1-c1cccc(C)c1,,0.38116077,,,
+290300802,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)O*,,0.29982078,,,
+290418374,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.35769875,,,
+291057839,*CC(*)(C)C(=O)OCCCCCCN1CCN(c2ccc(N=Nc3ccc(C=C(C#N)C#N)cc3)cc2)CC1,,0.37590326,,,
+291499422,*CC(CCCC)COC(=O)NC(=O)c1cccc(C(=O)NC(=O)O*)c1,,0.32018631,,,
+291719291,*c1ccc(C=Cc2cc(OCC(CC)CCCC)c(C=Cc3ccc(N(*)c4ccccc4)cc3)cc2OC)cc1,,0.39827635,,,
+291812607,*CCN(CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c(C)c1,,0.35280461,,,
+292223018,*CCN(*)C(=O)c1c(F)cc(F)cc1F,,0.34607139,,,
+292271271,*Oc1ccc(S(=O)(=O)c2ccc(Oc3cccc(NC(=O)c4ccc(-c5ccc(C(=O)Nc6cccc(*)c6)c(C)c5)cc4C)c3)cc2)cc1,,0.35676805,,,
+292300264,*Nc1ccc(Nc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.3913528,,,
+292368159,*OC(=O)C=CC(=O)OC1COC2C(*)COC12,,0.31212102,,,
+292543407,*C1C(=O)N(c2c(CC)cccc2CC)C(=O)C1*,,0.41528164,,,
+293023790,*C=Cc1cc(OCCCCCCOc2ccc(C3CCC(CCCCC)CC3)cc2)c(*)cc1OCCCCCCOc1ccc(C2CCC(CCCCC)CC2)cc1,36.67582945,,,,
+293350949,*c1ccc2c(c1)C(=O)N(c1cc(Br)c(Oc3c(Br)cc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3Br)c(Br)c1)C2=O,,0.43086202,,,
+293363115,*/C=C/C(C*)C(C)CC,,,0.203,0.82398912,14.35476002
+293508970,*Nc1ccc(-c2ccc(N*)cc2-c2ccccc2-c2cccc3ccccc23)cc1,,0.35954171,,,
+293562405,*CC(*)(C)C(=O)Oc1cccc(C)c1,,,0.151,1.017456329,12.06665155
+293886642,*c1ccc(*)s1,,0.49681739,,,
+294224638,*CC(*)C(=O)C(C)C,,,0.203,0.886596201,12.63604574
+294498348,*CCOCCOc1ccc(C=C(C)c2ccc(O*)cc2)cc1,,0.36557344,,,
+294894075,*c1ccc(C2(c3ccc(-c4cc(-c5ccccc5)c5cc(C6(c7ccc8nc(*)cc(-c9ccccc9)c8c7)c7ccccc7C(=O)c7ccccc76)ccc5n4)cc3)c3ccccc3-c3ccccc32)cc1,,0.47578212,,,
+295260492,*C[Si](*)(C)CCCOCCOCCOC,,0.36062899,,,
+295275980,*CC(*)(C)C(=O)OCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3cccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,,0.36392032,,,
+295305734,*CC(*)(CC(=O)Oc1ccc(C)cc1)C(=O)Oc1ccc(C)cc1,,,0.182,1.062096371,11.04114403
+295343824,*C(=O)c1ccc(C(=O)N(CCC)c2ccc(Cc3ccc(N(*)CCC)c(C)c3)cc2C)cc1,179.9023847,,,,
+295492872,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4cccc(Oc5ccc(C(C)(C)c6ccc(Oc7cccc8c7C(=O)N(*)C8=O)cc6)cc5)c4C3=O)c(C)c2)cc1C,,0.38770631,,,
+295884244,*Oc1ccc(C(=Nc2ccc(N=C(c3ccccc3)c3ccc(Oc4ccc(C(c5ccccc5)(c5ccccc5)c5ccc(*)cc5)cc4)cc3)cc2)c2ccccc2)cc1,,0.39566509,,,
+296205481,*CCCCCCCCCCOC(=O)CCCCCCC(=O)O*,,0.36776724,0.3445,0.938959785,22.70955044
+296253043,*Nc1ccc(CCCCCc2ccc(N*)cc2)cc1,,0.34584996,,,
+296446712,*CC(*)C(C)=O,,0.34334548,0.179,0.955845655,17.46864859
+296474292,*C(F)(F)C(*)(F)OC(F)(F)C(F)(F)F,,0.3417127,,,
+296559312,*Oc1ccc2ccc(Oc3ccc(C(=O)Nc4ccc(Oc5ccc(C(c6ccc(Oc7ccc(NC(=O)c8ccc(*)cc8)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)cc2c1,,0.3598661,,,
+296620653,*Nc1ccc(Cc2ccc(-c3ccc(N*)cc3)cc2)cc1,,0.34759302,,,
+296709911,*Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)[C@H]2CC[C@H](N*)CC2)cc1,,0.37489694,,,
+296780712,*CCCOCCOCCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,-26.75831261,,,,
+296827731,*CCN(CCOC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)O*)c1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.34971424,,,
+296831504,*Oc1c(C)cc(-c2cc(C)c(OC(=O)CCCCCCCCC(*)=O)c(C)c2)cc1C,,0.36469857,,,
+297020286,*/C=C/c1ccc(*)c(-c2cc(-c3ccccc3)c(OCC(CC)CCCC)cc2OCC(CC)CCCC)c1,,,0.256,0.919376466,12.57676107
+297297701,*C1CCC(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)CC1,,0.37391211,,,
+297474668,*C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C(F)(F)F)cc(N4C(=O)c5ccc(*)cc5C4=O)c2Oc2ccc(C(F)(F)F)cc2)C3=O)c1Oc1ccc(C(F)(F)F)cc1,,0.3682254,,,
+297502549,*NCC1CCCC(CN*)C1,,0.33163789,,,
+297731512,*c1ccc(C(=O)Nc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(NC(=O)c6ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(*)C%10=O)cc8C7=O)cc6)cc5)cc4)cc3)cc2)cc1,,0.35562062,,,
+298003696,*Nc1c(C)c(C)c(C(=O)c2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)c(C)c1C,,0.37168327,,,
+298173145,*NC(=O)NCCCCCCNC(=O)Nc1cccc(*)n1,,0.32647685,,,
+298248052,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5c(c(-c6ccccc6)c(-c6ccc(Oc7ccc(Oc8ccc(-c9c(-c%10ccccc%10)c%10c(c(-c%11ccccc%11)c9-c9ccccc9)C(=O)N(*)C%10=O)cc8)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)C4=O)c3)c2)c1,,0.38817266,,,
+298750870,*c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(C(c3ccc(C#Cc4ccccc4)c(C#Cc4ccccc4)c3)(C(F)(F)F)C(F)(F)F)ccc12,,,0.103,1.001212493,12.31035991
+299097300,*C(*)C(=O)OC,,0.33876364,,,
+299152684,*CCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,,,0.3485,0.93702543,20.75684225
+299349220,*NC(C)C(=O)NCC(*)=O,19.96697332,,,,
+299618473,*C(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc4[nH]c(-c5cccc(-c6nc7cc(*)ccc7[nH]6)c5)nc4c3)cc2)cc1,,0.3655908,,,
+299922696,*c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(-c6nc(-c7ccccc7)[nH]c6*)cc5)cc4)cc3)cc2)cc1,,0.38697246,,,
+300005769,*CC1CC2CC1C1CCC(CN3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)C21,,0.36282504,,,
+300892142,*CCSCCOC(=O)CCC(=O)O*,,0.34112021,,,
+300941372,*CC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2)cc1,,0.34047754,,,
+301268217,*CCCCCCCCCCO*,,,0.353,,
+301459957,*c1cccc(N2C(=O)c3cccc(Oc4c(C)cc(-c5cc(C)c(Oc6cccc7c6C(=O)N(*)C7=O)c(C)c5)cc4C)c3C2=O)c1,,0.38569497,,,
+301935252,*C(=O)OCCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.35218285,,,
+302206099,*Nc1ccc([C@H](CC)C[C@H](C[C@@H](C[C@@H](C)c2ccc(N*)cc2)c2ccc(N)cc2)c2ccc(N)cc2)cc1,,0.36066913,,,
+302309984,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.36551009,,,
+302979803,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34376894,,,
+303176560,*Nc1ccc(C2(c3ccccc3N*)CCCCC2)cc1,,0.35257654,,,
+303191070,*N=P(*)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1,,0.36538573,,,
+303219921,*Nc1ccc(-c2ccc(N*)cc2CCCCc2cc(N)ccc2-c2ccc(N)cc2)cc1,,0.35208407,,,
+303267980,*CCCCCCN(C)C(=O)CCC(=O)N(*)C,,0.34567408,,,
+303343344,*C#Cc1cccc(C#C[SiH2]*)c1,,0.47028838,,,
+303682893,*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.38690449,,,
+303795473,*CCCC(C)(C)CCCNC(=O)c1ccc(C(=O)N*)cc1,,0.34132981,,,
+304139587,*c1ccc(C(C#N)(C(=O)OCC)C(*)(C#N)C(=O)OCC)cc1,,0.38803882,,,
+305079648,*Oc1ccc(SC(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)Sc4ccc(*)cc4)cc3)cc2)cc1,,0.34795585,,,
+305318799,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCC)c(*)cc3CCCCCC)ccc1-2,,0.42097491,0.46,0.85144236,20.23991085
+305819221,*C(=O)c1cc2c(cc1Cl)C(=O)N(c1cc(Cl)cc(N3C(=O)c4cc(*)c(Cl)cc4C3=O)c1)C2=O,,0.39611043,,,
+307030577,*Nc1ccc2c(c1)[C@@H](c1ccccc1)c1c-2ccc(N*)c1-c1ccccc1,,0.36614228,,,
+307396008,*CC(*)OC(=O)CC1CCCC1,,0.3604384,,,
+307817942,*c1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5cccc6c5C(=O)N(*)C6=O)cc4)cc3)cc2)cc1,,0.35768777,,,
+308504449,*CCCCCCCCCCSCCCCCCS*,,,0.3305,0.931588685,28.27457475
+308535213,*CC=CN(C=CCC1CC(=O)N(c2ccc(Cc3ccc(N4C(=O)CC(*)C4=O)cc3)cc2)C1=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36429958,,,
+308745808,*CC1CCC(COC(=O)NCCSCCCCCSCCNC(=O)O*)CC1,77.84678315,,,,
+308992648,*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,,0.32276362,,,
+309072874,*Oc1ccc(C2(c3ccc(OC(*)=O)c(C)c3)CC3CC2C2CCCC32)cc1C,,0.40611726,,,
+309419979,*C(=O)c1ccc2nc(-c3ccc(-c4cnc5cc(*)ccc5n4)cc3)cnc2c1,,0.42198142,,,
+309733373,*OC(=O)c1ccc(CCCCCCc2ccc(C(*)=O)cc2)cc1,,0.36077317,,,
+310196546,*Oc1cccc(NC(=O)CCCCCCCCCC(=O)Nc2ccc(*)cc2)c1,,0.34944602,,,
+310395295,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5nc(-c6ccc(-c7nc(*)c(-c8ccccc8)[nH]7)cc6)[nH]c5-c5ccccc5)cc4)cc3)cc2)cc1,,0.40672617,,,
+310494439,*CC(*)n1ccnc1,,0.35410749,,,
+310611274,*CC(C)COC(=O)c1ccc(C(=O)O*)cc1,,0.3435142,,,
+310843241,*CC(*)C(=O)OCC1(COCC2(COC(=O)C(*)(C)C*)COC(CP(=O)(OCC)OCC)OC2)COC(CP(=O)(OCC)OCC)OC1,,0.34782459,,,
+310898724,*Nc1ccc2ccc3c(N*)c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4ccc1c2c34,,0.38241769,,,
+311037297,*CC(*)(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32611657,,,
+311737289,*Oc1ccc(-c2ccc(Oc3ccc(Oc4cc(Oc5ccc(*)cc5)ccc4CCCCCC)cc3)c3ccccc23)c2ccccc12,,0.37973562,,,
+311750318,*CC(=O)Nc1ccc(Cc2ccc(NC(=O)COc3ccc4ccccc4c3Sc3c(O*)ccc4ccccc34)cc2)cc1,,0.34521945,,,
+312401249,*OC(=O)Oc1ccc2c(c1)Oc1cc(*)ccc1C21c2ccccc2-c2ccccc21,,0.39255677,,,
+312938401,*Nc1ccc(N[Se]*)cc1,,0.39082082,,,
+313210022,*/C=C/CCCCC*,,,0.3143333333333333,0.823772683,18.69881957
+313256095,*Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N*)c(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)cc1,,0.3722511,,,
+313737003,*Oc1ccc(N=Nc2ccc(Cc3ccc(N=Nc4ccc(OC(=O)c5ccc(N=Nc6ccc(C(*)=O)cc6)cc5)cc4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1,,0.36942122,,,
+313765532,*C=CC1CC(*)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)F,,0.35218928,,,
+313831314,*CC(*)C1CCCCC1,,,0.1906666666666666,,
+313842947,*c1ccc(C2(c3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(*)cc(-c8ccccc8)c7c6)ccc5n4)cc3)c3ccccc3-c3ccccc32)cc1,,0.42784564,,,
+313907766,*CCCCCCCCc1nc2cc(-c3ccc4oc(*)nc4c3)ccc2o1,61.93714913,,,,
+313933456,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8cccc9c8C(=O)N(*)C9=O)cc7)cc6)c5C4=O)cc3)c2)cc1,,0.36100204,,,
+314234289,*Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(=S)NC(=O)c4cccc(C(=O)NC(*)=S)c4)c3)cc2)c1,,0.34075834,,,
+314354319,*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(N=Nc2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1,,0.36051644,,,
+314797178,*CC(=O)Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(NC(=O)CN5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N(*)C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc2)cc1,,0.34625008,,,
+314863833,*C=C(*)C(C)(C)C,,0.39086188,,,
+314916411,*Nc1ccc(NC(=O)c2cc(C(=O)O)c(C(*)=O)cc2C(=O)O)cc1,240.3936293,,,,
+315380987,*c1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc(*)oc6c5)cc4o3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.41473896,,,
+315519001,*CCN(*)C(=O)c1ccc(SC(F)(F)F)cc1,,0.36079153,,,
+315538569,*c1ccc(Oc2ccc(-c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3-c3ccccc3)C(=O)N(c3cccc(N5C(=O)c6c(c(-c7ccccc7)c(-c7ccccc7)c(*)c6-c6ccccc6)C5=O)c3)C4=O)cc2)cc1,,0.40245453,,,
+315696598,*CCOCCOC(=O)C(CCC)C(=O)O*,,0.3478015,,,
+316809152,*c1ccc(-c2ccc(-c3cc(-c4ccccc4)c4cc5c(-c6ccccc6)cc(*)nc5cc4n3)cc2)cc1,,0.42319171,,,
+317007708,*CCCCCCCCCCCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.35069342,,,
+317020980,*CC(*)(C)C(=O)OCC[N+](C)(C)CCCCCCC,,0.48837644,,,
+317112247,*/C=C/c1ccc(*)c(-c2cc(OCC(CC)CCCC)c(OCC(CC)CCCC)cc2-c2ccccc2)c1,,,0.196,0.892538398,13.24845393
+317286954,*CC(CC)(CC)CS*,,0.39177135,,,
+317794773,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCC(C)C)cc1,,0.34144884,,,
+317893081,*Nc1c(N*)c2c3ccccc3ccc2c2ccccc12,,0.33765399,,,
+318193611,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc([Si](C)(C)c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.37988388,,,
+318514421,*CC(COCC=C)O*,,0.37390145,,,
+318909763,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3cccc(C(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)c3)cc1)C2=O,,0.35870758,,,
+318923469,*CC(O)COC(=O)CCCCC(=O)OCC(O)COc1ccc(O*)cc1,,0.3223982,,,
+318933021,*c1ccc(C(=O)OCCCCCCCCCCOc2ccc(C=C3CCCCC(=Cc4ccc(OCCCCCCCCCCOC(=O)c5ccc(-c6nnc(*)o6)cc5)cc4)C3=O)cc2)cc1,,0.36697686,,,
+319236312,*C=CC1CC(*)C2C(=O)N(c3cccc(Cl)c3)C(=O)C12,,0.38072604,,,
+319319228,*CCCCCCCCNC(=O)Cc1ccc(CC(=O)N*)cc1,,0.34606066,,,
+320070845,*Nc1ccc(-c2ccc(N*)c(-c3ccc(C(C)(C)C)cc3)c2)cc1,,0.35848188,,,
+321187243,*c1cccc(OCCCCCCCCCOc2cccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.35149035,,,
+321215899,*Oc1ccc(N=CCCCC=Nc2ccc(OC(=O)Nc3cc(NC(*)=O)ccc3C)cc2)cc1,,0.34931445,,,
+321268777,*Nc1ccc(CC(C)(C)NC(=O)CCCCCCCCC(*)=O)cc1,,0.35281212,,,
+321308254,*C1=C(c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(*)cc5)ccc3-4)cc2)C(=O)N(CCCCCCCCCCCC)C1=O,,0.40747116,,,
+321519190,*CCCCCNC(=O)CCCCCCCCOCCCCCCCCC(=O)NCCCCCO*,,,0.267,0.932721325,20.89267331
+321552204,*/C=C/CCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCCCCCCCCCCCCCC,,,0.332,,
+321955140,*NC(CC(*)=O)C(=O)OCCCCCC,0.713924343,,,,
+322065979,*c1ccc(Oc2c(C)cc(C(c3cccnc3)c3cc(C)c(Oc4ccc(N5C(=O)CC(Nc6ccc(NC7CC(=O)N(*)C7=O)cc6)C5=O)cc4)c(C)c3)cc2C)cc1,,0.37995335,,,
+322351570,*OCCOC(=O)CCCCC(=O)OCCOc1nc(-c2ccc(OC)cc2)nc(*)c1-c1ccc(OC)cc1,,0.34860734,,,
+322605911,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.34897667,,,
+323040540,*Nc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(N*)ccc1-2,,0.36646307,,,
+323411656,*Cc1cc(CNC(=O)CCCCC(=O)N*)cc(C(C)(C)C)c1,,0.34360475,,,
+323702728,*Nc1ccc(Cc2ccccc2C(C)(CCCCCCCCC)c2ccccc2Cc2ccc(N*)cc2)cc1,,0.36176304,,,
+324341393,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc5cc(C(=O)c6ccc(*)cc6)ccc5c4)cc3)cc2)cc1,,0.38062816,,,
+324348126,*CC(*)c1ccc(C([Si](C)(C)C)[Si](C)(C)C)cc1,,0.43765265,,,
+324392817,*CCN(*)C(=O)CCCCCCCCCCC,,0.38506928,,,
+324827592,*Oc1cccc(Oc2ccc(N=Cc3ccc(N(c4ccccc4)c4ccc(C=Nc5ccc(*)cc5)cc4)cc3)cc2)c1,,0.38883651,,,
+324904007,*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C2CC3CCC2C3)cc1,,0.37329335,,,
+324919224,*CCCS(=O)(=O)CCCCS(=O)(=O)CCCOC(=O)O*,,0.3533756,,,
+325038822,*Nc1ccc(C(=O)c2ccc(C(=O)c3ccc(Nc4ccc5c(c4)c4cc(*)ccc4n5CC(CC)CCCC)cc3)cc2)cc1,,0.38731405,,,
+325850735,*Nc1ccc(-c2ccc(N*)cc2Cc2ccccc2)c(Cc2ccccc2)c1,,0.34802156,,,
+325853121,*Oc1c(Br)cc(*)cc1Br,,0.44645964,,,
+326740697,*CC(*)(C)C(=O)OCc1cc(F)ccc1F,,0.34376939,,,
+327326654,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)C(C)C)cc3)cc2)cc1,,0.38318487,,,
+327432808,*Oc1ccc(S(=O)(=O)c2ccc(*)cc2)c2ccccc12,,0.36846516,,,
+327552819,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N2C(=O)C(=Cc3c(C)c4ccccc4n3C)C(=C(C)C)C2=O)cc1,-17.96880959,,,,
+327962548,*N=P(*)(OCC(F)(F)F)OCC(F)(F)F,,0.35273936,,,
+328019914,*CC(*)(C)C(=O)OCCCCOc1ccc(OC(=O)c2ccc(OC)c(Br)c2)cc1,,0.35295173,,,
+328180933,*Oc1ccc2c(c1)C(C)(c1ccc(OC(=O)c3cccc(C(*)=O)c3)cc1)CC2(C)C,,0.37445789,,,
+328387168,*Nc1ccccc1C(CC)(c1ccccc1N)c1ccccc1N*,,0.3617022,,,
+328610666,*Nc1ccc(-c2ccc(N*)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,,0.32787588,,,
+328753275,*CCCCNC(=O)CC/C=C/CCC(=O)N*,,,0.258,,
+328792977,*Oc1ccc(C(C)(C)C)cc1Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.38170267,,,
+329116469,*c1nnc(-c2ccc(Oc3ccc(C=Cc4ccc(Oc5ccc(*)c6ccccc56)cc4)cc3)c3ccccc23)o1,,0.38851942,,,
+329479579,*Nc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(N*)cc2)cc1,,0.37080803,,,
+329844440,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.38825862,,,
+330131370,*c1nnc(-c2cc(CCCCCCCCCC)c(-c3sc(-c4nnc(-c5cc(OCCCCCCCC)c(*)cc5OCCCCCCCC)o4)cc3CCCCCCCCCC)s2)o1,,0.40215236,,,
+330131913,*CCCCOC(=O)SSC(=O)O*,-58.94578339,,,,
+330440675,*Nc1ccc(-c2ccc(N*)c(-c3cc(-c4ccc(N)c(-c5ccccc5)c4)ccc3N)c2)cc1-c1ccccc1,,0.35788637,,,
+330874137,*Nc1ccc(C(=O)c2c(C)c(C)c(C(=O)c3ccc(NC(=O)c4ccc(C(*)=O)cc4)cc3)c(C)c2C)cc1,,0.37667535,,,
+330921769,*CCCCCCCCCCCCCCCCCCCCC(*)COCCOCCOCCOCCOCCCCCCCCCCCCCC,,,0.38425,0.882777598,18.64436035
+331019668,*CCCOC(=O)CCCCC(=O)O*,,0.33351251,,,
+331170381,*CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32650351,,,
+331790904,*c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1OCCCCCCOc1ccc(N=Nc3ccc(OCC)cc3)cc1)C2=O,,0.36774153,,,
+333349586,*CCCCNC(=O)CCCCCCCCCC(=O)N*,,,0.3229999999999999,0.965368624,22.50813311
+333365529,*Nc1ccc(-c2c3ccccc3c(-c3ccc(N*)c4ccccc34)c3ccccc23)c2ccccc12,,0.37137106,,,
+333446735,*c1ccc(Oc2ccc(N3C(=O)c4cccc(Oc5cccc(Oc6cccc7c6C(=O)N(*)C7=O)c5)c4C3=O)cc2)cc1,,0.35735202,,,
+333695147,*Nc1ccc(-c2ccc(N*)c(CC)c2)cc1CC,,0.3583446,,,
+334420972,*c1ccc(Oc2ccccc2N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.37092475,,,
+334571792,*CCN(CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O)c1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.36816596,,,
+334621145,*CCCCOC(=O)CCSCCCCCCSCCC(=O)O*,,0.37393849,,,
+334995050,*Nc1cccc(-c2cc(N*)ccc2-c2ccccc2-c2ccccc2-c2ccccc2)c1,,0.35857012,,,
+335146594,*c1ccc(Cc2ccc(N3C(=O)C(C)C(SCCOCCSC4C(=O)N(c5ccc(Cc6ccc(N7C(=O)CC(C)(SCCOCCSC8(C)CC(=O)N(*)C8=O)C7=O)cc6)cc5)C(=O)C4C)C3=O)cc2)cc1,,0.34652308,,,
+335695120,*CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.33962097,,,
+335867964,*c1ccc(-c2sc(-c3cc(SCCCCCCCC)c(*)s3)cc2SCCCCCCCC)cc1,,0.46090001,,,
+336148935,*Oc1ccc(CC(C#N)(C#N)Cc2ccc(*)cc2)cc1,,0.38321738,,,
+336321161,*c1ccc(CC(=O)Nc2ccc(Cc3ccc(NC(=O)Cc4ccc(-c5sc(*)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1,,0.38110654,,,
+336593955,*CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)NCCCCCCNC(=O)O*,,0.31989921,,,
+336780982,*C=Cc1ccc(-c2nnc(-c3ccc(C=Cc4ccc5c(c4)c4cc(*)ccc4n5CCCCCCCC)cc3)n2-c2ccccc2)cc1,,0.39201873,,,
+337489231,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O,,0.40122658,,,
+337825369,*C1CCOC1*,,0.35254503,,,
+338101273,*C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cc(-c5nnc(-c6ccccn6)o5)cc(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)c2)c1,,0.37898693,,,
+338143659,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccc(Oc5ccc(NC(=O)c6ccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)cc5)cc4)cc3)cc1)C2=O,,0.35983591,,,
+338510207,*CC(*)(CC(=O)OC(C)C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,,0.39295654,,,
+339460948,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5cccc(Oc6cccc7c6C(=O)N(*)C7=O)c5C4=O)cc3)cc2)cc1,,0.37064472,,,
+339625856,*CC(*)C(=O)c1ccc(C(C)(C)C)cc1,,0.39538031,0.1915,0.936469283,10.58961551
+340997850,*Nc1cc(NC(=O)c2ccccc2C(*)=O)cc(-c2nnc(-c3ccccn3)o2)c1,,0.37065155,,,
+341123684,*CC(*)N,,0.38223216,,,
+341439882,*Oc1cccc(NC(=O)CCCCCC(=O)Nc2ccc(*)cc2)c1,,0.33827626,,,
+341816925,*CC(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)c2)cc1,,0.34068841,,,
+341876947,*c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.39839006,,,
+342399286,*CCCCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(O*)cc3)c2)cc1,,0.34643018,,,
+342537511,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)C(CC)C(CC)C(*)=O,,0.33445863,,,
+343006911,*N=P(*)(OCCC)OCCCCC,,0.4014852,,,
+343110199,*CCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.3359349,,,
+343123949,*CCC(C)CCC(=O)O*,,,0.253,0.980916925,20.5666232
+343155685,*c1ccc(C=Cc2cc(OCCCCCCCC)c(C=Cc3ccc(N(*)c4ccccc4)cc3)cc2OCCCCCCCC)cc1,,0.3949659,,,
+343326237,*C(=O)c1ccc(Oc2c(C)cc(-c3cc(C)c(Oc4ccc(C(=O)c5ccc6nc(*)ccc6c5)cc4)c(C)c3)cc2C)cc1,,0.39852455,,,
+343355330,*CCCCCCCCCCCCCCc1ccc(-c2c(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.40045418,,,
+343928203,*c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nnc(*)o3)cc2)cc1,,0.44572292,,,
+344065840,*c1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37439693,,,
+344567495,*/C=C/c1cc(CCCCCCCCCCCC)c(*)s1,,,0.368,,
+344756877,*CC(*)c1cc[n+](CCCCCCCC)cc1,,0.39455232,,,
+344924762,*Nc1cc2cc3ccc4cccc5ccc(c2cc1N*)c3c45,,0.33084477,,,
+345530183,*CC(C)(C)C1C(=O)N(CCCC)C(=O)C1*,,0.35157211,,,
+346660576,*c1ccc(-c2ccc(C3(*)CCCCC3)cc2)cc1,,0.39773705,0.252,0.96749891,16.14335044
+346744541,*CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33703091,,,
+346973737,*CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.34227403,0.121,1.608016391,12.86015216
+347210288,*CC(*)(CCC)C(=O)OC,,0.37329926,,,
+347336274,*Oc1cc(Cl)cc(Cl)c1*,,0.39826398,,,
+347361170,*c1ccc(Oc2ccc(C(=O)c3cccc(-c4cccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8cccc(-c9nc(*)c(-c%10ccccc%10)[nH]9)c8)[nH]c7-c7ccccc7)cc6)cc5)c4)c3)cc2)cc1,,0.39209457,,,
+347389709,*CCOC(=O)C=CC(=O)NCCCCCCNC(=O)C=CC(=O)O*,,0.31787399,,,
+348198056,*c1cccc(N2C(=O)c3ccc(Oc4ccc(-c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1,,0.36818227,,,
+348809308,*CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCNC(=O)N*,,,0.39,,
+348992789,*Oc1ccc(Cc2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.35373472,,,
+349443030,*c1ccc(Oc2ccc(C=Cc3ccc(Oc4ccc(-c5nnc(*)o5)cc4)cc3)cc2)cc1,,0.38304714,,,
+349759369,*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3ccc(C(C)(C)c4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1C(C)(C)C,,0.3776416,,,
+350457801,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2)cc1-c1ccccc1,,0.35335103,,,
+350689430,*COC(=O)NCCCCCCNC(=O)OCc1ccc(*)o1,,0.33438968,,,
+350799877,*C1C(=O)N(c2ccccc2C)C(=O)C1*,,0.37508855,,,
+351260510,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(NC(=O)CCCCC(=O)Nc4ccc(O*)cc4)cc3)cc2)cc1,,0.3386598,,,
+351343100,*Oc1ccc(C2(c3ccc(OC(=O)CCCCC(*)=O)cc3)c3cc(N(C)C)ccc3-c3ccc([N+](=O)[O-])cc32)cc1,,0.37034086,,,
+351687879,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C=Nc2ccc(CCCC)cc2)cc1,12.41121342,,,,
+351780192,*CCOCCOC(=O)CCCCCC(=O)O*,,0.33523458,,,
+351892249,*OP(=O)(Oc1ccccc1)Oc1ccc(*)cc1,,0.34040236,,,
+351941026,*c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)C(F)(F)C(F)(F)c3cccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)c3)c1)C2=O,,0.34489828,,,
+351987442,*c1ccc(C(=O)Nc2cccc(S(=O)(=O)c3cccc(NC(=O)c4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)c3)c2)cc1,,0.35305375,,,
+352084468,*c1ccc(Cc2ccc(-c3nc(-c4cccc(-c5nnc(-c6ccccc6)c(*)n5)n4)nnc3-c3ccccc3)cc2)cc1,,0.42632673,,,
+352515684,*Nc1ccc(C2(c3ccc(NC(=O)c4cc(C(*)=O)cc(C(C)(C)C)c4)cc3)c3ccccc3-c3ccccc32)cc1,,0.38327124,,,
+353134698,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4CCCC(C(C)c5ccc(*)cc5)C4)cc3)cc2)cc1,,0.37685467,,,
+353348926,*CC(*)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32579382,,,
+354177724,*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(C2CCC(N4C(=O)c5ccc(*)cc5C4=O)CC2)C3=O)cc1,,0.34499607,,,
+354467864,*C1C(=O)N(c2cc(Br)c(O[Si](C)(C)C)c(Br)c2)C(=O)C1*,,0.45389033,,,
+354485735,*CCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.34817572,,,
+354498686,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc(Cl)cc2)cc1,,0.35330585,,,
+354785060,*Nc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(N)cc3)c3ccc(N*)cc3)cc2)cc1,,0.36875033,,,
+354906741,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O,,,0.328,1.206756714,23.97728876
+355069751,*CC(C)(CCC)COC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.35957248,,,
+355158617,*CC(*)(CC(=O)Oc1ccc(OCCCCCCC)cc1)C(=O)Oc1ccc(OCCCCCCC)cc1,,0.37071795,,,
+355564083,*Oc1ccc(C(=Nc2ccc(N=C(c3ccccc3)c3ccc(Oc4ccc(C(C)(C)c5ccc(*)cc5)cc4)cc3)cc2)c2ccccc2)cc1,,0.38832422,,,
+355968898,*C=CC1CC(*)C(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C,,0.38329687,,,
+356782883,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.35742127,,,
+356916100,*CC(*)(C)c1ccccc1,,,0.164,0.833452729,14.83591616
+356993441,*Oc1ccc(C(c2ccc(OC(=O)c3ccc(C(c4ccc(C(*)=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35824759,,,
+357011061,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c1,,0.34236864,,,
+357282616,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.36712892,,,
+357513605,*CCCCCNC(=O)CCCCCCCC(=O)N*,,,0.301,,
+357543937,*c1ccc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc(P(=O)(c6ccccc6)c6ccc(Oc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5)cc4)cc3C2=O)cc1,,0.37803621,,,
+358009894,*Nc1cc(NC(=O)Nc2ccc(Cc3ccc(NC(*)=O)cc3)cc2)cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1,,0.33952674,,,
+358172536,*C=C(*)CCCOc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1,,0.35841923,,,
+358272082,*Nc1c(N)c(O)c2c(c1N*)CN(O)N=C2,,0.30616083,,,
+359188290,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8ccc(-c9nc(*)c(-c%10ccccc%10)[nH]9)cc8)[nH]c7-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.40281752,,,
+359434805,*Nc1cc2c(cc1N*)[C@@](C)(c1ccccc1)CC2(C)C,,0.36320235,,,
+359677253,*Oc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(*)cc3)cc2)c1,,0.34535991,,,
+359720037,*Nc1ccc(-c2ccc(NC(=O)Cc3cc(C)c(CC(*)=O)cc3C)cc2)cc1,,0.34598025,,,
+359727146,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccc(C(C)(c6ccccc6)c6ccc(Oc7ccc(C(=O)Nc8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc12,,0.36713277,,,
+359769379,*CCCCCCCCCCOC(=O)c1ccccc1C(=O)O*,,0.35843646,,,
+360768817,*CC(*)(C)C(=O)OCCc1ccc(N=Nc2ccccc2)cc1,,0.3677443,,,
+360823125,*CC(*)(C)C(=O)OCc1ccc(Cl)cc1Cl,,0.3570137,,,
+360959263,*CCNC(=O)c1ccc(-c2ccc(O*)cc2)cc1,,0.33621674,,,
+361088502,*CC(*)(C)C(=O)OCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.34900517,,,
+361254383,*Nc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2cccc3ccccc23)c1N*,,0.36562173,,,
+361271652,*N[C@@H]1C=c2c([nH]c(=O)n2N*)=C1N,,0.31105409,,,
+361586466,*CCSSSSCCO*,,0.45802948,,,
+362892396,*Nc1ccc(CCCCc2ccc(N*)cc2)cc1,,0.34199263,,,
+363282083,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.363459,,,
+363316865,*Oc1c(-c2ccccc2)cc(*)cc1-c1cccc(C)c1,,0.40463316,,,
+363884489,*CC(*)OC(=O)c1ccc(C)cc1,,0.36495332,,,
+363982437,*c1cc(CCCCCCCCCCCCCCCCCCC)c(*)s1,,,0.34,,
+364021169,*=C=C=C(COS(=O)(=O)c1ccc(C)cc1)C(=*)COS(=O)(=O)c1ccc(C)cc1,76.80290526,,,,
+364113470,*c1ccc(-c2ccc(-c3nc4ccccc4c(-c4ccc(Oc5ccc(-c6c(-c7ccccc7)c(*)nc7ccccc67)cc5)cc4)c3-c3ccccc3)cc2)cc1,,0.40290946,,,
+364555377,*CC(*)OC(=O)c1ccc(OC(C)=O)cc1,,0.3315989,,,
+364982310,*CC(*)c1ccc(C(=O)OC)cc1,,,0.2033333333333333,1.032355465,13.1037956
+365169812,*Oc1ccc(NC(=C(C#N)C#N)c2cccc(C(Nc3ccc(Oc4ccc(NC(=O)c5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4)cc3)=C(C#N)C#N)c2)cc1,,0.37385099,,,
+366601299,*Oc1cc(CC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.35709462,,,
+366883952,*CCCCOCCCCOCCCCOC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)O*)cc3)cc2)cc1,,0.36331077,,,
+366967975,*Nc1ccc(Cc2ccccc2-c2ccccc2Cc2ccc(N*)cc2)cc1,,0.35066059,,,
+367099874,*CC(*)(C)C(=O)OCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35958926,,,
+367205774,*c1ccc(CCc2ccccc2N2C(=O)C(=O)N(c3ccc(Cc4ccc(N5C(=O)C(=O)N(*)C5=O)cc4)cc3)C2=O)cc1,,0.36251555,,,
+367282123,*OC(C)COC(C)COC(=O)c1ccc(C(*)=O)cc1,,0.3488532,,,
+367646881,*c1ccc(Oc2ccc(-c3cnc4cc(Oc5ccc6nc(*)cnc6c5)ccc4n3)cc2)cc1,,0.40222325,,,
+367702294,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(O)C(O)c4ccc(*)cc4)cc3)cc2)cc1,,0.36610689,,,
+367735151,*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc2)C3=O)cc1,,0.35220439,,,
+367931242,*CCCC(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)cc1,,0.33070211,,,
+367944221,*Cc1cc2cc(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5cc6cc(*)c(OC(=O)COc7ccc8ccc(=O)oc8c7)cc6oc5=O)cc4)cc3)c(=O)oc2cc1OC(=O)COc1ccc2ccc(=O)oc2c1,,0.32641041,,,
+368322688,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.35498117,,,
+368356823,*CC(*)(C)C(=O)OCc1cccc([N+](=O)[O-])c1,,,0.158,1.162628481,11.3618897
+368542881,*C/C=C\C[Si](*)(CCCOc1ccccc1)c1ccccc1,,0.36365457,,,
+368592179,*Nc1ccc(C(*)=O)cc1,92.05287264,,,,
+368595823,*C(=O)NCCCCCCCCCCNC(=O)c1cncc(*)c1,85.60365033,,,,
+368968267,*CCN(CCOC(=O)c1ccc(C(=O)O*)c(OCCC)c1)c1ccc(N=Nc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cc1,,0.35758422,,,
+369213312,*C(=O)OCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.33915819,,,
+369610662,*SCC(=O)NN=Cc1ccc(OCCCCOc2ccc(C=NNC(=O)CSc3nnc(*)s3)cc2)cc1,39.79677892,,,,
+369639389,*CCCCCCN(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N(*)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32766144,,,
+369676731,*Oc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccc(OC(*)=O)cc4)cc3)cc2)c2ccccc2)cc1,,0.38025773,,,
+369827633,*c1cccc(OCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.34661118,,,
+370323439,*Oc1ccc2ccc(Oc3ccc(C(=O)Nc4ccc(Oc5ccc(C(C)(c6ccccc6)c6ccc(Oc7ccc(NC(=O)c8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc2c1,,0.36558414,,,
+370727281,*Nc1ccc([C@@H](CCCCCCCCCCC)c2ccc(C3(c4ccc([C@@H](CCCCCCCCCCC)c5ccc(N*)cc5)cc4)CCCCC3)cc2)cc1,,0.36981871,,,
+370833911,*CCSSSS*,,0.52820271,,,
+370860168,*CCCCOC(=O)NCCCCCCNC(=O)O*,,0.33574734,,,
+370933065,*c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3ccccc3)(c3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)C(F)(F)F)cc1C(C)C)C2=O,,0.43647003,,,
+371139580,*Nc1ccc(-c2c(-c3ccccc3)cc(N*)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.36585327,,,
+371520322,*Oc1ccc(C(*)=O)cc1CCCCC,,0.38126522,,,
+371572748,*CCCC(C)(C)CNC(=O)c1cccc(C(=O)N*)c1,,0.34209913,,,
+371620331,*Oc1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(*)cc4)c3)cc2)cc1,,0.36833963,,,
+371754917,*Oc1ccc(NC(=O)c2cc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc(C(=O)Nc3ccc(*)cc3)c2)cc1,,0.33234463,,,
+371907376,*c1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)n1,,0.34763212,,,
+372375740,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cc(-c5nc6ccccc6s5)cc(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,0.37167468,,,
+372416932,*Nc1ccccc1C(c1ccccc1N)(c1ccccc1N*)C1CCCCC1,,0.37800543,,,
+372715194,*CC(*)OC(=O)c1ccc(OC(=O)CCC)cc1,,0.34765241,0.223,1.086283422,12.25368206
+372897734,*NC(C)CCC(C)(C)CCCNC(=O)c1ccc(C(*)=O)cc1,,0.34899433,,,
+373230047,*Nc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(N*)cc4)c(C)c3)cc2C)cc1,,0.35373723,,,
+373313460,*CC(*)OC(=O)CC,,,0.212,0.995365589,14.03059072
+373751734,*c1ccc(OCCOc2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.34666922,,,
+373797398,*CC(O*)C1CC(F)(F)C1(F)F,,0.35714922,,,
+373831673,*CCCC(=O)N*,,0.31089518,,,
+373885914,*OC(C)CCOC(=O)c1ccc(-c2ccc(C(*)=O)cc2)cc1,,0.34779893,,,
+374709833,*CCCCCCCCCCCCCCOC(=O)CCCCCCC(=O)O*,,,0.3165,0.919731294,21.54233832
+374925730,*CCC(Cl)C(*)Cl,,0.37989615,0.1795,1.273131418,21.78634698
+375189153,*c1ccc(Oc2cccc(NC(=O)c3cc(NC(=O)c4ccc(OC(C)=O)cc4)cc(C(=O)Nc4cccc(Oc5ccc(-c6nnc(*)o6)cc5)c4)c3)c2)cc1,,0.35615516,,,
+375346790,*C(=O)N1C(=S)N(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)C(C)=C(C(=O)OCC)C1c1ccc(OC)cc1OC,,0.37126454,,,
+375374780,*CCCCCCCCCCNC(=O)NCCCCCCCCNC(=O)N*,,,0.366,0.969724413,20.6076312
+375389813,*Oc1ccc(S(=O)c2ccc(Oc3ccc(C=NN=Cc4ccc(*)cc4)cc3)cc2)cc1,,0.37027564,,,
+375630257,*CC=CC(C)S(*)(=O)=O,,0.38544075,,,
+376977834,*CCCCCCCNC(=O)CCCCCCCCCC(=O)N*,,,0.4065,0.940664668,22.70774878
+377086807,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4-c4ccccc4)cc3)cc2)cc1,,0.36142293,,,
+377154393,*CC(*)c1ccccc1COCc1ccccc1,,0.35933332,0.1913333333333333,,
+377318088,*C(=O)c1ccc2c(c1OCc1ccccc1[N+](=O)[O-])C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(*)c(OCc6ccccc6[N+](=O)[O-])c5C4=O)cc3)cc1)C2=O,,0.36920726,,,
+377845835,*c1ccc(-c2nc3cc(Oc4ccc(NC(=O)CN5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N(CC(=O)Nc7ccc(Oc9ccc%10nc(-c%11ccccc%11)c(*)nc%10c9)cc7)C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)ccc3nc2-c2ccccc2)cc1,,0.37297342,,,
+377905218,*CC(=O)NCCCCCCNC(=O)Cc1ccc(O*)cc1,,0.33550386,,,
+378178373,*c1cc(Br)c(OC(=O)c2ccc(C(=O)Oc3c(Br)cc(C4(*)OC(=O)c5ccccc54)cc3Br)cc2)c(Br)c1,,0.41948189,,,
+378689716,*c1cc(C(=O)OCCCC)cc(N2C(=O)CC(C3Cc4ccccc4C4C(=O)N(*)C(=O)C43)C2=O)c1,,0.36220805,,,
+378754763,*CC1(*)CC(=O)N(c2ccccc2)C1=O,,0.34449463,,,
+378853299,*CCCC(C)(C)CNC(=O)CCCCC(=O)N*,,0.33764161,,,
+378871007,*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)NC(=O)c5ccccc54)cc3)cc2)cc1,,0.36254131,,,
+378915192,*CC(*)c1ccc(Cl)c(C)c1,,,0.154,,
+379560437,*CCCCP(C)(=O)CCCNC(=O)CCCCC(=O)N*,,0.3443087,,,
+379965710,*Cc1c(C)c(C)c(CSC(=O)c2ccc(C(=O)S*)cc2)c(C)c1C,127.8963011,,,,
+380076712,*Nc1c(N*)c(-c2cccc(C)c2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1,,0.37986013,,,
+380209354,*OC(F)(C(*)(F)F)C(F)(F)F,,0.30186398,,,
+380408256,*Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5ccc(Cc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.36900902,,,
+380596855,*CCCCCCCCCCOC(=O)CCCCSCCCCC(=O)O*,-22.30064955,,0.27,,
+380971589,*CC(*)(C)C(=O)OCCN(CC)c1ccc(N=Nc2ccc(OC)cc2)c(C)c1,,0.36983634,,,
+381746717,*CCOCCOCCOCCOCCOC(=O)CCSCCC(=O)O*,,0.34968925,,,
+381822281,*CC(*)P(=O)(Oc1ccccc1)N(C)C,,0.35079311,,,
+382336764,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5cccc(*)n5)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,,0.38991023,,,
+382786072,*CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,,0.37944839,0.3994999999999999,0.903805754,22.53219601
+382859238,*C=CCCCCCC*,,0.40896445,,,
+382866074,*CCCCCCCCCCCC(=O)Oc1ccc2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2c1,,0.35050831,,,
+382983445,*CCCCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCCOc3ccc(C(=O)Oc4ccc(O*)cc4)cc3)cc2)cc1,,,0.344,1.061577448,26.55570698
+383068073,*CCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,,,0.3415,0.933437007,18.89913865
+383183030,*c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.35203295,,,
+383211120,*c1cc(CCCCCCCC)c(*)s1,,0.41466296,,,
+383339614,*OC(=O)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OC(=O)c2cccc(C(*)=O)c2)cc1,185.0999075,,,,
+383541557,*Oc1ccc(NC(=O)c2cc(NC(=O)c3ccc(OC(C)=O)cc3)cc(C(=O)Nc3ccc(Oc4ccc(C(C)(C)c5ccc(*)cc5)cc4)cc3)c2)cc1,,0.35350082,,,
+384321860,*CCCCCCCCCCCCCCCCOC(=O)NCCCCCCCCCCNC(=O)O*,,0.3759777,0.275,,
+384392762,*CC(*)c1ccc(Cl)cc1,,,,1.087290755,17.89940277
+384493304,*CCCCCCCCCCCCOC(=O)NCCCCCCCCCCNC(=O)O*,,0.37009027,,,
+384566125,*CC(*)(C)C(=O)OCC(=O)c1cc2cc(Br)ccc2o1,,0.37116728,,,
+384803806,*C(=O)SSCCCCSSC(=O)N1CCN(*)CC1,-3.571974592,,,,
+384892683,*c1cccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccc7ccccc7c6)nc5c4)ccc3nc2-c2ccc3ccccc3c2)c1,,0.42231854,,,
+386257654,*Nc1ccc2c(c1)-c1cc(N*)ccc1C21C=CCCC1,,0.36307465,,,
+386866912,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(C)CC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.34264843,,,
+387403474,*c1ccccc1CCc1ccc(N2C(=O)C(=O)N(c3ccc(C)c(N4C(=O)C(=O)N(*)C4=O)c3)C2=O)cc1,,0.35428927,,,
+387542061,*CCCCCCNC(=O)C(CCCCCCCCCCCCCCC)C(=O)N*,,,0.3369999999999999,0.897093489,15.49662691
+387982325,*Oc1ccc(C2(c3ccc(OC(*)=S)cc3)CCCCC2)cc1,,0.36130705,,,
+388271536,*CC(*)C(=O)OC(C1COC(CP(=O)(OCC)OCC)O1)C(OC(=O)C(*)(C)C*)C1COC(CP(=O)(OCC)OCC)O1,,0.34820034,,,
+388880540,*CC(*)c1cc(C(=O)OCCCCCCCC)ccc1-c1ccc(OCCCCCCCC)cc1,,0.38484165,,,
+389198623,*C(=O)c1ccc(C(=O)N(*)c2ccccc2)cc1,,0.38571493,,,
+389422500,*Nc1ccc(-c2ccc(Cc3ccc(-c4ccc(N*)c(C)c4)cc3)cc2)cc1C,,0.35725789,,,
+389523248,*Cc1cccc(CNC(=O)C=C(C)C(=O)N*)c1,,0.32039136,,,
+390128853,*Nc1ccc(Cc2ccc(N*)c3c2CCCC3)c2c1CCCC2,,0.3574561,,,
+390205045,*Nc1cc2c(cc1N*)[C@]1(C)CC[C@@]2(C)C1,,0.36723278,,,
+390452260,*Oc1cccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4cccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(*)cc7)cc6)cc5)c4)cc3)cc2)c1,,0.3649328,,,
+390786079,*C1C(*)C2CC1C(C(=O)OCCC13CC4CC(CC(C4)C1)C3)C2C(=O)OCCC12CC3CC(CC(C3)C1)C2,,0.37541018,,,
+390859311,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)CC(=O)N(*)C4=S)cc3)c2)cc1,,0.36549422,,,
+391030269,*c1cccc(P(=O)(c2ccccc2)c2cccc(N3C(=O)c4ccc(NC(=O)OCCOc5ccc(C(C)(C)c6ccc(OCCOC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.35076041,,,
+391108347,*Oc1ccc(OC(=O)c2ccc(OC(=O)CCCCCCC(*)=O)cc2)cc1,72.32081554,,,,
+391439612,*CCCCCCC(Cl)C(*)Cl,,0.39133632,,,
+391755316,*C=CC1CC(*)C2C3CCC(C3)C12,,0.38257932,,,
+391808404,*CCCCSSCCCCOCO*,,0.40349527,0.196,,
+391913299,*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(*)=O)cc2)cc1,,0.38338026,,,
+392174026,*CCOCCOC(=O)c1ccc(-n2on2-c2ccc(C(=O)O*)cc2)cc1,15.34426557,,,,
+392422616,*Cc1ccc(OCCOc2ccc(*)c3cccnc23)c2ncccc12,74.04018308,,,,
+392652504,*C=CC1CC(*)C(C#N)(CCCC)C1,,0.40049659,,,
+392657358,*Oc1ccc(NC(=O)c2ccc(OC3COC4C(Oc5ccc(C(=O)Nc6ccc(OC7COC8C(*)COC78)cc6)cc5)COC34)cc2)cc1,,0.34067358,,,
+392908557,*CCCCCCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(O*)cc4)cc3)cc2)cc1,,0.39376633,,,
+393047512,*Oc1ccc(-c2ccc(OC(=O)c3cc(C(=O)OCCCCCC)c(C(*)=O)cc3C(=O)OCCCCCC)cc2)cc1,77.13970172,,,,
+393084491,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3ccc(-c4ccccc4)c(-c4ccccc4)c32)cc1,,0.3805448449999999,,,
+393235817,*/C=C/C(C*)CCC,,,0.218,0.803760264,13.41293322
+393266857,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C=Cc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37112637,,,
+393468444,*CCOCCOC(=O)C(CCCCCCC)C(=O)O*,,0.36413222,,,
+393692859,*C=C(*)CNS(=O)(=O)CC,44.748248,,,,
+393870517,*CC(*)C(=O)c1ccc(CCC)cc1,,0.38559273,,,
+394096295,*CC(*)OC(C)C,,,0.2115,0.839799693,13.44308483
+394475074,*Nc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(N*)cc21,,0.37896533,,,
+394508821,*CC(*)c1ccccc1C(=O)N(C)C,,0.36482534,0.165,,
+394549340,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6c(C)cc(C(C)(C)c7cc(C)c(Oc8ccc9c(c8)C(=O)N(*)C9=O)c(C)c7)cc6C)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.39392877,,,
+395181216,*Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5ccc(NC(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37043305,,,
+395216039,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(-c5ccc(*)c(C(F)(F)F)c5)cc4)cc3C(F)(F)F)cc2)cc1,,0.37643427,,,
+395903864,*Nc1cc2c(cc1C)c1cc(N*)c(N)cc1c1cc(N)c(N)cc12,,0.33922457,,,
+396309311,*C(=O)Nc1c(C)cc(Cc2cc(C)c(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(N=Nc5ccc([N+](=O)[O-])cc5)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)c(C)c2)cc1C,,0.37558403,,,
+396421326,*Oc1ccc(N=Nc2ccc(Cc3ccc(N=Nc4ccc(OC(=O)c5ccc(C(*)=O)cc5)cc4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1,,0.36334689,,,
+396650322,*Nc1ccc(-c2cccc(-c3ccc(N)cc3)c2-c2ccc(N*)cc2)cc1,,0.35433877,,,
+396757724,*c1ccc(C2(c3ccc(-c4cc(-c5ccccc5)c5cc(C6(c7ccc8nc(*)cc(-c9ccccc9)c8c7)c7ccccc7-c7ccccc76)ccc5n4)cc3)c3ccccc3C(=O)c3ccccc32)cc1,,0.46689842,,,
+397033633,*CC(*)c1ccc(O)cc1,,0.34302705,0.2073333333333333,1.026280901,13.91356146
+397580304,*C(*)C(=O)OC1CCCCC1,,0.40121578,,,
+398123321,*Oc1cccc(Oc2ccc3c(=O)n4c5cc(Oc6ccc7c(c6)nc6c8ccc(*)c9cccc(c(=O)n76)c98)ccc5nc4c4cccc2c34)c1,,0.36887196,,,
+398381683,*C(=Cc1cc(OC)c(C=C(c2ccc(F)cc2)c2ccc(-c3ccc(*)cc3)cc2)cc1OC)c1ccc(F)cc1,,0.38687983,,,
+398390180,*CC(*)(CC(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC,,0.38527679,,,
+398441562,*Sc1ccc(Sc2ccc(Sc3ccc(P(=O)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.39970198,,,
+398923440,*C(=O)Nc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6cccc7c(N8C(=O)c9ccc(*)cc9C8=O)cccc67)cc4)C5=O)cc3)n2)cc1,,0.37160155,,,
+400083990,*CCN(*)C(=O)CC,,0.34536777,,,
+400248641,*CC(*)c1ccc(C(=O)OCCN(CC)CC)cc1,,0.36818478,,,
+400445600,*c1ccc(Oc2ccc(-c3ccc(-c4ccc(Oc5ccc(-c6c7c(c(*)c8ccccc68)C(=O)N(c6ccccc6)C7=O)cc5)c(C(F)(F)F)c4)cc3)cc2C(F)(F)F)cc1,,0.38333751,,,
+400718320,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(C#Cc2cc(OC)c(C=Cc3ccncc3)cc2OC)cc1,,0.37047455,,,
+400901906,*Nc1ccc(-c2ccc(NC(=O)c3ccc(NC(=O)c4ccc([Si](C)(C)c5ccc(C(=O)Nc6ccc(C(*)=O)cc6)cc5)cc4)cc3)cc2)cc1,,0.36036817,,,
+400957282,*c1ccc2oc(-c3ccc(Oc4ccc(C(c5ccc(Oc6ccc(-c7nc8cc(C(*)(C(F)(F)F)C(F)(F)F)ccc8o7)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)nc2c1,,0.39360428,,,
+401075968,*CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCO*,,,0.3185,0.954015346,20.96547901
+401205052,*CC(*)c1ccccc1COCCC,,0.37983884,0.217,0.94589921,12.52488555
+401382872,*CC(C)(C)COC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.35328142,,,
+401549184,*N=P(*)(OCCOCCOCCOP1(OCCOCCOC)=NP(OCCOCCOC)(OCCOCCOC)=NP(OCCOCCOC)(OCCOCCOC)=N1)OCCOCCOCCOP1(OCCOCCOC)=NP(OCCOCCOC)(OCCOCCOC)=NP(OCCOCCOC)(OCCOCCOC)=N1,,0.3481788,,,
+401691844,*OP(=O)(Oc1ccccc1)Oc1c(Cl)c(Cl)c(*)c(Cl)c1Cl,,0.35206352,,,
+401918606,*CCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,,0.37324005,0.3495,0.90486422,20.51772176
+402031428,*Nc1cc2cccc3c4cccc5cccc(c(c1N*)c23)c54,,0.33482328,,,
+402151358,*Nc1ccc(C2(c3ccc(NC(=O)c4cc(NC(=O)C56CC7CC(CC(C7)C5)C6)cc(C(*)=O)c4)cc3)c3ccccc3-c3ccccc32)cc1,,0.37622142,,,
+402476752,*CCCCCOC(=O)CCCCC(=O)O*,,0.34417644,,,
+402492102,*CCCCCOc1ccc(CCCNC(=O)CCCCC(=O)NCCCc2ccc(O*)cc2)cc1,28.2211431,,,,
+402626556,*Nc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)ccc2-c2ccc(N*)cc21,,0.38936549,,,
+403135402,*CC(*)(C)C(=O)OCCCCCCCCOC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,47.48888608,,,,
+403160938,*CC(*)(CC(=O)Oc1cccc(C)c1)C(=O)Oc1cccc(C)c1,,,0.165,1.042202692,10.97057697
+404125467,*CCCCCOc1ccc(C=CC(=O)OCCN(CCOC(=O)C=Cc2ccc(O*)cc2)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)cc1,,0.35112235,,,
+404307501,*CCCCCCCCC(=O)N*,,0.36229346,,,
+404342250,*OC(*)CCC,,0.41332049,,,
+404367957,*CC(*)c1ccc(C(=O)CCC)cc1,,0.3914716,,,
+404981014,*C/C=C/COC(=O)CCCCCCCCC(=O)O*,,0.35391939,,,
+404993408,*c1ccc(C(=O)Nc2ccc(Oc3ccc(Oc4ccc(NC(=O)c5ccc(N6C(=O)c7ccc(-c8cccc9c8C(=O)N(*)C9=O)cc7C6=O)cc5)cc4)cc3)cc2)cc1,178.6163373,,,,
+405636435,*CC(O)COc1ccc(O*)cc1,,0.32994295,,,
+406335515,*Sc1ccc(C(=O)CNCCCCCCCCNCC(=O)c2ccc(*)cc2)cc1,,0.37618331,,,
+406786412,*Oc1ccc(N=CC=Nc2ccc(OC(=O)NC3CC(C)(C)CC(C)(CNC(*)=O)C3)cc2)cc1,,0.35659879,,,
+406938063,*Oc1cccc(Oc2ccc(NC(=O)c3cc(NC(=O)c4ccc(OC(C)=O)cc4)cc(C(=O)Nc4ccc(*)cc4)c3)cc2)c1,,0.3367398,,,
+407026307,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2cc(OC)c(N=Nc3ccc([N+](=O)[O-])cc3)cc2OC)cc1,,0.35078628,,,
+407061099,*Nc1cccc(C#Cc2cccc(NC(=O)c3ccc(C(*)=O)cc3C(=O)O)c2)c1,187.6187871,,,,
+407729292,*CCCCCCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.34323595,,,
+407820973,*=C=C=C(CO)C(=*)CO,42.01413885,,,,
+407930180,*CCNC(=O)c1ccc(C(=O)NCCOc2cc3ccccc3cc2O*)cc1,,0.32766581,,,
+408163304,*Oc1ccc(-c2ccc(OC(=O)c3cc(CCCCC)cc(C(*)=O)c3)cc2)cc1,,0.3626875,,,
+408357369,*c1ccc(Oc2cccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.3737891,,,
+408389877,*CNC(=O)OCc1ccc(COCc2ccc(COC(=O)NCc3ccc(C(C)(C)c4ccc(*)o4)o3)o2)o1,,0.34220533,,,
+408594368,*C(=O)OCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.3463228,,,
+409036126,*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36438576,,,
+409348345,*CC(*)C(=O)OCC(F)(F)F,,0.32327677,,,
+410114761,*CCCC(*)(C)CC,,0.39226416,0.2339999999999999,,
+410273784,*C(=O)Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36250129,,,
+410419753,*N=P(*)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32778117,,,
+410618641,*C(=Cc1cc(OC)c(C=C(c2ccccc2)c2ccc3cc(*)ccc3c2)cc1OC)c1ccccc1,,0.39179983,,,
+410876568,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5cc(*)[nH]n5)cc4)cc3)cc2)cc1,,0.3751119,,,
+410915024,*Nc1ccc(C2(c3ccc(N*)cc3)C3=CC[C@@H](C)C=C3c3ccccc32)cc1,,0.37733962,,,
+410978773,*Nc1cc(CCc2ccc(C)c(N*)c2)cc(CCc2cc(N)ccc2C)c1,,0.35220879,,,
+411320818,*c1ccc(C(=O)OCCCCCCCCCOC(=O)c2ccc(-c3nnc(*)s3)cc2)cc1,,0.36418344,,,
+411535293,*Oc1cccc2c(OC(=O)c3ccc(Oc4ccc(C(*)=O)cc4)cc3)cccc12,,0.35298988,,,
+411815101,*c1ccc(Oc2ccc(-c3cnc4ccc(-c5ccc6ncc(*)nc6c5)cc4n3)cc2)cc1,,0.40181263,,,
+411845496,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N=Nc2ccc(OC)cc2)cc1,,0.36656596,,,
+412332648,*c1nnc(-c2cc(CCCCCCCC)c(-c3ccc(-c4sc(-c5nnc(-c6cc(OCCCCCCCC)c(*)cc6OCCCCCCCC)o5)cc4CCCCCCCC)s3)s2)o1,,0.41155198,,,
+413205726,*Nc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(N*)cc3)c2)cc1,,0.35755493,,,
+413548295,*Nc1ccc(CCc2ccc(N*)cc2C)c(C)c1,,0.348463,,,
+414071257,*c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(-c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.3661288,,,
+414579766,*c1ccc(Cc2ccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.38469453,,,
+414690406,*Nc1ccc2ccc3c(N*)ccc4ccc1c2c43,,0.3362207299999999,,,
+414711304,*Nc1ccc(-c2ccccc2)c(-c2c(C(C)C)cccc2C(C)C)c1N*,,0.37421435,,,
+414802450,*CCCCCCOC(=O)C(CCCCCBr)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.37141754,,,
+414910324,*CCCCCC(*)CCCCCCCCCC,,0.40749823,0.406,0.801722522,15.17699114
+415110926,*C(=O)Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7cccc8c(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cccc78)cc5)C6=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.36565404,,,
+415720254,*Nc1ccccc1-c1cccc2c1[C@@H](c1ccccc1N*)c1ccccc1-2,,0.3648408,,,
+416197163,*Nc1ccc(C2(c3ccc(N*)cc3)CCC([C@H]3CC[C@H](CCCCCCC)CC3)CC2)cc1,,0.36335204,,,
+416481975,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cccc8c(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cccc78)cc6C5=O)cc4)cc3)cc2)cc1,,0.36755908,,,
+416508716,*CCCS(*)(=O)=O,,,,1.344229366,19.8097907
+416714038,*CC(*)C(=O)Oc1cccc(C(=O)OCC)c1,,0.33862141,,,
+416985872,*O[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](*)(c2ccccc2)c2ccccc2)cc1,,0.41259945,,,
+417097500,*CC(*)OC(=O)c1ccc(C(C)(C)C)cc1,,0.37755899,,,
+417759199,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6C(F)(F)F)cc5)n4)cc3)c(C(F)(F)F)c1)C2=O,,0.36582624,,,
+417837947,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(-c7nc8ccccc8n7-c7ccc(-n8c(*)nc9ccccc98)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.38408582,,,
+418211347,*C(F)(F)C(*)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.34587055,,,
+418914987,*c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(Sc5ccc(N6C(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)s4)s3)s2)cc1,,0.37866254,,,
+418998358,*C(=O)c1ccc2c(c1)C(=Nc1ccc(Oc3cccc(N=C4OC(=O)c5ccc(*)cc54)c3)cc1)OC2=O,,0.35475052,,,
+419242334,*C(=O)OCCOC(=O)c1ccc(C(=O)OCCOC(=O)N2CCN(*)CC2)cc1,,0.32328072,,,
+419308262,*CC(OC(C)=O)C(CCC(C)(O)C=C)C(*)(C)C,,0.34814459,,,
+419514472,*OP(=O)(Oc1ccc(OC)cc1)Oc1c(C)cc(S(=O)(=O)c2cc(C)c(*)c(C)c2)cc1C,,0.35811043,,,
+419730462,*CCCCCNC(=S)N*,,0.36013805,,,
+420554258,*Oc1cc(OC(=O)c2ccc(C(*)=O)cc2)cc(C(=O)OCCN(CC)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)c1,,0.35790237,,,
+420766140,*CC(*)(C)C(=O)Nc1ccc(C(=O)C=Cc2ccc(OC)cc2)cc1,,0.34238812,,,
+421125375,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCC)cc1,,0.33180261,,,
+421588558,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4C(F)(F)F)cc3)cc1)C2=O,,0.37676658,,,
+421601596,*Nc1ccc2cc1C(C)(C)c1cc(ccc1N*)-c1ccc-2cc1,,0.34941834,,,
+422376704,*Oc1ccc(P(=O)(c2ccccc2)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1,,0.38335836,,,
+423361710,*Cc1ccccc1C[Si](*)(C)C,,0.38237917,,,
+423638166,*Nc1ccc(C2(c3ccc(NC(=O)c4cccc(C(*)=O)c4)cc3)c3ccccc3-c3ccccc32)cc1,,0.37583155,,,
+424246919,*Nc1ccc(-c2c(-c3cccc4ccccc34)c(-c3cccc4ccccc34)c(N*)c(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1,,0.37854395,,,
+424737952,*c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ncc(*)s5)C6=O)cc4C3=O)cc2)cc1,,0.39210701,,,
+425753328,*CC(*)CNc1ccc([N+](=O)[O-])cc1C,,0.38329483,,,
+425876006,*c1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4ccc(-c5nc(-c6ccccc6)[nH]c5*)cc4)cc3)cc2)cc1,,0.39143285,,,
+426452864,*c1ccc2c(c1)c1cc(-c3ccc(-c4ccc(-c5ccc(*)s5)c5nsnc45)s3)ccc1n2C(CCCCCCCC)CCCCCCCC,,0.42372696,,,
+426568984,*CCCCCCCCCNC(=S)N*,,0.38298006,,,
+426591461,*c1ccc(Oc2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)c4)n3)c2)cc1,,0.37263298,,,
+427022128,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3c(F)c(F)c(*)c(F)c3F)ccc1-2,,0.40575377,,,
+427272579,*CC(*)C(=O)OC1CCCCCCCCCCC1,,0.37215946,,,
+427458054,*C=C(*)C,4.023221393,,,,
+427930827,*Oc1cccc(NC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C(*)=O)cc3)cc2)c1,,0.37364181,,,
+428473296,*Oc1ccc2cc(OC(=O)c3ccc(-c4ccc(C(*)=O)cc4)cc3-c3ccccc3)ccc2c1,,0.35771091,,,
+428642513,*CC(*)(C)C(=O)Oc1ccc(C(=O)C=Cc2ccc(OC)c(OC)c2)cc1,,0.34006811,,,
+428683484,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)c(C)c8)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.36727934,,,
+428785387,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)cc1)C2=O,,0.36571693,,,
+428829541,*c1ccc(S(=O)(=O)c2ccc(-n3nc(*)c4ccccc4c3=O)cc2)cc1,,0.39580433,,,
+428976415,*CC(C)(C)COC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.3537359,,,
+429074783,*CC(*)C(=O)OCCOC(F)(C(F)(F)F)C(F)(F)F,-51.63721715,,,,
+429504710,*CC(*)C(=O)OCC(C)O,,0.32197696,,,
+429609044,*Oc1ccc(C2(c3ccc(Oc4ccc5c(=O)n6c7cc(-c8ccc9c(c8)nc8c%10ccc(*)c%11cccc(c(=O)n98)c%11%10)ccc7nc6c6cccc4c56)cc3)c3ccccc3-c3ccccc32)cc1,,0.39512322,,,
+429737042,*c1ccc2oc(-c3ccc(C(c4ccccc4)(c4ccc(-c5nc6cc(C(*)(C(F)(F)F)C(F)(F)F)ccc6o5)cc4)C(F)(F)F)cc3)nc2c1,,0.43912224,,,
+429776664,*CC(*)(C)C(=O)OCCCCOc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1,,0.34886491,,,
+429914397,*CCN(*)C(=O)C12CC3CC(CC(C3)C1)C2,,0.37217616,,,
+430188200,*Nc1ccc(Cc2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.34965429,,,
+430475615,*C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5-c5ccccc5)c(-c5ccccc5)c3)C4=O)cc2)cc1,,0.36622548,,,
+430498669,*c1cc(CCCCCCCCCCCCC)c(*)s1,,,0.40475,0.919023879,16.27456982
+431067883,*CC1CCC(CNC(=O)CCCCCCCCCCC(=O)N*)CC1,,0.35779902,,,
+431258453,*c1cccc(NC(=O)CCCCC(=O)Nc2cccc(S(*)(=O)=O)c2)c1,,0.33687844,,,
+431336110,*/C=C/CCCCCC*,,,0.33,0.820824647,19.38675152
+431834567,*CC(*)(C)C(=O)OCCCCCCc1ccc(N=Nc2ccc(OC(F)(F)F)cc2)cc1,,0.36108556,,,
+431972606,*Nc1nc(-c2csc(N*)n2)cs1,,0.3526676199999999,,,
+432187357,*CCOC(=O)NCCCCCCCCCCNC(=O)O*,,0.34759464,,,
+432686237,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc(NC(=O)c7ccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6)cc5)cc4)cc3)cc1)C2=O,,0.36335093,,,
+432789142,*CC(CO)O*,,0.30841537,,,
+432947505,*C(=O)Nc1ccc(Sc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc6c(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cccc56)cc3)C4=O)cc2)cc1,,0.36055336,,,
+433053026,*C1C(=O)N(CCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1*,,0.34752504,,,
+433063842,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c4)cc3)c(C(F)(F)F)c1)C2=O,,0.37864052,,,
+433310037,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.39496147,,,
+433650150,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nc(-c6ccccn6)nnc5*)cc4)cc3)cc2)cc1,,0.39013945,,,
+433804845,*O[Si](C)(C)C#Cc1ccc(C#C[Si](*)(C)C)cc1,,0.48218278,,,
+433899559,*c1ccc(*)cc1,,0.37523864,,,
+434366510,*CCCCOC(=O)C1CCC(C(=O)O*)CC1,,0.34010105,,,
+434463983,*CNC(=O)CCCCCCCCC(=O)N*,66.76854223,,,,
+434558166,*COC(=O)OCC1OC(OCC)(OCC)OC1*,,0.34101825,,,
+434569704,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC3CC2C2CCCC32)cc1,,0.37807285,,,
+434774652,*CC(*)C(=O)Oc1ccc(C#N)cc1,,0.360284,0.1845,1.134726614,13.89490111
+435176754,*C(=O)Nc1ccc(Oc2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.3555696,0.297,,
+435414001,*Nc1ccc(C(CCCC)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36433979,,,
+436053156,*C=Cc1cccc(OC(=O)CCCCCCCCC(=O)Oc2ccc(-c3nnc(*)s3)cc2)c1,,0.35968354,,,
+436095263,*CC(*)(C)C(=O)OCCN(CCCC)c1ccc(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1,,0.36999432,,,
+436303110,*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)CCC3CCCCC3C2)cc1,,0.37550202,,,
+436672073,*Nc1cc(-c2cc(N*)c(N)c3ccccc23)c2ccccc2c1N,,0.35081452,,,
+438056577,*CCOC(=O)C1CCC(C(=O)OCCOc2ccc(C(C)(C)c3ccc(O*)cc3)cc2)CC1,,0.34686046,,,
+438250982,*Oc1ccc(C2(c3ccc(Oc4ccc(C=CC(=O)c5ccc(*)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.38901721,,,
+439011698,*C(=O)c1cc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc(-c2ccccc2)c1,,0.36655911,,,
+439136445,*O[Si](C)(C)O[Si](C)(C)O[Si](*)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F,,0.38120028,,,
+439339917,*NCC1C2CCC(C2)C1CN*,,0.32950873,,,
+439415309,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8c(C)cc(C(C)(C)c9cc(C)c(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)c(C)c9)cc8C)cc7C6=O)cc5)cc4)CC4CCC3C4)cc2)cc1,,0.38992646,,,
+439660621,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C8(c9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9)CCC(C(C)(C)C)CC8)cc7)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.37744754,,,
+440187772,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCC(C(C)(C)C)CC9)cc8)cc7C6=O)cc5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1,,0.38310066,,,
+440221059,*c1cc(COCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)c(*)s1,59.88076613,,,,
+440284269,*CCCCCC(=O)NCCc1ccc(CCNC(=O)CCCCCS*)cc1,-18.01175462,,,,
+440459365,*CC(*)(C)C(=O)OCCn1c2ccccc2c2cc(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21,,0.37693372,,,
+440694575,*OC1CCC(OC(*)=O)CC1,,0.34419974,,,
+440852775,*Nc1ccc(-c2c(-c3ccccc3)cc(N*)c(-c3ccccc3N)c2N)cc1,,0.35040297,,,
+440867054,*c1ccc(Oc2ccc(-c3csc(N=Cc4ccc(OCCCCCCOc5ccc(C=Nc6nc(*)cs6)cc5)cc4)n3)cc2)cc1,,0.37846605,,,
+440998252,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OC(C)C)cc1,,0.34012388,,,
+441045416,*NNC(=O)CCCCCCCCC(=O)NNC(=S)c1cccc(C(*)=S)c1,32.4414411,,,,
+441295392,*Oc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.42813403,,,
+441800426,*CCCCCC(=O)Oc1ccc2cc(OC(=O)CCCCCn3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)ccc2c1,-10.30414379,,,,
+441855685,*CCCNC(=O)C(Cc1ccccc1)NC(=O)CCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCCCOCCOCCO*,,0.35141201,,,
+441924430,*CCCCCCCCCC#CC#CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,,,0.307,,
+442093631,*CCCCCCCCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2)cc1,,0.36467261,,,
+442452634,*CC(*)(C)C(=O)OCCBr,,0.37763347,0.128,1.475127343,15.26731429
+442573599,*c1ccc(-c2sc(-c3cc(SCCCCCCCCCCCC)c(*)s3)cc2SCCCCCCCCCCCC)cc1,,0.43658652,0.349,,
+442588281,*c1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(S(*)(=O)=O)cc2)cc1,,0.35570555,,,
+442933041,*/C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(C(F)(F)F)cc2)c1,,,0.184,0.956021414,17.81147708
+443073633,*c1ccc(-c2ccc(-c3cc(-c4ccccc4)c4cc5nc(*)cc(-c6ccccc6)c5cc4n3)cc2)cc1,,0.44606667,,,
+443095393,*c1cc(CCOc2ccc(N=Nc3ccc(C#N)cc3)cc2)c(*)s1,,0.38587992,,,
+443473345,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(c4cc(C)c(*)c(C)c4)(C(F)(F)F)C(F)(F)F)cc3C)cc2C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c1,,0.37988372,,,
+444454370,*NC(CCC(=O)OCc1ccc(F)cc1)C(*)=O,,0.32718673,,,
+444535836,*CCOC(=O)C1CCC(C(=O)OCCOc2ccc(C3(c4ccc(O*)cc4)c4ccccc4-c4ccccc43)cc2)CC1,,0.35566835,,,
+445398297,*CC(*)c1ccccc1C(=O)Oc1ccccc1,,0.3593053,0.1693333333333333,,
+445451403,*Nc1ccc(-c2ccccc2-c2ccc(N*)cc2)cc1,,0.35240294,,,
+445559767,*c1cc(OCCCCCCCCCCCC)c(*)cc1O,,,0.309,0.933849439,17.49332984
+445698643,*Oc1ccc(N=Nc2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.3780172,,,
+445846164,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)CCc3ccccc32)cc1,,0.36800149,,,
+445938720,*c1ccc(Oc2cccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(=O)N(c3cccc(Oc4ccc(-c6nnc(*)o6)cc4)c3)C5=O)c2)cc1,,0.37441485,,,
+446207313,*Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N*)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.37411616,,,
+446600296,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,,0.35092558,,,
+447303285,*CC(*)OC(=O)CCCC(=O)c1ccc(C)cc1,,0.34755673,,,
+447418869,*Oc1cc(C(C)(C)c2ccccc2)c(OC(=O)c2ccc(C(*)=O)cc2)cc1C(C)(C)c1ccccc1,,0.38707826,,,
+447438744,*C1CCC(CC2CCC(N3C(=O)C4C5C=CC(C6C(=O)N(*)C(=O)C56)C4C3=O)C(C)C2)CC1C,,0.38852364,,,
+447444897,*CCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccc(Cl)cc2)c1,,0.35121745,,,
+447477268,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37436742,,,
+447614903,*C=Cc1cc(OCCCCCCCC)c(*)cc1OC,,0.38882132,,,
+447641645,*c1ccc(-c2nnc(-c3cccc(-c4nnc(*)n4-c4ccccc4)c3)n2-c2ccccc2)cc1,,,0.389,1.089021523,24.31804369
+447643667,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.3511763,,,
+447646076,*Oc1c(Br)cc(C(C)(CCC(=O)O)c2cc(Br)c(OC(=O)c3cccc(C(*)=O)c3)c(Br)c2)cc1Br,175.2273279,,,,
+447692460,*C=Cc1cc(C=Cc2ccc(OCCC(C)CCCC(C)C)cc2)c(*)cc1C=Cc1ccc(OCCC(C)CCCC(C)C)cc1,2.868925186,,,,
+447769500,*CCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)N*,,0.35917869,0.3545,0.973061223,17.68935554
+448340777,*CCCCCCCCCCCCC(=O)N*,,0.37800644,0.33,,
+449447335,*Nc1ccc(C(c2ccc(C)cc2)c2ccc(N*)cc2)cc1,,0.35885814,,,
+450028530,*C1C2CC(=CC)C(C2)C1*,,0.42130953,,,
+450668833,*CCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(O*)c(OC)c3)cc2)cc1OC,,0.36288885,,,
+450754739,*CCCCCCCCCCCOC(=O)c1cc(OCCCCCCCCOc2ccc(N=Nc3ccc(OC)cc3)cc2)cc(C(=O)OCCCCCCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c1,,0.36775362,,,
+450878191,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(Oc8ccc(-c9c(-c%10ccccc%10)c(-c%10ccccc%10)c(*)c(-c%10ccccc%10)c9-c9ccccc9)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)cc5C4=O)cc3)cc1)C2=O,,0.4007298999999999,,,
+453918545,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3cc(-c4ccc(OC)cc4)cc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)n3)cc1)C2=O,,0.38734029,,,
+454048621,*Nc1ccc(/C=C/c2ccc3cc(/C=C/c4ccc(N*)cc4)ccc3c2)cc1,,0.35285493,,,
+454723677,*Oc1ccc(C(=O)Oc2ccc(Cc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(C(*)=O)cc5)cc4)cc3)cc2)cc1,88.16409459,,,,
+454925520,*Oc1ccc(-c2ccc(OC(=O)c3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(C(*)=O)cc5)cc4)cc3)cc2)cc1,213.4133554,,,,
+454931454,*Nc1cccc(-c2cc(-c3cccc(C)c3)c(-c3cccc(C)c3)c(-c3cccc(C)c3)c2-c2cccc(C)c2)c1N*,,0.37902645,,,
+455272434,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc(C=Cc3nc4ccc([N+](=O)[O-])cc4n3CC)cc2)cc1,,0.35619794,,,
+455575558,*Nc1ccc(-c2ccc(-c3ccc(N*)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,,0.3636002,,,
+455581331,*c1cc(OCCCCCCCCCC)c(*)cc1OCCCCCCCCCC,5.423112055,,0.256,,
+455634892,*C(*)C(=O)OCC,,0.36012778,,,
+455687362,*CC(*)C(=O)OCc1ccccc1,,0.34659314,0.1985,1.072100095,13.15993394
+455760856,*c1ccc(OCCCCCCCCCOc2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,47.98864595,,,,
+455774790,*c1cccc(Oc2ccc(C#N)c(Oc3cccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1,,0.36294968,,,
+455931063,*CC(*)Cc1cccc(C)c1,,0.38592652,,,
+456072913,*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.37265926,,,
+456108334,*CC(*)OC(=O)CCCCCCCCCCCCCCCCCCCCC,,,0.371,0.858583325,13.69025537
+456414718,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3ccc4c(c3)C3(CCC(C5=NC(c6ccccc6)CO5)(C5=NC(c6ccccc6)CO5)CC3)c3cc(*)ccc3-4)ccc1-2,,0.40565042,,,
+457126750,*Oc1ccc(S(=O)(=O)N(C)CCCCN(C)S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.35574227,,,
+457390290,*CC(OCCCC)C1C(=O)OC(=O)C1*,,0.32628739,,,
+457518738,*CCN(CCCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,-32.25789051,,,,
+457660714,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1-c1ccccc1,,0.36405434,,,
+458141446,*CC(*)C(=O)OCCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.34948224,,,
+458250694,*CCCC(=O)Nc1ccc(Oc2cccc(NC(=O)CCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.33380775,,,
+458811601,*CCCCCCNC(=O)CCCCCCCCCCC(=O)N*,,0.36402987,,,
+459396662,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc2)cc1,,0.35031608,,,
+459959706,*c1cccc(C(=O)c2c(C)cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2C)c1,,0.39121654,,,
+459974276,*CC(*)C(=O)OC(C)CCC(CC)CCCC,,,0.212,0.861701744,10.36326711
+460632304,*Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(=S)NC(=O)CCCCC(=O)NC(*)=S)c3)cc2)c1,,0.33577195,,,
+461284204,*c1cc(CCCCBr)c(*)s1,,0.44837181,,,
+461293601,*CCC1C(=O)N(c2ccc(N(C)C)cc2)C(=O)C1*,,0.36050178,,,
+461562711,*CC(*)c1ccccc1COCCc1ccccc1,,0.36290546,0.1883333333333333,,
+461922685,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(c4cc(C)c(*)c(C)c4)(C(F)(F)F)C(F)(F)F)cc3C)cc2C(OC)(C(F)(F)F)C(F)(F)F)c(C(OC)(C(F)(F)F)C(F)(F)F)c1,,0.37962717,,,
+462593659,*CCN(*)CC,,0.38450677,,,
+462771322,*Nc1ccc(Cc2ccc(NC(=O)c3cc(NC(=O)C(CC(C)C)N4C(=O)c5ccccc5C4=O)cc(C(*)=O)c3)cc2)cc1,36.87047274,,,,
+462814038,*CCOCC(=O)O*,,0.31811694,,,
+462826166,*c1ccc(C(=O)OCCCCCCCCCCCCOC(=O)c2ccc(-c3nnc(*)s3)cc2)cc1,,0.36737797,,,
+462869039,*CC(*)(C)C(=O)OCCOC,,,0.1815,1.033359022,13.61871523
+463127063,*C(=O)OCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.3374244,,,
+463296831,*CCOc1ccc(S(=O)(=O)c2ccc(OCCOP(=O)(O*)Oc3ccc(OC)cc3)cc2)cc1,,0.3433683,,,
+463338969,*c1sc(*)c2c1OCC(CCCCCCCCCCCCCCCC)O2,,,0.44475,0.968871976,15.08786185
+463490376,*OC(c1ccco1)C(OC(=O)Nc1ccc(Cc2ccc(NC(*)=O)cc2)cc1)c1ccco1,,0.35498307,,,
+463727468,*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)F,,0.31340132,,,
+463770035,*C(C)=C(*)[Si](C)(C)CCCCCC,,0.38363595,,,
+464374325,*CCCCCCC(=O)O*,,0.35774831,,,
+465735962,*CCC1CCCC1*,,,0.2863333333333333,,
+466297996,*C(=O)c1cc2c(cc1Cl)C(=O)N(c1cc(N3C(=O)c4cc(*)c(Cl)cc4C3=O)cc(C(F)(F)F)c1)C2=O,,0.39475422,,,
+466352320,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCCOCCOCC)cc1,,0.34219261,,,
+466488035,*c1ccc(Oc2c(C)cc(C(c3cccnc3)c3cc(C)c(Oc4ccc(N5C(=O)CC(Nc6cccc(NC7CC(=O)N(*)C7=O)c6)C5=O)cc4)c(C)c3)cc2C)cc1,,0.3838921,,,
+466577746,*O[Si](C)(C)c1cc(OCCOCc2ccccc2)c([Si](*)(C)C)cc1OCCOCc1ccccc1,,0.37480731,,,
+467415058,*NNc1ccc2ccccc2c1-c1c(NN*)ccc2ccccc12,,0.36169901,,,
+467619338,*CC(C)C=C(*)C,,0.40607353,,,
+467841477,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(OCCCCCCOc4ccc(/C=C/c5ccc(F)cc5)cc4)c3)cc1OCCCCCCOc1ccc(/C=C/c3ccc(F)cc3)cc1)C2=O,,0.36418165,,,
+467957331,*C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc6c(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cccc56)cc3)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.36021287,,,
+468123146,*COc1ccc(C(c2ccc(OCC3(*)COC3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.34907081,,,
+468202587,*c1cccc(NC(=O)c2ccc(OCCOCCOCCOCCOCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)c1,,0.34535507,,,
+468435322,*C=Cc1sc(-c2ccc(-c3ccc(-c4ccc(-c5sc(C=CC6=CC(=C(C#N)C#N)C=C(*)O6)c(CCCCCC)c5CCCCCC)s4)s3)s2)c(CCCCCC)c1CCCCCC,,0.42429336,,,
+468647784,*Nc1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(C(*)=O)cc3)cc2)cc1C(=O)OCCCCCCCCCCCCCC,,0.35650224,,,
+469117883,*CCCCCCOC(=O)OCCCCCCOC(=O)OCCCCCCOc1ccc(-c2ccc(O*)cc2)cc1,,0.35478647,0.329,,
+469170848,*COC(=O)OCC1OC(OCC)OC1*,,0.32726581,,,
+469302506,*c1cccc(C(=O)Nc2ccc(Oc3cccc(Oc4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(-c8cccc9c8C(=O)N(*)C9=O)cc7C6=O)c5)cc4)c3)cc2)c1,,0.34972728,,,
+469358545,*Nc1ccc(N*)c2c3ccc(cc3)c12,,0.33588692,,,
+469373885,*C=CC1CC(*)C(C(=O)OCCNC(C)(C)C)C1,,0.37778417,,,
+469522235,*Nc1cccc(-c2cc(-c3cccc(N)c3)cc(-c3cccc(N*)c3)c2)c1,,0.34659743,,,
+469762118,*CC(*)CCCCCCCCCC,,0.40334594,0.33575,0.799124975,11.10583978
+470248513,*CC(*)C(=O)OCCSCC,,0.38932692,0.2175,1.065268296,14.51100233
+470644305,*CC(*)C,,,0.2445,0.77629912,15.63619856
+470882237,*CC(*)(C)C(=O)OCC,,,0.1699999999999999,0.90836326,13.61883804
+471167389,*C(=O)Oc1c(C)cc(C(c2cc(C)c(OC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(-c5cc(C)c(N6C(=O)c7ccc(*)cc7C6=O)c(C)c5)cc3C)C4=O)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C,,0.39965257,,,
+471229336,*CCCCCCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.35885044,,,
+471232533,*c1ccc(C(C#N)(C(=O)OCC(C)C)C(*)(C#N)C(=O)OCC(C)C)cc1,,0.40104325,,,
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+471856670,*C=C(*)c1cc(C(F)(F)F)sc1C(F)(F)F,54.57900551,,,,
+471964961,*c1ccc(Cc2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1,,,,1.232934348,29.70086573
+472043812,*C(=O)Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8c7)cc5)C6=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.36278753,,,
+472240930,*CC1CC2CC1C1CCC(CN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)C21,,0.36457594,,,
+472323951,*CC(CC)(CC)COC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.3477811,,,
+472677846,*CC(C)(C)CS(*)(=O)=O,,0.36380251,,1.140781369,16.55092442
+472726378,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCCCCCC)c(*)cc3CCCCCCCCCC)ccc1-2,,,0.216,0.807377101,18.38442171
+472812489,*OC1C(COC(C)=O)OC(*)C(OC(C)=O)C1OC(C)=O,,0.33034582,,,
+473402909,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCC(C(C)(C)C)CC9)cc8)cc7C6=O)cc5)cc4)CC4CC3C3CCCC43)cc2)cc1,,0.37929885,,,
+473547925,*Oc1ccc(NC(=O)C=CC(=O)NNC(=O)C=CC(=O)Nc2ccc(OC(=O)C=CC(=O)NNC(=O)C=CC(*)=O)cc2)cc1,,0.3061006,,,
+473567594,*Oc1ccc(C(C)(C)c2ccc(OP3(Oc4ccc(C(=O)OC)cc4)=NP(Oc4ccc(C(=O)OC)cc4)(Oc4ccc(C(=O)OC)cc4)=NP(*)(Oc4ccc(C(=O)OC)cc4)=N3)cc2)cc1,,0.34690701,,,
+473657934,*Nc1ccc([C@@H]2C=C[C@@](N*)(c3ccccc3-c3ccc4ccccc4c3)C=C2c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1,,0.37203518,,,
+474558626,*NCCCc1c2ccccc2c(N*)c2ccccc12,,0.33990323,,,
+475124319,*CC(*)(C)C(=O)Oc1ccc(C#N)cc1,,0.36105716,0.1345,1.058985756,12.9825722
+475611696,*Nc1ccc(C(CCC(CCC(c2ccc(N)cc2)c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N*)cc2)c2ccc(N)cc2)cc1,,0.35622218,,,
+475921569,*CC(*)c1c([2H])c([2H])c([2H])c([2H])c1[2H],,0.39369072,,0.923679332,14.83081456
+476061574,*CC(*)(CC(=O)OCCCC)C(=O)OCCCC,,0.37326705,0.2249999999999999,0.96210565,10.50145976
+476584063,*c1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cc5ccc(N6C(=O)c7ccc(C(=O)Nc8ccc(Oc9ccc(C%10(*)NC(=O)c%11ccccc%11%10)cc9)cc8)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.36522559,,,
+476711294,*CC(*)(C)C(=O)Oc1ccc2c(c1)CCC2,,0.36609405,,,
+476733840,*CCCCCCOC(=O)C1CC(=O)C(C(=O)O*)CC1=O,-36.66445232,,,,
+477018729,*CCOc1ccc(S(=O)(=O)c2ccc(OCCOP(=O)(O*)Oc3ccccc3)cc2)cc1,,0.34320859,,,
+477055088,*c1cc(SCCCCCCCCCCCC)c(*)s1,,0.41856492,,,
+477209068,*CCc1ccc(*)c(C#N)c1,,0.39093091,,,
+477797468,*CC(*)(C)C(=O)OCC[N+](=O)[O-],,,0.1895,1.159740176,14.1297443
+477893372,*CC(*)C1CCCCC1C,,0.40280956,,,
+478096853,*CC(=O)OCCCCCCOC(=O)Cn1c(=O)c2cc3c(=O)n(*)c(=O)c3cc2c1=O,55.49864746,,,,
+478367903,*c1ccc(NC2CC(=O)N(c3ccc(-c4sc(-c5ccc(N6C(=O)CC(Nc7ccc(-c8nc(-c9ccc(-c%10nc(-c%11ccc([N+](=O)[O-])cc%11)c(-c%11ccc([N+](=O)[O-])cc%11)[nH]%10)cc9)[nH]c8*)cc7)C6=O)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)C2=O)cc1,,0.41430705,,,
+478448217,*c1cccc(OCCCCCCCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.34783375,,,
+478818056,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccc(S(C)(=O)=O)cc5)cc4)cc3)cc2)cc1,,0.38732371,,,
+478981386,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1C,,0.36199389,,,
+479722574,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(-c3nc4ccccc4oc3=O)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37512848,,,
+479745021,*C(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36908001,,,
+479794111,*c1ccc(C(=O)NCCCCCCCCCCNC(=O)c2ccc(-c3nc4ccccc4nc3*)cc2)cc1,,0.36538567,,,
+479814581,*O[Si](O[Si](O[Si](O[Si](CC[Si](C)(C)O[Si](C)(C)CC[Si](*)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,,0.39773141,,,
+479850250,*Nc1ccc([C@@H](C)c2ccccc2CCc2ccccc2[C@H](C)c2ccc(N*)cc2)cc1,,0.35612182,,,
+479918416,*CC(*)c1ccc(C(O)CCN2CCCCC2)cc1,,0.37433713,,,
+480111697,*CC(*)(C)C(=O)NC(=O)OCCOc1ccc(S(=O)(=O)c2ccc(OCCO)cc2)cc1,,0.32112378,,,
+480125029,*CCCCCCCCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,,0.34768618,,1.043832714,
+480361178,*CCNC(=O)c1ccc(C(=O)N*)c(Oc2ccccc2)c1,,0.33491871,,,
+480471385,*c1ccc(-c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.39039629,,,
+480495862,*CC(*)CCC(C)(C)C,,,0.1929999999999999,,
+481255154,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cc(C(=O)c5ccc(*)cc5)cc(C(C)(C)C)c4)cc3)cc2)cc1,,0.38222676,,,
+481310813,*C=CC1CC(*)C(C(=O)OCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1C(=O)OCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.3627633,,,
+481600989,*Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5cccc(NC(=O)c6ccc(*)cc6)c5)cc4)cc3)cc2)cc1,,0.36677611,,,
+482356088,*OP(=O)(Oc1ccc(C(C)(C)c2ccc(*)cc2)cc1)Oc1c(Cl)cc(Cl)cc1Cl,,0.3676303,,,
+482559838,*CC(COc1ccc(-c2ccc(OC)cc2)cc1)O*,,0.34505988,,,
+482933364,*Nc1ccc([C@@H](c2ccccc2)c2ccccc2N*)cc1,,0.34925827,,,
+483443678,*Nc1ccc(-c2ccc(N*)c(-c3ccc(C)cc3C)c2-c2ccc(C)cc2C)cc1,,0.37968656,,,
+483503968,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5c(c(-c6ccccc6)c(-c6ccc(-c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7-c7ccccc7)C(=O)N(*)C8=O)cc6)c(-c6ccccc6)c5-c5ccccc5)C4=O)c3)c2)c1,,0.38403855,,,
+483514243,*/C=C/CCCCCCCCCC*,,,0.4142,0.822074244,20.61494369
+483787501,*C(=O)c1ccc(N=Nc2ccc(C(=O)N3C(=O)N(*)C(C)(C)C3=O)cc2)cc1,302.3547996,,,,
+484741548,*CC(c1ccccc1)C1C(=O)N(c2ccc(Cl)cc2)C(=O)C1*,168.825845,,,,
+484824618,*c1ccc(C(=O)Nc2cccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(NC(=O)c6ccc(N7C(=O)c8ccc(-c9cccc%10c9C(=O)N(*)C%10=O)cc8C7=O)cc6)c5)cc4)cc3)c2)cc1,,0.3546746,,,
+484906065,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.3421229,,,
+484910075,*C(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(-c4ccc(-c5nc6cc(*)ccc6[nH]5)cc4)nc3c2)c1,,0.37664927,,,
+484914577,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(-c6ccc(*)s6)cc5C(F)(F)F)cc4)c4ccccc4-c4ccccc43)cc2)c(C(F)(F)F)c1,,0.43261591,,,
+485094036,*OCCCCOc1ncnc(*)n1,,0.35576743,,,
+485407995,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)CCCCC(*)=O,,0.32762443,,,
+485725497,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C3(C)CC(C)(C)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc43)cc1)C2=O,,0.40280655,,,
+486162047,*Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(*)=S)cc2)cc1,,0.36499297,,,
+487578819,*CCCCNC(=O)c1ccc(C(=O)N*)c(Sc2ccccc2)c1,,0.34744921,,,
+487601527,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37208574,,,
+488191156,*CCCCCOc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(O*)c3)cc2)c1,,0.34353259,,,
+488617798,*c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccc(-c6ccc7nc(*)[nH]c7c6)cc5[nH]4)cc3)cc2)cc1,358.667269,,,,
+489644096,*CCCNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NCCCOCCOCCO*)C(C)C)C(C)C,,0.34899724,,,
+489823970,*c1cccc(N2C(=O)c3ccc(Oc4c(C)cc(Cc5cc(C)c(Oc6ccc7c(c6)C(=O)N(*)C7=O)c(C)c5)cc4C)cc3C2=O)c1,,0.39109264,,,
+489861944,*c1ccc(Oc2ccc(-c3ccc(-c4ccc(Oc5ccc(-c6c7c(c(*)c8ccccc68)C(=O)N(c6ccccc6)C7=O)cc5)c(C(F)(F)F)c4)s3)cc2C(F)(F)F)cc1,,0.4015453,,,
+490110901,*CC(O)CN(*)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1,,0.3475583,,,
+491061236,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c(-c5cc(-c6nc7cc(*)ccc7[nH]6)cc(N6C(=O)c7ccccc7C6=O)c5)nc4c3)cc2)cc1,,0.37434137,,,
+491271299,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C(C)C)cc(C(C)(C)c4cc(C(C)C)c(*)c(C(C)C)c4)cc3C(C)C)cc2)cc1,,0.41746736,,,
+491291994,*CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,,0.37814224,0.396,,
+492004375,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c2)cc1,,0.35547349,,,
+492439302,*Nc1ccc2c(c1)C(c1ccc(C)c(C)c1)(c1ccc(C)c(C)c1)c1cc(N*)ccc1-2,,0.38916246,,,
+492508713,*Nc1ccccc1C(c1ccccc1N)(c1ccccc1N)c1ccccc1N*,,0.36419174,,,
+492534708,*Nc1ccc(-c2ccc(N*)cc2-c2cccc3ccccc23)cc1,,0.35766068,,,
+492635161,*CC(*)(C)C(=O)OCCCCCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.35070234,,,
+492640026,*C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(NC(=O)Nc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)ccc1-2,,0.34865411,,,
+493007317,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccccc3N3C(=O)c4ccc(*)cc4C3=O)cc1)C2=O,,0.37514628,,,
+493762918,*CC(COC(C)C)O*,,0.38129236,,,
+494086930,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3ccc(C(F)(F)F)cc3)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.38566004,,,
+494165732,*c1ccc2c(c1)C(=O)N(C1CCC(CC3CCC(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)C(C)C3)CC1C)C2=O,,0.39920256,,,
+494602606,*CCCCCCCNC(=O)CCCCC(=O)N*,,0.3410138,0.323,,
+494975376,*c1cccc(C(c2ccccc2)(c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)C(F)(F)F)c1,,0.38438296,,,
+495203055,*c1ccc(Cc2ccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.39061892,,,
+495342241,*C1C(*)C2CC1C(COCCCc1ccccc1)C2COCCCc1ccccc1,,0.36101933,,,
+495385866,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6ccc(Oc7ccc(Oc8cccc9c8C(=O)N(*)C9=O)cc7)cc6)c5C4=O)cc3)c2)cc1,,0.36047551,,,
+496258709,*CC(*)(C)c1ccc(C(O)C(F)(F)F)cc1,,0.35571661,,,
+496344217,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)CC(=O)N(*)C5=S)cc4)cc3)cc2)cc1,,0.38334542,,,
+496407382,*Nc1c(F)c(F)c(-c2c(F)c(F)c(N*)c(F)c2F)c(F)c1F,,0.33298496,,,
+496740168,*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.39934746,,,
+496873266,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O)c1ccccc1,,0.35725453,,,
+497236966,*CC(*)c1cccc(C)c1,,,0.1973333333333333,,
+497317849,*CC#CC#CCOc1ccc(C(=O)OCCN(CCOC(=O)c2ccc(O*)cc2)c2ccc([N+](=O)[O-])cc2)cc1,,0.35625446,,,
+497633362,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1-c1cccc(C(F)(F)F)c1,,0.35258781,,,
+498302991,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(S(=O)(=O)c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.3773528,,,
+498538377,*c1ccc2c(c1)C(=O)N(c1ccc(N(c3ccc(C=Cc4ccc([N+](=O)[O-])cc4)cc3)c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.41204926,,,
+498645722,*CC(*)c1cc(-c2ccc(C(=O)OC(C)CC)cc2)ccc1-c1ccc(C(=O)OC(C)CC)cc1,,0.39103863,,,
+499146119,*O[Sn](CCCC)(CCCC)OC(=O)c1ccc(C(*)=O)cc1,,0.36080704,,,
+499802239,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(C)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,0.36654157,,,
+499947957,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)c2ccccc2C(=O)O)cc1,,0.37386948,,,
+500257329,*C(=O)Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Sc6ccc(Oc7ccc(Sc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7)cc6)cc4)C5=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.38040953,,,
+500559499,*CCOCCOC(=O)CCC(=O)O*,,0.3219175,,,
+501088576,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCCCC)cc2)cc1,,0.36549965,,,
+501489325,*CCNC(=O)c1cccc(C(=O)NCCOc2ccc3c(O*)cccc3c2)c1,,0.33057891,,,
+502239610,*Nc1ccc2cccc3c2c1C=C(CC=C)[C@@H]3N*,,0.33480182,,,
+502600207,*N[C@H]1CC[C@H](C[C@H]2CC[C@H](N*)CC2)CC1,,0.3557302,,,
+503030513,*CCCCCCOc1ccc(C=Cc2ccc(O*)c3ccccc23)cc1,,0.36429456,,,
+503126715,*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,0.0735,1.482039287,12.88558494
+503535995,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8c(C)cc(C(C)(C)c9cc(C)c(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)c(C)c9)cc8C)cc7C6=O)cc5)cc4)CC4CC3C3CCCC43)cc2)cc1,,0.39469659,,,
+503739413,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](*)(C)C)cc2)cc1,,0.42386607,,,
+503770614,*CC(*)c1ccc(COc2ccc(-c3ccc(C#N)cc3)cc2)cc1,,0.3628679,,1.065712208,12.90310493
+503797851,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(Oc8ccc(C(c9ccc(*)cc9)(C(F)(F)F)C(F)(F)F)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.36856171,,,
+504470036,*CCN(CCOC(=O)CCC#CC#CCCC(=O)O*)c1ccc(N=Nc2c(C)cc(N=Nc3ccc(C#N)cc3)cc2C)cc1,,0.3810089,,,
+504498894,*CCCCCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,0.36312778,,,
+504683650,*Oc1c(C)cc(*)cc1-c1ccccc1,,0.40029131,0.1935,1.002505763,15.57570307
+504741555,*CCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33487756,,,
+505042674,*CC(OC(C)=O)C1C(=O)N(c2ccccc2)C(=O)C1*,157.3759721,,,,
+505139445,*CC(CC)(CC)C(=O)O*,,0.3595269,,,
+505192232,*CCC[Si](*)(C)O[Si](C)(C)CCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.39219302,,,
+505306090,*c1ccc2c(c1)C(=O)N(c1ccc(OCCN(CCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c3ccccc3)cc1)C2=O,,0.35771697,,,
+505372159,*Nc1ccc(C2(c3ccc(N*)cc3)C3=C(C=CCC3)c3ccccc32)cc1,,0.3719327,,,
+505451918,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C(C)(C)C)cc(-c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3C(C)(C)C)c(C(F)(F)F)c1)C2=O,,0.41829634,,,
+505548035,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(*)cc5)c4)cc3)cc12,,0.35312849,,,
+505708528,*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32462009,,,
+506323355,*CCCCCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,,0.33556239,,,
+506576027,*CCCCCCN(C)C(=O)CCCCCCCCCCCCCCCCC(=O)N(*)C,49.34222836,,0.3525,0.898624404,19.92649972
+506639284,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccc(C(F)(F)F)cc5)C6=O)cc4)cc3)cc2)cc1,,0.38171979,,,
+506748374,*CCCCC(=O)NCc1ccc(CNC(=O)CCCCO*)cc1,,0.3396223,,,
+506781855,*c1ccc2[nH]c(*)nc2c1,,0.47901269,,,
+506857730,*C1C(=O)N(c2ccc(COC(C)(C)C)cc2)C(=O)C1*,122.5873684,,,,
+506874673,*c1ccc(CC(=O)Nc2ccc(-c3ccc(NC(=O)Cc4ccc(-c5sc(*)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1,,0.37860211,,,
+506900433,*c1ccc2c(c1)C(=O)N(c1ccc(N(c3ccc(C#N)cc3)c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.42132012,,,
+507068449,*Nc1ccc([C@H](C)c2ccc([C@H](C)c3ccc([C@@H](C)c4ccc([C@@H](C)c5ccc(N*)cc5)cc4)cc3)cc2)cc1,,0.36551543,,,
+507545745,*C=C1CCCC(=Cc2ccc(-c3cc(OCCCCCC)c(-c4ccc(*)cc4)cc3OCCCCCC)cc2)C1=O,,0.3857122,,,
+507783555,*CC(*)(C#N)C(=O)OC(C)C,,0.36628241,,,
+507898117,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(*)cc4C3=O)cc(C(F)(F)F)c1)C2=O,,0.38109173,,,
+508336740,*CC(*)c1ccc(C(=O)CCCC)cc1,,0.38199885,,,
+508339615,*Nc1ccc(C2(c3ccc(N*)cc3)CCCC[C@H]2C[C@H]2CC[C@H](CCCCC)CC2)cc1,,0.37129511,,,
+508597876,*Oc1ccc(Oc2ccc(C(=O)c3ccccc3-c3ccccc3C(=O)c3ccc(*)cc3)cc2)cc1,,0.37522129,0.2205,1.125774179,17.8866103
+509167762,*Nc1ccc(Cc2ccc(NC(=O)c3cc(C(*)=O)cc(N4C(=O)C5CC=CCC5C4=O)c3)cc2)cc1,,0.34814745,,,
+509179600,*c1ccc2c(c1)C(=O)N(c1c(C(C)C)cc(C(c3ccccc3)(c3cc(C(C)C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)C(F)(F)F)cc1C(C)C)C2=O,,0.44811081,,,
+509220897,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(N)c4)cc3N)cc2)cc1,,0.37586152,,,
+509241405,*CCCCCCN1C(=O)C(=Cc2ccc(C=C3SC(=S)N(*)C3=O)cc2)SC1=S,35.37444876,,,,
+509577164,*CC(*)(C)C(=O)Oc1ccc(C)cc1,126.1154692,,0.1545,0.951958497,12.66351417
+509659753,*c1cccc(C(O)c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.36066207,,,
+509959736,*CC(*)c1ccc(-c2cccc3nsnc23)cc1,,0.37001956,,,
+509992676,*Nc1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc(N*)cc4)cc3)cc2)cc1,,0.35190828,,,
+510587206,*CCOCCOCCOC(=O)C=CC(=O)NCCCCCCNC(=O)C=CC(=O)O*,,0.32787972,,,
+510665412,*OC(=O)C(CCSC)NC(=O)CCCCCCCCC(=O)NC(CCSC)C(=O)OC1COC2C(*)COC12,,0.35394584,,,
+510669742,*c1ccc(CCc2ccc(N3C(=O)C(=O)N(*)C3=O)cc2)cc1,,0.36028471,,,
+510815019,*CC(C)(C)COC(=O)NCCCCCCNC(=O)O*,47.60248847,,,,
+510908370,*CC(*)c1cc(C(C)(C)C)ccc1C,,,0.1636666666666666,0.849065812,12.50033571
+511605655,*Nc1cccc(-c2ccc(-c3ccc(-c4cccc(N*)c4)cc3)cc2)c1,,0.34297147,,,
+512074662,*OP(=O)(Oc1ccc(Br)cc1)Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.36041928,,,
+512260776,*CC(*)c1ccc(C(O)C(F)(F)F)cc1,,0.35930976,,,
+512380282,*CC(*)(C)C(=O)OC1CCCC(C)C1,,0.38017657,0.1545,0.881548744,10.34584016
+512910152,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1CCC(C)CC,,0.36764401,,,
+513101692,*c1ccc(-c2ccc(-c3ccc(*)n3C)n2C)cn1,256.5965094,,,,
+513259550,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5nc(*)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1,,0.39322876,,,
+513674501,*Oc1ccc(C(=O)OCCOCCOC(=O)c2ccc(OC(*)=O)cc2)cc1,,0.32931388,,,
+513989706,*Nc1ccc(C(c2ccc(N*)cc2)=c2ccc(=C(c3ccc(N)cc3)c3ccc(N)cc3)cc2)cc1,,0.37954577,,,
+514517104,*Nc1ccc(C(C)(C)c2cccc(C(C)(C)c3cccc(N*)c3)c2)cc1,,0.35536977,,,
+514560887,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(N=Cc4ccc(*)cc4)cc3)cc2)cc1,,0.37509009,,,
+515010874,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OC)cc1,,0.33673792,,,
+515242470,*CC(*)Cc1ccccc1,,,0.1963333333333333,,
+515253113,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc(C(*)=O)cc8)cc7)CCC(C(C)(C)C)CC6)cc5)cc4)cc3)C3CC4CC(C3)CC2C4)cc1,,0.38086878,,,
+515420444,*CC(*)C(=O)OCCCCn1c2ccccc2c2ccccc21,,0.35334507,,,
+515584536,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.36493909,,,
+516007514,*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc(NC(=O)CN6C(=O)c7ccc(C(c8ccc9c(c8)C(=O)N(CC(=O)Nc8ccc(Oc%10ccc%11nc(-c%12ccccc%12)c(*)nc%11c%10)cc8)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)ccc4nc3-c3ccccc3)cc2)cc1,,0.37474439,,,
+516038607,*CC(F)(F)C(F)=C(*)Cl,,0.36169864,,,
+516307046,*CC(=O)NCCCCCCNC(=O)CO*,,0.32129189,,,
+516348325,*C(=O)Nc1c(C)cc(Cc2cc(C)c(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(N=Nc5ccc(F)cc5)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)c(C)c2)cc1C,,0.37338433,,,
+516368509,*c1ccc2c(c1)C(=O)N(c1ccc(OC(C)COc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.36566453,,,
+516575920,*c1ccc2c(c1)c1cc(-c3sc(-c4ccc(-c5cc(CCCCCC)c(*)s5)c5nsnc45)cc3CCCCCC)ccc1n2C(CCCCCCCC)CCCCCCCC,,0.42806849,,,
+516647275,*OC(*)C(Cl)(Cl)Cl,,,0.066,1.539478709,18.35760963
+517724366,*CCCCOC(=O)CCCCCCCCC(=O)O*,,0.35670902,,,
+517814653,*N=P(*)(OCCOCCOCC)OCCOCCOCC,,0.36520289,,,
+518335451,*CC(CS(C)(=O)=O)O*,,0.36145145,,,
+518421541,*O[Si](C)(C)CCCCCCOC(=O)C(C)Oc1ccc(OC(=O)c2ccc(-c3ccc(OCCCCCCCCCC[Si](*)(C)C)cc3)cc2)cc1,,0.38168515,,,
+518799909,*CCN(*)C,,0.382623,,,
+519498812,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1,,0.34952395,,,
+519962205,*CCOCCOC(=O)/C=C/C(=O)O*,,0.3158043,,,
+520233682,*CCCCCC(*)CCCCCCCC,,0.40682888,,0.794468482,14.0622995
+520243279,*Oc1ccc(OC(=O)c2ccc(-c3ccc(C(*)=O)cc3)cc2-c2ccccc2)c2ccccc12,,0.36166198,,,
+520514597,*c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.39304879,,,
+520557915,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)CCCCCCCC(*)=O,,0.33709965,,,
+520586980,*NC1=C2C(=CC=CC2(N)N*)[C@@H](c2ccc(N)c3ccccc23)C=C1,,0.3475975,,,
+520661031,*c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c1)C2=O,,0.37598194,,,
+520740305,*Oc1ccc(Oc2ccc(C(=Nc3ccccc3)c3ccc(Oc4ccc(Oc5cccc(*)n5)cc4)cc3)cc2)cc1,,0.37099152,,,
+521246166,*Nc1cc(=O)c(N*)c(N)[nH]1,,0.2918774,,,
+521384312,*Oc1ccc(S(=O)(=O)c2ccc(OC3(F)C(*)(F)C(F)(F)C3(F)F)cc2)cc1,,0.34883911,,,
+521718706,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(C=C9CCCCC(=Cc%10ccc(*)cc%10)C9=O)cc8)cc7)cc6)cc5)CCCCCC4)cc3)cc2)cc1,,0.37546992,,,
+522844869,*CC(*)OC(=O)CCCC1CCCCC1,,0.36748858,,,
+522894499,*Nc1ccccc1-c1cccc2c(-c3ccccc3N*)cccc12,,0.35396879,,,
+523250559,*OC(C)CCCC(C)C(*)=O,,0.36757334,,,
+523651487,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(NC(=O)Nc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.34682404,,,
+523668736,*CC(*)(C)C(=O)OCCCCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.34820779,,,
+523674609,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(-c2nnc(-c3ccccn3)o2)c1,,0.37590991,,,
+523947346,*Oc1cc(C)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.35222541,,,
+524444446,*CCCCCCCC(=O)OCC1(C)COC(*)OC1,,0.35863844,,,
+525351897,*c1ccc(-c2nnc(-c3cccc(-c4nnc(*)o4)c3)o2)cc1,,0.44804899,,,
+525571828,*C(=O)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(*)s5)cc4)c4ccccc4-c4ccccc43)cc2)cc1,,0.39472012,,,
+525996171,*Oc1cccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(*)cc2)c1,,0.34695098,,,
+526128388,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,0.36085743,,,
+526195593,*C(=O)Nc1cccc(Oc2cccc(Oc3cccc(Oc4cccc(Oc5cccc(NC(=O)c6ccc7c(c6)C(=O)N(c6cccc(Oc8cccc(Oc9cccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)c9)c8C#N)c6)C7=O)c5)c4C#N)c3)c2C#N)c1,,0.36067219,,,
+526647748,*Nc1ccc(-c2cc3ccc2CCc2ccc(c(-c4ccc(N*)cc4)c2)CC3)cc1,,0.35898594,,,
+527877967,*Nc1ccc(C2(c3ccc(N*)c(C)c3)CCCCC2)cc1C,,0.36323819,,,
+527882654,*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,,0.3268589,0.095,,
+527894949,*Nc1ccc(-c2ccc(N*)c3c(N)cccc23)c2cccc(N)c12,,0.35447146,,,
+528293396,*CCCCCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,-0.868265132,,0.35,0.888311048,16.27222852
+528559472,*CCC[Si](*)(C)c1cccc(C)c1,,0.40156037,,,
+528637709,*Nc1ccc(Oc2ccc(N*)cc2)cc1,,0.33692082,,,
+528781081,*CC(*)(C)C(=O)OCCNC(=O)N(CCCCCC)CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,23.2402228,,,,
+528835439,*Nc1ccc2c(c1N*)C(C)(C)CC2(C)C,,0.36728055,,,
+528964340,*CCC[Si](C)(C)O[Si](C)(C)CCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.37133662,,,
+530057519,*c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(-c5ccc(*)s5)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.40843871,,,
+530220535,*Oc1ccc2c(c1)C(C)(c1ccc(OC(=O)c3ccc(C(*)=O)cc3)cc1)CC2(C)C,,0.37005888,,,
+530546443,*c1ccc2c(c1)C(=O)N(c1ccc(OCCCCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.35627754,,,
+530898286,*Nc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccc(N*)c5)c4)cc(-c4cccc(-c5ccccc5N)c4)c3)c2)cc1,,0.35285908,,,
+531021171,*c1ccc(Oc2ccc(-c3cnc4ccc(-c5ccc6nc(*)cnc6c5)cc4n3)cc2)cc1,,0.40000868,,,
+531044594,*C(C)C(*)O,113.5665564,,,,
+531093523,*OCCOC(=O)CCCC(=O)OCCOc1nc(-c2ccc(OCCCC)cc2)nc(*)c1-c1ccc(OCCCC)cc1,,0.36060882,,,
+531126908,*CCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.35125346,,,
+531544469,*Nc1ccc(-c2ccc(N*)c(C)c2)cc1C,,0.348612915,,,
+531780740,*CC(*)c1c(F)c(F)c(C(F)(F)F)c(F)c1F,,0.36531928,,,
+531904856,*Nc1ccc(C2=CC3=CC[C@@H]2CC[C@@H]2C=CC(=C(c4ccc(N*)cc4)C2)CC3)cc1,,0.35807069,,,
+531967957,*Oc1ccc(C(=O)c2cccc(C(=O)c3ccc(Oc4cccc(Cc5cccc(*)c5)c4)cc3)c2)cc1,,0.36716519,,,
+532718186,*Nc1c(/C=N\O)cc(/C=N\O)c(N*)c1N,,0.30882264,,,
+532722806,*CCOC(=O)O*,,0.3043208,,,
+533889632,*NC1=C(C2=C(N*)NS(=O)(=O)N=C2N)C(N)=NS(=O)(=O)N1,,0.31382982,,,
+533973730,*CC(*)(C)C(=O)OCC(=O)N1CCOCC1,,0.32527676,,,
+534049242,*OC(C)(CC(*)=O)C(F)(F)F,,0.32631701,,,
+534118680,*CC(*)c1cc(F)ccc1F,,,0.1403333333333333,1.086573844,14.49605377
+534605075,*Oc1cc(CCCCCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.37154084,,,
+535310373,*c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(*)(=O)=O)cc2)cc1,,0.33651,,,
+535364463,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)NNC(=O)c4ccc(NC(=O)c5ccc(*)cc5)c(O)c4)cc3)cc2)cc1,111.457133,,,,
+535689766,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccc(F)cc5)C6=O)cc4)cc3)cc2)cc1,,0.37834526,,,
+535937381,*CC(CSC(C)C)O*,,0.41844328,,,
+536002998,*CC(*)(Cl)C(=O)OCCCC,,,0.178,1.074741397,13.37410592
+536465827,*CC(*)c1ccc(C([Sn](C)(C)C)[Sn](C)(C)C)cc1,,0.37911502,,,
+536792438,*Nc1ccc2c(c1)-c1ccccc1C21c2cc(N)ccc2-c2ccc(N*)cc21,,0.3825956,,,
+537109947,*CC(*)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1,,,0.2175,1.04192343,12.60793073
+537336269,*CC(*)(C)C(=O)OCCCCCC(=O)Oc1ccc(OC(=O)c2ccc(OCC)cc2)cc1,,0.34042214,,,
+537664135,*CCCCCCOC(=O)OCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.34845785,,,
+538207206,*CC(c1ccccc1)C1C(=O)OC(=O)C1*,,0.33148973,,,
+538524881,*c1cc(-c2ccc(C(=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c3)cc2)c(*)s1,,0.45309822,,,
+538540896,*CC(C)(C)C1C(=O)N(c2ccccc2)C(=O)C1*,,0.35392644,,,
+538764320,*c1cccc(C(=O)Nc2ccc(Oc3ccc(-c4ccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(*)C%10=O)cc8C7=O)c6)cc5)cc4)cc3)cc2)c1,,0.35494179,,,
+538774618,*C1(F)OC(C(F)(F)F)(C(F)(F)Cl)OC1(*)F,,0.36536352,,,
+539017358,*C(=O)c1ccc2nc(-c3ccc(-c4nc5ccc(*)cc5nc4-c4ccccc4)cc3)c(-c3ccccc3)nc2c1,,0.44667573,,,
+539302432,*c1cccc(Cc2cccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.38528717,,,
+539590566,*CC(OCCCC)C(C(=O)OC)C(*)C(=O)OC,,0.3557316,,,
+540095012,*CCCCCCOC(=O)OCCCCCCOC(=O)OCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.33877986,,,
+540297296,*CC(*)(CC(=O)OCCCCCC)C(=O)OCCCCCC,,0.38570941,0.2319999999999999,0.927808816,10.01915881
+540769722,*Nc1ccc2c3c4ccccc4c(c2c1N*)CC3,,0.35026083,,,
+541086746,*NC1=C(N)[C@@H](N*)N[C@H](O)N1,,0.28340014,,,
+541170005,*Nc1ccc(C(c2ccc(N*)cc2)c2cc(C(C)C)cc(C(C)C)c2)cc1,,0.37601699,,,
+541335135,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O,,0.36521953,,,
+541484216,*CC(=O)NCC(=O)O*,,0.27858992,,,
+541941802,*CCCCCC(=O)NCCNC(=O)CCCCCOC(=O)c1ccc(C(=O)O*)cc1,81.65245915,,,,
+541986160,*CC(*)c1ccc(COCC(CC)CCCC)cc1,,,0.268,0.902459296,11.12376829
+542632051,*Nc1cc(C)c(Cc2ccc(CCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35730996,,,
+543084242,*c1ccc2c3ccc(-c4sc(-c5ccc(-c6cc(CCCCCC)c(*)s6)c6nsnc56)cc4CCCCCC)cc3n(C(CCCCCCCC)CCCCCCCC)c2c1,,0.42631402,,,
+543416509,*CC(*)c1ccccc1O,,0.35680883,,,
+543539170,*C1C2CC(C(=O)OCCc3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)C(C2)C1*,,0.38569582,,,
+543597205,*Nc1ccc2c(N*)cccc2c1,,0.33581452,,,
+543958331,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C)cc1,,0.35345752,,,
+544070601,*CCOC(=O)CCCCSCCCCC(=O)O*,,,0.212,1.07074619,19.93042453
+544223047,*CC(CC)N(*)C(=O)CCCC,,0.37465155,,,
+544292910,*Nc1cccc2c1-c1ccc(N*)c(-c3ccccc3-c3ccccc3)c1C2(c1ccccc1)c1ccccc1,,0.38258457,,,
+544581036,*C(C#N)=Cc1cc(OCCCCCCCCCC)c(C=C(C#N)c2cc(OCCCCCCCCCC)c(*)cc2OC)cc1OC,,0.39346704,,,
+544904323,*N=P(*)(OCCCc1ccccc1)OCCCc1ccccc1,,0.36697361,,,
+545195322,*CC(C)C(=O)O*,,0.33755497,,,
+545255610,*Nc1ccc(C2=CC[C@](c3ccccc3)(c3ccc(N*)cc3)C=C2)cc1,,0.35602121,,,
+545546596,*C=Cc1ccc(*)n1CCCCCC,-15.03969582,,,,
+545845623,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccccc2)cc1,,0.3472806,,,
+546152235,*c1ccc2oc3ccc(S(*)(=O)=O)cc3c2c1,,0.39759334,,,
+546427927,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(N=Nc5ccc(C)cc5)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,0.36541949,,,
+546647857,*c1ccc(OCCCCCCCCCCCOC(=O)c2cccc(C(=O)OCCCCCCCCCCCOc3cccc(-c4nnc(*)s4)c3)c2)cc1,,0.36894733,,,
+547172331,*Nc1ccc([C@@H]2[C@H](c3ccc(N)cc3)[C@@H](c3ccc(N)cc3)[C@H]2c2ccc(N*)cc2)cc1,,0.36720973,,,
+547602790,*OC(=O)Nc1ccc(C)c(NC(=O)OC2CCN(c3ccc(C=CC4=CC(=C(C#N)C#N)C=C(C=Cc5ccc(N6CCC(*)CC6)s5)O4)s3)CC2)c1,,0.37611035,,,
+547840653,*CC(*)(C)C(=O)OCCCCOc1ccc(OC(=O)c2ccc(OCCCCCCCC)cc2)cc1,,0.38665475,,,
+548011241,*C=C(C#N)C(=O)OCCCCCCOC(=O)C(C#N)=Cc1ccc2c(c1)c1cc(*)ccc1n2CCCCCCC,,0.37348873,,,
+548292823,*NNC(=O)c1cccc(C(*)=O)c1,232.2266265,,,,
+549125416,*Oc1ccc(-c2ccc(OC(*)(Oc3ccccc3)Oc3ccccc3)cc2)cc1,,0.36489769,,,
+549389508,*CC(*)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,,,0.19,1.122445545,12.26891849
+549579953,*C(=O)Nc1cccc2cccc(N3C(=O)CC(N4C(=O)c5ccc(*)cc5C4=O)C3=O)c12,,0.34205138,,,
+549581828,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCC(c%10ccccc%10)CC9)cc8)cc7C6=O)cc5)cc4)CCC(C(C)(C)C)CC3)cc2)cc1,,0.38206234,,,
+549614488,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(-c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)cc2)cc1,,0.36966262,,,
+550069426,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)c7)cc6C5=O)cc4)cc3)cc2)cc1,,0.35950007,,,
+550478997,*Nc1ccccc1-c1cccc2c1C=C[C@H]2[C@@H]1c2ccccc2-c2c(-c3ccccc3N*)cccc21,,0.36637349,,,
+550776469,*c1ccc(-c2ccc(-c3nc4ccc(-c5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)cc1,,0.43978712,,,
+550796562,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cc(C(C)(C)C)c(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3C(C)(C)C)cc1)C2=O,,0.4050413,,,
+551339545,*CCCCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.37531301,,,
+551390778,*C=CC1CC(*)C(C(=O)OC)C1,,0.3605929,,,
+551461476,*OP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1c(C)cc(S(=O)(=O)c2cc(C)c(*)c(C)c2)cc1C,,0.36156233,,,
+551862261,*CCCCCCOC(=O)Nc1cc(NC(=O)OCCCCOC(=O)Nc2ccc(C)c(NC(=O)OCCCCCCOc3ccc(-c4ccc(O*)cc4)cc3)c2)ccc1C,41.49405569,,,,
+552032340,*OC(C)COC(=O)c1ccc(C(*)=O)cc1,,0.34490108,,,
+552315395,*OC(F)(F)COC(=O)c1cccc(C(=O)OCC(*)(F)F)c1,,0.32071779,,,
+552340314,*Nc1cccc(NC(=O)CCCCCC(*)=O)c1,-12.07623639,,,,
+552823663,*CC(*)(CC(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCCC,75.04044311,,,,
+553001434,*Oc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(*)cc3)cc(C(=O)OCCOC(=O)C=Cc3ccc(N(C)C)cc3)c2)cc1,,0.3451955,,,
+553487456,*Nc1ccc(Cc2cc(Cc3ccc(N)c(C(C)(C)C)c3)cc(C(C)(C)C)c2N*)cc1C(C)(C)C,,0.38558649,,,
+553498968,*Oc1ccc(C2(c3ccc(OC(=O)CCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36989282,,,
+553763789,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35973835,,,
+553989373,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.3424812,,,
+554199455,*c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(O)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1O)C2=O,,0.37227168,,,
+554208834,*Nc1ccc(NC(=O)c2cccc(C(*)=O)c2)cc1,,0.33774959,,,
+554219011,*CC(O)COc1ccc(C2(C)CC(C)(C)c3cc(O*)ccc32)cc1,,0.362067,,,
+554452518,*Nc1ccc(C2(c3ccccc3N*)c3ccccc3-c3ccccc32)cc1,,0.36926653,,,
+554573258,*c1cccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4cccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)c4)cc3)cc2)c1,,0.35212357,,,
+555027003,*CCN(*)C(=O)CCCCC,,0.36643228,,,
+555056741,*C(=O)OCCOCCOCCOCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.33294368,,,
+555131075,*Oc1ccc(C(c2ccccc2)c2ccc(OC(*)=O)cc2)cc1,,0.36406756,,,
+555208717,*Oc1c(C)cc(C2(c3cc(C)c(OC(=O)c4cccc(C(*)=O)c4)c(C)c3)c3ccccc3-c3ccccc32)cc1C,,0.414103,,,
+555363148,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3nc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)nc(N(C)C)n3)c1)C2=O,,0.37799185,,,
+555506282,*Oc1c(C)cc(C2(c3cc(C)c(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.41226899,,,
+555542733,*C1C(*)C2CC1C(C(=O)OCCc1ccccc1)C2C(=O)OCCc1ccccc1,,0.35586688,,,
+555601753,*CC(*)c1ccc(C)nc1,,0.41719903,,,
+555803922,*C=CC1CC(*)C(C(=O)OCCN(C)C)C1,,0.37093089,,,
+556338128,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.34396152,,,
+556552879,*OC1CCC(OC(=O)OCCCCCCOC(*)=O)CC1,,0.343459,,,
+556865522,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3c(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(OCCCCCCCCCCOc5ccc(-c6cc(-c7ccc(-c8ccccc8)cc7)c(-c7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)c(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)cc3-c3ccc(-c4ccccc4)cc3)cc1)C2=O,,0.36823501,,,
+557037726,*CC(O)COc1ccc(C(C)(C)C2CCC(C)(c3ccc(O*)cc3)CC2)cc1,,0.35740346,,,
+558140001,*CCCCCCOC(=O)OCCCCCCCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.35587164,,,
+558319108,*c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(Sc5ccc(N6C(=O)c7ccc(Sc8ccc(Sc9ccc(Sc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9)cc8)cc7C6=O)cc5)s4)s3)s2)cc1,,0.3770355,,,
+558482820,*CCCCCCNC(=O)c1cc(NC(=O)C(C(C)CC)N2C(=O)c3ccccc3C2=O)cc(C(=O)N*)c1,,0.33948967,,,
+558675719,*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(C(c8ccc(N9C(=O)c%10ccc(C(=O)Nc%11ccc(Oc%12ccc%13nc(-c%14ccc([N+](=O)[O-])cc%14)c(*)nc%13c%12)cc%11)cc%10C9=O)cc8)(C(F)(F)F)C(F)(F)F)cc6)C7=O)cc5)ccc4nc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1,,0.38115297,,,
+558794697,*c1ccc(-c2nc3cc(Oc4ccc5nc(*)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1,,0.43112064,,,
+559219019,*CC(OCC(C)C)C(C(=O)OC)C(*)C(=O)OC,,0.36220084,,,
+559323860,*Oc1ccc(C2(c3ccc(OC(=O)CCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36295763,,,
+559874694,*Oc1cc(O*)cc(Oc2ccc(C#N)c(*)c2)c1,,0.35031084,,,
+559980070,*Oc1ccc(Oc2ccc(C(=Nc3ccc(N=C(c4ccccc4)c4ccc(*)cc4)cc3)c3ccccc3)cc2)cc1,,0.38545938,,,
+560279885,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O,,0.39564613,,,
+560554259,*CC(*)(C)C(=O)OCC1CC(NC(=O)C2CC(NC(=O)OC(C)(C)C)CN2C(=O)OC(C)(C)C)CN1C(=O)C1CC(NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C,,0.35571836,,,
+561158280,*NNC(=O)c1ccccc1C(=O)NCCCCCCNC(=O)c1ccccc1C(*)=O,,0.33644066,,,
+561427423,*CC(*)c1ccccc1C(=O)OC(C)C,,0.36610214,0.1736666666666666,,
+562022603,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(Sc8ccc(-c9c(-c%10ccccc%10)c(-c%10ccccc%10)c(*)c(-c%10ccccc%10)c9-c9ccccc9)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)cc5C4=O)cc3)cc1)C2=O,,0.40157319,,,
+562176358,*CCCCSS*,,0.4654699,0.175,,
+563610141,*OC(=O)OCC(OC)C(COC(=O)OC1COC2C(*)COC12)OC,,0.32510823,,,
+563697228,*CC(*)OCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.36910342,,,
+563771441,*c1cc(C(=O)OC)cc(N2C(=O)CC(C3Cc4ccccc4C4C(=O)N(*)C(=O)C43)C2=O)c1,,0.36013659,,,
+563896548,*c1cc(C(=O)OCCC)cc(N2C(=O)CC(C3Cc4ccccc4C4C(=O)N(*)C(=O)C43)C2=O)c1,,0.36325394,,,
+564164424,*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc1,,0.351749,,,
+564537590,*CC(*)(C)C(=O)OC1COC(CP(=O)(OCC)OCC)OC1,,0.34922258,,,
+564783421,*c1cc(C(c2ccc(OCCN(c3ccccc3)c3ccc(C=CC4=CC(=C(C#N)C#N)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(c1ccccc1)c1ccc(C=CC2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,,0.38518834,,,
+564916558,*CC(*)(C)C(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1,,0.35590587,,,
+565093443,*c1cc(C(c2ccc(OCCN(C)c3ccc(C=CC4=CC(=C(C#N)C#N)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(C)c1ccc(C=CC2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,,0.3816004,,,
+565283885,*Nc1ccc(-c2cccc(C)c2-c2ccc(N*)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1-c1ccc(C)cc1,,0.38573102,,,
+565371765,*c1ccc2c(c1)C(=O)N(C1CC(C)(C)CC(C)(CN3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)C1)C2=O,,0.37756534,,,
+565873116,*CC(*)(C)C(=O)O[Si](C)(C)C,,0.42890458,,,
+566342268,*Oc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(Oc5ccc(C(C)(C)c6ccc(*)cc6)cc5)cc4)c(C)c3)cc2C)cc1,,0.36556689,,,
+566400652,*CC(*)(Cl)C(=O)OC(C)C,,,0.1465,1.054014289,15.80245006
+566589613,*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)c5ccccc5Oc5ccccc54)cc3)cc2)cc1,,0.3739272,,,
+567353481,*c1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.38375006,,,
+567577514,*CC(*)OC(=O)OCC(Cl)(Cl)Cl,,0.35918927,,,
+567731832,*Cc1cc2cc(C(=O)Nc3ccc(Cc4ccc(NC(=O)c5cc6cc(*)c(OC(=O)COc7ccc8ccc(=O)oc8c7)cc6oc5=O)cc4)cc3)c(=O)oc2cc1OC(=O)COc1ccc2ccc(=O)oc2c1,,0.32474874,,,
+567984921,*c1ccc(Oc2ccc(NC(=O)c3ccc(Oc4cccc5c4C(=O)N(*)C5=O)cc3)cc2)cc1,,0.35386681,,,
+567993142,*Nc1ccc(/C=C/c2ccc(N*)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1,,0.32549076,,,
+568593240,*C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)c(OC)c5)cc3OC)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35923607,,,
+569949305,*CCCCCCCCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.35472454,,,
+570358353,*c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4ccc6[nH]c(*)nc6c4)C5=O)cc3C2=O)cc1,,0.39933775,,,
+571029938,*CCCCCCCCCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.38002887,,0.937930772,19.25364485
+571882834,*CCCCCCCCCCSSCCCCCCSS*,,,0.2295,1.014541659,21.63979729
+571931187,*Oc1ccc(C(C)(CC)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,,0.3617297,,,
+572496153,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc([Si](C)(C)c8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)cc4)c3)cc2)cc1,,0.37212317,,,
+572616024,*OC1CCC(OC(=O)OCCCCOC(*)=O)CC1,,0.33295317,,,
+573332233,*Nc1c(-c2ccccc2)cc(C(CC)c2cc(-c3ccccc3)c(N*)c3ccccc23)c2ccccc12,,0.37493532,,,
+573587884,*NNC(=O)CCCCC(=O)NNC(=O)CCCCCCCC(*)=O,101.0022623,,,,
+573601315,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(CC(*)=O)cc3)cc2)cc1,,0.36097789,,,
+573843297,*Nc1ccccc1C(C)(c1ccccc1)c1ccccc1N*,,0.3501796,,,
+574000870,*CC(*)(C)C(=O)OCC(CC)CCCC,,0.38032702,0.1935,0.866688073,11.16194662
+574282474,*c1ccc2c(c1)C(=O)N(c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.34319652,,,
+574709027,*C(=O)NCCCCCCNC(=O)c1ccc(*)nc1,,0.34059316,,,
+574749285,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O,,0.37114599,,,
+574869526,*Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(CN(*)C)c1O,,0.36943154,,,
+575252558,*Oc1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc(OC(*)=O)c2)c1,,0.33862324,,,
+575704525,*CC(*)c1ccc(C(=O)OCCCC)cc1,,0.37961206,,,
+575774487,*C(=O)Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.3578244699999999,,,
+575975970,*CC(OC(C)=O)C(C(=O)OCCCC)C(*)C(=O)OCCCC,,0.36399896,,,
+576074717,*CC(C)CC(*)(C)C(=O)OC,,0.34800535,,,
+576198194,*CC(*)C(CC)CC,38.96888215,,0.1883333333333333,,
+576207142,*C(=O)Nc1ccc(Cc2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.35705225,,,
+576510280,*c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-c4nnc(*)o4)cc3)c(Oc3ccccc3)c2)cc1,,0.37065873,,,
+576593207,*CCCCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.33250755,,,
+576673479,*OC(C)COC(=O)/C=C\C(*)=O,,0.31850118,,,
+577459185,*Nc1ccc(-c2ccc(N*)cc2-c2ccccc2CC=C)cc1,,0.3491245,,,
+578229955,*C(=O)NCCCCCCNC(=O)c1ccc(*)s1,42.90894132,,,,
+578399710,*c1ccc(Nc2c(F)c(F)c(-c3c(F)c(F)c(Nc4ccc(S(*)(=O)=O)cc4)c(F)c3F)c(F)c2F)cc1,,0.38004082,,,
+578503320,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)cc4)c3)cc2)cc1,,0.36351703,,,
+578621214,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C(=O)Nc8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc12,,0.35811295,,,
+579082920,*Oc1ccc(N=CC=Nc2ccc(OC(=O)Nc3cc(NC(*)=O)ccc3C)cc2)cc1,,0.35139659,,,
+579371916,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(C)CC2)cc1,,0.35879292,,,
+579657278,*Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(=S)NC(=O)c4ccc(C(=O)NC(*)=S)cc4)c3)cc2)c1,,0.34165595,,,
+579662449,*C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(-c4nc5cc(*)ccc5[nH]4)cc3)cc2)cc1,,0.355364,,,
+579955066,*Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4c(C(=O)c5ccc(*)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c4-c4ccc(F)cc4)cc3)cc2)cc1,,0.39692359,,,
+580099798,*CC(*)C(=O)Oc1ccc([N+](=O)[O-])cc1,,0.38054744,,,
+580261809,*C=C[Si](*)(c1ccccc1)c1ccccc1,,0.39366166,,,
+580635980,*Oc1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(*)cc2)cc1,,0.34425173,,,
+580687337,*CC(O)COC(=O)CCCCC(=O)OCC(O)COc1ccc(C=C(C)c2ccc(O*)cc2)cc1,,0.34074081,,,
+581074933,*Nc1ccc2c(c1)C(Cc1ccccc1)c1cc(N*)ccc1-2,,0.35149388,,,
+581609876,*c1ccc(Oc2ccc(-c3cnc4cc5nc(*)cnc5cc4n3)cc2)cc1,,0.4131264,,,
+581660606,*CC(*)(C)C(=O)OCCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1,,0.33969728,,,
+582946121,*CC(*)(C)C(=O)OCCCCn1c2ccccc2c2ccccc21,,0.3510259,0.1694999999999999,1.063120281,11.45732375
+583194891,*O[Si](*)(C)CCCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2C)cc1,,0.37464171,,,
+583338677,*CC(*)(CO)C(=O)OCC,22.36004964,,,,
+584085881,*Cc1ccc(C(C)c2ccc(CN3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)o2)o1,,0.35279512,,,
+584252027,*CCCCCCCCCCOC(=O)O*,,0.36904474,,,
+584265872,*CCN(*)C(=O)c1ccc(F)cc1F,,0.34618853,,,
+584442637,*CC(OC)C(C(=O)O)C(*)C(=O)O,,0.27178974,,,
+584754403,*CC(CO*)(CS(C)(=O)=O)CS(C)(=O)=O,,0.37089814,,,
+584859367,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(C)(C)c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.39689064,,,
+585087137,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.33992756,,,
+585151885,*CCC(=O)Nc1ccc(Oc2cccc(NC(=O)CCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.33304131,,,
+585470216,*C(=O)OCCOC(=O)c1ccc(*)o1,,0.34230194,,,
+586106490,*C=CCCCCCCC(Cl)CCCCCC*,,0.40278252,,,
+586189423,*CC(CSCC)O*,,0.41785443,,,
+587160342,*Oc1ccc(S(=O)(=O)c2ccc(Oc3cc(C)c(C(c4cc(C(C)C)c(*)cc4C)c4ccccc4C(=O)O)cc3C(C)C)cc2)cc1,,0.39980521,,,
+587553432,*Oc1ccc(-c2ccc(NC(=O)c3cc(C(=O)Nc4ccc(-c5ccc(Oc6ccc(C(c7ccc(*)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(C(F)(F)F)c5)cc4)cc(C(C)(C)C)c3)cc2)cc1C(F)(F)F,,0.37054632,,,
+588836303,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3nc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)nc(-c4ccccc4)n3)c1)C2=O,,0.37465693,,,
+589424672,*Nc1ccc(-c2ccc(N*)c(C(=C)c3ccccc3N)c2C(=C)c2ccccc2N)cc1,,0.36948301,,,
+589547196,*Nc1ccc2c(c1N*)[C@](C)(c1ccccc1)CC2(C)C,,0.36474877,,,
+589661282,*Nc1ccc(-c2ccc(N*)c3c4ccc(cc4)c23)cc1,,0.34352989,,,
+589948553,*C1C(=O)N(C(C)(C)C)C(=O)C1*,,0.39509539,,,
+590016095,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.37687293,,,
+590232504,*CC(*)(CC(=O)Oc1ccc(OCCCCC)cc1)C(=O)Oc1ccc(OCCCCC)cc1,,0.36823532,,,
+590474607,*Nc1ccccc1CCc1ccccc1NC(*)=O,207.655323,,,,
+590866562,*Oc1ccc(OC(=O)c2ccc(OCCCCCCOc3ccc(C(*)=O)cc3)cc2)cc1N=Nc1ccc(C#N)cc1,,0.35843895,,,
+590983717,*Cc1cccc(CNC(=O)c2cc(C(=O)N*)cc(C(C)(C)C)c2)c1,,0.3510241,,,
+591078724,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.37935493,,,
+591131573,*Nc1cccc(N*)c1,,0.3236545,,,
+591186983,*N=P(*)(Oc1cccc(C(F)(F)F)c1)Oc1cccc(C(F)(F)F)c1,,0.39150603,,,
+591253647,*c1cccc(-c2cc(C(=O)Nc3ccc(OC(=O)c4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)cc3)cc(-c3cccc(N4C(=O)CC(C5C=C(C)C6C(=O)N(*)C(=O)C6C5)C4=O)c3)c2)c1,,0.36971595,,,
+592007373,*Oc1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(*)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc12,,0.4002848,,,
+592083344,*O[Si](*)(CCCOCCOCCOCCOC)CCCOCCOCCOCCOC,,0.36549731,,,
+592184260,*Cc1ccc(*)cc1,,,0.267,,
+592652494,*OCCOC(=O)c1ccc(C(=O)OCCOc2nc(-c3ccc(OCCCC)cc3)nc(*)c2-c2ccc(OC)cc2)cc1,,0.35798582,,,
+592669794,*c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(N5C(=O)c6ccc(-c7cccc8c7C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.38179177,,,
+592686193,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(Oc4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)c3C#N)cc1)C2=O,,0.37962339,,,
+593164560,*Cc1ccc(-c2ccc(CSC(=O)CCCCC(=O)S*)cc2)cc1,-14.32353196,,,,
+593363809,*C(F)(F)C(=O)NCCCCCCNS(*)(=O)=O,,0.33449777,,,
+593654363,*Nc1ccc(NC(=O)CCCCCCCC(*)=O)cc1,,0.34227902,,,
+594032602,*CC(COCC=C)S*,,0.39134513,,,
+594346248,*c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8ccccc8)[nH]c7*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38623156,,,
+594528040,*Oc1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(OC(=O)c5ccc(C(*)=O)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.34941735,,,
+594735990,*CC(*)C(=O)OCCCCCCCCn1c2ccccc2c2ccccc21,,0.36038485,,,
+594803927,*OC(C)C(=O)OCC(*)=O,,0.31804756,,,
+595568506,*CCCCCCOC(=O)C(CCCCCCCCCCP(=O)(O)O)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.35805437,,,
+595580163,*CC(*)(C)C(N)=O,,0.25657854,0.145,1.041991601,16.36913311
+595611477,*CCCCCCCCCCCCNC(=O)c1ccc(C(=O)N*)c(Sc2ccccc2)c1,,0.36922015,,,
+595928255,*CC(*)CO,,0.29464648,,,
+595965977,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(OCc4ccccc4)c(*)cc3OCc3ccccc3)ccc1-2,,0.39814654,0.184,0.926806566,21.32352082
+596712589,*c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.363877,,,
+597209826,*Oc1ccc(C(=O)NCC(C)(C)CCCNC(=O)c2ccc(*)cc2)cc1,,0.34465365,,,
+597331938,*OC(=O)c1ccc(C(=O)Oc2ccc3c(c2)Oc2cc(*)ccc2C32c3ccccc3-c3ccccc32)cc1,,0.38655989,,,
+597719463,*Oc1cccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)c1,,0.36602466,,,
+598302444,*CCSSCCOCO*,,0.39441419,,,
+598348393,*Nc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(C(*)=O)c2)cc1,,0.33713633,,,
+598697113,*CCCCCCCCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.37037228,,0.934436591,17.25139441
+598835608,*CC(*)(C)C(=O)NC(=O)OC(C)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCC(C)O)c(Br)c2)cc1Br,,0.37079246,0.15,1.587307778,12.5994675
+599456393,*Cc1ccc(CNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*)cc1,,,0.359,,
+599659861,*O[Si](C)(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=C4CCC(=Cc5ccc(Oc6ccc(S(=O)(=O)c7ccc(OC(=O)CCCCCCCCC(=O)OC[Si](*)(C)C)cc7)cc6)cc5)C4=O)cc3)cc2)cc1,,0.3667682,,,
+599773122,*C1CC(*)(C#N)C1,,0.41545048,,,
+599869327,*CC(c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)C1*,,0.37701942,,,
+600169729,*C(=O)OCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.35218627,,,
+600653180,*c1ccc(Oc2cc3ccccc3cc2Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.36873488,,,
+601022774,*CCN(*)C(=O)c1ccc(F)cc1,,0.3464689,,,
+601302526,*NCCNCCN*,,0.31717722,,,
+601597696,*Oc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)cc2Oc2ccccc2)cc1,,0.34244327,,,
+601947802,*NC(CCC(=O)OCCCC)C(*)=O,,0.34392678,,,
+602240929,*c1cccc(-c2cc(C(=O)Nc3ccc(OC(=O)c4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)cc3)cc(-c3cccc(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1,,0.3719363,,,
+602268285,*CCNC(=O)c1ccc(C(=O)NCCOc2ccc3ccc(O*)cc3c2)cc1,,0.32844046,,,
+602457926,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37554378,,,
+602531963,*CCCOC(=O)CCCCCCC(=O)O*,,0.34528198,,,
+603228174,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)cc2)cc1,,0.36486297,,,
+603751130,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O)c1ccc(N=Nc2ccc(F)cc2)cc1,,0.35292509,,,
+603788368,*c1cccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4cccc(N5C(=O)c6ccc(-c7cccc8c7C(=O)N(*)C8=O)cc6C5=O)c4)cc3)cc2)c1,,0.35298703,,,
+604020908,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6ccc(Oc7cccc8c7C(=O)N(*)C8=O)cc6)c5C4=O)cc3)c2)cc1,,0.35919355,,,
+604200639,*CC(*)C(=O)OCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1,,0.36808555,,,
+604209273,*Nc1c2ccccc2c(-c2c3ccccc3c(N*)c3cccc(-c4cccc5ccccc45)c23)c2c(-c3cccc4ccccc34)cccc12,,0.37421726,,,
+604265550,*CCOCCOC(=O)C1CCC(C(=O)O*)CC1,,0.33324128,,,
+604677160,*c1ccc(Oc2ccc3ccc(Oc4ccc(-c5nc(*)nc(-c6ccccc6)n5)cc4)cc3c2)cc1,,0.40348828,,,
+604776418,*Oc1ccc(OC(=O)c2cc(OCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(C(*)=O)c2)cc1,,0.34786426,,,
+605651145,*c1ccc(-c2nc3cc(Oc4ccc(NC(=O)c5cc(C(=O)Nc6ccc(Oc7ccc8nc(-c9ccccc9)c(*)nc8c7)cc6)cc(N6C(=O)c7ccccc7C6=O)c5)cc4)ccc3nc2-c2ccccc2)cc1,,0.38397838,,,
+605771725,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(N=Nc5ccc(C)cc5)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)c(C)c2)cc1C,,0.37339461,,,
+605793172,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccc(C(c5ccc(Oc6ccc(NC(=O)c7ccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc1)C2=O,,0.36745826,,,
+605814238,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCC)cc1,,0.33942304,,,
+606001217,*CCCCCCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,,,0.342,0.911164148,18.99975515
+606308469,*CC(*)C(=O)OCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.3538219,,,
+606742148,*CCN*,,0.40888608,0.351,0.992409385,16.50971705
+607683819,*NCCOCCOCCN*,,0.31484972,,,
+607770016,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,0.36424669,,,
+607998522,*CCCCCCS(=O)(=O)CCCCCS(*)(=O)=O,,,,1.153509737,18.44065947
+608351613,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)C(C)C(C)C(*)=O,,0.33232876,,,
+608511939,*=Cc1ccc(C(=O)CCCCC(=O)c2ccc(C=C3CN(C)CC(=*)C3=O)o2)o1,95.14114513,,,,
+608604797,*Nc1ccc([C@H]2CCC[C@H](c3ccc(N*)cc3)C2)cc1,,0.35086316,,,
+609443471,*Nc1cc2cc(c1)N(CC)C(=O)c1cc(N)cc(c1)N(CC)C(=O)c1cc(N*)cc(c1)N(CC)C2=O,,0.35869989,,,
+609699139,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6nc(-c7ccc(-c8nc(*)c(-c9ccccc9)[nH]8)cc7)[nH]c6-c6ccccc6)cc5)cc4)c3)cc2)cc1,,0.39401881,,,
+610205689,*CC(*)c1ccccc1C(=O)OCC(C)C,,0.37502808,0.1696666666666666,,
+610301577,*CCOCCOCCOC(=O)CCCCCC(=O)O*,,0.33929278,,,
+610345428,*CCCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.35738719,,,
+610467941,*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc(NC(=O)c6cc(C(=O)Nc7ccc(Oc8ccc9nc(-c%10ccccc%10)c(*)nc9c8)cc7)cc(N7C(=O)c8ccccc8C7=O)c6)cc5)ccc4nc3-c3ccccc3)cc2)cc1,,0.37759682,,,
+611038154,*OC1C(CO)OC(*)C(NC(C)=O)C1O,,0.3018663,,,
+611092350,*Nc1ccc2c(c1N*)C(C)(C)C(C)(C)C2(C)C,,0.36414557,,,
+611474327,*CC(*)c1cc(C(F)(F)F)ccc1C(F)(F)F,,0.37028401,,,
+611875813,*c1cc(-c2ccc(C(=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)c(*)s1,,0.4542834,,,
+612139638,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(C=Cc2cc[n+](CCCC)cc2)cc1,,0.35814643,,,
+612238315,*O[Si](C)(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=C4CCCC(=Cc5ccc(Oc6ccc(S(=O)(=O)c7ccc(OC(=O)CCCCCCCCC(=O)OC[Si](*)(C)C)cc7)cc6)cc5)C4=O)cc3)cc2)cc1,,0.36489082,,,
+612321381,*Oc1ccc(C=CC(=O)c2ccc(Oc3ccc(C(C)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.37609357,,,
+613718745,*CC(*)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O,,0.4782126,,,
+614253049,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.34821284,,,
+614398604,*CCCCCCNC(=O)CCCCCCC(=O)N*,,0.34822579,0.345,,
+615042961,*c1ccc(Oc2cccc3c(NC(=O)c4ccc(Oc5ccc(C(=O)Nc6cccc7c(Oc8ccc(-c9nnc(*)o9)cc8)cccc67)cc5)cc4)cccc23)cc1,,0.36893685,,,
+615903439,*CCc1ccc(*)o1,,0.3766254,0.2784999999999999,1.10299243,21.29011365
+616073908,*CC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)CN4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(*)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc2)cc1,,0.34249238,,,
+616177559,*Sc1ccc(*)cc1,64.586946,,,1.231097312,21.1652389
+616276017,*c1ccc(NC2CC(=O)N(c3ccc(-c4sc(-c5ccc(N6C(=O)CC(Nc7ccc(-c8nc(-c9ccc(C=Cc%10ccc([N+](=O)[O-])cc%10)s9)[nH]c8*)cc7)C6=O)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)C2=O)cc1,,0.39689813,,,
+616326539,*CC(*)n1cc2ccccc2n1,,0.37138173,0.2075,1.124957708,13.9727997
+616797364,*NC1=CC(CC)=C(N*)[C@H]2C(=O)c3c(N)ccc(N)c3C(=O)[C@@H]12,,0.33783648,,,
+616888672,*CC(*)(C)C(=O)OCC#CO[Si](C)(C)C,,0.41218435,,,
+617569770,*Oc1ccc(C=Nc2ccc(N=Cc3ccc(Oc4ccc(C(c5ccccc5)(c5ccccc5)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.39135122,,,
+617741611,*C(=O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)c4ccc(C(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc2)C3=O)cc1,,0.37260592,,,
+617827761,*C(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4nc5cc(*)ccc5[nH]4)cc3)c2)c1,,0.35742387,,,
+618105578,*c1cc(CC(=O)OCCN(CC)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)c(*)s1,,0.37112026,,,
+618173505,*CC(*)c1ccc(F)cc1C,,,0.1413333333333333,0.994546299,15.55720188
+618916633,*Oc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC3COC4C(*)COC34)cc2)cc1,,0.33012557,,,
+619288860,*c1cccc(N2C(=O)c3cccc(Oc4ccc(Sc5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc4)c3C2=O)c1,,0.36869837,,,
+619459444,*Nc1cc(NC(=O)CCCCC(*)=O)cc(-c2nnc(-c3ccccn3)o2)c1,,0.35404898,,,
+619582212,*Oc1ccc(N=CCCCC=Nc2ccc(OC(=O)NCCCCCCNC(*)=O)cc2)cc1,,0.34722952,,,
+620886467,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCCCCCCCCCCCC)cc1,,0.36486218,,,
+621166590,*c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(=O)c5ccc(NC(=O)Nc6ccc(NC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5C4=O)cc3)n2)cc1,,0.35975912,,,
+621229234,*N=Nc1ccc(Nc2ccc(C(=O)c3ccc(Nc4ccc(*)cc4)cc3)cc2)cc1,,0.39319261,,,
+621730557,*c1cc(Br)c(Oc2c(Br)cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2Br)c(Br)c1,,0.43253856,,,
+622020530,*C1C2CC(CCCCCCCCC(=O)OCC)C(C2)C1*,,0.36983985,,,
+622295554,*CCCCCCCCC(*)Cl,,0.40010889,,,
+622583757,*NC1CCC(CC2CCC(NC(=O)CCCCCCCCCCCCC(*)=O)CC2)CC1,,0.36779404,,,
+622739506,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.376155,,,
+622744419,*C=Cc1cc(OCC(CC)CCCC)c(*)cc1OC,,0.39086339,,,
+622964705,*CCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,,,0.364,0.922711633,21.46640792
+623331916,*CCCCCCOC(=O)C(CCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O*,17.95743357,,,,
+623402372,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.35685059,,,
+623537081,*OP(=O)(Oc1ccc(NC(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)Nc4ccc(*)cc4)cc3)cc2)cc1)c1ccccc1,,0.35222708,,,
+624096781,*Nc1cc2c(cc1N*)[C@H]1c3ccccc3[C@@H]2c2cc(N)c(N)cc21,,0.38373071,,,
+624193573,*CC(*)C(=O)OCCC#N,,0.35583972,0.195,1.065811773,14.52014103
+624503496,*Nc1cc([N+](=O)[O-])c(NC(=O)CCCCCCCCCCCCC(*)=O)cc1C=Cc1ccc(N(C)C)cc1,,0.35550969,,,
+624653441,*CCCCCCCCCCOc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(-c6c(-c7ccc(-c8ccccc8)cc7)cc(-c7ccc(O*)cc7)cc6-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)c(-c3ccc(-c4ccccc4)cc3)c2)cc1,,0.36612407,,,
+624903152,*C(=O)Nc1ccc(Oc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5sc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)c(-c6ccccc6)c5-c5ccccc5)cc3)C4=O)c2)cc1,,0.3840852,,,
+625017301,*CCCNC(=O)CCCCC(=O)NCCCN(*)C,,0.34164847,,,
+625314216,*c1ccc(OC(=O)Nc2ccc(-c3ccc(NC(=O)Oc4ccc(-c5nc(-c6ccc(-c7nc(-c8ccc([N+](=O)[O-])cc8)c(-c8ccc([N+](=O)[O-])cc8)[nH]7)cc6)[nH]c5*)cc4)cc3OC)c(OC)c2)cc1,,0.37903045,,,
+625438419,*CCC1CC(=O)N(*)C1=O,,0.31621723,,,
+625535971,*C(=O)Nc1ccc(Oc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)c2)cc1,,0.3509688,,,
+626242594,*Nc1ccc(C2(c3ccc(NC(=O)c4ccc(C(*)=O)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.37325981,,,
+626677373,*Nc1ccc2c(C)cc(N*)c(C)c2c1,,0.3446566,,,
+626841881,*Nc1cc2c(cc1N*)C1(c3ccccc3-c3ccccc31)c1cc(N)c(N)cc1-2,,0.38997416,,,
+627271746,*c1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2Br)c(Br)c1,,0.40757312,,,
+627600990,*CCCCCCCCCCOCO*,,,0.297,,
+627652902,*C(=O)C1C2C=CC(C2)C1*,,0.34482539,,,
+628380881,*C(=O)Nc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(NC(=O)c5ccc(*)nc5)cc4)cc3)cc2)cc1,,0.35989736,,,
+628657458,*c1ccc2c3ccc(-c4ccc(-c5ccc(-c6ccc(*)s6)c6nsnc56)s4)cc3n(C(CCCCCCCC)CCCCCCCC)c2c1,,0.42868905,,,
+628680153,*CC(*)(C)C(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.36048254,,,
+629088925,*Nc1ccc(-c2ccc(NC(=O)c3cc(NC(=O)c4ccc(NC(=O)C(C)N5C(=O)c6ccccc6C5=O)cc4)cc(C(*)=O)c3)cc2)cc1,,0.33619542,,,
+630629376,*Oc1ccc(Cc2ccc(OC(=O)OCC3CCC(COC(*)=O)CC3)cc2)cc1,,0.35373109,,,
+630773371,*OP(=O)(Oc1ccccc1)Oc1c(Br)cc(C(c2cc(Br)c(*)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br,,0.39155263,,,
+630928117,*CC(*)(C)C(=O)OCc1c(F)cccc1F,,0.33933326,,,
+631598953,*CCOCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.33590503,,,
+631618960,*CNC(=O)OCC(OC(=O)NCc1ccc(C(CCC)c2ccc(*)o2)o1)c1ccco1,,0.35326235,,,
+631651015,*Nc1ccc(Cc2ccc(NC(=O)c3cc(NC(=O)CCCCCN4C(=O)c5ccccc5C4=O)cc(C(*)=O)c3)cc2)cc1,,0.33693236,,,
+633021524,*N=P(*)(OCCCCCCCC)OCCCCCCCC,,0.41038222,,,
+633348725,*CC(CS(=O)(=O)CCCCC)O*,,0.39727249,,,
+633555318,*CCCCCCCCc1nc2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4oc(*)nc4c3)ccc2o1,,0.35982282,,,
+633682320,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O)c1ccc(N=Nc2ccccc2)cc1,,0.36198377,,,
+633891368,*CCN(CCOC(=O)CCCCC(=O)O*)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1,,0.36249532,,,
+634005101,*OC(=O)c1cccc(C(*)=O)c1,,0.31383194,,,
+634098628,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(C(=O)c3ccccc3)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37719699,,,
+634363683,*c1ccc2[nH]c3ccc(*)cc3c2c1,246.5898577,,,,
+634587841,*CCCCCCOc1ccc(C(=O)N(C(=O)c2ccc(O*)cc2)c2ccccc2)cc1,,0.36864893,,,
+634645972,*CCC1C(=O)N(CCCCCCCCCCCCCCCCCC)C(=O)C1*,,0.39298677,,,
+635174783,*C(=O)Nc1c(C)cc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(c2c(C)cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c2C)C3=O)c1C,,0.38812467,,,
+635384570,*OCCOC(=O)CCCCC(=O)OCCOc1nc(-c2ccc(OCCCC)cc2)nc(*)c1-c1ccc(OC)cc1,,0.35402393,,,
+635778401,*C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7cccc8c(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cccc78)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36004645,,,
+636010546,*c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(O)c3)(C(F)(F)F)C(F)(F)F)cc1O)C2=O,,0.3866973,,,
+636356107,*C(F)(F)C(*)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.37519669,,,
+636526191,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1OC,,0.34293786,,,
+636697748,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc(-c3nc4ccccc4o3)cc2)cc1,,0.35811225,,,
+636769312,*Oc1ccc(OC(C)COCCCCCCCOc2ccc(-c3ccc(C(*)=O)cc3)cc2)c([N+](=O)[O-])c1,,0.34838594,,,
+636957306,*Nc1ccc(C(c2ccc(C)cc2)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.37785275,,,
+637091082,*Nc1ccccc1CCc1ccccc1N*,,0.338535005,,,
+637512395,*c1ccc(-c2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3C(F)(F)F)c(C(C)(C)C)c2)cc1,,0.40636639,,,
+637669265,*CC(*)C(=O)NCCC[N+](C)(C)C,,0.68705709,,,
+638093915,*Nc1ccc(Cc2ccc(CCCc3ccc(Cc4ccc(N*)cc4)cc3C)c(C)c2)cc1,,0.35703055,,,
+638503428,*CCCCCCCCCCOC(=O)CCCCCCCC(=O)O*,,,0.3325,0.932306919,23.93933283
+638750992,*CCOP(=O)(N=Nc1ccc(COC(=O)c2cc(C(=O)OCc3ccc(N=NP(=O)(O*)OC)cc3)cc(C(C)(C)C)c2)cc1)OC,,0.35548,,,
+638889974,*Nc1ccc(-c2ccc(N*)cc2Cc2ccc(C)cc2)c(Cc2ccc(C)cc2)c1,,0.35865855,,,
+639451609,*CC(*)(C)C(=O)OCc1c(Cl)cccc1Cl,,0.35787475,,,
+639553637,*Nc1cccc(-c2ccc(Cc3ccc(-c4cccc(N*)c4)cc3)cc2)c1,,0.34598803,,,
+639559230,*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)c2)cc1,,0.3548653,,,
+639745269,*Nc1ccc(-c2ccc(N*)cc2C)c(C)c1,,0.357459635,,,
+639748056,*C(=S)Nc1ccc(Oc2ccc(NC(=S)N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(*)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1,,0.3660155,,,
+639770063,*CC(*)(C)C(=O)OCCC1CC[N+](C)(CCCCCCOc2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)CC1,,0.36107045,,,
+639796745,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5ccc(NC(=O)Nc6ccc(Cc7ccc(NC(=O)Nc8ccc(C(=O)Nc9ccc(Oc%10ccc(NC(=O)c%11ccc(N%12C(=O)c%13ccc(*)cc%13C%12=O)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc1)C2=O,,0.34916316,,,
+639845225,*c1ccc(-c2ccc3nc(Oc4cc(-c5ccccc5)c5cc(*)ccc5n4)cc(-c4ccccc4)c3c2)cc1,,0.39441053,,,
+639994792,*OC(C)C(*)=O,,0.34796841,,,
+640271931,*c1ccc(Oc2ccc(-c3c(-c4ccccc4)nc4ccc(Oc5ccc6nc(-c7ccccc7)c(*)c(-c7ccccc7)c6c5)cc4c3-c3ccccc3)cc2)cc1,,0.39811449,,,
+640368237,*C=C(C#N)c1ccc(-c2ccc(C=CC3=CC(=C(C#N)C#N)C=C(C=Cc4ccc(-c5ccc(C(C#N)=Cc6cc(C=C(C#N)c7ccc(-c8ccc(C=CC9=CC(=C(C#N)C#N)C=C(C=Cc%10ccc(-c%11ccc(C(C#N)=C*)cc%11)s%10)O9)s8)cc7)c7c(c6)C(CC)(CC)c6cc(*)ccc6-7)cc5)s4)O3)s2)cc1,,0.40990352,,,
+640431640,*OS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)Oc3c(Br)cc(C4(c5cc(Br)c(*)c(Br)c5)CCCCC4)cc3Br)cc2)cc1,268.4647521,,,,
+640690307,*C(=O)c1cc2c(cc1Cl)C(=O)N(c1cccc(N3C(=O)c4cc(*)c(Cl)cc4C3=O)c1)C2=O,,0.38683576,,,
+641501724,*Nc1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc(C(*)=O)cc3)cc2)cc1C(=O)OCCCCCCCCCCCC,,0.35299755,,,
+642211921,*NC[C@H]1CC[C@H](CN*)CC1,,0.33898524,,,
+642330071,*Oc1ccc(-c2ccc(OC(=O)c3cc(N=Nc4ccc(OCC)cc4)ccc3-c3ccc(N=Nc4ccc(OCC)cc4)cc3C(*)=O)cc2)cc1,,0.37270172,,,
+642473337,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(NC(=O)c4cccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c4)cc3)c1)C2=O,,0.35936185,,,
+642535209,*CCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.35003142,,,
+642639550,*c1nc(C)nc(N(CCCCN(*)c2ccccc2)c2ccccc2)n1,,0.39040149,,,
+642668949,*Oc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)c2)c1,,0.35172352,,,
+642673445,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)CCCCCCC(=O)Nc4cccc(O*)c4)c3)cc2)cc1,,0.33977526,,,
+643189465,*Nc1c(-c2ccccc2)cc(-c2ccc(-c3cc(-c4ccccc4)c(NC(=O)c4ccc(C(*)=O)cc4)c(-c4ccccc4)c3)cc2)cc1-c1ccccc1,,0.38237528,,,
+643385335,*CC(*)OC(F)(C(F)(F)F)C(F)(F)F,,0.33430951,,,
+643400948,*O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.42793636,,,
+643664826,*CCC(C)CCOC(=O)CCCCC(=O)O*,,0.34352817,,,
+644108438,*CC(OC(=O)OCC)C(COC(=O)O*)OC(=O)OCC,,0.32380857,,,
+644505079,*Oc1ccc(S(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.37231355,,,
+644711726,*CC(*)C(=O)Oc1c(F)c(F)c(F)c(F)c1F,,0.33973517,,,
+644898772,*Nc1ccc(CC(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36495838,,,
+645076897,*NC(=O)c1cc(C(=O)Nc2nc(*)nc(-c3ccccc3)n2)c(C(=O)OC(=O)Nc2cc(NC(=O)OCCCCCCCC)ccc2C)cc1C(=O)O,-1.691479041,,,,
+645165602,*CC(*)(C)C(=O)OCCCCCCCCCCCCCC,,0.38812321,0.3115,0.862307366,11.14771595
+645691711,*CCCCCCCCCCOC(=O)c1ccc(C(=O)NCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,76.72929425,,,,
+646292703,*c1ccc(-c2ccc(-c3ccc(-c4ccc(*)n4CCCCCCCCCCCC)s3)s2)s1,,0.41937735,,,
+646573750,*Oc1ccc(C(C)=Nc2ccc(N=C(C)c3ccc(Oc4ccc(C(C)(C)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.38124481,,,
+646596041,*Nc1cc(C2(c3ccc(O)c(N*)c3)c3ccccc3-c3ccccc32)ccc1O,,0.3549773,,,
+646682941,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccc(C(=O)c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)cc3)c1)C2=O,,0.36114859,,,
+647076607,*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(S(=O)(=O)c3ccc(O*)cc3)cc2)c1,,0.33964291,,,
+647273188,*CC(*)c1cc(C(=O)Oc2ccc(OCCCCCCCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCCCCCCCC)cc1,,0.37509747,,,
+647435977,*C(=O)NCCCCCCNC(=O)c1ncn(C)c1*,,0.33524849,,,
+647484326,*CCCCCCOC(=O)c1cc(OCCCCCCOc2ccc(N=Nc3ccc(C#N)cc3)cc2)cc(C(=O)OCCCCCCN2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.35510347,,,
+648079347,*CC1CCCC(CN2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)C1,,0.35269829,,,
+648145091,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(Oc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c2)cc1,,0.35833955,,,
+648159856,*Nc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2cc(C(C)(C)C)c(N*)c1C(C)(C)C,,0.39847901,,,
+648267860,*CCOCCOCCOC(=O)NCCCCCCNC(=O)O*,,0.33323045,,,
+648602021,*c1ccc(Nc2ccc(C3(c4ccc(Nc5ccc(S(*)(=O)=O)cc5)c(F)c4)c4ccccc4-c4ccccc43)cc2F)cc1,,0.40886141,,,
+648833303,*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(*)cc3)c2)cc1,,0.34689579,,,
+649508995,*CCCCCOC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)O*,,0.31700681,,,
+649600195,*CCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.35477028,,,
+650082699,*Oc1c(C)cc(*)cc1C(C)CCCCCC,,0.41283959,,,
+650711958,*CC(CO*)(CSCC)CSCC,,0.41686273,,,
+651742804,*CC(=O)NCCCCCCNC(=O)COC(=O)CCCCC(=O)O*,,0.32189128,,,
+651985897,*OS(=O)(=O)c1cc(S(=O)(=O)Oc2ccc(C3(c4ccc(*)cc4)CCCCC3)cc2)ccc1C,,0.36712523,,,
+652006110,*Nc1cc(N*)c2ccc3cccc4ccc1c2c43,,0.33628882,,,
+652579546,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)cc4)n3)cc2)cc1,,0.35683183,,,
+652611709,*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C5(c6ccc(*)cc6)CC6CCC5C6)cc4)cc3)c2)cc1,,0.36723415,,,
+652803633,*Nc1ccc(/C=C/c2c3ccccc3c(/C=C/c3ccc(N*)cc3)c3ccccc23)cc1,,0.3630577,,,
+652821562,*CCCCCCCCCOC(=O)CCC(=O)O*,,0.3543665,,,
+654743416,*C(=O)Nc1ccc(-c2ccc(N3C(=O)CC(N4C(=O)c5ccc(*)cc5C4=O)C3=O)cc2)cc1,,0.35106689,,,
+655941482,*Oc1ccc(OC(=O)c2ccc(C(C)(C)c3ccc(C(*)=O)cc3)cc2)cc1,,0.35709066,,,
+656702107,*Oc1ccc(P(C)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1,,0.37833818,,,
+657146499,*CCCCCCCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.35494054,,,
+657445738,*CCOCCOCCOCCOCCOCCOC(=O)c1cc(OCCCCCCOc2ccc(-c3ccc(OC)cc3)cc2)cc(C(=O)O*)c1,,0.34770487,,,
+658598412,*N=P(*)(C)C,,0.35255216,,,
+658967063,*C(=O)NCCN(CCNC(=O)c1cccc(N2C(=O)c3ccc(*)cc3C2=O)c1)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.34009397,,,
+659061902,*C/C=C\C[Si](*)(C)c1ccccc1,,0.37739733,,,
+659538579,*Nc1cc(-c2ccccc2N*)cc(-c2cc3cc4ccccc4cc3c3cc4ccccc4cc23)c1,,0.36115778,,,
+659864655,*CCCCCCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.35035919,,,
+660205165,*Nc1ccc2c(c1-c1c(N*)ccc3c1CCCC3)CCCC2,,0.36667006,,,
+660253930,*c1ccc(-c2sc(-c3ccc(-c4cc(CCCC)c(*)s4)cc3)cc2CCCC)cc1,,0.50077803,,,
+660384405,*Nc1ccc(-c2ccc(C3(c4ccc(-c5ccc(N*)cc5)cc4)CCCCC3)cc2)cc1,,0.36004409,,,
+660515467,*c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)(C)C)c3)cc1C(C)(C)C)C2=O,,0.41254221,,,
+661619581,*C=Cc1sc(-c2ccc(-c3ccc(-c4sc(C=CC5=CC(=C(C#N)C#N)C=C(*)O5)c(CCCCCC)c4CCCCCC)s3)s2)c(CCCCCC)c1CCCCCC,,0.42318746,,,
+661822184,*CC(=O)C(*)c1ccccc1,,0.36460846,,,
+661865874,*C(C)=C(*)[Si](C)(C)CC[Si](C)(C)C,,0.4237153,,,
+662156764,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35745831,,,
+662815164,*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1-c1cccc(C)c1,,0.38304917,,,
+663037039,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc4c(=O)n5c6cc(Oc7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.38434287,,,
+663206655,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1-c1cc(C)cc(C)c1,,0.38469279,,,
+663317313,*c1sc(*)c(OCCCCCCC)c1C,32.04437108,,,,
+663564627,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)c(OCCCCCCS(=O)(=O)c2ccc(C=Cc3ccc(N(C)C)cc3)cc2)c1,,0.3564308,,,
+663877510,*c1sc(*)c(OCCCCCCCCCCCCCC)c1C,,,0.43675,0.944296325,14.84412514
+663963917,*C(=O)NNC(=O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)NNC(=O)c3ccc(*)o3)cc2)cc1,,0.37010873,,,
+664013994,*NCCc1c2ccccc2c(N*)c2ccccc12,,0.33811641,,,
+664173456,*CC(*)(C)C(=O)OCC(=O)Nc1cc(C)on1,,0.3312576,,,
+664256549,*Nc1ccc(C2(c3ccc(N*)cc3)CCC([C@H]3CC[C@H](C)CC3)CC2)cc1,,0.36506372,,,
+664408041,*C(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(-c4cc(-c5nc6cc(*)ccc6[nH]5)cc(N5C(=O)c6ccccc6C5=O)c4)nc3c2)c1,,0.36836215,,,
+664447199,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC1=C(*)c2cccc3cccc1c23,,0.41112209,,,
+664683374,*Nc1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1N*,,0.34387937,,,
+664875746,*CC(*)(C)C(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCCCC)cc2)cc1,,0.3596616,,,
+664999383,*CCCCCCCCCCCCOc1ccc(C(C)Cc2ccc(-c3ccc(O*)cc3)cc2)cc1,,0.38201502,,,
+665327981,*C=C(*)C(CCCCC)[Si](C)(C)C,,0.42424985,,,
+665803754,*CCCCCCCNC(=O)N*,,0.34708922,,,
+666199912,*C([2H])([2H])C(*)([2H])C([2H])([2H])[2H],,0.3861434,,,
+666249832,*CC=CC[Si](*)(C=C)C=C,,0.40464632,,,
+666714004,*Oc1c(C)cc(-c2cc(C)c(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)c(C)c2)cc1C,,0.40345957,,,
+666813875,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1,,0.34475093,,,
+666970760,*C(=O)Nc1ccc(NC(=O)c2ccc3[nH]c(-c4cccc(-c5nc6cc(*)ccc6[nH]5)c4)nc3c2)cc1,309.3374253,,,,
+667460496,*CCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.34741734,,,
+667477556,*Nc1ccc(-c2ccc(-c3ccc(N*)cc3)c3cc(C)ccc23)cc1,,0.36429835,,,
+667584010,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(Sc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)cc2)cc1,,0.36605169,,,
+667591489,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCCOCCOc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.34402774,,,
+667840086,*CCCCCCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,,0.35533448,0.2955,0.988248519,19.25074729
+668141599,*Oc1ccc(OC(=O)Oc2ccc(C(*)=O)cc2)cc1,,0.33148318,,,
+668621779,*Cc1cccc(CNC(=O)CCC2(CCC(=O)N*)c3ccccc3-c3ccccc32)c1,,0.34266557,,,
+668704885,*c1ccc(Oc2ccc(-c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3-c3ccccc3)C(=O)N(c3ccc(N5C(=O)c6c(c(-c7ccccc7)c(-c7ccccc7)c(*)c6-c6ccccc6)C5=O)cc3)C4=O)cc2)cc1,,0.41683897,,,
+668824734,*CC(C)(CO)CO*,,0.33612908,,,
+668903098,*C1CCC(CC2CCC(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)C(C)C2)CC1C,,0.37632492,,,
+669620499,*CCSCc1ccc(Cc2ccc(CSCCOC(=O)CSCc3ccc(Cc4ccc(CSCC(=O)O*)cc4)cc3)cc2)cc1,,0.36564834,,,
+669636470,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccccc7Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.36159124,,,
+669639800,*NC1CCC(CC2CCC(NC(=O)CCCCC(*)=O)CC2)CC1,,0.35191825,,,
+670004959,*OC(COC(=O)c1ccc(C(*)=O)c(OC)c1)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35609742,,,
+670279906,*C(=O)Nc1ccc(Oc2cc(C(C)(C)C)c(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C7(c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)CC8CC7C7CCCC87)cc6)cc4)C5=O)cc3)cc2C(C)(C)C)cc1,,0.38634779,,,
+670455816,*CCOCO*,,0.34034968,,,
+670472475,*c1cccc(N2C(=O)c3ccc(Oc4cc5ccccc5cc4Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37256174,,,
+670589484,*Nc1ccc2cccc(-c3cccc4ccc(N*)cc34)c2c1,,0.35323413,,,
+670939419,*CCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(CCOC(=O)c4cccc(C(=O)O*)c4)cc3)c2)cc1,,0.34340117,,,
+671093250,*c1ccc(Oc2ccc(C(C)(c3ccccc3)c3ccc(Oc4ccc(-c5nc(-c6ccccn6)nnc5*)cc4)cc3)cc2)cc1,,0.39778842,,,
+671188865,*CC(*)(C)C(=O)OCc1ccc(C=CC(=O)Oc2ccc(OC)cc2)cc1,,0.33755795,,,
+671342841,*CCCCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccccc2)c1,,0.35113383,,,
+671423635,*CC(*)(C)C(=O)OCCCCCCn1c2ccccc2c2ccccc21,,0.35236027,,,
+671507896,*OC(CCCCC)CC(*)=O,,0.36904255,,,
+671591388,*N/C1=N/OC(O)(O)O/N=C(/N*)C/C(N)=N/OC(O)(O)O/N=C(\N)C1,,0.28254764,,,
+671751803,*Sc1ccc(Sc2ccc(Sc3ccc4c(c3)C(=O)N(N3C(=O)c5ccc(*)cc5C3=O)C4=O)cc2)cc1,,0.38648084,,,
+672322123,*c1ccc(OCCCCCCCCCCCOC(=O)c2ccc(C(=O)OCCCCCCCCCCCOc3ccc(-c4nnc(*)s4)cc3)cc2)cc1,,0.37335529,,,
+672610446,*C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5nc6cc(*)ccc6nc5-c5ccccc5)cc4)cc3)nc2c1,,0.41566433,,,
+673060988,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C)cc(C(c4cc(C)c(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)c(C)c4)c4cccc5ccccc45)cc3C)cc1)C2=O,,0.40356882,,,
+673094713,*Nc1ccc(-c2cccc(-c3ccccc3N*)c2)cc1,,0.34307779,,,
+673172746,*Oc1ccc(C(c2ccc(OC(=O)c3ccccc3-c3ccccc3C(*)=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.3557624,,,
+673214221,*C=CC1CC(*)C2C(=O)N(c3cccc(F)c3)C(=O)C12,,0.37532295,,,
+673225351,*c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c(F)c4)c4ccccc4-c4ccccc43)cc1F)C2=O,,0.42499356,,,
+673445970,*CC(*)c1cc(C(=O)OCCCCCCCCCCCC)ccc1-c1ccc(OCCCCCCCC)cc1,,0.38816333,,,
+673499218,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCCOCCOCCOc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.33962987,,,
+673704172,*CC(*)(C)C(=O)OCCOCCOC,,0.33828721,,,
+673883343,*C[Si](*)(CCCC)CCCC,,0.40581493,,,
+673984159,*CC(C(C)C)C(COC(=O)c1ccc(C(=O)O*)cc1)C(C)C,,0.35713078,,,
+674610445,*Nc1c(N*)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1,,0.37324371,,,
+674648279,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36239685,,,
+674773828,*Nc1ccc(/C=C/c2ccc(NC(=C(C#N)C#N)c3ccc(C(*)=C(C#N)C#N)cc3)cc2)cc1,,0.4055685,,,
+674973559,*C(=O)OC1CC2CC(OC(=O)N3CCN(*)CC3)CC(C1)O2,,0.33921521,,,
+675621867,*OC(=O)c1ccc(CCCCc2ccc(C(*)=O)cc2)cc1,,0.35446575,,,
+676068988,*CCCCCCCCNC(=O)CCCCCCCCC(=O)N*,,0.35653288,0.392,,
+676116191,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)CCCC(*)=O,,0.32224016,,,
+676718973,*Nc1ccc2c(-c3ccccc3)c3cc(N*)ccc3cc2c1,,0.35297374,,,
+676741869,*c1cccc(-c2nc3cc(-c4ccc5c(c4)nc(*)n5CCCS(=O)(=O)O)ccc3n2CCCS(=O)(=O)O)c1,208.6363648,,,,
+677190542,*c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(N4C(=O)c5ccc(NC(=O)Nc6cccc(NC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)n6)cc5C4=O)cc3)ccc3ccccc23)cc1,,0.35781631,,,
+677732142,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc2)cc1,,0.35682307,,,
+677771115,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.34677139,,,
+677895437,*c1cc(-c2sc(-c3cc(CCCC)c(*)s3)cc2CCCC)c2cccccc1-2,,0.45832341,,,
+678137113,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.37813384,,,
+678912517,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1,,0.3526035,,,
+678917308,*CC(C)(C)C(=O)O*,,0.3478783,,,
+679096847,*c1cc(-c2sc(-c3cc(CCCCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCCCC)c2cccccc1-2,,0.42191423,0.316,,
+679122345,*OP(=O)(Oc1ccc(Cl)cc1)Oc1c(Cl)c(Cl)c(*)c(Cl)c1Cl,,0.35896209,,,
+679270138,*Nc1ccc2c(c1)C1(c3cc(N*)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21,,0.401012485,,,
+679274532,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.36028075,,,
+679404420,*c1ccc(-c2ccc(N3C(=O)c4c(c(-c5ccccc5)c(-c5ccc(Oc6ccc(-c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7-c7ccccc7)C(=O)N(*)C8=O)cc6)cc5)c(-c5ccccc5)c4-c4ccccc4)C3=O)cc2)cc1,,0.41331877,,,
+679533117,*Nc1ccc([C@@H](c2ccccc2)c2ccc(N*)c([C@@H](c3ccccc3)c3ccc(N)cc3)c2)cc1,,0.36527705,,,
+679561961,*CCCC(*)(C)C,,0.4001286,0.236,0.780478615,15.7837124
+679722974,*c1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4ccc(-c5ccc(*)nc5)cc4)cc3)cc2)cc1,,0.38782954,,,
+679930104,*Oc1ccc(NC(=O)c2cc(-c3ccc(C(=O)O)c(C(=O)Nc4ccc(*)cc4)c3)ccc2C(=O)O)cc1,,0.32759097,,,
+680389374,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(OP(=O)(Oc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c3ccccc3)c1)C2=O,,0.36051533,,,
+680463465,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C5(*)OC(=O)c6ccccc65)cc4)cc3)cc2)cc1,,0.37707713,,,
+680864768,*Nc1ccc([C@H](CCC)c2ccc(C3(c4ccc([C@@H](CCC)c5ccc(N*)cc5C)cc4)CCC(CC)CC3)cc2)c(C)c1,,0.37733794,,,
+680937306,*c1ccc(Oc2ccc(-c3nc4ccc(-c5ccc6nc(*)c(-c7ccccc7)c(-c7ccccc7)c6c5)cc4c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,,0.41401327,,,
+680984529,*CC(*)(C)C(=O)OCCCCCC(=O)Oc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1,,0.35200857,,,
+681027587,*Nc1ccc2c(c1)C(C)(C)C[C@@]2(C)c1ccc(C)c(N*)c1,,0.36931693,,,
+681043697,*N[C@H]([C@H](N)CO)[C@@H](C=O)N*,,0.29472279,,,
+681148438,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(Oc4ccccc4Oc4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)cc3)c1)C2=O,,0.35765062,,,
+681382026,*CC(c1ccccc1)C1C(=O)N(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1*,,0.3562068,,,
+681607778,*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccc(N=Nc2ccc(C)cc2)cc1,24.09354398,,,,
+682136136,*CC1(CO*)CC2CCC1CC2,81.08225465,,,,
+682392464,*CC(OCC(C)C)C(C)(C(=O)OC)C(*)(C)C(=O)OC,,0.36938061,,,
+682727526,*C1C(=O)N(c2ccccc2C(=O)OCC)C(=O)C1*,,0.37540296,,,
+682848245,*c1cccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.36290404,,,
+683188751,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.35282718,,,
+683707675,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc([Si](C)(C)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.37681981,,,
+684755734,*OP(=O)(Oc1ccccc1)Oc1ccc(-c2ccc(*)cc2)cc1,,0.34952529,,,
+684934727,*Nc1ccc(/C(C)=C(/CCC=C)c2ccccc2-c2ccc(N*)cc2)cc1,,0.36161485,,,
+685115474,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.39820678,,,
+685261613,*Nc1ccc2c(c1)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c1cc(N*)ccc1-2,,0.3674647,,,
+685427135,*OC(CCc1ccccc1)CC(*)=O,,0.35135423,,,
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+686526509,*CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](*)(C)C,,,0.408,0.872184477,20.26505078
+686833175,*/C=C(/*)C#CCCCCCCCCCCCCCCCCCCCCC(=O)O,,,0.4105,0.885736749,15.06400186
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+687545221,*CCC=C(*)c1ccccc1,,0.38403531,,,
+687772920,*CCN(CCCCCOc1ccc(N=Nc2ccccc2)cc1)CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,,0.35497879,,,
+687864744,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)Oc5ccc(C(C)(C)c6ccc(OC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)CCC(C(C)(C)C)CC2)cc1,,0.37364551,,,
+688101886,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.37198635,,,
+688122210,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(CCC(=O)O)c4ccc(*)cc4)cc3)cc2)cc1,,0.36717423,,,
+688609690,*c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)CCCCCCCCCCC6)cc5)cc4C3=O)cc2)cc1,,0.38469309,,,
+688616302,*CCCCCCCCNC(=O)NCc1ccc(CNC(=O)N*)cc1,,0.33930014,,,
+688656899,*SCC(=O)NN=Cc1ccc(OCCCCCCCCCCOc2ccc(C=NNC(=O)CSc3nnc(*)s3)cc2OC)c(OC)c1,,0.36310288,,,
+688760840,*OC(COC(=O)c1cccc(C(*)=O)c1)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35979025,,,
+689174669,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3cc(F)c(*)cc3F)ccc1-2,,0.41547343,,,
+689311182,*CC(O)COC(=O)C1CCC(C(=O)OCC(O)COc2ccc(C(C)(C)c3ccc(O*)cc3)cc2)CC1,,0.334916,,,
+689497002,*CC(*)C(=O)OCCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.3457648,,,
+689573357,*CC(*)c1ccc([Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1,,0.48916637,,,
+689602556,*c1ccc2cc3cc(-c4sc(-c5cc(CCCCCCCCCCCC)c(*)s5)cc4CCCCCCCCCCCC)ccc3cc2c1,,0.4098993,,,
+689672575,*c1c(C)cc(-c2cc(C)c(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c(C)c2)cc1C,,0.38990238,,,
+690246774,*CC(O)COC(=O)c1cccc(C(=O)OCC(O)COc2ccc(C(C)(C)c3ccc(O*)cc3)cc2)c1,,0.33980018,,,
+690444653,*c1cccc(-c2nc3cc(-c4ccc5[nH]c(*)nc5c4)ccc3[nH]2)c1,,0.41970878,,,
+690772081,*CCOCCOC(=O)CCCCC(=O)O*,,0.33115638,,,
+691002570,*c1ccc(-c2ccc(-c3cc(-c4ccc(Oc5ccc(-c6cc(*)nc7ccccc67)cc5)cc4)c4ccccc4n3)cc2)cc1,,0.39515201,,,
+691154706,*CC(*)(CC(=O)OCCCC1CCCCC1)C(=O)OCCCC1CCCCC1,,0.37003556,0.199,,
+691219107,*CCCCCCCCCCSS*,,0.43577618,,,
+691290005,*C(c1ccccc1)C(*)[N+](=O)[O-],173.9913454,,,,
+691340990,*c1ccc(-c2nc3cc4nc(*)[nH]c4cc3[nH]2)cc1,340.5865983,,,,
+691396928,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)c1ccc(C(*)=O)cc1,,0.3307198,,,
+691744465,*CCCCCCN(C)c1ccc(C(=O)c2ccc(N(*)C)cc2)cc1,,0.37816076,,,
+691831381,*CC(*)(C)C(=O)Oc1ccc(C=Cc2ccccc2)cc1,,0.36180049,,,
+691986630,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.36858029,,,
+692037059,*CC(*)c1cc(C)c(C)cc1C,,0.40919806,0.2095,,
+692373242,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1Cl,119.6241841,,,,
+692434994,*C1C(=O)N(C(C)CC)C(=O)C1*,,0.38386027,,,
+692810892,*Nc1ccc(C(C)(C)c2ccc(NC(=O)c3cc(C(*)=O)cc(N4C(=O)C5C6CCC(C6)C5C4=O)c3)cc2)cc1,,0.3598038,,,
+693011985,*Nc1ccc(-c2ccc(N*)c(N)c2)cc1N,,0.33019375,,,
+695348815,*/C=C/c1cc(CCCCCC)c(/C=C/c2ccc(*)cc2)cc1CCCCCC,51.04706134,,,,
+695374943,*CC(*)(CC(=O)Oc1ccc(OC)cc1)C(=O)Oc1ccc(OC)cc1,,0.33732889,,,
+695536292,*O*CCCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(Cl)c(OC(=O)c4ccc(-c5ccc(OC(=O)CCCCCCCCC(*)CO*)cc5)cc4)c3)cc2)cc1,,0.38046147,,,
+695925726,*CC/C(C)=C(/*)C,,,,0.817744643,14.53648643
+695940452,*CCCCCSS*,,0.45235831,,,
+696483165,*Oc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccc(OC(=O)CCCCCCCCC(*)=O)cc4)cc3)cc2)c2ccccc2)cc1,,0.3779872,,,
+696705390,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cc(Br)cc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,0.379535,,,
+696713776,*c1ccc2c(c1)C(=O)N(c1cc(OCCN(CC)c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,,0.154,1.205461036,17.1881696
+698037323,*CC(*)OC(=O)C(C)(CC)C(C)(C)C,,0.37558012,,,
+698053626,*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,,0.32595019,0.113,,
+698200988,*C(=O)Nc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc(-c2nc3ccccc3[nH]2)c1,,0.36147355,,,
+698615321,*C=Cc1cc(OCC(CC)CCCC)c(C=Cc2cc(OC)c(*)cc2OC)cc1OC,,0.3762763,,,
+699007218,*C#CC#Cc1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)cc(*)c3n(CCCCCCCCCCCCCCCC)c12,,0.41367738,,,
+699175207,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(C(=O)O)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.3614755,,,
+699184717,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4c(C)ccc5c(C(=O)c6ccc(*)cc6)c(C)ccc45)cc3)cc2)cc1,,0.39186106,,,
+699462327,*Oc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(*)c(F)c3F)c(F)c2F)cc1S(=O)(=O)O,,0.36032726,,,
+699667055,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(Oc8ccc(C(C)(C)c9ccc(*)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.37043796,,,
+699908244,*CCCCCC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)CCCCCN4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.3404124,,,
+699928185,*OP(=O)(Oc1ccc(C(C)(C)c2ccc(*)cc2)cc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,0.36757265,,,
+700020481,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.39550318,,,
+700619853,*CC(*)(C)C(=O)OCCc1ccc(N=Nc2ccc(OC(F)(F)F)cc2)cc1,,0.35475551,,,
+700771684,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5cnc6ccc(-c7ccc8ncc(*)nc8c7)cc6n5)cc4)cc3)cc2)cc1,,0.38386656,,,
+700931497,*ON(C(F)(F)F)C(F)(F)C(*)(F)F,,0.30488476,0.0905,1.732295687,17.31090487
+700994258,*c1ccc(OCOc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)oc3*)cc2)cc1,,0.38196728,,,
+701170718,*CC(*)c1ccccc1C(=O)OCCN(C)C,,0.36119268,0.1853333333333333,,
+701980913,*Sc1cccc(Sc2ccc(Sc3ccc(*)cc3)cc2)c1,,0.39236432,,,
+702351726,*CC(*)(C)C(=O)OCCN(CCCC)c1ccc(N=Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,,0.37056907,,,
+702495781,*Nc1cccc(C(C)(c2ccccc2)c2cccc(N*)c2)c1,,0.35162648,,,
+702860275,*c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(Sc4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc1)C2=O,,0.38497663,,,
+703506417,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(OCCOc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.34759445,,,
+703616126,*Oc1ccc(NC(=C(C#N)C#N)c2ccc(-c3ccc(C(Nc4ccc(*)cc4)=C(C#N)C#N)cc3)cc2)cc1,,0.41214769,,,
+704321363,*c1ccc(-c2ccc(-c3cnc4cc(-c5ccc6nc(*)cnc6c5)ccc4n3)cc2)cc1,,0.40589633,,,
+704562669,*CCCCCCOC(=O)NCCCCCCNC(=O)O*,,0.3465094,,,
+704596053,*CC(C)CO*,,0.38408676,,,
+704720758,*Nc1ccc(C2=CC(c3ccccc3)=C[C@@](c3ccccc3)(c3ccc(N*)cc3)[C@@H]2c2ccccc2)cc1,,0.37453464,,,
+704923125,*COC(=O)Nc1ccc(Cc2ccc(NC(=O)OCc3cocc3*)cc2)cc1,,0.33693682,,,
+705117177,*CCOCCOCCOC(=O)CCCCCCCC(=O)O*,,,0.267,,
+705738216,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5c(c(-c6ccccc6)c(-c6ccc(Oc7ccc(-c8c(-c9ccccc9)c9c(c(-c%10ccccc%10)c8-c8ccccc8)C(=O)N(*)C9=O)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)C4=O)c3)c2)c1,,0.39052632,,,
+705844179,*c1c(C)cc(C)c(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3C2=O)c1C,,0.3880841,,,
+705855235,*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(C(C)(C)C)c2)cc1,,0.36167594,,,
+707258420,*CC(*)C(=O)OCCCOCC,,0.3584849,,,
+707285446,*Oc1cccc2cc(OC(=O)c3ccc(Oc4ccc(C(*)=O)cc4)cc3)ccc12,,0.35254861,,,
+707686102,*Nc1ccc(Oc2ccc(Oc3ccc(N*)cc3)c3c2[C@H]2c4ccccc4[C@@H]3c3ccccc32)cc1,,0.37675561,,,
+707792324,*CC(*)(C)C(=O)OC(COc1ccc(-c2ccccc2)cc1)COc1ccc(-c2ccccc2)cc1,,0.34956652,,,
+707895073,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5cccc(C(F)(F)F)c5)C6=O)cc4)cc3)cc2)cc1,,0.37753065,,,
+708266844,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1,,0.36753658,,1.20752232,22.21547246
+708515334,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.41414112,,,
+708745541,*C=CC(C)C(*)C(=O)OC12CC3CC(CC(C3)C1)C2,,0.3828539,,,
+708888125,*CC1(C)CC(*)(C)C(=O)OC1=O,,0.30782553,,,
+709065178,*NC1=c2ccc3ccc(N*)c4ccc(c2c34)CC1,,0.33334422,,,
+709226489,*c1cc2sc(-c3sc(-c4cc(CCCCCCCCCCBr)c(*)s4)cc3CCCCCCCCCCBr)cc2s1,24.95900908,,,,
+709267633,*c1ccc(Oc2ccc(-c3cnnc(-c4cccc(-c5ncc(*)nn5)n4)n3)cc2)cc1,,0.41536896,,,
+709856096,*C(=O)Nc1c(C)cc(Cc2cc(C)c(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(N=Nc5ccc(OC(F)(F)F)cc5)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)c(C)c2)cc1C,,0.37184486,,,
+709886400,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(-c2nc3ccccc3[nH]2)c1,,0.35887119,,,
+710418627,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.3506977,,,
+711711106,*c1ccc(Oc2c(C)cc(Cc3cc(C)c(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)c(C)c3)cc2C)cc1,,0.3857049,,,
+712008066,*CC(*)OC(=O)c1nn(C(C)=O)c2ccccc12,,0.34764523,,,
+712061261,*CC(CS(=O)(=O)CCCC)O*,,0.38279045,,,
+712113333,*C(=O)c1ccc2c(c1)C(=O)N(c1c(C(C)C)cc(Cc3cc(C(C)C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O,,0.43503278,,,
+712239619,*CCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCNC(=O)C(=O)N*,,,0.3315,0.973462542,22.44231118
+712424232,*c1ncnc(N(CCCCCCCCCCN(*)c2ccccc2)c2ccccc2)n1,,0.38355919,,,
+712525184,*CC(*)c1cc(C(=O)Oc2ccc(OCCCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCCCC)cc1,,0.36539229,,,
+712532019,*Nc1ccc(N*)c(-c2cccc3ccccc23)c1,,0.34706164,,,
+713020314,*C=CCC*,,0.41866094,,,
+713163686,*N=P(*)(OCc1ccccc1)OCc1ccccc1,,0.35649541,,,
+713393124,*CC(*)C(=O)N1CC[NH+](CC)CC1,,0.6509068,,,
+714476191,*c1ccc(CC(=O)Nc2ccc(NC(=O)Cc3ccc(-c4sc(*)c(-c5ccccc5)c4-c4ccccc4)cc3)cc2)cc1,,0.38234707,,,
+714511257,*c1ccc(-c2nc3ccc(Oc4ccc5nc(*)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1,,0.45462761,,,
+714806677,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(Oc3c(C)cc(-c4cc(C)c(Oc5cc(N6C(=O)c7ccc(*)cc7C6=O)cc(C(F)(F)F)c5)c(C)c4)cc3C)cc(C(F)(F)F)c1)C2=O,,0.38618508,,,
+714836323,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(-c3nc4ccccc4[nH]3)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.39603335,,,
+715482561,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc1,,0.3574338,,,
+716027443,*CCCCCCOC(=O)Nc1cccc(P(=O)(c2ccccc2)c2cccc(NC(=O)O*)c2)c1,,0.35310551,,,
+716481605,*Nc1c(N*)c2c3ccccc3cc3ccc4cccc1c4c32,,0.34230926,,,
+716683288,*Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(*)cc3)cc2)cc1,,0.36840915,,,
+717229286,*N=P(*)(OCCC(=O)C=C)OCCC(=O)C=C,-42.12432011,,,,
+717633419,*O[Si](C)(C)c1ccc2cc([Si](*)(C)C)ccc2c1,,0.41010806,,,
+717936443,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)c1cccc(C(*)=O)c1,,0.33111951,,,
+718095822,*CCCCCCCCCCCCOC(=O)CC/C=C/CCC(=O)O*,,,0.274,,
+718575580,*NCc1ccc(N*)c2ccccc12,,0.32862128,,,
+719137941,*CC#CC#CCOc1ccc(C(=O)OCCN(CCOC(=O)c2ccc(O*)cc2)c2ccc(N=Nc3ccc(N=Nc4cc(C)c([N+](=O)[O-])c(C)c4)cc3)cc2)cc1,,0.3672374,,,
+719507082,*c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(*)ccc3n4CCCCCC#N)cc2)cc1,,0.39438801,,,
+719751111,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2-c2cccc(C)c2)c(-c2cccc(C)c2)c1-c1ccccc1,,0.38052241,,,
+720344171,*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(*)cc3)cc2)cc1,,0.34491184,,,
+720567395,*O*CCCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC)c(OC(=O)c4ccc(-c5ccc(OC(=O)CCCCCCCCC(*)CO*)cc5)cc4)c3)cc2)cc1,,0.38046147,,,
+720781054,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cc4ccccc4cc3Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37047012,,,
+720835147,*Nc1ccc(C(c2ccc(NC(=O)c3cc(NC(=O)CCCCCN4C(=O)c5ccccc5C4=O)cc(C(*)=O)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.33696818,,,
+721329227,*Oc1ccc(Nc2ccc(C(=O)c3ccc(C(=O)c4ccc(Nc5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.38639477,,,
+721426023,*OC(COC(=O)c1ccc(-c2cc(CCCCCCCC)c(-c3ccc(C(*)=O)c(F)c3F)cc2CCCCCCCC)c(F)c1F)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.37990658,,,
+721715227,*Sc1ccc(P(=O)(c2ccccc2)c2ccc(Sc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1,,0.39670171,,,
+721925849,*Nc1cc2ccccc2c(C(N*)(c2ccccc2)c2ccccc2)c1N,,0.36049549,,,
+722303181,*C=Nc1ccc(N=Cc2ccc(Sc3ccc(*)o3)o2)cc1,95.64631957,,,,
+722323887,*CCN(*)C(=O)c1ccccc1,,0.35014456,,,
+722337542,*CC(CCCCCC)O*,,0.40228779,,,
+722624089,*CC(*)(C)C(=O)OCCCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.36422503,,,
+722656060,*/C=C/C(C)C(*)C,,,,0.801255092,16.53077558
+722657419,*CC(COc1ccc(C2CCCC(CC)(c3ccc(O*)cc3)C2)cc1)OC(C)=O,,0.35641137,,,
+722671179,*CCCCCCNC(=O)NCc1ccc(CNC(=O)N*)cc1,,0.32915874,,,
+722858579,*Nc1ccc(-c2ccc(N*)c(-c3ccc(-c4ccccc4)cc3)c2-c2ccc(-c3ccccc3)cc2)c(-c2ccc(-c3ccccc3)cc2)c1-c1ccc(-c2ccccc2)cc1,,0.36435294,,,
+722954203,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)O)cc5C4=O)cc3)cc1)C2=O,,0.366311,,,
+722996762,*C(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc4[nH]c(-c5ccc(-c6nc7cc(*)ccc7[nH]6)cc5)nc4c3)cc2)cc1,,0.37298287,,,
+723086841,*C(=O)c1ccc(C(=O)N(C)c2ccc(Cc3ccc(N(*)C)c(C)c3)cc2C)cc1,167.9642319,,,,
+723328836,*Oc1cc(Oc2ccc(NC(=O)c3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc(C(=O)Nc4ccc(*)cc4)c3)cc2)ccc1C12CC3CC(CC(C3)C1)C2,,0.36497894,,,
+723637794,*OS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)Oc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1,190.021745,,,,
+723638059,*NCC(C)(C)CN*,,0.32817407,,,
+723903020,*c1cccc(Cc2cccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.38669859,,,
+725291191,*Nc1ccc(C2(c3ccc(N*)c(C)c3)c3ccccc3-c3ccccc32)cc1C,,0.381850225,,,
+726324276,*CC(*)(C)C(=O)OCCS(=O)(=O)c1ccc(N=Nc2ccc(N(CC)CC)cc2)cc1,,0.37486297,,,
+726632865,*NCCNCCNCCN*,,0.32616627,,,
+726852979,*CCCNC(=O)CCCCCCCCC(=O)NCCCOCCOCCO*,,0.3490113,,,
+726901134,*Oc1ccc(C2(c3ccc(OC(*)=S)cc3)CCC(C)CC2)cc1,,0.36588296,,,
+727287922,*Oc1ccc(C(C)(C)c2ccc(OC3(F)C(*)(F)C(F)(F)C3(F)F)cc2)cc1,,0.3613817,,,
+727715310,*C(=O)c1cc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)cc4)cc2)C3=O)cc(-c2ccccc2)c1,,0.366746,,,
+727880096,*Nc1c(-c2cccc3ccccc23)ccc(-c2cccc3ccccc23)c1N*,,0.35630163,,,
+727931995,*c1sc(*)c(OCCCCCCCCCCCC)c1C,,,0.37875,0.949355697,16.11371346
+727964996,*Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4c(C(=O)c5ccc(*)cc5)c(-c5ccccc5)c(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)c4-c4ccccc4)cc3)cc2)cc1,,0.39702899,,,
+728252718,*Oc1ccc(C(C)(C)c2ccc(OC(=O)C3CCC(C(*)=O)CC3)cc2)cc1,,0.3540751,,,
+728371459,*C(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(N7C(=O)c8ccc(*)cc8C7=O)cc5)C6=O)cc4)cc3)cc2)cc1,,0.37364241,,,
+728455428,*C=CC1CC(*)C2C(=O)N(c3ccccc3Br)C(=O)C12,,0.37993611,,,
+729133742,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(*)=O)cc2)C(=O)OCC)cc1,,0.34116188,,,
+729574569,*CC(*)(C)C(=O)OC(C(F)(F)F)C(F)(F)F,,0.33395408,0.0755,1.277149707,12.6767809
+729669366,*Oc1ccc(C(c2ccc(OC(=O)c3ccc(Oc4ccc(C(*)=O)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35569196,,,
+730173328,*CC(*)(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36098706,,,
+730265166,*c1c(C)cc(C)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1C,,0.42202821,,,
+730340221,*Oc1ccc(Sc2ccc(OC(*)=O)cc2)cc1,,0.35903581,,,
+730399756,*CC(*)C(=O)OC(C)CCCCCC,,,0.245,0.877762738,11.2218737
+730567526,*c1ccc([Si](*)(C)c2ccc(CN(C)C)cc2)cc1,12.90627629,,,,
+730591910,*c1nnc(-c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(*)c6ccccc56)cc4)(C(F)(F)F)C(F)(F)F)cc3)c3ccccc23)o1,,0.39620569,,,
+731184698,*C(=O)OCC(C)(C)COC(=O)N1CCN(*)CC1,,0.33768571,,,
+731417662,*CCCCCCCCCCC1CC(CCC2CC(*)OC2=O)C(=O)O1,84.1573412,,,,
+731595810,*CC(c1ccccc1)C1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)C1*,,0.367645,,,
+732208665,*c1ccc2nc(-c3ccc4c(c3)C(=O)N(c3cc(C(*)(C(F)(F)F)C(F)(F)F)ccc3O)C4=O)oc2c1,,0.39736804,,,
+732280868,*Nc1cc(N*)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43,,0.35494944,,,
+732578696,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccc([Si](C)(C)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.37223437,,,
+732613388,*Nc1cccc2c(NC(=O)Nc3cc(NC(*)=O)cc(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)c3)cccc12,,0.33149666,,,
+732957114,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(C(=O)Nc4cccc(O*)c4)c3)cc2)cc1,,0.34135559,,,
+733015366,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nc(*)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1,,0.40568051,,,
+733146174,*c1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ncc(*)s5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1,,0.4074392,,,
+734539627,*c1cccc(P(C)(=O)c2cccc(N3C(=O)c4ccc(NC(=O)OCCOc5ccc(C(c6ccc(OCCOC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4C3=O)c2)c1,,0.34534828,,,
+734958593,*CC(*)c1ccccc1COC,,0.37399571,0.2066666666666666,,
+735019484,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c(-c3ccccc3)c2)cc1,,0.37852395,,,
+735028416,*CC(*)c1ccccc1C(=O)OCCCCC,,0.37483446,0.1923333333333333,,
+735082604,*C(=O)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(*)s4)cc3)cc2)s1,,0.37910073,,,
+735143665,*CCCCCCCCCCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,,0.35290149,,,
+735307697,*CCC(CC)CC(C)CNC(=O)c1ccc(C(=O)N*)cc1,,0.34406893,,,
+735659533,*CC(*)OCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1,,0.36822065,,,
+736152348,*Nc1ccc2ccccc2c1Cc1c(N*)ccc2ccccc12,,0.34468979,,,
+736727472,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(S(=O)(=O)c4ccc(O*)c(C)c4)cc3C)cc2)cc1,,0.35738719,,,
+736792055,*c1cccc(-c2cccc(C(F)(F)C(F)(F)C(*)(F)F)c2)c1,,0.36208143,,,
+736908890,*OC(=O)OCCOCCOCCOCCOC(=O)OC1COC2C(*)COC12,,0.32639137,,,
+737341727,*CC(*)n1c2ccc(Br)cc2c2cc(Br)ccc21,115.6170166,,,,
+737356509,*c1ccc(N2C(=O)c3c(c(-c4ccccc4)c(-c4ccc(-c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5-c5ccccc5)C(=O)N(*)C6=O)cc4)c(-c4ccccc4)c3-c3ccccc3)C2=O)cc1,,0.42520451,,,
+737362009,*COC1OC(*)C(O)C(O)C1O,,0.28194212,,,
+738034100,*Nc1cccc(NC(=O)CCCCC(=O)Nc2cccc(NC(=S)NC(=O)CCCCCCCCC(=O)NC(*)=S)c2)c1,,0.34083376,,,
+738593262,*Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(P(=O)(c4ccccc4)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.35850742,,,
+738625870,*Nc1cccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)c1N*,,0.36058761,,,
+738887961,*C1C(*)C2CC1C(COCc1ccccc1)C2COCc1ccccc1,,0.35376741,,,
+739506612,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3N3C(=O)c4ccc(*)cc4C3=O)cc1)C2=O,,0.36896466,,,
+739562740,*c1ccc(C2(c3ccc(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.4105138,,,
+739643942,*CCCS(=O)(=O)c1ccc(N=Nc2ccc(N(CCCC)CC(=O)O*)cc2)cc1,,0.37775099,,,
+739659224,*CCC(C)C(*)(C)C(=O)OC,,0.35037365,,,
+739937375,*CCN(CCOC(=O)c1ccc(C(=O)O*)cc1)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1,,0.35125653,,,
+740224734,*Nc1cc2c(cc1N*)[C@]1(C)c3c(ccc(N)c3N)[C@]3(C)c4cc(N)c(N)cc4[C@@]2(C)[C@@H]31,,0.39437895,,,
+741750852,*C=CC1CC(*)C(C(=O)OCCCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1C(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.37717295,,,
+742319182,*Nc1ccc(-c2ccc(-c3ccc(N*)c(-c4ccc(C(C)C)cc4)c3-c3ccc(C(C)C)cc3)cc2)cc1,,0.3784415,,,
+742571113,*c1cc(*)c(O)c(C=Nc2ccc(F)cc2)c1,-121.5212841,,,,
+742772976,*c1ccc(-c2cc(CCCCCCCC)c(-c3ccc(-c4ccc(-c5sc(-c6ccc([Si](*)(CCCC)CCCC)s6)cc5CCCCCCCC)s4)s3)s2)s1,,0.42518997,,,
+743402006,*CCCCCCCCNC(=O)CC(=O)N*,,0.33840091,,,
+744301389,*OC(COC(=O)C1=C(C(=O)OCC(COC(=O)C2=C(c3ccccc3)C3C=CC2C3)OC(=O)c2ccc(C(*)=O)cc2)C2C=CC1C2)COC(=O)C1=C(c2ccccc2)C2C=CC1C2,,0.34889157,,,
+744751157,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccccc1,,0.34387073,,,
+745130197,*OC(=O)CCCCCC(*)=O,,,0.237,1.084856799,17.5417392
+745501666,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1,,0.35115071,,,
+745635632,*Nc1ccc2ccccc2c1-c1c(N*)ccc2ccccc12,,0.35275725,,,
+745676028,*Oc1ccc(Oc2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(*)cc4)c3)cc2)cc1C(C)(C)C,,0.36499914,,,
+745925185,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3ccc4c(c3)c3cc(*)ccc3n4-c3ccc(C)cc3)ccc1-2,,0.39958205,,,
+746006701,*CC(C#N)C(CCC(C)(O)C=C)C(*)(C)C,,0.3589437,,,
+746033942,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8cccc(N9C(=O)c%10ccc(*)cc%10C9=O)c8)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.36211978,,,
+746099992,*Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(-c6ccc(*)c(C(F)(F)F)c6)cc5)cc4C(F)(F)F)cc3)c3ccccc3-c3ccccc32)cc1,,0.40015499,,,
+746373374,*CCCCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.34895438,,,
+746810021,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCCCCCCCCCCCC)cc1,,0.35629781,,,
+746817611,*CCOC(=O)Nc1ccc(NC(=O)O*)cc1,134.2908917,,,,
+746903081,*C/C=C/COC(=O)NCCCCCCNC(=O)O*,,0.33443961,,,
+747034836,*c1cc(N=Cc2ccc(F)cc2)c(O)c(*)c1C,,0.39302909,,,
+747510254,*Nc1cccc2c1ccc1c3cccc(N*)c3ccc21,,0.33361002,,,
+747579493,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCC(*)C,,0.43809694,,,
+748222139,*CCCCCCNC(=O)CCC1(CCC(=O)N*)c2ccccc2-c2ccccc21,,0.34859909,,,
+748600767,*/C=C/C1CCC(*)C1,,,0.2603333333333333,,
+748602077,*O[Si](*)(C)CCCCCn1c2ccccc2c2ccccc21,,0.37747009,,,
+748679100,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2c(C)cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c2C)C3=O)cc1,,0.37301692,,,
+749003022,*Sc1ccc(-c2ccc(SC(=O)CCCCC(*)=O)cc2)cc1,13.2621556,,,,
+749288648,*c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(*)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)cc1,,0.41180869,,,
+749314033,*OC(=O)C(C)NC(=O)CCCCCCCCC(=O)NC(C)C(=O)OC1COC2C(*)COC12,,0.33769731,,,
+749316999,*Nc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1N*,,0.36834025,,,
+749375446,*Nc1ccc(C(c2ccc(NC(=O)c3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc(C(*)=O)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35504782,,,
+749548087,*C(=O)Nc1cccc(P(=O)(c2ccccc2)c2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(P(=O)(c5ccccc5)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)c3)C4=O)c2)c1,,0.36969182,,,
+749662533,*Nc1ccc(/C(C)=C\C(C)(C)c2ccc(N*)cc2)cc1,,0.35473258,,,
+749826349,*c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)[nH]c4*)cc3)cc2)cc1,,0.35066768,0.269,1.201196246,19.2258376
+750049504,*c1ccc(-c2sc(-c3ccc(-c4cc(SCCCC)c(*)s4)cc3)cc2SCCCC)cc1,,0.51197804,,,
+750380744,*O*CCCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(-c5ccc(OC(=O)CCCCCCCCC(*)CO*)cc5)cc4)c3)cc2)cc1,,0.38046147,,,
+750442059,*Nc1ccc(Cc2ccc(NC(=O)c3cc(NC(=O)CCCCCCCCCCN4C(=O)c5ccccc5C4=O)cc(C(*)=O)c3)cc2)cc1,,0.34759943,,,
+750805819,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCC(C)C)cc1,,0.35420645,,,
+750893336,*CCCCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.35432247,,,
+751017152,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4C)cc3)cc2)cc1C,,0.36216317,,,
+751223406,*Oc1ccc(N=C(c2ccccc2)c2ccc(Oc3ccc(-c4ccc(Oc5ccc(C(=Nc6ccc(*)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,,0.38227472,,,
+751286665,*CC(Cc1ccc(-c2ccccc2)cc1)C[Si](*)(C)C,,0.37356757,,,
+751321800,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-],,0.38190674,,,
+751554332,*Nc1cccc2cc3c(N*)cccc3cc12,,0.34156849,,,
+751973346,*N=Nc1ccc([Te]c2ccc(*)cc2)cc1,,0.35960485,,,
+752114706,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(N3C(=O)CC(N4C(=O)c5ccc(*)cc5C4=O)C3=O)cc2)cc1,,0.35376689,,,
+752379788,*C1=NC2=CC(*)C=CC2=C1,103.156476,,,,
+753005996,*N=P(*)(NCC)NCC,,0.39858721,,,
+753199362,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c2cccc(C(=O)O*)c2)c1,,0.33541643,,,
+753570442,*CC(*)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,,0.38284106,,,
+754272312,*CC(c1ccccc1)C1C(=O)N(CCCCCCCC)C(=O)C1*,105.6965321,,,,
+754288361,*Nc1ccc(-c2ccc(N*)c(=C\c3ccccc3)/c2=C\c2ccccc2)cc1,,0.36805136,,,
+754541700,*O[Si](*)(C)CCCCCOc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1,-64.12566312,,,,
+754551833,*CC1CCC(COC(=O)O*)CC1,,0.34179915,,,
+754749806,*CCCOC(=O)CCCC(=O)O*,,0.32464851,,,
+755483998,*CC(*)C(=O)OCC(C)(C)C,,0.38252829,0.2115,0.901190148,13.30665929
+756378273,*c1ccc(-c2ccc(-c3cc(CCCCCCCC)c(-c4ccc(-c5sc(*)cc5CCCCCCCC)cc4)s3)cc2)cc1,,0.4395737,,,
+756437706,*Oc1ccc(Oc2ccc(C=NCCCCCCN=Cc3ccc(*)cc3)cc2)cc1,,0.37498701,,,
+756521912,*CCCC(C)(C)CNC(=O)CCCC(=O)N*,,0.33531412,,,
+756721321,*C(=O)OCCOC(=O)N1CCN(*)CC1,,0.31625475,,,
+756782287,*Nc1cc2c(cc1N*)-c1cc(N)c(N)cc1C2,,0.35872806,,,
+757100562,*Oc1ccc(-c2ccc(Oc3ccc(*)cc3)c3ccccc23)c2ccccc12,,0.39245647,,,
+757588646,*N=P(*)(OCC)OCC,,0.38134489,,,
+757729082,*Oc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccc(OC(=O)c5cccc(C(*)=O)c5)cc4)cc3)cc2)c2ccccc2)cc1,,0.37719758,,,
+758693518,*C=Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc(-c3nnc(*)s3)cc2)cc1,,0.36259247,,,
+758756190,*Oc1ccc(Oc2cccc(*)n2)c(C)c1,,0.35844504,,,
+759011226,*Oc1ccc(C(=O)c2ccccc2)c(-c2cc(Oc3ccc(-c4ccc(*)cc4)cc3)ccc2C(=O)c2ccccc2)c1,,0.38076076,,,
+759255806,*CC(*)(C)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1,,0.34955949,,,
+759347222,*Nc1ccc2c(c1)[C@@H]1c3ccc(N*)cc3[C@@H]3c4ccc(N)cc4[C@H]2C31C,,0.3861986,,,
+759929518,*CCCCCCNC(=O)CCC(C)(C)c1ccc(C(C)(C)CCC(=O)N*)cc1,,0.34678668,,,
+760236787,*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C5(c6ccc(*)cc6)C6CC7CC(C6)CC5C7)cc4)cc3)cc2)cc1,,0.36751197,,,
+760704855,*CC(CCC)C(CCC)COC(=O)c1ccc(C(=O)O*)cc1,,0.35986074,,,
+760704971,*c1ccc([Si](*)(C)C)s1,,0.42057371,,,
+760753809,*CCc1cc(C)c(*)cc1C,,0.39678497,,,
+761202167,*c1ccc(-c2cc(CCCCCCCC)c(-c3ccc(-c4sc(*)cc4CCCCCCCC)cc3)s2)cn1,,0.43120083,,,
+761297738,*Nc1ccc(CC2=CC=C[C@@](C)(c3ccc(Cc4ccc(N*)cc4)cc3)C=C2)cc1,,0.34837056,,,
+761520590,*Nc1cccc2c1-c1c(N*)cccc1C2(c1ccccc1N)c1ccccc1N,,0.36322501,,,
+761786133,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(-c5ccc(S(=O)(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.3714925,,,
+761886758,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4cc(OCC(C)CC)c(OCC(C)CC)c(OCC(C)CC)c4)cc3)cc2)cc1,,0.37208958,,,
+762219171,*c1cccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1,,0.37303121,,,
+762368408,*C(=O)Nc1cccc(N2C(=O)CC(N3C(=O)c4ccc(*)cc4C3=O)C2=O)c1,,0.34139674,,,
+762944097,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C4CCC(C(C)(C)c5cc(C)c(*)c(C)c5)CC4C)cc3C)cc2)cc1,250.477212,,,,
+763114241,*C(=O)Nc1ccc(Cc2ccc(N3C(=O)CC(N4C(=O)c5ccc(*)cc5C4=O)C3=O)cc2)cc1,,0.35665576,,,
+763411577,*Nc1cc2c(cc1N*)[C@H]1CC[C@@H]2CC1,,0.35470749,,,
+763411836,*c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc(-c5ccc(-c6nc(-c7ccc([N+](=O)[O-])cc7)c(-c7ccc([N+](=O)[O-])cc7)[nH]6)cc5)[nH]c4*)cc3)cc2)cc1,,0.37265586,,,
+763726764,*CC(C)(C)C1C(=O)N(C)C(=O)C1*,,0.33146348,,,
+763991123,*Nc1ccc(C2(c3ccc(N*)cc3)C=CC(c3ccccc3)=CC2)cc1,,0.35269546,,,
+764245724,*c1ccc(C(=O)OCCCCCCCCOc2ccc(C=C3CCCC(=Cc4ccc(OCCCCCCCCOC(=O)c5ccc(-c6nnc(*)o6)cc5)cc4)C3=O)cc2)cc1,,0.37367873,,,
+764326592,*C=CCC(C*)(C(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)OC12CC3CC(CC(C3)C1)C2,,0.379025,,,
+764363021,*Oc1ccc(P(=O)(c2ccccc2)c2ccc(Oc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1,,0.40024416,,,
+764478101,*C=Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2cccc(-c3nnc(*)s3)c2)cc1,,0.35845216,,,
+764504672,*CCCCCCCCCCCCCCNC(=O)CCc1ccc(CCC(=O)N*)cc1,,0.36896475,,,
+764566036,*Nc1ccc(Oc2ccc(Oc3ccc(N*)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1,,0.34410013,,,
+764633726,*CCOCCOCCOCCOC(=O)NCCCCCCNC(=O)O*,,0.3380047,,,
+765055507,*CCCCCCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.37834566,,,
+765135916,*Nc1ccc(C(CC)=C(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36758067,,,
+765310183,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(*)cc4C3=O)c(O)cc1O)C2=O,,0.3634881,,,
+765454454,*c1ncnc(N(CCCCN(*)c2ccccc2)c2ccccc2)n1,,0.37819273,,,
+765521185,*CCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,,0.38269266,0.37175,0.887262341,24.48690078
+765731942,*CCNC(=O)CCP(C)(=O)CCC(=O)N*,143.8466204,,,,
+765785607,*c1ccc(OC(=O)c2cc(Cl)cc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)c2)cc1,,0.36120932,,,
+765893959,*Nc1cccc(C2(c3cccc(N*)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1,,0.37704106,,,
+765976138,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6cc(*)[nH]n6)cc5)cc4)c3)cc2)cc1,,0.37462428,,,
+766108648,*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(Oc4ccc(C(C)(C)c5cccc(C(C)(C)c6ccc(*)cc6)c5)cc4)cc3)c2)cc1,,0.35956065,,,
+766443404,*C(F)(F)C1(*)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1,,0.33383626,,,
+766636095,*CCCCCCOC(=O)C(CCCCCP(=O)(OCC)OCC)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.36679836,,,
+766749407,*CC(*)(C)C(=O)OCCCc1ccc(N=Nc2ccc(OC(F)(F)F)cc2)cc1,,0.35850149,,,
+767346074,*CCCCCCCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.36151008,,,
+768384141,*CCCP(CCCCCCCC)CCCNC(=O)CCCCC(=O)N*,,0.3656047,,,
+768467775,*Oc1ccc(Oc2ccc(Oc3cccc(*)n3)cc2)cc1,-19.11943844,,,,
+769383218,*CCOP(=O)(N=Nc1ccc(Oc2ccc(N=NP(=O)(O*)OCC)cc2)cc1)OCC,,0.3620127,,,
+769839159,*Oc1ccc(C(=O)OCCOCCOCCOCCOC(=O)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.3367055,,,
+770392100,*CC(*)(C)C(=O)OC1(C)CCOC(=O)C1,,0.31901326,,,
+770474874,*CCCCCNC(=O)CCCCCCOCCCCCCC(=O)NCCCCCO*,,,0.285,0.955888415,19.41025454
+770593247,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C#Cc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.39815997,,,
+771410628,*C(=O)OCC(COc1ccc(N=Nc2ccc(C#N)cc2)cc1)OC(=O)c1ncccc1*,,0.3600163,,,
+771609530,*CC(*)c1ccc(CCCCCC)cc1,,0.40375659,0.241,,
+771639833,*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(-c3ccc(O*)cc3)cc2)c1,,0.34065553,,,
+771772442,*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3c(C)cc(Cc4cc(C)c(NC(=O)c5ccc(*)cc5)c(C(C)C)c4)cc3C(C)C)cc2)cc1C(C)(C)C,,0.40228306,,,
+772440851,*CC(*)c1ccc(C(=O)Cc2ccccc2)cc1,,0.36666659,,,
+772566639,*c1ccc2c(c1)C(=O)N(c1ccc(OCCCCCCCCCCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.35617191,,,
+772591088,*Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5cc6cc(*)ccc6oc5=O)cc4)cc3)cc2c1,,0.33664324,,,
+773428035,*O[Si](*)(C)CCCOc1ccc(C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cc1,,0.373350915,,,
+773706830,*Nc1cccc2c(N*)c3ccccc3cc12,,0.34219547,,,
+774116157,*c1ccc(-c2ccc3c(c2)C(CCCCCCBr)(CCCCCCBr)c2cc(*)ccc2-3)cc1,,0.41425239,0.236,1.064142833,29.39678289
+774594190,*Nc1ccc(-c2cc(N*)ccc2-c2ccc(N)cc2)cc1,,0.34901501,,,
+775478514,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C(=O)c6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6)cc5)cc4)cc3)cc1)C2=O,,0.37412723,,,
+776515253,*C(=O)N(*)CCCCCC,14.34014558,,,,
+777120719,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5ncc(*)o5)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,,0.39644075,,,
+777245562,*Nc1ccc2cc3cccc(N*)c3cc2c1,,0.33634853,,,
+777333329,*c1ccc2c(c1)C(=O)N(c1cc(Oc3c(C)cc(-c4cc(C)c(Oc5cc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc(C(F)(F)F)c5)c(C)c4)cc3C)cc(C(F)(F)F)c1)C2=O,,0.39069947,,,
+777956854,*Nc1ccccc1-c1ccc2c(c1-c1ccccc1N*)Cc1ccccc1-2,,0.359745555,,,
+778024152,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(OCCCOc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,163.1829015,,,,
+778266959,*CC(*)c1ccc(C(C)(O)CCCC)cc1,,0.39130508,,,
+778508668,*CCCCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.33853108,,,
+779018837,*C=C(*)c1cc(CO)c(OCc2ccc(CNC(C)COCCCCCCCC)cc2)c(CO)c1,65.78481038,,,,
+779245999,*c1ccc(C(*)C)cc1,,0.38776723,,,
+779535649,*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCC(=O)N*)cc1,,,0.3515,0.963570323,20.56020443
+779877733,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(*)cc5C4=O)c(OCCCCCCOc4ccc(/C=C/c5ccc(F)cc5)cc4)c3)cc1OCCCCCCOc1ccc(/C=C/c3ccc(F)cc3)cc1)C2=O,,0.36477665,,,
+780149366,*Nc1ccc(-c2ccccc2)c(-c2ccccc2)c1N*,,0.3546781,,,
+780388384,*c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nnc(-c4ccc(-c5nnc(*)o5)cc4)o3)cc2)cc1,,0.48674163,,,
+780433305,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4cccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(Oc8ccc(-c9ccc(*)cc9)cc8)cc7)cc6)cc5)c4)cc3)cc2)cc1,,0.36823106,,,
+780752652,*Nc1cc2c(cc1N*)[C@@]1(C)c3cc(N)c(N)cc3[C@@]3(C)c4cc(N)c(N)cc4[C@]2(C)[C@]31C,,0.40071937,,,
+781281190,*Oc1ccc(NC(=O)c2cc(NC(=O)c3ccc(OC(C)=O)cc3)cc(C(=O)Nc3ccc(Oc4ccc(-c5ccc(*)cc5)cc4)cc3)c2)cc1,,0.34777733,,,
+781306630,*c1cccc(N2C(=O)c3ccc(P(=O)(c4ccccc4)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.3954689,,,
+781325985,*Nc1ccc(Br)cc1-c1ccc(NC(=O)c2ccc(C(*)=O)cc2)cc1,,0.36239471,,,
+781403971,*CC(O)CN(*)c1cc(C)cc(C)c1,,0.38340984,,,
+781605401,*CCCCCCCCCCC(=O)NCCCCCC(=O)N*,,0.35926129,0.296,0.953522466,19.36818383
+782092877,*Nc1nc(N*)n(N)c(=S)n1,,0.31626297,,,
+782678603,*CCCCCCCCCCCCCCCCCCCCOC(=O)CC(=O)O*,,0.38129764,0.318,0.918493366,19.41376744
+783040210,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37602514,,,
+783055378,*c1cccc(C(=O)Nc2cccc(S(=O)(=O)c3cccc(NC(=O)c4cccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)c4)c3)c2)c1,,0.35166575,,,
+783150586,*/C=C(\C#N)C(=O)Nc1cccc(NC(=O)/C(C#N)=C/c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(/C=C/c6ccc(*)s6)cc5)cc4)cc3)s2)c1,243.9892983,,,,
+783176072,*C(=O)OCCCSCCCCCCSCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.35879978,,,
+783233627,*O[Sn](CCCC)(CCCC)OC(=O)CCCCC(*)=O,,0.36080704,,,
+783252697,*CCCCCCCCCCCCOC(=O)NCc1ccc(CNC(=O)O*)cc1,,0.35707291,,,
+783421229,*c1cccc(P(=O)(c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1,,0.38638827,,,
+783528107,*c1cc(CCCCCCOC(=O)COC)c(*)s1,,0.36444159,,,
+783741919,*Nc1cc2c(cc1N*)C1(c3cc(N)c(N)cc3-c3cc(N)c(N)cc31)c1cc(N)c(N)cc1-2,,0.37495313,,,
+783812275,*C1CCC(*)C1,,0.37999271,,0.903468969,19.86080991
+784293016,*CC(CC(*)(C#N)C#N)c1ccc(CCl)cc1,,0.3903293,,,
+784363756,*c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(-c6cc(*)n(-c7ccccc7)n6)cc5)cc4)cc3)cc2)cc1,,0.38790383,,,
+784935951,*CCNC(=O)c1ccc2cc(O*)ccc2c1,,0.33091429,,,
+785079844,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.35773858,,,
+785209471,*OC(=O)C(C)NC(=O)CCCCCCC(=O)NC(C)C(=O)OC1COC2C(*)COC12,,0.32784472,,,
+785463469,*CCCCCCCCc1nc2cc(-c3ccc4[nH]c(*)nc4c3)ccc2[nH]1,,0.37040662,,,
+785739315,*CC(*)(C)C(=O)OCC(C)(C)C1OCC(C)(C)CO1,,0.36823735,0.1619999999999999,0.904274504,10.65097658
+786535870,*Nc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Nc4ccc(C(=O)c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.3924613,,,
+786832504,*Oc1ccc(Sc2ccc(Oc3ccc4c(=O)n5c6cc(Oc7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.37773112,,,
+787172285,*Nc1cc2c(cc1N*)[C@H]1c3ccccc3[C@@H]2c2ccccc21,,0.37667413,,,
+787518160,*CCC(=O)OCCCC=CCCCOC(=O)CCC1NC(=O)C(*)NC1=O,25.37727633,,,,
+787533936,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C)cc(Cc4cc(C)c(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C)c4)cc3C)cc1)C2=O,,0.39072114,,,
+788080561,*Oc1ccc(C(C)(C)c2ccc(OC(=O)Nc3cccc(P(=O)(c4ccccc4)c4cccc(NC(*)=O)c4)c3)cc2)cc1,,0.36021287,,,
+788688131,*c1cc(OCCCCCCCCCCCCCCCC)cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37287134,,,
+789071222,*CC(*)c1ccccc1C(=O)Nc1ccccc1,,0.35753244,0.1636666666666666,,
+789164013,*CC(*)(C)C(=O)OCCCCCCn1c2ccccc2c2cc(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21,,0.3638222,,,
+789200912,*CC(*)c1c(Cl)cccc1Cl,,0.39048668,,,
+789216614,*NCCNCCCNCCN*,,0.3304575349999999,,,
+789218686,*CC(*)(C)C(=O)NC(C)c1ccccc1,,0.3551036,,,
+789469220,*CC(*)(C)C(=O)OCc1ccc(C=CC(=O)C2c3ccccc3C(=O)c3ccccc32)cc1,,0.34725441,,,
+790220540,*Oc1ccc(S(=O)(=O)c2cccc3c(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(*)cc6)cc5)cc4)cccc23)cc1,,0.36562978,,,
+790422297,*CC(*)(C)C(=O)OCCCCCCOc1cccc(C(=O)Oc2ccc(C#N)cc2)c1,,0.34903264,,,
+790707240,*Nc1ccc(CCc2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,245.2414672,,,,
+790828475,*Nc1ccc(C(c2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.3504904,,,
+791518570,*c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(=O)c5ccc(NC(=O)Nc6cccc7c(NC(=O)Nc8ccc9c(c8)C(=O)N(*)C9=O)cccc67)cc5C4=O)cc3)n2)cc1,,0.35993207,,,
+791544306,*c1ccc(-c2cc(OCCCCCCCCCC)c(*)cc2OCCCCCCCCCC)cc1,61.07976291,,,,
+791643770,*c1ccc(NC(=O)c2ccc(OCCOCCOCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)cc1,,0.34555816,,,
+791644318,*C(=O)Oc1ccc(OCCCCCCCCCCCCOc2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.35374697,,,
+791901717,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)CCCCC(=O)O*,,0.31905896,,,
+792165329,*CC(*)c1ccccc1C(=O)OCCC(C)C,,0.37558772,0.1929999999999999,,
+792850218,*CCCCS(*)(=O)=O,-14.41108992,,,,
+793023871,*CC(*)c1cccs1,,0.40399034,0.1995,1.115067014,15.89865681
+793067604,*OC(COC(=O)c1ccc(-c2ccc(C(*)=O)cc2)cc1)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35920375,,,
+793720253,*Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=S)NC(=O)CCCCCCCCC(=O)NC(*)=S)c3)c2)c1,,0.34654,,,
+793830629,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.35263439,,,
+794214898,*CCCCCCNC(=O)CCc1ccc(C(C)CC(=O)N*)cc1,,0.35062376,,,
+794405907,*Oc1ccc(-c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1-c1ccccc1,,0.35661176,,,
+794427257,*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)F,,0.34535374,,,
+794510468,*Nc1ccc(C(C)(c2ccccc2)c2ccc(N*)c(C)c2C)c(C)c1C,,0.36512516,,,
+794641374,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.35417449,,,
+794995355,*C(=O)Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(P(=O)(c5ccccc5)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)c3)C4=O)cc2)cc1,,0.36068208,,,
+795727494,*c1cc(N=Nc2ccc(OC)cc2)cc(*)c1O,,0.37316682,,,
+795837749,*C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(-c5cc(C)c(N6C(=O)c7ccc(*)cc7C6=O)c(C)c5)cc3C)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37779724,,,
+796117252,*Nc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(NC(=O)c5ccc([Si](C)(C)c6ccc(C(*)=O)cc6)cc5)cc4)cc3)cc2)cc1,,0.35830263,,,
+796744400,*Oc1cccc(OC(=O)c2cc(OCCCCC)cc(C(*)=O)c2)c1,,0.35370683,,,
+796832411,*c1ccc(Oc2ccc(N3C(=O)c4c(c(-c5ccccc5)c(-c5ccc(-c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6-c6ccccc6)C(=O)N(*)C7=O)cc5)c(-c5ccccc5)c4-c4ccccc4)C3=O)cc2)cc1,,0.4068871,,,
+796983808,*C1C2CC(C(=O)OCCc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)C(C2)C1*,,0.37604528,,,
+797241563,*CCCCOC(=O)CCCC(=O)O*,,0.33275554,,,
+797481672,*c1c(C)cc(C)c(N2C(=O)c3cccc(Oc4c(C)cc(Cc5cc(C)c(Oc6cccc7c6C(=O)N(*)C7=O)c(C)c5)cc4C)c3C2=O)c1C,,0.39441657,,,
+798215988,*c1ccc(C(=O)Nc2cccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(NC(=O)c6ccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(*)C%10=O)cc8C7=O)cc6)c5)cc4)cc3)c2)cc1,,0.35874825,,,
+798268482,*c1cc(C(c2ccc(OCCN(CC)c3ccc(C=CC4=CC(=C(C#N)C#N)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(CC)c1ccc(C=CC2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,,0.38611474,,,
+798438482,*OC1CCC(OC(=O)c2ccc(C(*)=O)cc2)CC1,,0.35770119,,,
+798454930,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.34699309,,,
+798498386,*CC(CC)(CC)COC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.35922882,,,
+798869032,*Nc1ccc([C@]23C[C@H]4C[C@H](C[C@](c5ccc(N*)cc5)(C4)C2)C3)cc1,,0.34941941,,,
+799217349,*C(F)(F)C(F)(F)C(F)(F)C(*)(F)C(F)(F)F,-86.88823628,,,,
+799283066,*CC=CCOC(=O)C(Cc1ccccc1)NC(=O)CCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)O*,,0.35266121,,,
+799636548,*CCCCCCCCCCNC(=O)CCP(C)(=O)CCC(=O)N*,,0.35467591,,,
+799690401,*Nc1cc2c(cc1C)-c1cc(C)c(N*)cc1S2(=O)=O,,0.358207955,,,
+800089698,*CCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33581592,,,
+800130991,*Nc1ccc(C(C)(c2ccc(C)cc2)c2ccc(N*)cc2)cc1,,0.36023204,,,
+800215811,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OC)cc1,,0.33150539,,,
+800676373,*CCN(CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C)c(C)c1,,0.35323912,,,
+800838483,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(O*)c3)cc2)cc1,,0.34411231,,,
+800998431,*CC(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2Sc2c(O*)ccc3ccccc23)cc1,,0.33977149,,,
+801063364,*CCOc1ccc(C=C2CCC(=Cc3ccc(OCCOP(=O)(O*)OCC)c(OC)c3)C2=O)cc1OC,,0.34641138,,,
+801330021,*CC(*)(C)C(=O)Oc1ccccc1,,,0.184,1.049795923,13.34805903
+801675840,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)C(=O)c1cc(N4C(=O)c5ccc(*)cc5C4=O)ccc1-3)C2=O,,0.3830772,,,
+801689933,*CCCCCCOC(=O)CCCCCCCCC(=O)O*,,0.36054003,,,
+801852409,*Nc1ccc(C(c2ccc(N)c(CC)c2CC)c2ccc(N*)c(CC)c2CC)c(CC)c1CC,,0.39358562,,,
+802299717,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4cccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(Oc8ccc(C(C)(C)c9ccc(*)cc9)cc8)cc7)cc6)cc5)c4)cc3)cc2)cc1,,0.36924917,,,
+802360891,*CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCO*,,,0.3575,0.930685649,20.81346955
+802506538,*CC(*)(C)C(=O)OCCOCC[N+](CC)(CC)CCCCS(=O)(=O)O,,0.420485,,,
+802993859,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CCCCCCCCCCCCCC,,0.37769725,,,
+803106454,*CC(*)(C)C(=O)OCC1CCCO1,,0.34666826,0.172,1.030703138,11.83904224
+803775586,*CC(*)C1CCC(C)CC1,,0.39863974,0.1996666666666666,,
+804037111,*CC(*)C(=O)Oc1ccc(Cl)cc1Cl,,0.36475946,0.119,1.323601324,15.04038649
+804149832,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5ccc(*)s5)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,,0.40617944,,,
+804322446,*c1cc(CC(=O)OCCCCCCOc2ccc(N=Nc3ccc(C#N)cc3)cc2)c(*)s1,,0.37372874,,,
+805227128,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.35687756,,,
+806311584,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(C(=O)OCCOC(=O)C=Cc2ccc(N(C)C)cc2)c1,,0.34026095,,,
+806397458,*CCCCCCCCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCCCCCCCOP(=O)(O*)OCC)c(OC)c3)C2=O)cc1OC,,0.3656755,,,
+806790733,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3ccccc3N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37007109,,,
+806978622,*CC(*)O[N+](=O)[O-],,0.77406593,0.1585,1.305301671,17.27231362
+807387712,*Oc1ccc(C(=O)c2ccccc2)c(-c2cc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)ccc2C(=O)c2ccccc2)c1,,0.38183506,,,
+807551839,*/C=C/c1ccc(*)c(-c2c(OCC(CC)CCCC)ccc3cc(-c4ccccc4)ccc23)c1,,,0.212,0.984517634,14.07025714
+807875474,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(Cc4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.36538681,,,
+808029389,*c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O,,0.41239714,,,
+808269149,*C(=O)Oc1ccc([Si](C)(c2ccccc2)c2ccc(OC(=O)c3ccc(*)s3)cc2)cc1,,0.38407419,,,
+808476294,*c1ccc(Oc2ccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(-c8nnc(*)o8)cc7)cc5)C6=O)cc4C3=O)cc2)cc1,,0.38811487,,,
+808488658,*Nc1cc(C)c2cc3c(C)c(C)c(N*)c(C)c3cc2c1,,0.3653562,,,
+808582678,*NCC[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccc(N*)cc1)(C3)C2,,0.33910824,,,
+808879247,*c1cccc(N2C(=O)c3cccc(Oc4ccc(C(C)(C)c5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc4)c3C2=O)c1,,0.3702511,,,
+810134797,*c1cc(OCCCCCCCCCCCC)cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.3689144,,,
+810221803,*CCCC(CCNC(=O)c1ccc(C(=O)N*)cc1)C(C)C,,0.34137267,,,
+810464372,*Oc1ccc(-c2ccc(Oc3ccc(Oc4cccc(Oc5ccc(*)cc5)c4C)cc3)c3ccccc23)c2ccccc12,,0.38357509,,,
+810570947,*C(=O)c1ccc(C(C)(CC)c2ccc(C(=O)N3CCN(*)CC3)cc2)cc1,,0.37489095,,,
+810716859,*c1ccc2c(c1)C(=O)N(c1cc(OCCCCCCCCCCCC)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,0.37302009,,,
+810767754,*CCCCCNC(=O)C(OC)C(OC)C(=O)N*,,0.3352167,,,
+811102498,*CC(OC)C1C(=O)N(c2ccc(N(C)C)cc2)C(=O)C1*,,0.36226319,,,
+811196388,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3ccc(CC)cc32)cc1,,0.37736059,,,
+811299446,*NC1CCCC(N*)C1,,0.33385202,,,
+812075542,*Nc1ccc(-c2ccc(-c3ccc(N)cc3)c(-c3ccc(N*)cc3)c2)cc1,,0.35568128,,,
+812088904,*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1-c1ccc(Cl)c(C(F)(F)F)c1,,0.38008742,,,
+812162763,*CCCCCCOC(=O)C(CCCCCCCCCCP(=O)(OCC)OCC)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.36595222,,,
+812270433,*Oc1ccc(-c2ccc(NC(=O)c3cc(C(=O)Nc4ccc(-c5ccc(Oc6ccc(C(C)(C)c7ccc(*)cc7)cc6)c(C(F)(F)F)c5)cc4)cc(C(C)(C)C)c3)cc2)cc1C(F)(F)F,,0.37653866,,,
+812457901,*CC(*)c1ccc(C(C)=NO)cc1,,0.35867112,,,
+812618019,*C(*)C,122.3867673,,0.2033333333333333,,
+812811097,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2-c2ccccc2N)cc1,,0.36447678,,,
+813149599,*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.38193072,,,
+813214787,*Nc1ccc2c(c1N*)-c1ccccc1-c1ccccc1-c1ccccc1-2,,0.36739742,,,
+814144401,*C/C=C\C[Si](*)(C)CCCOc1ccc2ccccc2c1,,0.36773968,,,
+814145084,*Nc1ccc(-c2cc(-c3ccc(N*)cc3)cc(C(C)(C)C)c2)cc1,,0.36221606,,,
+814315691,*CC(*)OC(=O)CCCC(=O)c1ccccc1,,0.3393767,,,
+814898102,*CCCCCCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.37926968,,,
+814967191,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4cccc(Oc5c(C)cc(-c6cc(C)c(Oc7cccc8c7C(=O)N(*)C8=O)c(C)c6)cc5C)c4C3=O)c(C)c2)cc1C,,0.3975525,,,
+815036763,*CCCCOC(=O)CCC(=O)O*,,0.3291051,,,
+815051873,*c1ccc(C(=O)OCCCCCCOC(=O)c2ccc(-c3nnc(*)s3)cc2)cc1,,0.36031607,,,
+815588093,*CCCCCCNC(=O)c1ccc(C(=O)N*)cc1,,0.3376709,,,
+815998527,*CCCCCCOP(=O)(N=Nc1ccc(C(=O)c2ccc(N=NP(=O)(O*)OC)cc2)cc1)OC,,0.3606996,,,
+816208987,*CC(O)CN(*)c1cc(C)c(N=Nc2ccc(Cl)cc2)c(C)c1,,0.38104863,,,
+816499147,*CCCCCCCCc1nc2ccc(-c3ccc4nc(*)sc4c3)cc2s1,,0.37827781,,,
+816523902,*CC(*)OC(=O)c1ccncc1,,0.34235599,,,
+816594704,*CC(*)C(=O)OCC(F)(F)C(F)(F)F,,0.33021141,,,
+816699374,*CC(*)c1ccc(S(=O)(=O)OCCC)cc1,,0.37741586,,,
+816729790,*Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36920269,,,
+816767607,*CCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,,0.4165,0.92091158,20.46088256
+816771422,*CCCCCCCCC(=O)NCCCCCOCCCCCNC(=O)CCCCO*,,,0.287,0.959755769,19.44997486
+817102906,*CC(O)COC(=O)CCCCCCCCC(=O)OCC(O)COc1ccc(C(=O)Oc2ccc(O*)cc2)cc1,,0.33714528,,,
+817179455,*CCN(*)C(=O)CCCCCCCC,-49.55374382,,,,
+817222485,*CCC=C(*)CCCCCCCCCC,,0.40745292,,,
+817646682,*CC(*)(C)C(=O)Oc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1,,0.34505383,,,
+817764960,*Oc1ccc(Oc2ccc(Oc3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,136.3718208,,,,
+818720899,*OCCOC(=O)c1cccc(C(=O)OCCOc2nc(-c3ccc(OCCCC)cc3)nc(*)c2-c2ccc(OC)cc2)c1,,0.35974624,,,
+818853032,*CC(C)(CC)COC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.35540471,,,
+819286039,*c1ccc2nc3c4cccc5c6nc7ccc(*)cc7nc6c6cccc(c3nc2c1)c6c45,411.97,,,,
+819429551,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Sc8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.37088138,,,
+819812613,*Nc1ccc(Cc2ccc(N*)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1,,0.37242731,,,
+819863073,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(S(=O)(=O)c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O,,0.35983629,,,
+819957053,*Nc1ccc(CC(C)(C)NC(=O)CCC(*)=O)cc1,,0.33397161,,,
+820067576,*CC(O)CN(CC(O)CN(*)c1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35876659,,,
+820073046,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O,,0.35449352,,,
+820293105,*Oc1ccc(OC(=O)CCCCCCCCC(*)=O)cc1,,0.35187189,0.257,1.048950682,23.48222813
+820510299,*Nc1ccc(NC(=S)NC(=O)c2ccc(C(=O)NC(*)=S)cc2)cc1,220.8197438,,,,
+820601696,*C(=O)c1ccc2ncc(-c3ccc(-c4cnc5ccc(*)cc5n4)cc3)nc2c1,,0.40401109,,,
+820692130,*CC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.32771486,,,
+821219964,*CC(*)C(=O)Oc1ccc(C(=O)O)cc1,,0.31040659,,,
+821229257,*Oc1ccc(OC(=O)CCCCCCCC(*)=O)cc1,-6.058372606,,,,
+821537914,*CC(*)c1ccccc1C(=O)OC,,0.35299495,0.1736666666666666,,
+821542361,*Sc1ccc(Nc2ccc(*)cc2)cc1,,0.3997415,,,
+821655324,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(OCCCCCCCC)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37014915,,,
+821914285,*c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1C)C2=O,,0.39473937,,,
+822072702,*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N4C(=O)c5ccc(*)cc5C4=O)cc2)C3=O)cc1,-71.68107141,,,,
+822079361,*CC(*)C(=O)NCP(=O)(O)O,,0.26739328,,,
+822137197,*CCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,,,0.261,,
+822757140,*CNC(=O)OC(c1ccco1)C(OC(=O)NCc1ccc(C(C)(C)c2ccc(*)o2)o1)c1ccco1,,0.35185553,,,
+822972602,*NNC(=O)CCC(=O)NNC(=O)CCCCCCCCC(*)=O,64.69850401,,,,
+823244753,*Nc1nc(N*)c(N)nc1N,,0.31946255,,,
+823634116,*c1cccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.38545979,,,
+824512000,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.34911505,,,
+825127348,*c1ccc2cc(-c3nc4ccc(-c5ccc6nc(*)[nH]c6c5)cc4[nH]3)ccc2c1,,0.43811052,,,
+825973293,*c1cc(C)c(Oc2ccc(S(=O)(=O)c3ccc(Oc4cc(C)c(C5(*)OC(=O)c6ccccc65)cc4C)cc3)cc2)cc1C,,0.39578665,,,
+826258963,*C=CC1CC(*)C(C(=O)OCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1C(=O)OCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,27.68661296,,,,
+826441672,*NC1CC(C)(C)CC(C)(CNC(=O)c2cc(NC(=O)C(C(C)CC)N3C(=O)c4ccccc4C3=O)cc(C(*)=O)c2)C1,,0.34594928,,,
+827035363,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCC)cc1,,0.33464221,,,
+827086896,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(-c5ncc(*)o5)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.397283,,,
+827590818,*c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.37388099,,,
+828069066,*CC(CC(*)(C#N)C#N)c1ccc(F)cc1,,0.39106819,,,
+828078901,*c1ccc(Oc2ccc(P(C)(=O)c3ccc(Oc4ccc(C5(*)OC(=O)c6ccccc65)cc4)cc3)cc2)cc1,,0.38109983,,,
+828636202,*Nc1ccc(C(C)(C)c2ccc(NC(=O)c3cc(C(*)=O)cc(S(=O)(=O)c4ccccc4)c3)cc2)cc1,,0.3631737,,,
+828717601,*Nc1ccc(CCc2ccc(CCc3ccc(N*)cc3)cc2)cc1,,0.34961202,,,
+828807298,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6C(F)(F)F)cc5)n4)cc3)c(C(F)(F)F)c1)C2=O,,0.36226702,,,
+828904716,*CCCCCCNC(=O)CCC(C)CC(=O)N*,,0.33972833,,,
+829968625,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(N=Nc3ccc(Cl)cc3)c3ccccc23)cc1,,0.36207231,,,
+829981361,*Oc1ccc(C(C)(C)c2ccc(OC(=O)NC(=O)c3cc(C(=O)NC(*)=O)cc(C(C)(C)C)c3)cc2)cc1,,0.3446568,,,
+830475899,*CCCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCCCOCCOCCO*,,0.34027118,,,
+831848484,*CCC(C)CC(=O)O*,,0.34423811,,,
+831990105,*CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)cc1,,0.3239093,,,
+832112945,*CCCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.33800885,,,
+832174357,*CCCCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,17.27783213,,,,
+832267594,*C1C(=O)N(c2ccc(O[Si](C)(C)C)cc2)C(=O)C1*,,0.43916684,,,
+832293069,*CCN(*)C(=O)c1c(F)cccc1F,,0.34715202,,,
+832907527,*Nc1cccc2c(NC(=O)Nc3cc(NC(*)=O)cc(C(=O)Nc4ccc5c(c4)C(=O)c4ccccc4C5=O)c3)cccc12,,0.32826884,,,
+832948495,*Nc1ccc(-c2cc(-c3ccc(N)cc3)cc(-c3ccc(N*)cc3)c2)cc1,,0.348951605,,,
+833018953,*CCCC(C)(C)CNC(=O)c1ccc(C(=O)N*)cc1,,0.34232189,,,
+833673959,*O[Si](C)(C)CCCCCC[Si](*)(C)C,,0.44650373,,,
+834012774,*CC(*)c1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1,,0.42262302,,0.975794098,10.58513595
+834236236,*Nc1ccc2c(c1)C(C)(C)c1cc3c(N*)c4ccccc4c(N)c3cc1-2,,0.38120825,,,
+834328037,*CCCCCCCCc1nc2ccc(-c3ccc4nc(*)oc4c3)cc2o1,,0.38060796,,,
+834450099,*C(=O)Nc1cc(NC(=O)c2cncc(*)c2)cc(-c2nnc(-c3ccccn3)o2)c1,,0.36789463,,,
+834642680,*c1ccc(-c2ccc(S(=O)(=O)NCCNS(*)(=O)=O)cc2)cc1,173.2454244,,,,
+835449661,*CCCCCCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.34163356,,,
+835465429,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N=Nc2ccccc2)cc1,,0.3703315,,,
+836337726,*c1ccc2oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(*)(=O)=O)cc5)cc4)cc3c2c1,,0.37867656,,,
+836390884,*Nc1cc2c(cc1N*)C(C[C@H](CC)CCCC)(C[C@H](CC)CCCC)c1cc(N)c(N)cc1-2,,0.35441352,,,
+836759737,*CC(C)(CO*)COCC(F)(F)C(F)(F)C(F)(F)F,,0.35888622,,,
+836965269,*CC(=O)Nc1ccc(Oc2ccc(NC(=O)CN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33219113,,,
+837296086,*OP(=O)(Oc1ccc(OC)cc1)Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.34736304,,,
+837351512,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3cccc(C)c32)cc1,,0.37209959,,,
+837417544,*Nc1ccc(-c2ccc(N*)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.34397372,,,
+837604570,*CCCCOCCCCOCCCCOC(=O)c1ccc(N=Cc2cc(OCCC(C)CCCC(C)C)c(C=Nc3ccc(C(=O)O*)cc3)cc2OCCC(C)CCCC(C)C)cc1,,0.37606592,,,
+838168073,*C(=O)NCCNC(=O)c1ncn(C)c1*,,0.30881015,,,
+838352971,*Nc1ccc2c(c1)Cc1cc(N*)c(N)cc1-2,,0.35883354,,,
+838510907,*Oc1ccc(C(=O)c2cccc(-c3cccc(C(=O)c4ccc(*)cc4)c3)c2)cc1,,0.36823829,,,
+838925791,*CCCN(C)c1ccc(C(=O)c2ccc(N(*)C)cc2)cc1,,0.37870937,,,
+839165953,*N[C@@H](CCC[C@H](N*)C(=O)[C@@H](N)[C@@H](C)O)C(=O)O,,0.30156557,,,
+839183601,*OC(C)CC(*)=O,,0.33260696,,,
+839463211,*Nc1noc2nc3c(C(=O)OCC)cc(C(=O)c4ccc(C)cc4)c(N)c3c(N*)c12,,0.33167362,,,
+839630987,*c1cccc(OCCCCCCCCCCCCOc2cccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.3592549,,,
+839752989,*CCCCCCCCCCC(=O)NCCCCCOCCCCCNC(=O)CCCO*,,,0.303,0.949699751,22.28109939
+839878795,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C5(*)c6ccccc6C(=O)N5C)cc4)cc3)cc2)cc1,,0.39435805,,,
+840186031,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5sc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)c(-c6ccccc6)c5-c5ccccc5)cc3)C4=O)cc2)cc1,,0.38721196,,,
+840194928,*CCCCCCCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.37504022,,0.949326163,16.72244264
+840303746,*CC(O)CN(CCO)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(CCO)CC(O)COc3ccc(C(C)(C)c4ccc(O*)cc4)cc3)cc2)cc1,,0.33980494,,,
+840698807,*CC(*)C(=O)OCC(C)CC,,0.37285766,0.221,0.919640881,13.54986722
+841055334,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc4c(=O)n5c6cc(-c7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.3824439,,,
+841072650,*c1ccc(N(*)CCCCCCC)cc1,110.7170963,,,,
+841081788,*CCCCNC(=O)CC(=O)N*,,0.30389328,,,
+841226784,*CC(*)(C)C(=O)Oc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1,,0.34391945,,,
+841328550,*c1cc(N2C(=O)c3ccc(Oc4ccc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5c4)cc3C2=O)cc(C(F)(F)F)c1,,0.37446524,,,
+841576889,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3ccc(Oc4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.38634637,,,
+842024022,*Oc1ccc(OC2(F)C(*)(F)C(F)(F)C2(F)F)cc1,,0.34021379,,,
+842148313,*Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N*)c(-c3ccccc3C)c2-c2ccccc2C)cc1,,0.37961071,,,
+842167683,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCC(c%10ccccc%10)CC9)cc8)cc7C6=O)cc5)cc4)CC4CCC3C4)cc2)cc1,,0.38120517,,,
+842432665,*CC1CCC(COC(=O)CCCCCCCCCCC(=O)O*)CC1,,,0.279,,
+842879180,*CC(*)(C)C(=O)Oc1ccccc1C,,,0.1905,1.024902598,13.62318206
+843120215,*Oc1c(OC)cc(-c2cc(OC)c(OC(=O)c3cccc(C(*)=O)c3)c(OC)c2)cc1OC,,0.34670291,,,
+843575922,*CCOCCOCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(O*)cc3)c2)cc1,,0.34013313,,,
+843758383,*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O,,0.43055287,,,
+843894109,*Nc1ccc(C(c2ccc(N*)cc2)=c2ccc(=C)cc2)cc1,,0.364906,,,
+844100895,*CCOCCOP(=O)(N=Nc1ccc(-c2ccc(N=NP(=O)(O*)OC)cc2)cc1)OC,,0.35788799,,,
+844147775,*CCCCCCNC(=O)C(CCCCCCCCCCCCCCCCC)C(=O)N*,,,0.3505,0.889924513,16.83151528
+844156595,*c1cc(C(=O)OCCCCC)cc(N2C(=O)CC(C3Cc4ccccc4C4C(=O)N(*)C(=O)C43)C2=O)c1,,0.3651339,,,
+844411055,*c1cccc(P(=O)(c2ccc(Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.38257569,,,
+844805086,*c1ccc2oc(-c3ccc(C(c4ccc(-c5nc6cc(C(*)(c7ccccc7)C(F)(F)F)ccc6o5)cc4)(C(F)(F)F)C(F)(F)F)cc3)nc2c1,,0.42531677,,,
+845322563,*CCCCCCC(=O)N*,,0.35135573,,,
+845810761,*c1ccc(C(=O)c2ccc(C(=O)c3ccc(S(*)(=O)=O)cc3)cc2)cc1,,0.37728545,,,
+845873232,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4ccc(C(c5ccc(C(=O)Nc6ccc(*)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc12,,0.35696537,,,
+845994024,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc2)cc1,,0.35537215,,,
+846108255,*Oc1ccc(Oc2ccc(C(=O)c3ccc(NC(=O)CCCCCCCCC(=O)Nc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.35538717,,,
+846390932,*Nc1ccc(/C=C/c2ccccc2/C=C/c2ccc(N*)cc2)cc1,,0.35311635,,,
+846455978,*Nc1cc(O)c(-c2c(O)c(O)c(N)c(N)c2N*)c(O)c1,,0.31859202,,,
+846469607,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4cccc(-c5cccc(C(=O)c6ccc(*)cc6)c5)c4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37249164,,,
+846662171,*CCCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.34909907,,,
+846740244,*Nc1cc(S)c(N*)cc1S,,0.34631119,,,
+846811981,*Nc1ccc(C(C)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36464453,,,
+847044135,*CC(*)C(=O)N(O)c1ccccc1,141.1832818,,,,
+847356042,*CCCCCCOC(=O)OCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.34612362,,,
+848025633,*c1cc(C(c2ccc(OCCN(C)c3ccc(C=CC4=CC(=C(C#N)C(=O)OCCc5ccccc5)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(c1ccccc1)c1ccc(C=CC2=CC(=C(C#N)C(=O)OCCc3ccccc3)CC(C)(C)C2)cc1,,0.37158327,,,
+848202218,*CC(O)COc1ccc(C2CCCC(CC)(c3ccc(O*)cc3)C2)cc1,,0.35559164,,,
+848295596,*Oc1cccc(Oc2ccc(NC(=O)c3ccc(-c4ccc(C(=O)Nc5ccc(*)cc5)c(C)c4)cc3C)cc2)c1,,0.35683995,,,
+848393860,*Nc1ccc([C@@]2(c3ccccc3)c3ccccc3-c3cc(N*)ccc32)cc1,,0.37057896,,,
+848462258,*CC(*)OC(=O)c1cccc(Cl)c1,,0.35874129,,,
+849184713,*Oc1c(Cl)cc(*)cc1Br,,0.4236255,,,
+850250800,*c1c(C)cc(C(c2cccnc2)c2cc(C)c(N3C(=O)CC(Nc4cccc(NC5CC(=O)N(*)C5=O)c4)C3=O)c(C)c2)cc1C,,0.38678861,,,
+850843223,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O,,0.36985522,,,
+851867509,*CC(*)C(=O)Oc1cccc(C)c1,,0.35823799,0.2055,1.071947231,13.42046484
+852036166,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)Oc5c(C)cc(C(C)(C)c6cc(C)c(OC(=O)c7ccc(*)cc7)c(C)c6)cc5C)cc4)cc3)CCC(C(C)(C)C)CC2)cc1,,0.39731792,,,
+852138859,*CCCCCCCCCCCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(*)C3=O,101.4116865,,,,
+852180145,*CC(*)(C)C(=O)OCCN(CC)c1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.37352321,,,
+852184111,*c1cc(C)c(*)s1,,0.5168642,,,
+852432684,*Nc1ccc(Cc2ccc(NC(=O)/C=C/c3ccc(/C=C/C(*)=O)cc3)cc2)cc1,,0.3481612,,,
+852454383,*Nc1ccc(/C=C2/c3ccccc3-c3ccc(N*)cc32)cc1,,0.3508840749999999,,,
+852757055,*Nc1cc(C)c(C)c2c(N*)cc(C)c(C)c12,,0.34685576,,,
+852866777,*c1cccc(Cc2cccc(N3C(=O)c4ccc([Si](C)(C)c5ccc(-c6ccc([Si](C)(C)c7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.38577325,,,
+853471397,*/C=C/CCCCCCC(Cl)CCCCCC*,,,0.3405,0.903154394,19.54188854
+854050780,*CCOCCOP(=O)(N=Nc1ccc(Oc2ccc(N=NP(=O)(O*)OC)cc2)cc1)OC,,0.35616921,,,
+854325702,*O[Si](*)(CCCOCCOCCOCCOCCOCCOC)CCCOCCOCCOCCOCCOCCOC,,0.36409015,,,
+854626537,*Nc1ccc(-c2c(N*)ccc3c2[C@@H](C)CC3(C)C)cc1,,0.36596567,,,
+855265813,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccc(C)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38349717,,,
+856310175,*CC(*)(CC(=O)OC)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,,0.37886731,,,
+857493941,*C=C(*)CCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1,,0.33826779,,,
+857690226,*CCN(*)C(=O)C(CC)CCCC,,0.38443623,,,
+858163366,*CCCCCCNC(=O)C(CC)CC(CC)C(=O)N*,,0.35751221,,,
+858271129,*N=Nc1ccc(C(=O)NCCCCNC(=O)c2ccc(*)cc2)cc1,,0.34984295,,,
+858364876,*Nc1cc2c(cc1N*)C(C)(C)CC2(C)C,,0.36750858,,,
+858663171,*CCC(=O)O*,,0.3077545,,,
+859360973,*Nc1ccc(-c2cccc(-c3cccc(-c4ccc(N*)cc4)c3)c2)cc1,,0.34516599,,,
+859487043,*C(=O)Oc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(OC(=O)c4ccc(*)nc4)cc3)c2)cc1,,0.33873144,,,
+859606185,*Cc1ccc(CNC(=O)c2cc(C(=O)N*)cc(C(C)(C)C)c2)cc1,,0.34874019,,,
+859644583,*CCCCCCCCCCCCCCOC(=O)C/C=C/CC(=O)O*,-41.10158883,,,,
+859659419,*CC(CSCCCC)O*,,0.41461382,,,
+859939433,*Nc1ccc([C@]23C[C@@H]4C[C@@H]5[C@@H]6C[C@H](C[C@H]52)C[C@@]3(c2ccc(N*)cc2)[C@@H]6C4)cc1,,0.35828475,,,
+860122882,*Nc1ccc([C@@]23C[C@@H]4C[C@@H](C[C@@](N*)(C4)C2)C3)cc1,,0.34323604,,,
+860336451,*CCCCCCOC(=O)C(CCCCP(=O)(O)O)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.34888897,,,
+860722279,*O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,,0.38225238,,,
+860898971,*CCOCCOCCOCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.34018016,,,
+861130931,*CCCCCCCCCCCCCCCCCCCCC(*)COCCOCCOCCOCCOCCCCCC,,,0.39925,0.886368922,18.76168306
+861281692,*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(Oc3ccc4c(=O)n5c6cc(-c7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.40111229,,,
+861558907,*OCCOC(=O)c1cc(N=Nc2ccc(OCC)cc2)ccc1-c1ccc(N=Nc2ccc(OCC)cc2)cc1C(=O)OCCOc1nc(-c2ccc(OCCCC)cc2)nc(*)c1-c1ccc(OC)cc1,,0.36727846,,,
+861681123,*COC(=O)NCc1ccc(CNC(=O)OCc2ccc(*)o2)o1,,0.32330608,,,
+862321368,*CC(*)c1cc(C(=O)OCCCCCC)ccc1-c1ccc(OCCCCCCCC)cc1,,0.38417048,,,
+862498467,*C(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)c(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4C)c(C)c2)C3=O)c1,,0.38353529,,,
+862699408,*Oc1cc(C(C)(C)c2ccccc2)c(OC(=O)c2cccc(C(*)=O)c2)cc1C(C)(C)c1ccccc1,,0.38262051,,,
+862879139,*Nc1ccc(-c2ccccc2)cc1-c1c(N*)ccc2ccccc12,,0.34947854,,,
+863587457,*CC(O)COC(=O)CCCCC(=O)O*,,0.31523099,,,
+863625275,*Nc1c(C)cc(C2(c3cc(C)c(N*)c(C)c3)c3cccc(C)c3-c3c(C)cccc32)cc1C,,0.38998404,,,
+864305544,*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F,,,0.069,1.327370903,15.38423682
+864842890,*CCCCCCCCCCCCOc1ccc(C=NN=Cc2ccc(O*)cc2O)c(O)c1,,0.36634153,,,
+865092427,*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)c5ccccc5C(=O)N4C)cc3)cc2)cc1,,0.36865057,,,
+865332656,*CCCCCCCCCCCC(=O)N(*)C,,0.37628119,,,
+865769090,*CC(*)(F)C(C)=O,,0.32677748,,,
+865858202,*Oc1ccc(C(=O)CNc2ccc(S(=O)(=O)c3ccc(NCC(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.36395079,,,
+865879594,*CC(*)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,,0.3854775,,,
+865948061,*c1ccc(-c2ccc(-c3ccc(-n4c(=O)c5cc6c(=O)n(*)c(=O)c6cc5c4=O)cc3)cc2)cc1,278.5221779,,,,
+866279797,*Nc1ccc(C(=O)c2ccc(NC(=O)c3cc(C(*)=O)cc(C(C)(C)C)c3)cc2)cc1,,0.36605303,,,
+866677131,*O[Si](*)(C)CCCCCCCCCCCOc1ccc(/C=C/c2ccc(OC)cc2)cc1,,0.37913945,,,
+866841862,*Nc1ccc(C(C)=C(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36759676,,,
+866951127,*CC(*)CCCC(C)C,5.980301023,,0.2573333333333333,,
+867336767,*Nc1ccccc1C(C)(C)c1ccc(-c2ccc(C(C)(C)c3ccccc3N*)cc2)cc1,,0.35983878,,,
+867393548,*CCCCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)N*,,0.36160098,0.4,0.953783995,18.42693992
+867402833,*CC(*)C(=O)c1ccccc1,,0.36539681,,,
+867714785,*C(C)=C(*)[Si](C)(C)CCCC,152.5242236,,,,
+867758699,*c1nc(-c2ccccc2)nc(N(CCCCCCCCCCN(*)c2ccccc2)c2ccccc2)n1,,0.38458096,,,
+869392310,*NC1=CC=C2C=Cc3c(N*)ccc4c3[C@H]2[C@@H]1C=C4,,0.33488674,,,
+869406421,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4cccc(Oc5c(C)cc(Cc6cc(C)c(Oc7cccc8c7C(=O)N(*)C8=O)c(C)c6)cc5C)c4C3=O)c(C)c2)cc1C,,0.40218453,,,
+869708404,*c1ccc2c(c1)C(=O)N(c1cc(NC(=O)OCCN(CCOC(=O)Nc3cc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)ccc3C)c3ccc(N=Nc4ccc([N+](=O)[O-])cc4)cc3)ccc1C)C2=O,,0.35814265,,,
+870443283,*c1ccc(Nc2nc(Nc3ccc(-c4nc5cc(-c6ccc7[nH]c(*)nc7c6)ccc5[nH]4)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1,,0.4152424,,,
+870679146,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5c4)cc2)C3=O)c1,,0.35133483,,,
+871001883,*Nc1ccc(-c2ccc(NC(=O)c3cccc(C(*)=O)c3)c(O)c2)cc1O,,0.32620307,,,
+871245251,*CCOP(=O)(N=Nc1ccc(C(=O)c2ccc(N=NP(=O)(O*)OCC)cc2)cc1)OCC,,0.36466519,,,
+871482212,*CC(*)OC(=O)C1CCCCC1,,0.36242795,,,
+871802155,*CC(*)(C)C(=O)OCc1ccc(OCCOCC)c(OCCOCC)c1,,0.3637068,,,
+872295488,*CC(*)OC(=O)C(C)(C)C(C)(C)CC,,0.37176287,,,
+873004206,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Sc8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36939171,,,
+873238288,*Nc1cc(N)c(N)c(C)c1C(=O)Oc1cc(N)c(-c2cc(N)c(N)c(C)c2N)c(C)c1N*,,0.32140926,,,
+873401341,*Oc1ccc(NC(=C(C#N)C#N)c2ccc(C(Nc3ccc(*)cc3)=C(C#N)C#N)cc2)cc1,,0.401116,,,
+873453731,*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)c3cc(*)ccc3n4C)cc2)cc1,73.83261176,,,,
+873632495,*C#Cc1ccccc1C#C[SiH](*)c1ccccc1,,0.43769633,,,
+873980403,*CC(*)(C)C(=O)OCCOCCOCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35955244,,,
+874837683,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cc(CCCCC)cc(C(*)=O)c3)cc2)cc1,,0.36567786,,,
+875422792,*Oc1ccc2cc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)ccc2c1,,0.36982073,,,
+875480288,*CCCC1CCN(C(=O)c2ccc(C(=O)C3CCN(*)CC3)c(Oc3ccccc3)c2)CC1,131.1821319,,,,
+875491202,*c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc2)cc1,292.5925873,,,,
+875508039,*Nc1ccc(-c2ccc(N*)c(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1,,0.3677538,,,
+876188876,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)cc3)CCC3CCCCC3C2)cc1,,0.39821297,,,
+876238099,*c1ccc(N(*)CCCCCC)cc1,-128.6299242,,,,
+877528478,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(=O)O*,,,0.406,0.89731003,22.86240687
+877661391,*CC#CC(C#CCOC(=O)CCCCCCCCC(=O)O*)=Cc1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1,,0.37813011,,,
+878287974,*Nc1ccc2c(c1)C1(CC2)CCc2ccc(N*)cc21,,0.3601834849999999,,,
+878623302,*C1CC2CC1C(*)C2CCCCCC,,0.40905206,,0.82757252,10.70862832
+878851923,*Oc1ccc(Oc2ccc(C(=O)c3ccc(P(=O)(c4ccccc4)c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.38390226,,,
+879566898,*Cc1c(C)c(C)c(CNC(=O)CCCC(=O)N*)c(C)c1C,,0.33742347,,,
+879855559,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(CC)CC2)cc1,,0.35312515,,,
+880146863,*Nc1ccc(-c2ccc(C(CCCC)(c3ccc(-c4ccc(N)cc4)cc3)c3ccc(-c4ccc(N*)cc4)cc3)cc2)cc1,,0.37280295,,,
+880265803,*CC(COC(=O)O*)OCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.34702977,,,
+880356503,*CCOCCOC(=O)C(=O)O*,,0.30751302,,,
+880710416,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C5(c6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6)NC(=O)c6ccccc65)cc4)cc2)C3=O)c1,,0.36419448,,,
+881168754,*Nc1cccc2c(N*)cccc12,,0.33466696,,,
+881173814,*C1C(=O)N(c2ccccc2)C(=O)C1*,197.1821336,,0.143,1.03911953,14.56697254
+881250244,*c1ccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccc(N7C(=O)C8OC9C(=O)N(*)C(=O)C9C8C7=O)cc6)nc5c4)ccc3nc2-c2ccccc2)cc1,,0.4262251,,,
+881286368,*c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(OCCN(CC)c4ccc(N=Nc5ccc([N+](=O)[O-])cc5)cc4)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1OCCN(CC)c1ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc1)C2=O,,0.37188256,,,
+881699959,*Nc1c2ccccc2c(-c2c3ccccc3c(N*)c3ccc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)c23)c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)ccc12,,0.38407296,,,
+882038181,*O[Si](C)(C)c1cccc(C(F)(F)C(F)(F)c2cccc([Si](*)(C)C)c2)c1,,0.40311719,,,
+882891483,*C(=O)Nc1cc(NC(=O)c2cccc(*)n2)cc(-c2nnc(-c3ccccn3)o2)c1,,0.38275614,,,
+884131140,*CCOCCOCCN1C(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)c(-c4ccccc4)c3)cc2C1=O,,0.33757456,,,
+884364741,*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C2C3CCC(C3)C2C)cc1,,0.38003376,,,
+884656805,*Nc1nc(CCn2ccnc2C)nc(N*)n1,,0.323466525,,,
+884758912,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5F)C6=O)cc4)cc3)cc2)cc1,,0.37981659,,,
+884792716,*Nc1ccc(C(C)(C)c2ccccc2C(C)(C)c2ccc(N*)cc2)cc1,,0.36215314,,,
+884979712,*c1cc(C(=O)NCCCCCCCCCCCCCC)cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.3677936,,,
+885328080,*CC(*)(CC(=O)OCC)C(=O)O,,0.29105461,,,
+885496474,*CC(*)(C)C(=O)OCCN(CC)c1ccc([N+](=O)[O-])cc1,,0.35415635,,,
+886026826,*c1ccc(-c2cc(CCCCCCCC)c(-c3ccc(-c4ccc(-c5sc(-c6ccc([Si](CCCC)(CCCC)[Si](*)(CCCC)CCCC)s6)cc5CCCCCCCC)s4)s3)s2)s1,,0.42281457,,,
+886271093,*CC(*)(C)C(=O)Oc1ccc(N=Nc2ccc(OC)cc2)cc1,,0.35867178,,,
+886386910,*C=Nc1ccc(C(=O)OCCCCOCCCCOCCCCOC(=O)c2ccc(N=Cc3ccc(*)s3)cc2)cc1,,0.36455788,,,
+886529018,*CCCCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCCCCCN2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.34716825,,,
+886858918,*CC(*)c1ccc(Oc2ccccc2)cc1,,0.37467295,,,
+887026171,*O[Si](C)(C)O[Si](C)(C)OC(C)CCC(*)C,,0.42518322,,,
+887350173,*Nc1ccc2c(c1)Oc1cc3c(cc1O2)C1(CC3(C)C)CC(C)(C)c2cc3c(cc21)Oc1ccc(N*)cc1O3,,0.395258,,,
+887653372,*Nc1cc2ccccc2c(-c2c(N*)c(N)cc3ccccc23)c1N,,0.33877583,,,
+887685066,*Nc1cccc2c(N[Se]*)cccc12,,0.38429931,,,
+887804615,*CCOCCOC(=O)c1ccc(NC=Nc2ccc(C(=O)O*)cc2)cc1,,0.34881657,,,
+888408662,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(C(C)(C)c7ccc(Oc8ccc(C(=O)Nc9ccc(*)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.36526252,,,
+889509807,*c1ccc(Oc2ccccc2Oc2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.3732598,,,
+889670641,*Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5cccc(NC(=O)c6ccc(*)cc6)c5)cc4)cc3)c2)cc1,,0.3636819,,,
+889893408,*Nc1cccc(NC(=O)c2ccc(NC(=O)c3ccc([Si](C)(C)c4ccc(C(=O)Nc5ccc(C(*)=O)cc5)cc4)cc3)cc2)c1,,0.35733019,,,
+890037112,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)Cc4cccc(CC(=O)Nc5cccc(O*)c5)c4)c3)cc2)cc1,,0.3397353,,,
+890273694,*C1Oc2ccccc2C1*,,0.40215636,,,
+890286804,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4c3)cc1)C2=O,,0.38094303,,,
+890297179,*c1cc(CCCCCCO[Si](C)(C)C)c(*)s1,,0.42932907,,,
+890414662,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(NC(=O)c4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)cc3)c1)C2=O,,0.35268551,,,
+890512503,*CC(*)(C)C(=O)OC1CC(C)CCC1C(C)C,,0.38071685,,,
+890572584,*C=Cc1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccccc2)c1,,0.39126142,,,
+890993359,*CCCCCCC(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)c(C)c1,,0.3439212,,,
+892241258,*Nc1cc(C(=O)O)c(*)cc1OC,93.18891585,,,,
+893298020,*CC(*)c1ccc(COCCOCC)cc1,,0.37466356,,,
+893952822,*CC(*)c1ccc(C(C)=O)cc1,,0.37541315,0.2296666666666666,1.013613515,14.74755617
+894220698,*c1ccc(C(=O)Nc2ccc(-c3nnc(*)o3)cc2)c(Oc2ccccc2)c1,,0.38004401,,,
+895111852,*CC(COC(=O)O*)OCCCCCCCCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.35711055,,,
+895255248,*c1cccc(N2C(=O)C(=O)N(CCCCCCN3C(=O)C(=O)N(*)C3=O)C2=O)n1,,0.32153178,,,
+895257711,*CCCCCCCCCc1nc2ccc(-c3ccc4nc(*)oc4c3)cc2o1,,0.38117284,,,
+895302963,*O[Si](*)(CCCOCCOCCOC)CCCOCCOCCOC,,0.37166513,,,
+895368318,*c1ccc(Oc2ccc(N3C(=O)C4CCC(C5CCC6C(=O)N(*)C(=O)C6C5)CC4C3=O)cc2)cc1,,0.37758601,,,
+895465907,*CCCCCCCCNC(=O)c1cccc(C(=O)N*)c1,,0.34757271,,,
+896186812,*Nc1ccc(/C=C2\c3ccccc3-c3ccc(N*)cc32)cc1,,0.352654845,,,
+896500717,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCCOCCOCC)cc1,,0.33599709,,,
+896516520,*Oc1ccc(NC(=O)c2cc(-c3ccc(C(=O)OCC)c(C(=O)Nc4ccc(*)cc4)c3)ccc2C(=O)OCC)cc1,,0.34732657,,,
+896836306,*CCCCCCCCCCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.34876143,,,
+897111350,*CCCCCCCCOc1c(OC)cc(C=Cc2ccc(C=Cc3ccc(C=Cc4cc(OC)c(O*)c(OC)c4)cc3)cc2)cc1OC,,0.36573737,,,
+897856664,*C1C(=O)N(c2ccc(O[Si](CC)(CC)CC)cc2)C(=O)C1*,,0.41373857,,,
+897919146,*CCCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,-20.66610996,,,,
+898827717,*C/C=C\COC(=O)CCCCCCCCC(=O)O*,,0.35027613,,,
+899188513,*CC(COc1ccc(-c2ccc(C#N)cc2)cc1)O*,,0.3561426,,,
+899991188,*CCCCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,,0.37055224,0.355,0.905325915,21.08607303
+900206396,*c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3ccc(Oc4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.3944462,,,
+900377151,*Nc1ccc(/C(=C(/c2ccccc2)c2ccc(N*)cc2)c2ccccc2)cc1,,0.3773241,,,
+900477091,*OC(COC(=O)c1ccccc1-c1ccccc1C(*)=O)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.3636633,,,
+901091575,*C(=O)OCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.34926735,,,
+901146079,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccccc6Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.35799953,,,
+901361482,*CC(*)c1cc(C(=O)Oc2ccc(OCCCCCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCCCCCC)cc1,,0.3687618,,,
+901629107,*CCCCOC(=O)/C=C/C(=O)O*,,0.32664054,,,
+902068777,*CCCCCCOC(=O)CCCCCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(CCCCCCCCCCC(=O)OCCCCCCN4C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C4=O)C5=O)cc3)cc2C1=O,,0.34746977,,,
+902689817,*Oc1ccc(C(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)c2ccccc12,,0.36856069,,,
+902705671,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCCCCCCCCCCCC)cc1,,0.35587178,,,
+902763521,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(-c5nnc(*)c6c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c56)cc4)cc3)cc2)cc1,,0.4099229,,,
+903431099,*CC(*)(C)C(=O)OCc1ccc(Cl)cc1,,0.35830867,,,
+903930104,*c1ccc(OCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCOc2ccc3nc(*)sc3c2)cc1,-17.21827415,,,,
+904061966,*CC(*)(C)C(=O)Oc1ccc(N=Nc2ccc(OCCCCCCCCCCCOC(=O)c3ccc4c(c3)OCCOCCOCCOCCO4)cc2)cc1,,0.35926185,,,
+904517028,*O[Si](C)(C)c1ccc([Si](C)(C)Oc2c(C)cc(-c3cc(C)c(*)c(C)c3)cc2C)cc1,,0.39864657,,,
+904673850,*CCCCCCNC(=O)CC(C)c1ccc(C(C)CC(=O)N*)cc1,,0.35386702,,,
+904679252,*Oc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1-c1ccc(S(=O)(=O)O)c(C)c1,,0.37255113,,,
+904704494,*CCN(*)C(=O)CCC,,0.35159195,,,
+904791008,*CCCCCCCCCCCCCCC(=O)O*,,0.38218205,0.3595,0.893283062,18.2412139
+905076848,*CC(*)(C)C(=O)Oc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.37991064,,,
+906179701,*c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)c5cc(Oc6ccc7nc(*)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)cc1,,0.40373085,,,
+906210584,*CC1CCC(COP(=O)(N=Nc2ccc(Oc3ccc(N=NP(=O)(O*)OC)cc3)cc2)OC)CC1,,0.36114969,,,
+906778852,*Oc1cccc(NC(=O)CCCCC(=O)Nc2ccc(*)cc2)c1,,0.33664117,,,
+906799787,*c1cnc(C2C(c3ccccc3)C(*)C2c2ccccc2)cn1,,0.39156002,,,
+907119862,*CCC(C)CC(C)(C)CNC(=O)c1ccc(C(=O)N*)cc1,,0.3423688,,,
+907128555,*CC(O)COC(=O)CCCCC(=O)OCC(O)COc1ccc(C(=O)Oc2ccc(O*)cc2)cc1,,0.32619562,,,
+907537660,*CC(*)(C)C(C)=O,,,0.1669999999999999,0.887508896,15.25957674
+907618399,*c1cccc(P(=O)(c2ccccc2)c2cccc(N3C(=O)c4ccc(NC(=O)OCCOc5c(Br)cc(C(C)(C)c6cc(Br)c(OCCOC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)c(Br)c6)cc5Br)cc4C3=O)c2)c1,,0.37634912,,,
+907710212,*Oc1c(C)cc(C(=O)c2ccc(*)cc2)cc1C,,0.4003208,,,
+908333095,*C(=O)Nc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(-c4nnc(-c5ccccn5)o4)cc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc(-c2nnc(-c3ccccn3)o2)c1,,0.38905414,,,
+908476662,*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)cc2)cc1,,0.38628112,,,
+908638014,*CCCCCCCc1nc2ccc(-c3ccc4nc(*)oc4c3)cc2o1,,0.37087012,,,
+908754108,*CC(*)C(=O)OCF,,0.30797623,,,
+908812975,*Oc1ccc(N(c2ccc(OC)cc2)c2ccc3ccc(N(c4ccc(*)cc4)c4ccc(OC)cc4)cc3c2)cc1,,0.41219974,,,
+908837792,*Nc1ccc(CCCCCCc2ccc(N*)cc2)cc1,,0.34643324,,,
+909382922,*Oc1ccccc1S(=O)(=O)c1ccc(*)cc1,,0.36770444,,,
+909509106,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,,0.42702035,,,
+909673553,*CCC[Si](*)(C)O[Si](C)(C)CCCOc1ccc(C#N)cc1,,0.40108774,,,
+909955996,*C(=O)CCC1(CCC(=O)N2CCN(*)CC2)c2ccccc2-c2ccccc21,,0.35082586,,,
+910389413,*Nc1cc(C)c2c(N*)cccc2c1,,0.34129811,,,
+911111741,*Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N*)cc3)c2)cc1,,0.35180608,,,
+911981082,*CC(*)c1ccc(C(=O)OCC(C)C)cc1,,0.38415931,,,
+912214142,*Oc1c(C)cc(*)cc1C(C)CCCC,,0.42545276,,,
+912864989,*CC(*)(Cl)C(=O)OC1CCCCC1,,,0.1365,1.054643244,12.33320291
+912967034,*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*)cc1,,,0.3195,0.936212185,22.57031329
+913368014,*CC(OC)C(C(=O)OC)C(*)C(=O)OC,,0.33997342,,,
+913582816,*CCCCCCCCCCCCCCCCCCCCCCOC(=O)Cc1ccccc1CC(=O)O*,,,0.367,,
+913768396,*Oc1ccc(C(=O)OCCOCCOCCOC(=O)c2ccc(OC(=O)Nc3cc(NC(*)=O)ccc3C)cc2)cc1,100.4455143,,,,
+914204004,*c1cc(OCCCC)c(*)cc1OCCCC,,0.42056313,,,
+914466551,*CC(*)OC(=O)c1ccc(-c2ccccc2)cc1,,0.35360889,,,
+914573947,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCC(c%10ccccc%10)CC9)cc8)cc7C6=O)cc5)cc4)CC4CC3C3CCCC43)cc2)cc1,,0.37595307,,,
+915211571,*c1ccc(-c2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3C(F)(F)F)c(C(C)(C)C)c2)cc1,,0.41001219,,,
+915222222,*C1C2CC(C(=O)OCCc3ccc(N(c4ccccc4)c4ccccc4)cc3)C(C2)C1*,,0.37725216,,,
+915365516,*Nc1ccc2c(c1)[C@H]1c3ccccc3[C@@H]2c2ccc(N*)cc21,,0.37877881,,,
+915411038,*Oc1ccc(N=CCCCC=Nc2ccc(OC(=O)Nc3ccc(Cc4ccc(NC(*)=O)cc4)cc3)cc2)cc1,,0.35326814,,,
+915653393,*Oc1ccc(C2(C)CCC(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)CC2)cc1,,0.38061245,,,
+915714545,*Nc1ccc(-c2ccc(N*)c(C)c2-c2cccc(C)c2)cc1C,,0.36515861,,,
+915798099,*Oc1ccc(C2(c3ccc(OC(=O)CCC(*)=O)cc3)c3cc(N(C)C)ccc3-c3ccc([N+](=O)[O-])cc32)cc1,,0.38013673,,,
+915909655,*CC(*)(CC(=O)OC)C(=O)OC12CC3CC(CC(C3)C1)C2,,0.37783312,,,
+916135247,*Oc1ccc(NC(=O)c2ccc(*)cc2)cc1,,0.35267198,,,
+916461490,*CCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,0.36210647,,,
+916566560,*Nc1ccc([C@]2(C)CC(C)(C)c3cccc(N*)c32)cc1,,0.36101129,,,
+917149837,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4cccc5c(N6C(=O)c7ccc(*)cc7C6=O)cccc45)cc2)C3=O)n1,,0.35579291,,,
+917240080,*c1ccc(C(c2ccc(-c3cc(-c4ccccc4)c4cc(Oc5ccc6nc(*)cc(-c7ccccc7)c6c5)ccc4n3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.40660468,,,
+917545259,*CCC(F)(F)C(*)(F)F,,0.34634024,,,
+917692864,*C(F)(F)C(*)(F)Cl,,,0.139,,
+917837982,*c1ccc(Oc2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2C(C)(C)C)cc1,,0.40671678,,,
+917938501,*CC(*)OC(=O)OCC(F)(F)F,,0.32040893,,,
+918157319,*c1c(C)c(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c(C)c2c1C(C)(C)CC2,325.2939228,,,,
+918244660,*c1cccc(NC(=O)c2ccc(OCCOCCOCCOCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)c1,,0.34339353,,,
+918773447,*c1ccc(-c2ccc(N3C(=O)c4cc5c(cc4C3=O)C(C(F)(F)F)(C(F)(F)F)c3cc4c(cc3O5)C(=O)N(*)C4=O)cc2C(F)(F)F)c(C(F)(F)F)c1,472.25,,,,
+919063854,*CC(*)CC1CCCC1,,,0.2283333333333333,,
+919712594,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.34179586,,,
+919768604,*Nc1ccc(/C(C)=C(\C)C(C)(C)c2ccc(N*)cc2)cc1,,0.360922,,,
+920265814,*c1cccc(C(=O)Nc2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(-c9cccc%10c9C(=O)N(*)C%10=O)cc8C7=O)c6)cc5)cc4)cc3)cc2)c1,,0.36163095,,,
+920561799,*O[Si](C)(C)O[Si](C)(C)Oc1ccc(-c2ccc(*)cc2)cc1,,0.40651802,,,
+920814890,*C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc6c(N7C(=O)c8ccc(*)cc8C7=O)cccc56)cc3)C4=O)c(OC)c2)cc1OC,,0.35702577,,,
+921026823,*C=C[Ge](C=C[Si](*)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,,0.39366166,,,
+922945428,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C(C)(C)c5cccc(C(C)(C)c6ccc(Oc7ccc(C(=O)Nc8ccc(*)cc8)cc7)cc6)c5)cc4)cc3)cc2)cc1,,0.36520777,,,
+922969981,*Oc1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(*)cc4)cc3)(P3(=O)Oc4ccccc4-c4ccccc43)P3(=O)Oc4ccccc4-c4ccccc43)cc2)cc1,,0.36147849,,,
+922972840,*CC(*)(C)C(=O)OCCCCCCCCCCCCCCC(=O)NC1OC(COC(C)=O)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O,,0.34215996,,,
+923029677,*CCCCCC(=O)S*,,0.39191905,,,
+923105283,*c1ccc(OC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C(=O)Oc4ccc(C5(*)OC(=O)c6ccccc65)cc4)cc3)cc2)cc1,,0.37881873,,,
+923146158,*CCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCNC(=O)N*,,0.37604443,0.344,,
+923568845,*Oc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3ccc(N(c4ccc(*)cc4)c4ccc(OCCCCCC)cc4)cc3)cc2)cc1,,0.40556896,,,
+924221537,*c1ccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1,,0.44967432,,,
+924258388,*CC(*)OC(=O)c1ccc(OC)cc1,,0.34230372,,,
+924456640,*CCC(c1ccccc1)[Si](*)(C)C,,0.39149503,,,
+924584081,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4C3=O)cc2)cc1,,0.39334445,,,
+924846340,*Nc1ccc2c(c1)-c1cc(N*)ccc1C21c2ccccc2-c2ccccc21,,0.38016064,,,
+925076863,*CCCCCC(*)CCC,,0.40474828,,,
+925163617,*C(=O)c1cc(C(=O)c2ccc3[nH]c4ccc(*)cc4c3c2)c(C(=O)O)cc1C(=O)O,106.1795053,,,,
+925500331,*c1ccc(CC(=O)Nc2cccc3c(NC(=O)Cc4ccc(-c5sc(*)c(-c6ccccc6)c5-c5ccccc5)cc4)cccc23)cc1,,0.38341143,,,
+925984041,*CCCCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,,,0.293,,
+925989264,*Oc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1-c1ccccc1,,0.3777411,,,
+926324198,*c1ccc(-c2nnc(*)o2)c(OCCCCCCCC)c1,,0.41320631,,,
+926346453,*C(=O)NCCNC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.32267936,,,
+926490158,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3ccc4c(c3)c3cc(*)ccc3n4-c3ccccc3)ccc1-2,,0.39925527,,,
+926565348,*Oc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37216814,,1.200029536,24.89017712
+926565511,*CC(*)(C)C(=O)OCCCCCCN(C)c1ccc(N(C)C)cc1,,0.36989914,,,
+926851553,*Cc1c(C)c(C)c(CSC(=O)CCCCC(=O)S*)c(C)c1C,44.80678229,,,,
+926945718,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3ccc4c(c3)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c3cc(*)ccc3-4)ccc1-2,37.51200969,,,,
+927050868,*CCCCCOC(=O)c1ccc(C=Cc2ccc(C(=O)O*)cc2)cc1,,0.35355098,,,
+927902684,*CC(*)(C)C(=O)OCC1(C)COCOC1,,0.34420519,0.1305,1.010012446,10.74845321
+928008419,*c1cc(-c2sc(-c3cc(CCCCCCC)c(*)s3)cc2CCCCCCC)c2cccccc1-2,,0.44541284,,,
+928940604,*Nc1ccc(N*)c(-c2cccc3ccccc23)c1-c1cccc2ccccc12,,0.36200233,,,
+929171141,*Nc1ccc2c(-c3ccccc3C)c3ccccc3c(-c3ccccc3C)c2c1N*,,0.36841027,,,
+929535825,*Nc1ccccc1-c1c(N)ccc2cc3c(-c4ccccc4N)c(N*)ccc3cc12,,0.35412155,,,
+930553513,*Nc1cccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(-c4cccc(N*)c4)ccc2-3)c1,,0.36800418,,,
+930567238,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5c(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc(C(C)(C)C)cc5C(C)(C)C)cc4C3=O)cc2)cc1,,0.39862825,,,
+930831236,*Nc1ccc(NC(=O)c2cc(-c3ccc(C(=O)O)c(C(*)=O)c3)ccc2C(=O)O)cc1,,0.31148404,,,
+931370343,*CC(*)c1ccc(-c2c3ccccc3cc3ccccc23)cc1,,0.37620542,,,
+931521712,*NC1=CC=C2C=CC=C[C@H]2[C@@H]1c1c(N*)ccc2ccccc12,,0.34641044,,,
+931723898,*Nc1ccc(C(c2ccccc2)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.37211398,,,
+931906273,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(-c5ccc(-c6ccc(S(=O)(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.37649648,,,
+932177649,*C(=O)Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4cccc(N6C(=O)c7ccc(*)cc7C6=O)c4)C5=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.37103025,,,
+932213408,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCSCCCCC(=O)O*,,,0.322,0.926144559,18.71887364
+932596908,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccc(S(=O)(=O)c6ccccc6)cc5)cc4)cc3)cc2)cc1,,0.37755482,,,
+933005938,*CC(COc1ccc(O*)cc1)OC(C)=O,,0.33587551,,,
+933916766,*/C=C/*,59.5588378,,0.394,0.775000418,34.672905605
+934242824,*CNC(=O)OCCOC(=O)NCc1ccc(C(C)(C)c2ccc(*)o2)o1,,0.33830674,,,
+934350191,*c1cccc(S(=O)(=O)NCCCNS(*)(=O)=O)c1,,0.33288923,,,
+934378848,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.33698124,,,
+934720972,*Nc1cc2cc3c4cc5ccccc5cc4c4cc5ccccc5cc4c3cc2c(N)c1N*,,0.34084911,,,
+934750353,*Nc1ccc(C(C)(c2ccccc2)c2ccc(N*)cc2)cc1,,0.35460063,,,
+935609923,*CC(*)(C)c1ccc2ccccc2n1,,0.38344332,,,
+935627680,*CC(*)c1ccc(C(=O)c2ccccc2)cc1,,0.37525609,,,
+935941337,*CCCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,,,0.331,,
+935965318,*NCCCCCCCN*,,0.33180826,,,
+935976337,*c1ccc2c(c1)C(=O)N(c1cc(C(=O)O)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,0.37985486,,,
+936348759,*CC(*)C(=O)OCC(F)(F)C(F)C(F)(F)F,,0.32043251,,,
+936419032,*Oc1ccc(OC(=O)c2ccc(OCCOc3ccc(C(*)=O)cc3)cc2)cc1C,68.01369706,,,,
+936563267,*C(=O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Cc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.37592453,,,
+937218293,*CC(*)OC(=O)C1CCCC1,,0.36011903,,,
+937233675,*Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,,0.36891791,,,
+937312139,*CCC1CC(OC(=O)CCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1*,,0.36926813,,,
+937429768,*C(=O)Nc1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4cc(C(F)(F)F)cc(N6C(=O)c7ccc(*)cc7C6=O)c4Oc4ccc(C(F)(F)F)cc4)C5=O)cc3)ccc3ccccc23)cc1,,0.37258957,,,
+937600317,*O[Si](*)(C)CCCCCOc1ccc(/C=C/c2ccc(OC)cc2)cc1,,0.36872385,,,
+938001500,*Nc1ccc(C2=C(c3ccc(N*)cc3)[C@](C)(C(C)C)[C@@](C)(C(C)C)C(C)=C2C)cc1,,0.3722569,,,
+938126554,*CC/C=C(/*)C(C)(C)C,,,0.20825,0.831876241,13.577310245
+938471508,*CCCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34497827,,,
+938632884,*Nc1ccc(C)c(-c2c(C)ccc(N*)c2C)c1C,,0.36618089,,,
+938927224,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7c(C)cc(Cc8cc(C)c(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)c(C)c8)cc7C)cc6C5=O)cc4)cc3)cc2)cc1,,0.38112345,,,
+939175685,*CC(*)C(=O)OC(CC)CC,,,0.213,0.928441574,12.41393583
+939569581,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)C(=O)Nc4cccc(O*)c4)c3)cc2)cc1,,0.33163835,,,
+940363363,*c1ccc(Cc2ccc(N3C(=O)c4cc(-c5ccc(C(C)(C)C)cc5)c(-c5cc6c(cc5-c5ccc(C(C)(C)C)cc5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.41910129,,,
+940574386,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OC(C)C)cc1,,0.34201016,,,
+940977758,*c1ccc(Oc2ccc(-c3cc(-c4ccccc4)c4cc(C5(c6ccc7nc(*)cc(-c8ccccc8)c7c6)c6ccccc6-c6ccccc65)ccc4n3)cc2)cc1,,0.42211202,,,
+941025862,*C(=O)Nc1ccc2c(c1)-c1cc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(P(=O)(c5ccccc5)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)c3)C4=O)ccc1C2,,0.36796455,,,
+941113349,*Nc1ccc2ccc3c(N*)c(-c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4)cc4ccc1c2c43,,0.36666503,,,
+941524634,*CC(*)(C)C(=O)OCc1ccsc1,,0.35367667,,,
+941929262,*Oc1ccc(Oc2ccc(C(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.3613444,,,
+942234134,*Oc1ccc(C(c2ccc(OP3(Oc4ccc(C(=O)OC)cc4)=NP(Oc4ccc(C(=O)OC)cc4)(Oc4ccc(C(=O)OC)cc4)=NP(*)(Oc4ccc(C(=O)OC)cc4)=N3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.34107289,,,
+942714544,*Nc1c(-c2ccccc2)cc(-c2ccccc2)cc1C1(c2cc(-c3ccccc3)cc(-c3ccccc3)c2N*)c2ccccc2-c2ccccc21,,0.3863404,,,
+942731516,*Nc1ccccc1CCc1ccc(NC(=O)Nc2ccc(CCc3ccc(NC(*)=O)cc3)cc2)cc1,,0.35341699,,,
+942798505,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCCOCCOCC)cc1,,0.33608462,,,
+943239154,*Oc1cccc(NC(=O)CCCCCCC(=O)Nc2ccc(*)cc2)c1,,0.34067938,,,
+943356153,*OC(=O)C(C)NC(=O)CCCCCCCC(=O)NC(C)C(=O)OC1COC2C(*)COC12,,0.33413155,,,
+943955993,*c1cc(*)c(O)c(/C=N/c2ccc(Cl)cc2)c1,,,0.141,1.17680677,13.61558599
+944555071,*CCCCOc1ccc(OCCCCc2nnc(-c3ccc(-c4nnc(*)o4)cc3)o2)c(C)c1,,0.36004783,,,
+945028672,*c1cccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)c1,,0.42889461,,,
+945057179,*c1ccc(Oc2c(C)cc(C(c3cc(C)c(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)c(C)c3)c3cccc4ccccc34)cc2C)cc1,,0.39971724,,,
+945096755,*c1ccc(Sc2cc3c(cc2Sc2ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc2)C(=O)N(CCc2ccccc2)C3=O)cc1,,0.37134878,,,
+945247998,*C1C(=O)OC(=O)C1C1C2CC(COCCC)C(C2)C1*,,0.3385676,,,
+945652954,*CC(*)C(=O)OC(Cl)C(Cl)(Cl)Cl,,0.36754584,,,
+945771244,*N=P(*)(N1CCCCC1)N1CCCCC1,,0.4443714,,,
+945861213,*Oc1ccc(Oc2cccc(C(=O)Oc3ccc(OC(=O)c4cccc(*)c4)cc3)c2)cc1,,0.35315362,,,
+946366980,*CC(*)C(=O)OCCO,,0.30069281,,,
+946712155,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(OC(=O)C=Cc4ccccc4)c3)cc1OC(=O)C=Cc1ccccc1)C2=O,,0.36819149,,,
+946893976,*Nc1cc(NC(=O)c2cccc(C(*)=O)c2)cc(C(=O)Oc2ccc(Oc3ccc(C#N)c(C#N)c3)cc2)c1,,0.34874023,,,
+947147165,*N/N=C(\N*)c1nc2c(N)nc(-c3ccccc3)nc2nc1N,,0.35087811,,,
+947769028,*Oc1ccc(C2(c3ccc(Oc4ccc(C=NN=Cc5ccc(*)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.39319174,,,
+948546936,*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5C)c(C)c3)C4=O)cc2)cc1,,0.36840705,,,
+948650769,*c1ccc(C(=O)NCCNC(=O)c2ccc(S(*)(=O)=O)cc2)cc1,205.0712987,,,,
+948765285,*CC(*)(C)C(=O)Oc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.37332413,,,
+948991314,*C(F)(F)C1(F)C(F)(F)C(*)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,,0.31519849,,,
+949058568,*Nc1cc2c(cc1N*)C(CCCCCC)(CCCCCC)c1cc(N)c(N)cc1-2,,0.35765063,,,
+949058569,*CC(CC)O*,,0.38603228,,,
+949132343,*OC(CC)CC(*)=O,,0.34556434,,,
+949159115,*Nc1cccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2cccc(C)c2)c1N*,,0.36795124,,,
+949343034,*C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6cccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)c6C#N)cc4)C5=O)cc3)c2)cc1,,0.35717581,,,
+949719355,*OP(=O)(Oc1ccc(Br)cc1)Oc1c(Br)cc(C(c2cc(Br)c(*)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br,,0.39848019,,,
+949756192,*NNC(=O)c1ccc(NC(=O)c2cc(C(*)=O)cc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)cc1,133.1528291,,,,
+949789711,*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36424024,,,
+950036559,*N=Nc1ccc(*)cc1,144.6951233,,,,
+950252228,*Oc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC(*)=O)c(Br)c2)cc1Br,,0.41564538,,,
+950647553,*CC(*)c1ccc(CCC)cc1,,0.40348963,0.2345,0.892912233,13.03650471
+950692936,*c1cccc(S(=O)(=O)NCCCCCNS(*)(=O)=O)c1,,0.34341367,,,
+950984280,*c1ccc(OCCOc2ccc(C=Cc3ccc([N+](=O)[O-])cc3)c(OCCOc3ccc(-c4nc5ccc(Oc6ccc7nc(*)c(-c8ccccc8)nc7c6)cc5nc4-c4ccccc4)cc3)c2)cc1,,0.37078887,,,
+951030953,*c1ccc(Cc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C(C)(C)C)c2)cc1C(C)(C)C,,0.4120274,,,
+951186365,*C(=O)OCCCSCCCCSCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.35877417,,,
+951464832,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34769384,,,
+951628759,*CCOCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,,0.36953742,0.3485,0.948193246,23.57437713
+951639938,*CC(c1ccccc1)C1C(=O)NC(=O)C1*,,0.33021579,,,
+951662507,*Nc1ccc(C(C#N)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.35848755,,,
+951933381,*C=CC1CC(*)C2C(=O)N(CCCCCCCCCCCC)C(=O)C12,,0.3769725,,,
+951940704,*c1ccc(-c2nc3cc(S(=O)(=O)c4ccc5nc(*)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)cc1,,0.43534029,,,
+952029062,*C(=O)Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c(NC(=O)c2ccc3c(c2)C(=O)N(c2c(C)cc(-c4cc(C)c(N5C(=O)c6ccc(*)cc6C5=O)c(C)c4)cc2C)C3=O)c1,,0.37389366,,,
+952776097,*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)c(C)c5)cc3C)C4=O)cc2)cc1,87.17702398,,,,
+952804603,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1c(C)cc(-c2cc(C)c(*)c(C)c2)cc1C,,0.39230829,,,
+952898097,*CC(=O)Nc1cccc(NC(=O)COc2ccc3ccccc3c2Sc2c(O*)ccc3ccccc23)c1,,0.33988537,,,
+953208758,*Nc1ccc(/C=C/c2c(-c3ccc4ccccc4c3)c(-c3ccc4ccccc4c3)c(N*)c(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)cc1,,0.36715532,,,
+953356077,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1CBr,98.31320425,,,,
+953833723,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3C=C)c2-c2ccc(-c3ccccc3)cc2)cc1,,0.36143904,,,
+954090484,*C(C)=C(*)[Si](C)(C)C,,0.39006159,,,
+954258008,*CCCCCCN(CC(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(*)CC(F)(F)C(F)(F)F,,0.33102861,,,
+954755494,*CCCCOC(=O)NCCSCCCCCSCCNC(=O)O*,3.000872148,,,,
+954781354,*Nc1cc(N)c(-c2cccc3cc4ccc5cc6cc7ccccc7cc6cc5c4cc23)c(N*)c1,,0.34724713,,,
+954804864,*CC(CCl)(CCl)COC(=O)c1ccc(C(=O)O*)cc1,11.46555203,,,,
+954903716,*C(=O)OCCCCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.3516794,,,
+955200653,*Oc1cccc(OC(=O)CCC(*)=O)c1,,0.32498132,,,
+955951687,*Nc1ccc2c3cccc4c(N*)ccc(c5cccc1c52)c43,,0.33296652,,,
+956184132,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)CC(=O)N(*)C4=S)cc3)cc2)cc1,,0.37482752,,,
+956462664,*Oc1ccc(NC(=C(C#N)C#N)c2ccc(-c3ccc(-c4ccc(C(Nc5ccc(*)cc5)=C(C#N)C#N)cc4)cc3)cc2)cc1,,0.39506825,,,
+956860993,*CC(COc1ccc(C)cc1)O*,-55.31696784,,,,
+957017762,*C1C(=O)N(c2ccc(C)cc2)C(=O)C1*,,,0.1405,0.95394828,12.83180759
+957944731,*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)OCc5ccccc54)cc3)cc2)cc1,,0.36114179,,,
+958448882,*CCCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,0.36234593,,,
+958708723,*CC(*)(C)C(=O)OC1CCOCC1,,0.34938977,,,
+958992897,*CCOc1ccc(C=C2CCC(=Cc3ccc(OCCOP(=O)(O*)OC)c(OC)c3)C2=O)cc1OC,,0.34158729,,,
+959078750,*CCCCCC(*)CCCC,,0.4045687,,,
+959788863,*CC(*)(C)C(=O)OCCCCC1CCCCC1,,0.36717544,,,
+960238804,*CCN(CCOC(=O)c1cc(OCCC2CCN(c3ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)CC2)cc(C(=O)O*)c1)c1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.34501773,,,
+960557401,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(-c6cccc7c6C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.37743403,,,
+960896880,*Nc1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(C(*)=O)cc3)cc2)cc1C(=O)OCCCCCCCCCCCCCCCC,,0.357945,,,
+961207214,*CCCCCCCCCCOc1cccc(OC(=O)c2ccc(C(=O)Oc3cccc(O*)c3)cc2)c1,20.92794041,,,,
+961272139,*Nc1ccc(C2=C(c3ccccc3)/C(=C/c3ccccc3)[C@@H](N*)/C(=C/c3ccccc3)C2)cc1,,0.38000782,,,
+961432489,*NNC(=O)C=CC(=O)Nc1cccc(C=C2CCC(=Cc3cccc(NC(=O)C=CC(*)=O)c3)C2=O)c1,,0.3318831,,,
+961504352,*O[Si](C)(C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.43360758,,,
+961636865,*OP(=O)(Oc1c(Cl)c(Cl)c(*)c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,0.36344351,,,
+961938708,*OC(=O)NC1CCC(CC2CCC(NC(=O)OC3CC4CC(*)CC(C3)O4)CC2)CC1,,0.35624612,,,
+961980503,*CC(*)(C)C(=O)OCCC#N,,0.35439971,0.138,1.036075809,14.2239278
+962173929,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(C)(C)c3cccc(C(C)(C)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)c3)cc1)C2=O,,0.38044047,,,
+962326024,*C=Cc1ccc2c(c1)C(CC(CC)CCCC)(CC(CC)CCCC)c1cc(*)ccc1-2,,0.40667606,,,
+962879741,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3Br)c(Br)c1)C2=O,,0.40438149,,,
+962995886,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCCOCCOCC)cc1,,0.33730096,,,
+963631367,*Nc1ccc(-c2cc(C=C)c(N*)c(-c3ccccc3)c2-c2ccc(-c3ccccc3)cc2)cc1,,0.3632724,,,
+963881444,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)CCCCCC(*)=O,,0.32881448,,,
+963896306,*CCN(CCCCCCOc1ccc(N=Nc2ccccc2)cc1)CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1,,0.35226534,,,
+963961682,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3ccc(N)cc32)cc1,,0.36566131,,,
+965296987,*C(C)C(*)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,,0.39846139,,,
+965501269,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,,0.36576682,,,
+965594112,*CC(*)c1ccc(C(=O)C(F)(F)F)cc1,,0.3627692,,,
+965608760,*Oc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(*)cc2)cc1,,0.33920775,,,
+966245387,*c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(S(*)(=O)=O)cc3)c2)cc1,,0.34764197,,,
+966864975,*c1ccc(-c2nc3cc(-c4ccc5[nH]c(*)nc5c4)ccc3[nH]2)cc1,423.6341908,,,,
+966953045,*CC(*)c1cc(C(=O)Oc2ccc(OCCCCCCCCCCCCCCCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCCCCCCCCCCCCCCCC)cc1,,0.39477312,,,
+967532674,*CC(*)OCC,,,0.2465,0.912688006,15.66973123
+967548475,*Nc1ccc(-c2cc(C/C=C/c3ccccc3)c(N*)c(C/C=C/c3ccccc3)c2-c2ccccc2)cc1,,0.36169428,,,
+967673328,*Nc1ccc(-c2c(N*)ccc(-c3ccccc3)c2-c2ccccc2)cc1,,0.35943481,,,
+967943450,*Nc1ccc2c(ccc3c4ccccc4ccc23)c1N*,,0.33046619,,,
+967962139,*CCCCCC(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.33858806,,,
+967963503,*C1C(=O)OC(=O)C1C1C2CC(C(=O)OC3CCCCC3)C(C2)C1*,,0.34535226,,,
+968134863,*Nc1ccc([C@H](CCCC)c2ccc(CC(C)Cc3ccc([C@@H](CCCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36829564,,,
+968431878,*Oc1ccc(NC(=O)c2cc(NC(=O)c3ccncc3)cc(C(=O)Nc3ccc(*)cc3)c2)cc1,,0.33905768,,,
+968537124,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1C1CC2CCC1C2,,0.3689794,,,
+968666725,*c1cc(C(=O)OCCCCCC)cc(N2C(=O)CC(C3Cc4ccccc4C4C(=O)N(*)C(=O)C43)C2=O)c1,,0.35771333,,,
+968949443,*c1ccc2c(c1)nc1c3cc4c(=O)n5c6cc(*)ccc6nc5c4cc3c(=O)n21,384.637936,,,,
+969077485,*Cc1cc(CNC(=O)c2cccc(C(=O)N*)c2)cc(C(C)(C)C)c1,,0.35193217,,,
+969180408,*CC(*)S(=O)(=O)c1ccccc1,,0.3645261,,,
+969338627,*C1CCCC(S(*)(=O)=O)C1,,0.35779851,,,
+970030032,*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.3287593,,,
+970285384,*CCN(*)C(=O)c1cc(F)c(F)c(F)c1F,,0.33523927,,,
+970455714,*CCCCOc1cccc(C(=O)OC(=O)c2cccc(O*)c2)c1,,0.33788415,,,
+970503486,*Nc1cccc(NC(=O)c2cc(NC(=O)c3ccncc3)cc(C(*)=O)c2)c1,,0.32910892,,,
+971170976,*Oc1ccccc1-c1ccccc1Oc1ccc2c(=O)n3c4cc(-c5ccc6c(c5)nc5c7ccc(*)c8cccc(c(=O)n65)c87)ccc4nc3c3cccc1c23,,0.3792992,,,
+972068859,*CCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC(=O)OCCCCCCN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.36103038,,,
+972337368,*CC(*)(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc(OCCCC)cc2)cc1,,0.36838691,,,
+972362080,*CC(*)OCCOCCOCCOC,,0.35815042,,,
+972393663,*Nc1ccc(C2(c3ccc(N*)cc3)Cc3ccccc3C2)cc1,,0.35273195,,,
+972435079,*CCOCCOCCOCCOC(=O)C=CC(=O)NCCCCCCNC(=O)C=CC(=O)O*,,0.32877992,,,
+972454148,*Nc1cc2c3cccc4cccc(c5cccc(c1N*)c52)c43,,0.32584641,,,
+972522646,*c1ccc(OC(=O)Oc2ccc(C3(*)OC(=O)c4ccccc43)cc2)cc1,,0.35641972,,,
+972638379,*c1ccc2c(c1)C(=O)N(c1ccc(C(C)(C)c3ccc(C(C)(C)c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc1)C2=O,,0.39659641,,,
+972642110,*Nc1ccc2ccc3c(N*)c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc4ccc1c2c43,,0.36945993,,,
+972695180,*CC(C)(CC)CS*,,0.39492528,,,
+972818761,*Cc1ccccc1[Si](*)(C)C,,0.37867068,,,
+973091046,*CCCCCCCCCCCCNC(=O)C(=O)N*,,,0.309,,
+973188497,*c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(OC(C)=O)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1OC(C)=O)C2=O,,0.3749767,,,
+973722160,*NC1=C(N)[C@@H](N*)NC(=O)N1,,0.28374372,,,
+974102332,*CC(*)C(=O)Nc1cccc(Cl)c1,,0.34957383,,,
+974171598,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,,,0.276,,
+974543233,*C1C(=O)N(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)C1*,,0.42394222,,,
+974608076,*Oc1c(-c2ccccc2)cc(*)cc1-c1cccc(-c2ccccc2)c1-c1ccccc1,,0.40445891,,,
+974829630,*NCCCCCCCCCCCCN*,,0.34669796,,,
+974951002,*CC(CC)C(CC)COC(=O)c1ccc(C(=O)O*)cc1,,0.35322539,,,
+974977615,*CCCCCC(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)CCCCC2)cc1,,0.35101165,,,
+975186441,*C(=O)OCCOC(=O)C=Cc1cccc(N2C(=O)c3ccc(*)cc3C2=O)c1,,0.33326323,,,
+975316837,*CCCCC=CCCCCC1CC(CCC2CC(*)OC2=O)C(=O)O1,,0.35075006,,,
+975372229,*SC(=O)OCCCCOC(=O)SN1CC(C)N(*)CC1C,-30.512105,,,,
+975391754,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCC)cc1,,0.33368013,,,
+975529928,*Nc1ccc2c(c1)[C@@H]1c3ccc(N*)cc3[C@H]2c2c(N)cccc21,,0.38124543,,,
+975679689,*NC(CCC(=O)Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(*)=O,,0.36156406,,,
+975874706,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(OC(=O)c2ccc(OC)c(Br)c2)cc1,,0.3611176,,,
+975942451,*Nc1nc2c(c(=O)n1N*)Cc1nc(N)n(N)c(=O)c1C2,,0.34327027,,,
+977134165,*C(=O)c1ccc2c(c1)C(=O)N(C1CCC(CC3CCC(N4C(=O)c5ccc(*)cc5C4=O)CC3)CC1)C2=O,,0.36459442,,,
+977446169,*CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)O*,,,0.297,,
+977496062,*Oc1cccc(Oc2ccc(C(=O)c3ccc(NC(=O)CCCCCCCCC(=O)Nc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)c1,,0.35461809,,,
+977560848,*Nc1ccc(/C(=C(\c2ccccc2)c2ccc(N*)cc2)c2ccccc2)cc1,,0.374407055,,,
+977724395,*CC(*)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1,,0.35501894,0.2245,1.095853414,13.394951
+977861855,*Nc1ccccc1CCc1ccc(NC(=O)NCCCCCCNC(*)=O)cc1,,0.3465376,,,
+978144128,*CNC(=O)OCC(OC(=O)NCc1ccc(*)o1)c1ccco1,,0.32715503,,,
+978251240,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(O)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.36289032,,,
+978860750,*Nc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(N*)c(C)c3)c2)cc1C,,0.3642123,,,
+979011291,*CCCCCCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,0.3642299,,,
+979179304,*CCOC(=O)NCC1(C)CC(NC(=O)O*)CC(C)(C)C1,,0.33606063,,,
+979211683,*CC(*)c1ccc(C(=O)OCC)cc1,,0.36916022,,,
+979410672,*CC(*)N1CCCC1=S,,0.39052842,,,
+979464287,*c1ccc2c(c1)C(=O)N(c1cccc(Oc3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.3736609,,,
+979533481,*CCCCCCCCCCNC(=N*)c1ccccc1,,0.3881679,,,
+979588845,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc(Oc3ccccc3)cc2)cc1,,0.34706136,,,
+980179181,*/C=C/C(C)(C)C(*)(C)C,,,,0.820729949,15.50648001
+980398576,*c1cccc(N2C(=O)c3cccc(Oc4cccc(Oc5cccc6c5C(=O)N(*)C6=O)c4)c3C2=O)c1,,0.35986815,,,
+980411522,*CC(CCCCCCCCCCCCCCCC)C1C(=O)N(CCCCCCCCCCCC)C(=O)C1*,,0.39088075,0.335,0.867649177,11.65178394
+980661216,*CC(*)(OC(C)=O)c1ccc(OC(=O)CC)cc1,2.162388076,,,,
+980673012,*c1ccc(*)c(C(=O)c2ccc(F)cc2)c1,,0.40977621,,,
+980966583,*C#Cc1cc(OC(COCCOCCOCCOC)COCCOCCOCCOC)c(C#Cc2cc(OCCOCCOCCOCCC(=O)O[Na])c(*)cc2OCCOCCOCCOCCC(=O)O[Na])cc1OC(COCCOCCOCCOC)COCCOCCOCCOC,-43.36051195,,,,
+981778956,*c1cc(CCOC(=O)C(C)Br)c(*)s1,,0.40626564,,,
+981880572,*CCCCCC(=O)Oc1ccc2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2c1,,0.3370471,,,
+982011392,*Oc1ccc(C(=Cc2cc(OC)c(C=C(c3ccc(*)cc3)c3ccc(F)cc3)cc2OC)c2ccc(F)cc2)cc1,,0.38359708,,,
+982052578,*CC(*)(CC(=O)OCC(C)C)C(=O)OCC(C)C,,0.38664522,,,
+982081375,*c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(N4C(=O)c5ccc(NC(=O)Nc6ccc(-c7cc(-c8ccc(-c9ccccc9)cc8)cc(-c8ccc(NC(=O)Nc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)n7)cc6)cc5C4=O)cc3)ccc3ccccc23)cc1,,0.36383462,,,
+982170716,*CCCCCCNC(=O)c1ccc(C(=O)N*)c(Sc2ccccc2)c1,,0.35031486,,,
+982392154,*CC(*)C=C(C)C,,,,0.779950443,12.78661329
+982448073,*CCCCCCOC(=O)C(=O)O*,,0.33558333,,,
+982641733,*CCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,0.33048829,,,
+982644871,*Nc1cccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(=O)NC(*)=S)cc2)c1,,0.34266836,,,
+982652113,*c1ccc(Oc2ccc(C(=O)c3ccc(Cc4ccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8ccccc8)[nH]c7*)cc6)cc5)cc4)cc3)cc2)cc1,,0.39839746,,,
+982823848,*Oc1c(OC)cc(*)cc1OC,,0.35493117,,,
+982899341,*Nc1cc2ccc3ccc(N*)c4ccc(c1)c2c34,,0.33737081,,,
+982900215,*Nc1ccc(-c2ccc(NC(=O)Cc3cc(CC(*)=O)c(C)cc3C)cc2)cc1,,0.33947658,,,
+982959217,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)C(c5ccccc5)=C(c5ccc(C6=C(c7ccccc7)C(=O)N(*)C6=O)cc5)C4=O)cc3)cc2)cc1,,0.37787317,,,
+983140270,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(P(C)(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37865073,,,
+983336786,*Nc1nc(CCC2OCC3(COC(CCc4nc(N)nc(N)n4)OC3)CO2)nc(N*)n1,,0.32807349,,,
+983359271,*Oc1ccc(C(c2ccc(OC3(F)C(*)(F)C(F)(F)C3(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.34987919,,,
+983408527,*CCCCCCOC(=O)OCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.34233697,,,
+983924337,*CCCCCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.35722894,,,
+984649058,*CCCCCCCCCCCCCCCCCCNC(=O)Cc1ccc(CC(=O)N*)cc1,,0.36969623,,,
+984722345,*C(=O)OCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.34843599,,,
+985031681,*C(=O)OCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.35686622,,,
+985113271,*CCOC(=O)Nc1ccc(CCCc2ccc(NC(=O)O*)cc2)cc1,,0.33911152,,,
+985128268,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cc8ccccc8cc7Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.36958426,,,
+985248291,*Nc1c(C)cc(C2(c3cc(C)c(N*)c(C)c3)c3ccccc3-c3ccccc32)cc1C,,0.39543139,,,
+985685560,*c1ccc(-c2nc3cc(-n4c(=O)c5cc6c(=O)n(*)c(=O)c6cc5c4=O)ccc3[nH]2)cc1,456.35,,,,
+985716101,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3cc(-c4ccc(OCCCC#N)cc4)cc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)n3)cc1)C2=O,,0.3862986,,,
+985931014,*CCCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.3520318,,,
+986199632,*OC(=O)C(C)NC(=O)CCCCC(=O)NC(C)C(=O)OC1COC2C(*)COC12,,0.32344295,,,
+986628745,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCC)cc1,,0.35082054,,,
+987143129,*CC(*)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,0.37010428,0.0849999999999999,1.469086914,15.64579264
+987280139,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5nc(-c6ccccc6)[nH]c5*)cc4)cc3)cc2)cc1,,0.39015986,,,
+988391543,*Nc1c(C)c(Cc2ccccc2)c(Cc2ccccc2)c(C(Cc2ccccc2)Cc2ccccc2)c1N*,,0.36124078,,,
+988399583,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.44221475,,,
+988455037,*c1ccc(C(=O)Oc2c(C)cc(C(c3cccnc3)c3cc(C)c(OC(=O)c4ccc(N5C(=O)CC(Nc6cccc(NC7CC(=O)N(*)C7=O)c6)C5=O)cc4)c(C)c3)cc2C)cc1,,0.3727379,,,
+988551958,*CCC(C)S*,,0.42340205,,,
+988557841,*c1ccc(Oc2ccc(-c3nc4ccc(-c5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)cc1,,0.46496815,,,
+989355394,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1ccc(OCCCCC)c(C(=O)O*)c1,,0.34033362,,,
+989396731,*CCCc1nc2cc(-c3ccc4[nH]c(*)nc4c3)ccc2[nH]1,,0.36451297,,,
+990486279,*c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1C)C2=O,,0.39717883,,,
+990726873,*Nc1cc(NC(=O)c2cc(OCCCN(C)c3ccc(N=Nc4ccc(S(C)(=O)=O)cc4)cc3)cc(C(*)=O)c2)cc(C(=O)OCCCN(C)c2ccc(N=Nc3ccc(S(C)(=O)=O)cc3)cc2)c1,,0.3639981,,,
+990755656,*NC1=C[C@@](O)(N*)N=C(N)N1,,0.29677001,,,
+990844091,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5)C6=O)cc4)cc3)cc2)cc1,,0.38038292,,,
+990921781,*CC(*)(C)C(=O)OCC(=O)N1CCCC1,,0.33084137,,,
+991150899,*OC(=O)OC1COC2C(*)COC12,,0.32110167,,,
+991486562,*CCC(C)C(*)C,,0.38748444,0.2329999999999999,,
+991497754,*Oc1ccc(-c2ccc(-c3ccc(Oc4ccc(C(C)(C)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.37801095,,,
+991575324,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.3668584,,,
+991645843,*Nc1cccc2c1[C@H]1c3ccccc3[C@@H]2c2cccc(N*)c21,,0.3714413,,,
+991677197,*CCCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,,,0.307,,
+991734116,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)C5CCC(C6CCC7C(=O)N(*)C(=O)C7C6)CC5C4=O)cc3)cc2)cc1,,0.36741646,,,
+991748625,*c1ccc(Oc2ccc(-c3nc4cc(S(=O)(=O)c5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,0.4167925,,,
+991749301,*CC(*)(C)C(=O)OCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.3553822,,,
+991912273,*c1ccc2c(c1)c1cc(-c3c4ccc(C=Cc5ccc(N(CCCCCC)CCCCCC)cc5)cc4c(*)c4ccc(C=Cc5ccc(N(CCCCCC)CCCCCC)cc5)cc34)ccc1n2CCCCCCCC,,0.39672462,,,
+992359277,*CC(*)(C)C(=O)OCCF,,,0.1679999999999999,1.091984203,14.10579773
+992375016,*CCCCOc1ccc(C(=O)OCCOC(=O)c2ccc(O*)cc2)cc1,,0.34108064,,,
+992491355,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.39495463,,,
+992696585,*CC(*)C(=O)N(CCCC)CCCC,,,0.211,0.875138172,10.87629214
+992902333,*/C=C/c1cc(OCC2CC3CC2C2CCCC32)c(*)cc1OCC1CC2CC1C1CCCC21,,,0.24,1.004037835,17.43472846
+993287384,*CCOC(=O)N(Cc1ccccc1)c1ccc(C)c(N(Cc2ccccc2)C(=O)O*)c1,,,,1.109114286,
+993495758,*c1cc2c(cc1C)-c1cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc1S2(=O)=O,,0.41132119,,,
+993642509,*CC(O)CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(C)CC(O)COc3ccc(O*)cc3)cc2)cc1,,0.33724691,,,
+994147149,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3CC)cc2)cc1,,0.36037645,,,
+994176414,*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc21,,0.38372241,,1.04019662,15.18496739
+994235992,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6ccc(C(=O)c7ccc(Oc8cccc9c8C(=O)N(*)C9=O)cc7)cc6)c5C4=O)cc3)c2)cc1,,0.36092418,,,
+994355655,*C(=O)c1ccc2c(c1)C(=O)N(c1c(CC)cc(Cc3cc(CC)c(N4C(=O)c5ccc(*)cc5C4=O)c(CC)c3)cc1CC)C2=O,,0.4118037,,,
+994657756,*CC(CC)S*,,0.42316146,,,
+995410408,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(OCCN(CC)c4ccc(C(C#N)=C(C#N)C#N)cc4)c3)cc1OCCN(CC)c1ccc(C(C#N)=C(C#N)C#N)cc1)C2=O,,0.37956411,,,
+995559885,*C(*)(F)Cl,,0.33776563,,,
+995697393,*OC(CC(*)=O)C(C)(Cl)Cl,,0.35072691,,,
+996300632,*Oc1ccc(Oc2ccc(NC(=O)c3cc(C(=O)Nc4ccc(*)cc4)cc(C(C)(C)C)c3)cc2)cc1,,0.36524897,,,
+996351908,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3cc(C(C)(C)C)c(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)c(C(C)(C)C)c3)cc1)C2=O,,0.41502916,,,
+996538100,*Oc1ccc(C(c2ccccc2)c2ccc(OC(*)=O)cc2C)c(C)c1,,0.37510529,,,
+997201189,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C(*)(c6ccccc6)C(F)(F)F)cc5C4=O)cc3C(F)(F)F)c(C(F)(F)F)c1)C2=O,,0.41024924,,,
+997252615,*CC(*)OC,,0.36080303,0.2614999999999999,0.965989074,16.476876
+997287969,*c1ccc(C(c2ccc(N3C(=O)c4ccc(OCCN(CCOc5ccc6c(c5)C(=O)N(*)C6=O)c5ccc(C=Cc6ccc([N+](=O)[O-])cc6)cc5)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35788304,,,
+997443668,*CO*,,,0.246,1.241962384,21.59688826
+997638129,*CC(*)C=O,,,0.2425,1.074977648,19.22062685
+998478267,*c1ccc2oc(-c3cccc(-c4nc5cc(C(*)(C(F)(F)F)C(F)(F)F)ccc5o4)c3)nc2c1,,0.42780861,,,
+998917125,*OC(CC(*)=O)C(Cl)Cl,110.2326669,,,,
+999068142,*c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(S(*)(=O)=O)cc4S(=O)(=O)O)cc3)cc2)c(S(=O)(=O)O)c1,,0.37255612,,,
+999116161,*C(=O)Nc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(NC(=O)Nc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc4)C5=O)cc3)n2)cc1,,0.35865584,,,
+999660395,*C(=O)NCCN(CCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.34863371,,,
+999723050,*CCOC(=O)C1C2C=CC(C2)C1C(=O)O*,,0.33382733,,,
+999774546,*c1ccc(OCCCCCCOc2ccc(C3C4C(=O)N(c5ccc(N6C(=O)C7ON(C)C(*)C7C6=O)cc5)C(=O)C4ON3C)cc2)cc1,,0.35427898,,,
+999910921,*CC(*)(C)C(=O)OC1CCC2CCCCC2C1,,0.37667899,,,
+1000606738,*CCCCCCCCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCCCCCCCOP(=O)(O*)OC)c(OC)c3)C2=O)cc1OC,,0.3684349,,,
+1000610070,*Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.34522858,,,
+1000940979,*c1ccc(Oc2ccc(N3C(=O)C(Cl)=C(Oc4ccc(C(c5ccc(OC6=C(Cl)C(=O)N(*)C6=O)cc5)(C(F)(F)F)C(F)(F)F)cc4)C3=O)cc2)cc1,,0.36044402,,,
+1001186326,*CCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.34666187,,,
+1001439258,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C(C)(C)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c2C#N)cc1,,0.37485348,,,
+1002053152,*CCCCCCOC(=O)OCCCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.34762282,,,
+1002421560,*OC(C)COC(=O)CCCCC(*)=O,-15.95518318,,,,
+1002611290,*c1ccc(Oc2ccc(N3C(=O)c4cccc(Oc5ccc(Oc6ccc(Oc7cccc8c7C(=O)N(*)C8=O)cc6)cc5)c4C3=O)cc2)cc1,,0.36415634,,,
+1003276848,*NC1=Cc2cccc3ccc(N*)c1c23,,0.33737221,,,
+1003322685,*CC(*)(C)C(=O)OC1(C)CCCN(c2ccc(N=Nc3ccc(C=C(C#N)S(C)(=O)=O)cc3)cc2)C1,,0.37311394,,,
+1003416473,*C(Cl)=C(*)c1ccccc1,,0.41584019,,,
+1003531277,*CC(*)C(=O)N1CC[N+](C)(CCCCCCCCCCCC)CC1,-81.38297384,,,,
+1003609082,*c1ccc(C#Cc2cc(OCCCCCCCC)c(C#Cc3ccc(-c4nnc(*)o4)cc3)cc2OCCCCCCCC)cc1,,0.44177748,,,
+1003747074,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)C5CCC(C6CCC7C(=O)N(*)C(=O)C7C6)CC5C4=O)cc3)c2)cc1,,0.36411353,,,
+1004036255,*c1ccc(Oc2ccc(N3C(=O)C4C5C=CC(C6C(=O)N(*)C(=O)C56)C4C3=O)cc2)cc1,,0.40046874,,,
+1004048009,*=C=C=C(CCCCOC(=O)NC(=O)OCCCC)C(=*)CCCCOC(=O)NC(=O)OCCCC,27.51087357,,,,
+1004172510,*CCCCCCCCNC(=O)CCP(C)(=O)CCC(=O)N*,,0.34556001,,,
+1005319308,*Nc1ccc2c(c1N*)C1(c3ccccc3-c3ccccc31)c1ccccc1-2,,0.37725763,,,
+1005375030,*O[Si](Oc1ccc(C2(c3ccc(*)cc3)c3ccccc3-c3ccccc32)cc1)(c1ccccc1)c1ccccc1,,0.41378255,,,
+1006229444,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6cc(Oc7ccc8c(c7)C(=O)N(*)C8=O)ccc6c5)cc4C3=O)cc2)cc1,,0.368655,,,
+1006972816,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3cc(C)ccc32)cc1,,0.37206432,,,
+1007721072,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.35428669,,,
+1007994898,*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(-c3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O,,0.41642982,,,
+1008054582,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc4c(=O)n5c6cc(Oc7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.37350253,,,
+1008455726,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C8(c9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9)CCC(C(C)(C)C)CC8)cc7)cc6C5=O)cc4)cc3C)c(C)c2)cc1,,0.38855303,,,
+1009402745,*c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c1)C2=O,,0.39081756,,,
+1010071702,*Nc1ccc(-c2ccc(N*)cc2CCCCCCc2cc(N)ccc2-c2ccc(N)cc2)cc1,,0.34872521,,,
+1011327767,*NNc1ccc(-c2ccc(NN*)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.37163024,,,
+1011731362,*c1ccc([Si](CCCC)(CCCC)[Si](*)(CCCC)CCCC)s1,,0.44335751,,,
+1011779904,*CC(CC(Cl)(Cl)Cl)O*,,0.37859237,,,
+1011876528,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(C)c2)cc1C,,0.37553512,,,
+1011928148,*CC(*)(C)C(=O)OCC1(C)COC(C)(C)OC1,,0.35893262,0.1525,0.956557271,11.46248639
+1011964069,*Nc1ccc(C2(c3ccc(N*)c(C)c3C)c3ccccc3-c3ccccc32)c(C)c1C,,0.37955034,,,
+1012063352,*C=Cc1nc(C=Cc2ccc3c(c2)c2cc(*)ccc2n3CCCCCC)c(C#N)c(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1C#N,,0.40041543,,,
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+1012389657,*CCOc1cccc(C(=O)OC(=O)c2cccc(O*)c2)c1,3.697542049,,,,
+1012615960,*C1CCC(CC2CCC(N3C(=O)C4C5C=CC(C6C(=O)N(*)C(=O)C56)C4C3=O)CC2)CC1,,0.37857284,,,
+1012673977,*c1nc(-c2ccccc2)nc(N(C)CCCCCCN(*)C)n1,,0.39607619,,,
+1012813731,*CC(*)c1ccc(C(=O)c2ccc(OC)cc2)cc1,,0.35659947,,,
+1013332010,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5ncc(*)o5)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.40096044,,,
+1013677154,*Oc1ccc(C(=O)OC(C)COC(C)COC(C)COC(=O)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.34810342,,,
+1013955085,*NCCN(C)CCN*,,0.3165625749999999,,,
+1014178298,*c1ccc(C(=O)OCCCCCCCCOC(=O)c2ccc(-c3nnc(*)s3)cc2)cc1,,0.36108206,,,
+1014358426,*c1ccc2c(c1)Sc1cc(-c3ccc(-c4ccc(*)s4)s3)ccc1N2CCCCCCCCCCCC,,0.45700932,,,
+1015002552,*CCCCCCCCCCOc1ccc(OC(=O)c2ccc(OCCOCCOCCOc3ccc(C(=O)Oc4ccc(O*)cc4)cc3)cc2)cc1,,0.34939934,,,
+1015530423,*CC(*)(F)C(=O)OCC(F)(F)C(F)F,,0.31321391,,,
+1015804720,*Nc1ccc2cc3cc4ccccc4cc3cc2c1N*,,0.34122991,,,
+1015995822,*c1ccc(S(*)(=O)=O)cc1,,0.37182941,,,
+1016001230,*N=P(*)(N(C)C)N(C)C,,0.38583819,,,
+1016053436,*CC1CC(COC(=O)c2ccc(C(=O)O*)cc2)CC(C(C)(C)C)C1,,0.36365524,,,
+1016427513,*CC(O)CN(C)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(C)CC(O)COc3ccc(C(C)(C)c4ccc(O*)cc4)cc3)cc2)cc1,,0.34670882,,,
+1016483191,*c1cccc(N2C(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1,,0.36206097,,,
+1016549467,*Nc1nc(CCn2ccnc2CCCCCCCCCCC)nc(N*)n1,,0.3488479,,,
+1016554396,*Nc1ccc2c(c1)cc(-c1ccccc1)c1cc(N*)ccc12,,0.34652388,,,
+1016682022,*CC(*)c1ccccn1,,,0.196,0.996326132,14.84520894
+1017422838,*Nc1cccc(-c2cccc(N*)c2-c2cccc3ccc4cc5ccccc5cc4c23)c1-c1cccc2ccc3cc4ccccc4cc3c12,,0.36507338,,,
+1017533864,*CC(*)c1ccc(C(=O)OC(C)C)cc1,,0.37933569,,,
+1017786656,*Nc1ccc(Cc2ccccc2C(c2ccccc2Cc2ccc(N)cc2)c2ccccc2Cc2ccc(N*)cc2)cc1,,0.36342323,,,
+1017876939,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5c(C(=O)c6ccc(*)cc6)c(-c6ccc(F)cc6)c(-c6ccc(F)cc6)c(-c6ccc(F)cc6)c5-c5ccc(F)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.40790835,,,
+1017988364,*CCCCCCCCCOC(=O)NCCCCCCNC(=O)O*,,0.35605283,,,
+1018289608,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(-c6cccc7c6C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1,,0.35957648,,,
+1018372810,*Nc1ccc(CC(Cc2ccc(N)cc2)Cc2ccc(N*)cc2)cc1,,0.34584685,,,
+1018492887,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc(C(*)=O)cc8)cc7)CCC(C(C)(C)C)CC6)cc5)cc4)cc3)CCCCCCCCCCC2)cc1,,0.38180644,,,
+1018993474,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(Oc4ccc(-c5ccc(Oc6ccc(NC(=O)c7cccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)c7)cc6)cc5)cc4)cc3)c1)C2=O,,0.36515817,,,
+1019146699,*CNC(=O)CCCCCCCCC(=O)NCC1COC(*)CO1,,0.33667776,,,
+1019302045,*C(=O)c1cc(C(=O)c2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc(C(C)(C)C)c1,,0.37683798,,,
+1019871749,*NC[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccc(N*)cc1)(C3)C2,,0.34037658,,,
+1020201493,*CC(*)C(=O)OCCCSCCC#N,,0.38516817,0.219,1.082808936,12.13020166
+1020575007,*Nc1ccc(-c2ccc(N*)c(CC=C)c2CC=C)c(CC=C)c1CC=C,,0.35962472,,,
+1021238306,*NNC(=O)c1ccc(C(*)=O)cc1OCCCCCCCC,,0.3601387,,,
+1021483975,*c1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8cccc(-c9nc(*)c(-c%10ccccc%10)[nH]9)c8)[nH]c7-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.39957908,,,
+1022466130,*CCOC(=O)Nc1ccc(CCc2ccc(NC(=O)O*)cc2)cc1,,0.33796445,,,
+1022768745,*CCCCCCCNC(=S)N*,,0.37564095,,,
+1022782104,*c1ccc2oc(-c3ccc(Oc4ccc(-c5nc6cc(C(*)(c7ccccc7)C(F)(F)F)ccc6o5)cc4)cc3)nc2c1,,0.41979595,,,
+1022909256,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4cccc5c(N6C(=O)c7ccc(*)cc7C6=O)cccc45)cc2)C3=O)cc1,,0.36136438,,,
+1022982762,*C1CCC(CC2CCC(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)C(C)C2)CC1C,,0.37118198,,,
+1023161233,*CC(*)(C)C(=O)OC1CC2CC1C1C3CCC(C3)C21,,0.37657118,,,
+1023305390,*NNC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cn2)C3=O)cc(C(=O)NNC(=O)C(*)=O)c1,,0.33035557,,,
+1024068572,*CC(*)c1ccc(C(=O)CCCCCCC)cc1,,0.39176934,0.2663333333333333,,
+1024345756,*CC(CO*)(CSCCCCC)CSCCCCC,,0.4182603,,,
+1024792036,*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(*)=O)cc21,,0.39692149,,1.005045691,12.92707658
+1025306032,*CC1CCC(COC(=O)c2ccc(C(=O)O*)cc2)CC1,,0.35960828,,,
+1025433212,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2N)c(N)c1,,0.37039035,,,
+1025691953,*Oc1cccc(Oc2ccc(C(=O)O)c(C(=O)Nc3ccc(Oc4ccc(-c5ccc(Oc6ccc(NC(=O)c7cc(*)ccc7C(=O)O)cc6)cc5)cc4)cc3)c2)c1,,0.34519508,,,
+1025699725,*CCCCCCSCCS*,,,0.234,,
+1026017017,*CC(*)C(=O)Oc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.3750338,,,
+1026090267,*CCCCCCNC(=O)CC(=O)N*,,0.32199305,,,
+1026468393,*CC(*)(C)C(=O)OCC(C)Oc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1,,0.35257191,,,
+1026585512,*Nc1ccc(CCNC(=O)CCCCC(*)=O)cc1,,0.33119767,,,
+1026999069,*N/N=N\c1ccc2ccccc2c1-c1c(NN*)ccc2ccccc12,,0.35871072,,,
+1027170347,*Oc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.3645491,,,
+1027277278,*C=Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(C=Cc3nc(*)c(C#N)c(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)c3C#N)ccc1-2,,0.40662582,,,
+1027526557,*Oc1cc(OCCOC)c(OC(=O)c2ccc(C(*)=O)cc2OCCOCC)cc1OCCOC,,0.34810915,,,
+1027925897,*CCOCCOCCOC(=O)CCSCCC(=O)O*,,0.34274002,,,
+1028383994,*COc1ccc(C(C)(C)c2ccc(Oc3ccc(*)n3-c3ccc([N+](=O)[O-])cc3)cc2)cc1,,0.35710014,,,
+1028416033,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCC(*)C,,0.43005336,,,
+1028677935,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c4)cc3)cc1)C2=O,,0.37383074,,,
+1028942320,*CCCCCC(Cl)C(*)Cl,,0.3900218,,,
+1029035301,*Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(F)c2F)c(F)c1F,,0.36997043,,,
+1029595953,*CCCCCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,64.73496741,,,,
+1030451978,*Nc1ccc([C@]23C[C@@H]4[C@H]5C[C@]6(c7ccc(N*)cc7)C[C@H]([C@H]5C2)[C@H](C3)[C@H]4C6)cc1,,0.3645152,,,
+1031120219,*CC(COC(C)(C)C)O*,,0.3876684,,,
+1031229001,*Nc1ccc(Oc2ccc(-c3cccc4c3[C@H]3c5ccccc5[C@@H]4c4ccccc43)c(Oc3ccc(N*)cc3)c2)cc1,,0.37154684,,,
+1032049018,*CC(*)C(=O)OC(CCC(CC)CCCC)CC(C)C,,,0.2319999999999999,0.858171779,10.23167095
+1032380700,*Nc1cc([N+](=O)[O-])c(NC(=O)CCCCC(*)=O)cc1C=Cc1ccc(N(C)C)cc1,,0.34629729,,,
+1032824878,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(C)C6=O)cc4)cc3)cc2)cc1,,0.3747633,,,
+1032864427,*c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C4(CC(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc64)CC5(C)C)cc3C2=O)c1,,0.38956456,,1.109968877,20.26112885
+1033105320,*CCCCCC(*)CCCCCCCCCCCC,,,0.381,,
+1033189892,*C=Cc1ccc(N(C)CCOC(=O)Nc2ccc(C)c(NC(=O)OCCN(C)c3ccc(C=CC4=CC(=C(C#N)C#N)C=C(*)O4)s3)c2)s1,,0.37243706,,,
+1033278937,*c1ccc(-c2ccc(C(*)(C)C(F)(F)F)cc2)cc1,,,0.194,1.086916359,21.06056085
+1033351470,*C(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6C)c(C)c4)C5=O)cc3)CCC(C(C)(C)C)CC2)cc1,,0.38006135,,,
+1033553223,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6cc7ccccc7cc6Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.36802502,,,
+1033716962,*CC1CCCC(CN2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)C1,,0.36071936,,,
+1033918415,*c1cc(OCCCCCCCC)cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37173532,,,
+1033946861,*CC(*)C(=O)OCCSCC#N,,0.37675973,0.183,1.158953952,13.88465277
+1034104971,*CCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCOc3ccc(C4(c5ccc(O*)cc5)c5ccccc5-c5ccccc54)cc3)CC2)CC1,,0.35609978,,,
+1034123279,*CC(*)(C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,,0.38728627,0.122,0.88188115,10.05911169
+1034236621,*C(=Cc1cc(OC)c(C=C(c2ccccc2)c2ccc(-c3ccc(*)cc3)cc2)cc1OC)c1ccccc1,,0.3885182,,,
+1034741718,*CCCS*,,0.44308089,,,
+1034918215,*Nc1ccc(C(C)(C)c2ccc(NC(=O)c3cc(NC(=O)c4ccccc4)cc(C(*)=O)c3)cc2)cc1,,0.35251392,,,
+1034983348,*CCC[Si](*)(C)O[Si](C)(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1,,0.38002629,,,
+1035028820,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3ccc4c(c3)C(c3ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc3)(c3ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc3)c3cc(*)ccc3-4)ccc1-2,,0.43188759,,,
+1035315076,*c1ccc(Oc2ccc(-c3cc(-c4ccccc4)c4cc(-c5ccc6nc(*)cc(-c7ccccc7)c6c5)ccc4n3)cc2)cc1,,0.41044986,,,
+1035856874,*CC(*)CC(C)CC,,,0.202,,
+1036138133,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C7(c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)CCC(C(C)(C)C)CC7)cc6)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.38499973,,,
+1036220346,*Oc1ccc(C=CC(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.37255278,,,
+1036443335,*NNC(=O)C=CC(=O)NCCCCCCNC(=O)C=CC(*)=O,,0.30930644,,,
+1036702537,*C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Sc6ccc(Oc7ccc(Sc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7)cc6)cc4)C5=O)cc3)c2)cc1,,0.36243783,,,
+1037214507,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(Cc4ccc(*)cc4)cc3)cc2)cc1,,0.37003696,,1.184644856,21.96383699
+1037247055,*Nc1ccc2ccccc2c1/N=N/c1ccc(-c2ccc(/N=N/c3c(N*)ccc4ccccc34)c(C)c2)cc1C,,0.35713398,,,
+1037483608,*C=CC1CC(*)C(C#N)([Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)C1,,0.44205828,,,
+1037753254,*COC(=O)OCC1OC(C)(C)OC1*,,0.33690966,,,
+1037907132,*CC(*)C(=O)Oc1ccc(N=Nc2ccc(OC)cc2)cc1,,0.35769038,,,
+1037933162,*Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.33585548,,,
+1038226153,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,,0.204,1.135056188,22.20715615
+1038295245,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.3576415,,,
+1038630240,*c1ccc2c(c1)C(CC(CC)CCCC)(CC(CC)CCCC)c1cc(*)ccc1-2,,0.41460255,,,
+1038723100,*Nc1cc2cc3cc(C)c(N*)cc3cc2cc1C,,0.353293,,,
+1038983275,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCCCCCCCCCCCC)cc1,,0.36221772,,,
+1039049249,*Oc1cc(C)c(C(c2cc(C(C)C)c(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2C)c2ccccc2C(=O)O)cc1C(C)C,,0.41139,,,
+1039097467,*CCC(C)(C)CC(C)COC(=O)c1ccc(C(=O)O*)cc1,,0.34932417,,,
+1039985158,*CCCCC(C)CC(=O)N*,,,0.254,,
+1040974624,*c1cccc(-c2nc3cc4nc(-c5ccccc5)c(*)nc4cc3nc2-c2ccccc2)c1,,0.45725149,,,
+1041000545,*Nc1ccc(-c2ccc(-c3ccc(N*)c(-c4ccc(C)cc4)c3-c3ccc(C)cc3)cc2)cc1,,0.37262427,,,
+1041165828,*CCCCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33846216,,,
+1042275963,*C=CC(C)C(*)C(=O)OCCCCCCN(C)c1ccc(N(C)C)cc1,,0.38084203,,,
+1042390014,*Oc1ccc(Oc2ccc(OC(=O)c3cc(OCCCCC)cc(C(*)=O)c3)cc2)cc1,,0.35782168,,,
+1042430628,*Nc1cc(C)c(Cc2ccc(CCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.36377279,,,
+1042780856,*CCN(CCOC(=O)c1ccc(C(=O)O*)c(OC)c1)c1ccc(N=Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3CC)cc2)cc1,,0.36008701,,,
+1043405335,*c1ccc(-c2sc(-c3ccc(-c4cc(CCCCCCCC)c(*)s4)cc3)cc2CCCCCCCC)cc1,,0.44716761,,,
+1044196654,*C(F)(F)C1(*)OC(F)(F)C(F)(F)O1,,0.3876684,,,
+1044241223,*NC(CCC(=O)OCCCCCCCCCC)C(*)=O,,0.37124704,,,
+1044295958,*OC(=O)C(Cc1ccccc1)NC(=O)CCCCC(=O)NC(Cc1ccccc1)C(=O)OC1COC2C(*)COC12,,0.33895751,,,
+1044700576,*CC(*)OC(=O)C=Cc1ccccc1,,0.35329706,,,
+1044740151,*CCN(*)C(=O)c1c(F)cc(F)c(F)c1F,,0.34348957,,,
+1044945612,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38948605,,,
+1045029623,*CCCCCCNC(=O)CCc1ccc(CC(=O)N*)cc1,,0.34201824,,,
+1045248903,*Nc1ccc(CCCc2cccc(CCCc3ccc(N*)cc3)c2)cc1,,0.34755922,,,
+1045265904,*CCOC(=O)CCSCCC(=O)O*,,0.33737751,,,
+1045484392,*Nc1ccc(-c2ccc(NC(=O)c3cc(NC(=O)c4ccncc4)cc(C(*)=O)c3)cc2)cc1,,0.33973104,,,
+1045667225,*CC(=O)NCCCCCCNC(=O)COC(=O)CCCCCCCCCCC(=O)O*,,0.34246271,,,
+1046009311,*C(C)=C(*)SCC,,0.42702088,,,
+1046027555,*Oc1ccc(Oc2ccc(C=NCCCCN=Cc3ccc(*)cc3)cc2)cc1,,0.36995005,,,
+1046064945,*C=C(*)c1ccccc1C[Si](C)(C)C,,0.43642908,,,
+1047211829,*Nc1ccccc1NC(=O)CCCCCCC(*)=O,71.92438381,,,,
+1047488413,*Nc1ccc([C@@H](C)/C=C2/C=CC/C(=C\[C@H](C)c3ccc(N*)cc3)C2)cc1,,0.36075305,,,
+1047573880,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,,0.3742406,,,
+1047587622,*CCC(*)(C)C,,0.39620363,0.1956666666666666,,
+1047765125,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(Br)c(Oc3c(Br)cc(N4C(=O)c5ccc(*)cc5C4=O)cc3Br)c(Br)c1)C2=O,,0.42586088,,,
+1048177525,*CC(CCl)(CCl)COC(=O)CCCCC(=O)O*,2.83724036,,,,
+1048219303,*Oc1ccc2c(c1)C(C)(C)CC2(C)c1ccc(Oc2ccc(C3(C)CC(C)(C)c4ccc(*)cc43)cc2)cc1,308.5311609,,,,
+1048356010,*Oc1ccc(Oc2ccc(NC(=C(C#N)C#N)c3ccc(-c4ccc(C(Nc5ccc(*)cc5)=C(C#N)C#N)cc4)cc3)cc2)cc1,270.2905197,,,,
+1048411136,*Oc1c(C)cc(*)cc1C(C)CCC,,0.42324434,,,
+1048769739,*Nc1ccc(N*)c(Cc2ccc3ccccc3c2)c1,,0.34211504,,,
+1048831581,*Nc1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc(C(*)=O)cc3)cc2)cc1C(=O)OCCCCCCCCCCCCCC,,0.35634052,,,
+1049514979,*Nc1ccc([C@H](C)c2ccc(C(C)(c3ccc([C@@H](C)c4ccc(N*)cc4C)cc3)C3CCCCC3)cc2)c(C)c1,,0.37519578,,,
+1049869017,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3ccc(N)c(N)c32)cc1,,0.377461295,,,
+1050100593,*c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(-n4c(=O)c5sc6c(=O)n(*)c(=O)c6sc5c4=O)cc3)cc2)cc1,327.2441987,,,,
+1050347337,*Oc1ccc(N=Cc2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C=Nc6ccc(Oc7ccc(-c8ccc(*)cc8)cc7)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1,,0.36915045,,,
+1050360528,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CCCCCC2)cc1,,0.35365375,,,
+1050435822,*CCCCCCNC(=O)N*,,,0.328,1.021142597,23.54088095
+1050763719,*c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37088821,,,
+1050868721,*C(F)(F)C1(F)C(F)(F)C(*)(F)C(F)(F)C(F)(Cl)C1(F)F,,0.3357861,,,
+1051120785,*OC(=O)CCSCCC(*)=O,6.950276755,,,,
+1051267871,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(C(C#N)=C(C#N)C#N)cc1,,0.35653071,,,
+1051950887,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.35265054,,,
+1052347491,*CCNC(=O)c1ccccc1O*,,0.32695077,,,
+1052403305,*CC(*)C(=O)OCCCCCn1c2ccccc2c2ccccc21,,0.3540605,,,
+1053128614,*Nc1ccc2ccc3c(N*)c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cc4ccc1c2c43,,0.3681964,,,
+1053654075,*CC(C)(C)COC(=O)c1ccc(C=Cc2ccc(C(=O)O*)cc2)cc1,,0.36382705,,,
+1053689640,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccccc3)(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)C(F)(F)F)cc1)C2=O,,0.39510719,,,
+1053749106,*CCCCCCCCCCSSSS*,,0.45331783,,,
+1054068496,*CCCCCCCCCCC(=O)NCc1ccc(CNC(=O)CCCCCCCCCCS*)cc1,,,0.285,0.976393146,21.13686578
+1054663737,*CCOCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(O*)cc3)c2)cc1,,0.33617998,,,
+1054699439,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1cccc([Si](*)(C)C)c1,,0.44425689,,,
+1055096978,*C(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6C)c(C)c4)C5=O)cc3)CCCCCCCCCCC2)cc1,,0.36900879,,,
+1055238521,*CC(*)c1cc(C(=O)Oc2ccc(OCCCCCCCCCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCCCCCCCCCC)cc1,,0.37774913,,,
+1055403183,*CC(CSCCCCC)O*,,0.4202301,,,
+1055512615,*CC(*)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.36402861,,,
+1056241646,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)c3C#N)cc1)C2=O,,0.37263888,,,
+1056427666,*CC(*)(C)C(=O)OCC(F)(F)C(F)F,,0.33748264,,,
+1056745854,*CCSS*,,0.48456382,,,
+1056838688,*CC(*)OCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36475321,,,
+1056941097,*CCOCCOCCOc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(O*)c3)cc2)c1,,0.33695594,,,
+1057142863,*CCCCSCS*,1.410869343,,,,
+1057428367,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)c2C#N)c1,,0.36471825,,,
+1057546694,*CC(*)C1CCC1,,,0.209,,
+1057577802,*c1ccc(NC(=O)c2ccc(OCCOCCOCCOCCOCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)cc1,,0.34464658,,,
+1057831981,*CCN(CCOC(=O)NCC1(C)CC(NC(=O)O*)CC(C)(C)C1)c1ccc(C=C(C#N)C#N)cc1,,0.35418826,,,
+1058058469,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3ccc4c(c3)C3(CCC(C(C)(C)C)CC3)c3cc(*)ccc3-4)ccc1-2,,0.4177397,,,
+1058114006,*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,,0.31210556,,,
+1058146720,*CCCS(=O)(=O)CCCCS(=O)(=O)CCCOC(=O)c1ccccc1C(=O)O*,,0.34980137,,,
+1058557408,*CCOC(=O)C1CCC(C(=O)O*)CC1,,0.32751388,,,
+1058865431,*NCCCN*,,0.311097505,,,
+1058915923,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(C=C9CCC(=Cc%10ccc(*)cc%10)C9=O)cc8)cc7)cc6)cc5)CCCC4)cc3)cc2)cc1,,0.37436911,,,
+1058961949,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6cccc(Oc7cc(C(C)(C)C)c(Oc8cccc9c8C(=O)N(*)C9=O)cc7C(C)(C)C)c6C5=O)cc4)cc3)cc2)cc1,,0.39017325,,,
+1059090867,*Nc1cc(NC(=O)Nc2ccc(NC(*)=O)cc2)cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1,,0.32639066,,,
+1059116091,*Oc1ccc(C(=O)Nc2cc(C(c3ccc(C)c(NC(=O)c4ccc(OC(=O)c5ccc(C(*)=O)cc5)cc4)c3)(C(F)(F)F)C(F)(F)F)ccc2C)cc1,,0.34683518,,,
+1059315394,*C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(-c4nc5cc(*)ccc5nc4-c4ccccc4)cc3)nc2c1,,0.4322761,,,
+1059383045,*Oc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(Oc5nc(*)nc(Sc6ccccc6)n5)cc4)cc3)cc2)cc1,,0.35642575,,,
+1059454282,*C(Cl)=C(*)CCCCCCCC,,0.40192369,,,
+1059658423,*CC(*)CCCC(C)(C)C,,,0.216,,
+1059731090,*c1ccc(Oc2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.38213277,,,
+1059955409,*C(C)=C(*)[Si](C)(C)C[Si](C)(C)C,,0.41481827,,,
+1060516600,*Nc1ccc([C@H](C=C)c2ccc(C3(c4ccc([C@@H](C=C)c5ccc(N*)cc5)cc4)CCCCC3)cc2)cc1,,0.36338058,,,
+1060757060,*CC(C)=CC(C)S(*)(=O)=O,,0.38497626,,,
+1060916262,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7c(C)cc(C(C)(C)c8cc(C)c(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)c(C)c8)cc7C)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38730912,,,
+1061550399,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.42334602,,,
+1061842940,*Oc1cccc(OC2(F)C(*)(F)C(F)(F)C2(F)F)c1,,0.33739946,,,
+1063041507,*Oc1ccc(N=C(c2ccccc2)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C(=Nc6ccc(*)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,,0.38185283,,,
+1063440128,*CC(*)C(=O)OCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3cccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,,0.36748449,,,
+1064087880,*OC1C(C)(C)C(OC(*)=O)C1(C)C,,0.37459599,,,
+1064576585,*CCOCCOc1ccc(NC=Nc2ccc(O*)cc2)cc1,,0.35570592,,,
+1064842298,*c1ccc(OCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCOc2ccc(-c3nnc(*)s3)cc2)cc1,,0.37562329,,,
+1064934987,*CC(*)c1ccc([SiH](C)C)cc1,,0.42154947,,,
+1065372195,*NCCCC(C)CN*,,0.32866479,,,
+1065435792,*CC(*)(C)C(=O)OCCCCCCCCCCn1c2ccccc2c2cc(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21,,0.36431526,,,
+1065541315,*CCCCCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(O*)c3)c2)c1,,0.34386571,,,
+1065659422,*Nc1ccc(Cc2ccc(NC(=O)Nc3ccc(CCc4ccc(NC(*)=O)cc4)cc3)cc2)cc1,183.1975298,,,,
+1065912423,*c1ccc(Cc2ccc(N3C(=O)CC(Nc4ccc(NC5CC(=O)N(*)C5=O)cc4)C3=O)cc2)cc1,248.5034267,,,,
+1065918379,*Oc1ccc(OC(=O)c2cc(NC(=O)c3ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)cc3)cc(C(*)=O)c2)cc1,58.7319127,,,,
+1066071241,*c1ccc(-c2ccc(C(*)(c3ccc(F)cc3)C(F)(F)F)cc2)cc1,,,0.185,1.113444185,20.76961788
+1066274431,*OP(=O)(Oc1ccc(C(C)(C)c2ccc(*)cc2)cc1)OC1CCCCC1,,0.36508508,,,
+1066470436,*c1cc(CCCCCCCCCCCCCCCCC)c(*)s1,,,0.396,,
+1066912127,*CC(C)(CC)CO*,,0.38345634,,,
+1067785609,*Nc1ccc(Nc2ccc(C(O)(c3ccccc3)c3ccc(C(O)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.39313145,,,
+1067787070,*c1ccc(*)c(C(=O)c2ccccc2)c1,,0.39891755,,,
+1068100442,*CC(*)(C)C(=O)NC(C)c1cccc2ccccc12,,0.35801124,,,
+1068153413,*Oc1ccc(Oc2cccc(*)n2)cc1,,0.3485515,,,
+1068186328,*CCOCC(CCl)O*,,0.36652669,,,
+1068353755,*CCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccc(Br)cc2)c1,,0.35980816,,,
+1068808459,*C=Cc1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(F)c(C(F)(F)F)c1,,0.39040099,,,
+1068978203,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)c4cccc(C(=O)Nc5cccc(O*)c5)c4)c3)cc2)cc1,,0.34174788,,,
+1069092654,*C[Ge](C)(C)Cc1cocc1*,,0.3589821,,,
+1069141321,*Nc1ccc(C(CC[C@](c2ccccc2)(c2ccc(N*)cc2)c2cccc(N)c2)(c2ccccc2)c2ccc(N)cc2)cc1,,0.37535492,,,
+1070036927,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.37048176,,,
+1070310585,*Nc1ccc(-c2cc(-c3ccc(N)c(C)c3)cc(-c3ccc(N*)c(C)c3)c2)cc1C,,0.36074996,,,
+1070320227,*c1ccc(-c2ccc(-c3cc(-c4ccc(Oc5ccc(Oc6ccccc6)cc5)cc4)c4cc(-c5ccc6nc(*)cc(-c7ccc(Oc8ccc(Oc9ccccc9)cc8)cc7)c6c5)ccc4n3)cc2)cc1,,0.38429931,,,
+1070754450,*NC1=C[C@@H]2[C@H]3c4cc(N*)ccc4[C@H](c4cc(N)ccc43)[C@@H]2C=C1,,0.37404178,,,
+1071227644,*c1cc(C(c2ccc(OCCN(C)c3ccc(C=CC4=CC(=C(C#N)S(C)(=O)=O)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(C)c1ccc(C=CC2=CC(=C(C#N)S(C)(=O)=O)CC(C)(C)C2)cc1,,0.37777031,,,
+1071356842,*Oc1ccc(C(=O)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,,0.35694077,,,
+1071493956,*CCCCCCCCCCCSCCCCCCS*,,,0.3145,0.923953778,21.98769917
+1071638401,*c1ccc(Oc2c(C)cc(-c3cc(C)c(Oc4ccc(N5C(=O)c6ccc(Oc7ccccc7Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4C(F)(F)F)c(C)c3)cc2C)c(C(F)(F)F)c1,,0.38084473,,,
+1071860128,*O[Si](*)(C)CCCCCCCCCCCn1c2ccccc2c2ccccc21,,0.38480246,,,
+1071877788,*CCCCCCCC(=O)OCCCCC1COC(*)O1,,0.35831824,,,
+1071999103,*O[Si](c1ccccc1)(c1ccccc1)c1ccc(-c2ccc([Si](*)(c3ccccc3)c3ccccc3)cc2)cc1,,0.40332327,,,
+1072790069,*Nc1c(CC(=O)O)cc2c(N*)nc(N)nc2c1C=O,,0.32104988,,,
+1073329534,*Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5ccc(NC(=O)c6ccc(*)cc6)cc5)cc4)cc3)c2)cc1,,0.36368772,,,
+1073330794,*Oc1ccc(C(=O)c2cccc(NC(=O)CCCCCCCCC(=O)Nc3cccc(C(=O)c4ccc(*)cc4)c3)c2)cc1,,0.35027949,,,
+1073733808,*CC(*)OC(=O)c1cccc(C)c1,,0.36484403,,,
+1074067336,*CC(*)C(=O)OCCCSC,,0.38841806,0.211,1.075871128,12.36347326
+1074560123,*CCCCCCCCNC(=O)CCC(=O)N*,69.22130195,,,,
+1074625910,*NCCCCCN*,,0.320050415,,,
+1075276432,*Oc1ccc(-c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(*)cc5)cc4)cc3)c3ccccc23)c2ccccc12,,0.37716624,,,
+1075404096,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37879971,,,
+1075461516,*CC(O)COC(=O)CCCCCCCCC(=O)OCC(O)COc1ccc(C=C(C)c2ccc(O*)cc2)cc1,,0.35077016,,,
+1075544965,*c1ccc2c(c1)C(=O)N(c1cccc(C(C)(C)c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c1)C2=O,,0.3925623,,,
+1075748489,*Oc1cccc(Oc2cccc(OC(*)=O)c2)c1,,0.34159568,,,
+1075922952,*Nc1ccc(-c2cc(C)c(-c3ccc(N*)cc3)c(C)c2N)cc1,,0.36789723,,,
+1076149389,*CC(*)OC(=O)C(CC)(CC)CC,20.41787387,,,,
+1076285178,*CCCCCCCCCC(=O)N*,,0.36456285,,,
+1076325582,*CC(*)(C)C(=O)OC1CC2CCC1(C)C2(C)C,,0.40517863,0.143,0.87251011,10.2622674
+1076737435,*Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(*)cc3C(=O)O)cc2)c(C(=O)O)c1,216.6231471,,,,
+1076766601,*CC(*)OC(=O)c1ccc(OCC)cc1,,0.35412177,,,
+1077387611,*CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(Cc3nnc(-c5ccc(Oc6ccc(-c7nnc(*)o7)cc6)cc5)o3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.36777032,,,
+1077715415,*C=Cc1cc(OCCCCCC)c(*)cc1OC,,0.38047762,,,
+1077770059,*C(=O)Nc1c(CC)cc(Cc2cc(CC)c(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(N=Nc5ccc(C)cc5)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)c(CC)c2)cc1CC,,0.3890601,,,
+1077976008,*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*)cc1,,0.36974923,0.368,0.942820572,20.09079341
+1078277401,*Nc1cccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)NC(*)=S)cc2)c1,,0.33377673,,,
+1078510278,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(N=Nc3ccc(C)cc3)c3ccccc23)cc1,,0.36498491,,,
+1078694994,*Oc1ccc(P(=O)(c2ccccc2)c2ccc(*)cc2)cc1,,0.38958964,,,
+1079075328,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)c(C(F)(F)F)c1)C2=O,,0.38478301,,,
+1079079241,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1C1CCCCC1,,0.37641146,,,
+1079236284,*Nc1ccc(-c2ccc(C3=CC[C@](N*)(c4ccccc4)C=C3)cc2)cc1,,0.34703022,,,
+1079254349,*Nc1ccc(Cc2ccc(NC(=O)c3cc(C(*)=O)cc(N4C(=O)C5C6CCC(C6)C5C4=O)c3)cc2)cc1,,0.36179092,,,
+1079860530,*OC(CCOc1ccccc1)CC(*)=O,,0.34230265,,,
+1080075202,*CCCCCCCCCCCCCCCCOC(=O)CC/C=C/CCC(=O)O*,,0.37777688,0.304,,
+1080185947,*CCC1CC(*)C2C3CCC(C3)C12,,0.38101564,,0.933540935,15.81211052
+1080677483,*C=CC1CC(*)C2C(=O)N(c3ccccc3)C(=O)C12,,0.3604348,,,
+1080857742,*c1ccc(C(c2ccccc2)c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.39612833,,,
+1081105585,*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C)c(N3C(=O)c4ccc(*)cc4C3=O)c1C)C2=O,,0.40883151,,,
+1081227608,*C[Si](*)(C)CCCN(CC)CC,,0.38730657,,,
+1081296468,*O[Si](*)(C)OCCOCCOCCOCCOCCOCCOCCOCCOC,,0.36497131,,,
+1081913704,*Cc1ccccc1CSS*,,0.39101963,,,
+1082020725,*O[Si](C)(C)c1ccc([Si](C)(C)O[SiH](*)CCC(F)(F)F)cc1,,0.41587885,,,
+1082166960,*C(F)(F)C(*)(F)OC(F)(F)F,,0.30823837,,,
+1082266101,*CCCCCCCCOC(=O)NCCCCCCNC(=O)O*,,0.35264374,,,
+1082761945,*NC[C@H](N*)C(=O)[C@@H](N)[C@H](N)C=O,,0.30524997,,,
+1082852638,*Oc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc21,,0.38802883,,1.024454484,16.97613627
+1083086006,*CCCCOc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(O*)cc3)c(C(=O)OCC=C)c2)cc1,,0.34241314,,,
+1083192261,*CCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.3510293,,,
+1083208752,*C(=O)Nc1ccc(Oc2cccc3c(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6cccc7c(N8C(=O)c9ccc(*)cc9C8=O)cccc67)cc4)C5=O)cccc23)cc1,,0.36673597,,,
+1083322172,*CCN(*)C(=O)CCCCCCCCCCCCCC,,,0.309,,
+1083424600,*CC(*)C(=O)OCCCCCCn1c2ccccc2c2ccccc21,,0.35821095,,,
+1084524118,*c1ccc(Oc2ccc(-c3nc4cc5sc(*)nc5cc4s3)cc2)cc1,,0.47726356,,,
+1084974257,*Nc1c(CCCCC)cc2c(ccc3c4ccccc4ccc23)c1N*,,0.34568189,,,
+1085199184,*CCNC(=O)c1cccc(C(=O)NCCOc2ccc3ccc(O*)cc3c2)c1,,0.32973712,,,
+1085340471,*Nc1c2nc(C)n(N)c(=O)c2cc2c(=O)n(N*)c(C)nc12,,0.36303676,,,
+1085397410,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCCOc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.35082943,,,
+1085462355,*Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.36571135,,,
+1085625486,*CCCCCCCCN(C)c1ccc(C(=O)c2ccc(N(*)C)cc2)cc1,,0.38912701,,,
+1085727848,*CCC(=C(*)c1ccccc1)c1ccccc1,,0.39996108,,,
+1085767747,*Oc1ccc(C2(c3ccc(OC(*)=O)c(Cl)c3)CC3CCC2C3)cc1Cl,,0.37867206,,,
+1086507513,*N[C@H]1CC[C@H](C(C)([C@H]2CC[C@H](N*)CC2)C(C)(c2ccc(N)cc2)c2ccc(N)cc2)CC1,,0.36049082,,,
+1086648178,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)N(C)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)c1)C2=O,,0.36412971,,,
+1086813009,*Oc1ccc(SC(=O)Sc2ccc(*)cc2)cc1,,0.3635142,,,
+1087155239,*CCOCCOC(=O)CCCCCCCCC(=O)O*,,0.34936993,0.229,,
+1087298590,*CCN(*)C(=O)C1(c2ccc(Cl)cc2)CCC1,,0.37883274,,,
+1087567752,*C=C1CCC(=Cc2ccc(Sc3ccc(*)o3)o2)C1=O,102.2883172,,,,
+1087727668,*Nc1ccc(C(Cc2ccccc2)c2ccc(N*)cc2)cc1,,0.35034415,,,
+1087863432,*CCC[Sn](C)(C)CCCOC(=O)C(CCCCCCCCOc1ccc(-c2ccc(OCc3ccc(C#N)cc3)cc2)cc1)C(=O)O*,,0.34246271,,,
+1087874446,*CC(*)(C)C(=O)OCCCCCCCCCC,,0.38783787,0.259,0.880799375,10.58766356
+1088069103,*CC(*)c1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.37120433,,,
+1088166568,*CC(*)(C)C(=O)OCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1,,0.33766319,,,
+1089099608,*CCOc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(O*)cc3)c(OCCCCC)c2)cc1,,0.34588903,,,
+1089343278,*CC(*)(C)C(=O)OC12CC3CC(CC(C3)C1)C2,,0.39138472,0.1245,0.905497494,10.82663282
+1089446070,*Nc1cc2c(cc1N*)-c1ccccc1C2,,0.34184722,,,
+1089600845,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCCCCCCCCCC9)cc8)cc7C6=O)cc5)cc4)CC4CCC3C4)cc2)cc1,,0.38133865,,,
+1090041949,*c1ccc(Oc2c(C)cc(C(C)(C)c3cc(C)c(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C8(c9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9)CCC(c9ccccc9)CC8)cc7)cc6C5=O)cc4)c(C)c3)cc2C)cc1,,0.38650416,,,
+1090062634,*CC(*)(Cl)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32985562,,,
+1090620461,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5nc(-c6ccccc6)[nH]c5*)cc4)cc3)cc2)cc1,,0.38724079,,,
+1090704353,*CC(*)COCC1COC(=O)O1,,0.31094849,,,
+1090817229,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6cccc(Oc7cccc8c7C(=O)N(*)C8=O)c6)c5C4=O)cc3)c2)cc1,,0.3559394,0.165,1.216100189,17.29130819
+1091045706,*Oc1ccc(-c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.37742789,,,
+1091424818,*Nc1ccc2c(C)c(-c3ccccc3)c(-c3ccccc3)c(N*)c2c1N,,0.35215178,,,
+1091676819,*c1ccc(C(C#N)(C(=O)OC)C(*)(C#N)C(=O)OC)cc1,,0.40250352,,,
+1091865104,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c2)cc1,,0.3595073,,,
+1092008018,*Nc1ccc([C@@H]2c3ccccc3-c3ccc(N*)c(N)c32)cc1,,0.35996312,,,
+1092288968,*Nc1ccc2c(c1)[C@@H]1c3ccc(C)cc3[C@H]2c2cc(N*)ccc21,,0.38323804,,,
+1092404802,*CCCCNC(=O)Cc1ccc(C(=O)N*)cc1,,0.32910711,,,
+1092542084,*c1ccc(-n2c(=O)c3c(F)c4c(=O)n(*)c(=O)c4c(F)c3c2=O)cc1,337.816724,,,,
+1092567276,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8cc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)ccc8c7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36600416,,,
+1092652620,*CC(*)c1ccc(N(c2ccccc2)c2ccccc2)cc1,,0.4131707,,,
+1092863578,*N=P(*)(OCCCCCCCCC)OCCCCCCCCC,,0.40563512,,,
+1093111808,*c1ccc2oc(-c3cc(OCCCCCCCCCC)c(-c4nc5cc(C(*)(C(F)(F)F)C(F)(F)F)ccc5o4)cc3OCCCCCCCCCC)nc2c1,,0.39288084,,,
+1093119609,*c1ccc(Oc2cc3ccccc3cc2Oc2ccc(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.36656282,,,
+1093757238,*Oc1cccc(OC(=O)c2ccc(C(C)(C)c3ccc(C(*)=O)cc3)cc2)c1,,0.36093522,0.222,1.102151001,21.991583
+1093999589,*Nc1ccc([C@H](CCCC)c2ccc(C(CC[C@H](CCC)C3CCCCC3)c3ccc([C@@H](CCCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.37019133,,,
+1094849192,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4c(C(=O)c5ccc(*)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c4-c4ccc(F)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.40384519,,,
+1095118388,*Nc1cc(NC(=O)CCCCCCCCC(*)=O)cc(-c2nnc(-c3ccccn3)o2)c1,,0.36358328,,,
+1096169476,*CCCCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,,,0.381,,
+1096482563,*CC1(COC(=O)O*)CC=CCC1,,0.3421933,,,
+1097037876,*C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(C8(c9ccc(Oc%10ccc(N%11C(=O)c%12ccc(*)cc%12C%11=O)cc%10)cc9)NC(=O)c9ccccc98)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.3628852,,,
+1097383443,*Oc1ccc2ccc(Oc3ccc(C(=O)Nc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(NC(=O)c8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc2c1,,0.35891323,,,
+1097591808,*c1ccc(-c2cc(-c3ccc(OCCCCCC)cc3)cc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(*)ccc4-5)cc3)c2-c2ccc(OCCCCCC)cc2)cc1,,0.39702352,0.29,0.887994076,19.66529502
+1098253429,*C(=Cc1cc(OC)c(C=C(c2ccc(*)cc2)c2ccc(F)cc2)cc1OC)c1ccc(F)cc1,,0.39273614,,,
+1098329316,*CC(CCCCCCCCCCCC)COC(=O)NC(=O)c1cccc(C(=O)NC(=O)O*)c1,,0.34491692,,,
+1098458595,*Nc1cc(NC(=O)c2cc(OCCCS(=O)(=O)c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)cc(C(*)=O)c2)cc(C(=O)OCCCN(C)c2ccc(N=Nc3ccc(S(C)(=O)=O)cc3)cc2)c1,,0.36246198,,,
+1098493024,*CCCCCCOc1ccc(C(=O)N(C(=O)c2ccc(O*)cc2)c2cc(C)cc(C)c2)cc1,,0.37589953,,,
+1098503912,*Nc1ccc(CCCC=C(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.35438758,,,
+1099489498,*CC(*)C(=O)Oc1ccccc1C(C)(C)C,,0.36674405,0.175,0.949266643,11.30667741
+1099529039,*C1C(=O)N(CCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1*,,0.34826627,,,
+1099611212,*CC(C)(C)CO*,,0.38553594,,,
+1099687723,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(NC(=O)Nc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc1,,0.33834111,,,
+1100016656,*O[Si](C)(C)CCCC(=O)Oc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(OC(=O)CCC[Si](*)(C)C)cc4)cc3)cc2)cc1,,0.37725697,,,
+1100237859,*CC(C)(COC(=O)O*)C(=O)OCc1ccccc1,,0.34012243,,,
+1100342042,*Nc1ccc2c(c1)[C@]1(c3ccccc3-2)c2cc(N*)ccc2-c2ccc(C(C)(C)C)cc21,,0.3907835,,,
+1100790418,*Oc1ccc(-c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(*)cc6)cc5)cc4)cc3)c3ccccc23)c2ccccc12,,0.3844144,,,
+1100941404,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c(-c5cccc(-c6nc7cc(*)ccc7[nH]6)c5)nc4c3)cc2)cc1,,0.37607565,,,
+1101351580,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4c(C(=O)c5ccc(*)cc5)c(-c5ccccc5)c(-c5ccc6ccccc6c5)c(-c5ccc6ccccc6c5)c4-c4ccccc4)cc3)cc2)cc1,,0.3993001,,,
+1101626993,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37953912,,,
+1101869163,*CC(*)C(=O)Oc1ccc(C(=O)OCCCC)cc1,,0.35302021,0.2329999999999999,1.072941358,12.11326982
+1102089845,*CC(*)(CC(=O)OCCOCCOCCOCCOCCOCCOCCOC)C(=O)OCCOCCOCCOCCOCCOCCOCCOC,,0.34860054,,,
+1102195850,*Cc1ccc(CNC(=O)CCCCCCCCC(=O)N*)cc1,,0.34218034,,,
+1102959825,*c1ccc(-c2nc3cc(S(=O)(=O)c4ccc5nc(-c6ccccc6)c(*)nc5c4)ccc3nc2-c2ccccc2)cc1,,0.42858574,,,
+1103272237,*CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCOc3ccc(O*)cc3)cc2)cc1,,0.33635449,,,
+1103276909,*CC(*)C(=O)OC(F)(C(F)(F)F)C(F)(F)F,,0.31831745,0.1119999999999999,1.502297049,14.21742857
+1103729487,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C)cc(C(c4cc(C)c(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C)c4)c4cccc5ccccc45)cc3C)cc1)C2=O,,0.4076565,,,
+1104001182,*Nc1ccc(Nc2ccc(N*)cc2)cc1,,0.31540535,,,
+1104150399,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3ccc4c(c3)c3cc(*)ccc3n4-c3ccc(OC)cc3)ccc1-2,,0.38956004,,,
+1104675070,*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C2CC3CC2C2C4CCC(C4)C32)cc1,,0.37873472,,,
+1104783164,*c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.37765587,,,
+1104839860,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7c6)cc5C4=O)cc3)cc2)cc1,,0.36627913,,,
+1105092944,*Nc1ccccc1-c1c(N)ccc2c(-c3ccccc3N)c(N*)ccc12,,0.35001421,,,
+1105455152,*C(=O)OCCOC(=O)N1CC(C)N(*)CC1C,60.10633691,,,,
+1105607471,*CCCCOC(=O)/C=C\C(=O)O*,,0.31922537,,,
+1105655721,*C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(C)c(N5C(=O)c6ccc(*)cc6C5=O)c3C)C4=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.37354476,,,
+1105688396,*CCOc1ccc(S(=O)(=O)c2ccc(OCCOP(=O)(O*)Oc3ccc(Br)cc3)cc2)cc1,,0.35394137,,,
+1106240394,*C(=O)C1CC1C(=O)N1CCN(*)CC1,100.5840527,,,,
+1106363407,*Nc1c(-c2ccccc2)cc(-c2cccc3ccccc23)c(-c2ccccc2)c1N*,,0.36326423,,,
+1106578418,*Oc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(OC4COC5C(*)COC45)cc3)cc2)cc1,,0.33322541,,,
+1106718991,*c1cccc(N2C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1,,0.37305754,,,
+1106744054,*CC(CS(=O)(=O)CCC)O*,,0.37543167,,,
+1106849268,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6cccc(Oc7c(C)cc(Cc8cc(C)c(Oc9cccc%10c9C(=O)N(*)C%10=O)c(C)c8)cc7C)c6C5=O)cc4)cc3)cc2)cc1,,0.3774632,,,
+1108103978,*CC(*)c1ccccc1COCCCCC,,0.38189308,0.186,0.935560059,11.1484409
+1108143190,*c1cccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(*)nc5c4)ccc3nc2-c2ccccc2)c1,,0.41818532,,,
+1108204726,*c1cc(*)c(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c1,,,0.266,1.120600809,15.17923007
+1108782775,*CCCCCCOC(=O)OCCCCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.339636,,,
+1108992243,*CC(=O)C(*)c1ccc(C)cc1,67.57313464,,,,
+1109762567,*c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc6cc(Oc7ccc8c(c7)C(=O)N(*)C8=O)ccc6c5)cc4C3=O)c2)cc1,,0.36778289,,,
+1109873532,*C(=O)OCCOC(=O)c1ccccc1N1C(=O)c2ccc(*)cc2C1=O,,0.34278751,,,
+1110214736,*c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1OCCCCCCOc1ccc(-c3ccc(OCC)cc3)cc1)C2=O,,0.3582791,,,
+1110372599,*CCCCCCOC(=O)CCCCCCC(=O)OCCCCCCN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.34654201,,,
+1110669170,*C(=O)c1ccc(N=Nc2ccc(C(=O)N3C(=O)N(*)C(c4ccccc4)(c4ccccc4)C3=O)cc2)cc1,183.844758,,,,
+1110735297,*CC(*)(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.33305735,,,
+1110869363,*c1ccc(OCC2CCC(COc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)CC2)cc1,,0.36298735,,,
+1110958155,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3C(C)(C)C)c2)cc1,,0.36107989,,,
+1111539989,*Cc1ccc(OCc2ccc(COc3ccc(*)c4cccnc34)cc2)c2ncccc12,200.3538526,,,,
+1112220366,*CC(*)(C)C(=O)OCc1cccc(Cl)c1Cl,,0.35611555,,,
+1112287021,*Oc1ccc(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4ccc(OC(=O)c5ccc(N=Nc6ccc(C(*)=O)cc6)cc5)cc4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)cc1,,0.36582704,,,
+1112294940,*OP(=O)(Oc1c(Cl)cc(Cl)cc1Cl)Oc1c(Cl)c(Cl)c(*)c(Cl)c1Cl,,0.36280983,,,
+1112362061,*CCc1ccc(*)cc1,,0.38563218,,,
+1112494306,*C=CC1CC(*)C2C(=O)N(CCCC)C(=O)C12,,0.36281424,,,
+1112748716,*OS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)Oc3ccc(-c4ccc(*)cc4)cc3)cc2)cc1,,,,1.24578392,23.22098571
+1112902230,*NC(CCC(=O)OCC)C(*)=O,,0.32193384,,,
+1113081697,*CCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.36894603,,,
+1113417814,*CC(CCCCCCOc1ccc(N=Nc2ccc(Cl)cc2)cc1)COC(=O)CCCCC(=O)O*,,0.36250896,,,
+1113818194,*Nc1ccc2c(c1)C(C)(C)C[C@@]21CC(C)(C)c2ccc(N*)cc21,,0.37806906,,,
+1114103605,*Oc1c(C)cc(C2(c3cc(C)c(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.39855056,,,
+1114394646,*c1ccc(-c2ccc(-c3ccc(-c4ccc([Si](*)(CCCC)CCCC)s4)s3)s2)s1,,0.43213271,,,
+1114536999,*CC(=O)OC(=O)c1ccc(C(=O)OC(=O)COc2ccc(O*)cc2)cc1,80.44433982,,,,
+1115041145,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(C)c4)cc3C)cc2)cc1,,0.3875115,,1.095765995,20.44800803
+1115283771,*O[Si](C)(C)O[Si](*)(C)c1c(F)c(F)c(F)c(F)c1F,,0.38359544,,,
+1115535876,*c1sc(*)c(OCCCCCCCCCCCCCCCC)c1C,,,0.388,,
+1116045273,*CC(*)c1cccc2c1OCO2,,0.35639333,,,
+1116077459,*Oc1c(-c2ccccc2)cc(*)cc1-c1ccc(C(C)(C)C)cc1,,0.41314664,,,
+1116322713,*C([2H])([2H])C(*)(C(=O)OC([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])[2H],,0.35523733,,,
+1116382939,*C(CCCCCC)=C(*)c1ccccc1,,0.41697419,,,
+1116523292,*CC(*)C(=O)OCCCn1c2ccccc2c2ccccc21,,0.34946013,,,
+1116545880,*CCN(*)C(=O)Cc1ccc(C(F)(F)F)cc1,,0.34471923,,,
+1116644924,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(C(C)(C)CC)CC2)cc1,,0.36254494,,,
+1117693803,*Nc1ccc(-c2ccc(NC(=O)c3cccc(C(*)=O)c3)c(OC)c2)cc1OC,,0.34285391,,,
+1118322325,*Cc1ccc(CNC(=O)CCCCCC(=O)N*)cc1,61.73836642,,,,
+1119425310,*O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,,0.4145335,,,
+1120266201,*c1ccc(*)c(C(=O)c2ccc(C)cc2)c1,,0.40940736,,,
+1120810907,*NCCCCN*,,0.31431622,,,
+1120932055,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6cccc(Oc7c(C)cc(-c8cc(C)c(Oc9cccc%10c9C(=O)N(*)C%10=O)c(C)c8)cc7C)c6C5=O)cc4)cc3)cc2)cc1,,0.37366019,,,
+1121030015,*CCS*,,0.44850444,0.223,1.187990132,21.83251301
+1121099554,*c1cc(C(=O)NCCCCCCCCCCCC)cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.36819069,,,
+1121162795,*CC(c1ccccc1)C1C(=O)N(C)C(=O)C1*,,0.35994352,,,
+1121663416,*Oc1ccc(N=Cc2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C=Nc6ccc(Oc7ccc(-c8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.37355301,,,
+1121754299,*Nc1cc(-c2ccccc2)c(-c2ccccc2N*)cc1-c1ccccc1,,0.35590858,,,
+1121884614,*CCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.346649,,,
+1122012910,*CC(*)(C)C(=O)OCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.34405824,,,
+1122196297,*Nc1ccc(Cc2ccc(NC(=O)c3cc(NC(=O)c4ccccc4)cc(C(*)=O)c3)cc2)cc1,,0.34866462,,,
+1122498895,*CCCCCCCCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,,,0.306,0.968420729,19.39078981
+1122802098,*Cc1ccc(CNC(=O)CCCCCCCCCCCCCC(=O)N*)cc1,,0.36199531,,,
+1123352348,*CC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)CN4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.34069553,,,
+1123567256,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCC(C)CC(=O)O*,,,0.362,0.897262686,19.1607057
+1123597680,*c1cccc(P(C)(=O)c2cccc(N3C(=O)c4ccc(NC(=O)OCCOc5ccc(P(=O)(c6ccccc6)c6ccc(OCCOC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.35188872,,,
+1123733382,*c1cccc(S(=O)(=O)NCCNS(*)(=O)=O)c1,,0.32570227,,,
+1124160654,*CC(*)(C)CC,,0.3612215,0.17,,
+1124320017,*Nc1ccc2c3ccccc3c3ccccc3c2c1N*,,0.33446977,,,
+1125785790,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OC)cc1,,0.34260216,,,
+1125984046,*c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(=O)c5ccc(NC(=O)Nc6ccc(Oc7ccc(NC(=O)Nc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)n2)cc1,,0.35547731,,,
+1126266523,*CCCCCCCCCCNC(=O)NCc1ccc(CNC(=O)N*)cc1,,0.34448877,,,
+1126464769,*Oc1cc(OCCOC)c(OC(=O)c2ccc(C(*)=O)cc2-c2ccccc2)cc1OCCOC,,0.35160749,,,
+1126802641,*ON(C(F)(F)F)C(F)(F)C(F)=C(F)C(*)(F)F,,0.30255693,,,
+1127073632,*CCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.34925616,,,
+1127321613,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cc1,,0.35638392,,,
+1127504526,*CCCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,,0.33190974,,,
+1128237994,*Nc1ccc(*)c(Cl)c1Cl,115.5762842,,,,
+1128593254,*Nc1ccc(C2=CC[C@](N*)(c3ccc(-c4ccccc4)cc3)C=C2)cc1,,0.34625627,,,
+1128659903,*Nc1ccc([C@@]2(C)CC(C)(C)c3cc(N*)ccc32)cc1,,0.36572803,,,
+1128762246,*Nc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1N*,,0.36487251,,,
+1129166454,*CCCCCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.35582087,,,
+1129389664,*c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2C)c(C)c1,,0.3973231,,,
+1129473304,*CCOC(=O)NCCCCCCCCCNC(=O)O*,,0.34415845,,,
+1129746387,*Nc1ccc(/C=C/c2cc3ccccc3cc2/C=C/c2ccc(N*)cc2)cc1,,0.35386503,,,
+1130000577,*Nc1ccc(-c2ccc(N*)c(-c3cccc4ccccc34)c2-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1-c1cccc2ccccc12,,0.37642959,,,
+1130043437,*NCCCCCCCCCCN*,,0.34317069,,,
+1130524840,*C(=O)Nc1ccc(-c2ccc(NC(=O)N3CC(C)N(*)CC3C)cc2)cc1,,0.35679719,,,
+1130989297,*c1ccc2c(c1)C(=O)N(c1cc(OCCCCCCCC)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,0.37326139,,,
+1131052008,*OC(*)CCCCCC,,0.42182416,,,
+1131219961,*Oc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)cc2)cc1,,0.33957071,,,
+1131234083,*c1ccc(Sc2ccc(-c3nc4cc(-c5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,0.41874626,,,
+1131649373,*CCCCCCOC(=O)NCc1ccc(CNC(=O)O*)cc1,,0.33648246,,,
+1131929043,*Nc1ccc(C(=CC=C)c2ccc(N*)cc2)cc1,,0.35869466,,,
+1132377613,*NC1=CC=C(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N*)cc2)CC1,,0.35797409,,,
+1132744464,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)CCCCC2)cc1,,0.3621841,,,
+1132763612,*C=Cc1ccc(C=Cc2cc(*)ncn2)cc1,84.80053451,,,,
+1132889582,*Oc1ccc(-c2ccc(OC(=O)c3cccc(Oc4ccc(C(*)=O)cc4)c3)cc2)cc1,89.5930824,,,,
+1132923909,*CCCCCCCCCCCC(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)cc1,,0.34726599,,,
+1133044696,*CC#CCOC(=O)CCCCCCCCCCC(=O)O*,,0.36542527,,,
+1133390257,*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc(NC(=O)c6cc(C(=O)Nc7ccc(Oc8ccc9nc(-c%10ccccc%10)c(*)nc9c8)cc7)cc(N7C(=O)c8c(Cl)c(Cl)c(Cl)c(Cl)c8C7=O)c6)cc5)ccc4nc3-c3ccccc3)cc2)cc1,,0.38426551,,,
+1133455490,*CCCCCCOC(=O)c1cc(OCCCCCCOc2ccc(N=Nc3ccc(C#N)cc3)cc2)cc(C(=O)OCCCCCCN2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.35250141,,,
+1133460389,*CCCCCCOC(=O)C(CCCCCCP(=O)(OCC)OCC)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.3621374,,,
+1133515947,*Nc1cccc(NC(=O)Nc2ccc(Cc3ccc(NC(*)=O)cc3)cc2)c1,,0.34788989,,,
+1133631248,*CC(*)(C)C(=O)OCc1ccc2c(c1)OCCOCCOCCOCCO2,,0.34634532,,,
+1134375146,*Nc1cc(N*)c2c(=O)[nH]c3c(N)cc(N)c4c(=O)[nH]c1c2c34,,0.33153693,,,
+1134601529,*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32618869,,,
+1134713599,*Nc1ccc(N*)c2c(=O)n([C@H]3C(=O)NC(=O)[C@@H](N)C3(N)N)c(C)nc12,,0.34495062,,,
+1134997266,*C(OC)=C(OC)c1ccc(*)s1,,0.371067,,,
+1135072955,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(S(=O)(=O)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.36903562,,,
+1135542546,*CCCC1(CCCNC(=O)c2ccccc2-c2ccccc2C(=O)N*)c2ccccc2-c2ccccc21,,0.35838113,,,
+1135550271,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(*)c(C(F)(F)F)c5)cc4)cc3C(F)(F)F)cc2)cc1,,0.37975744,,,
+1135788027,*CC(*)OC(=O)c1ccccc1OC(C)=O,,0.33486317,,,
+1135838417,*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)cc1,,0.34392183,,,
+1136024156,*CCN(CCCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1)CCOC(=O)NCCCCCCNC(=O)O*,,0.34321902,,,
+1137226558,*CC(*)(C)C(=O)OCCCCCC(=O)Oc1ccc(OC(=O)c2ccc(OCCCCC)cc2)cc1,,0.34489175,,,
+1137323137,*OC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)OC3CC4CC(*)CC(C3)O4)cc2)cc1,,0.34709392,,,
+1137418125,*C=CCC(C*)c1ccccc1,,0.38727971,,,
+1137724791,*CC(*)c1ccc2c(c1)OCO2,,0.3514226,,,
+1138085523,*C(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.35288587,,,
+1138097304,*CC(*)c1ccc(CCCCCCCCCCCCCCCCCC)cc1,,0.40382331,0.3751666666666667,0.844184922,13.54553558
+1138111441,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1c(C)cc(-c2cc(C)c(*)c(C)c2)cc1C,,0.4031994,,,
+1138356248,*Nc1ccc([C@@]2(C)CCc3ccc(N*)cc32)cc1,,0.35627346,,,
+1139097399,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(CCCCCCCCCCCC)C6=O)cc4)cc3)cc2)cc1,,0.37826557,,,
+1139542368,*Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc([Si](C)(C)c4ccc(C(=O)Nc5ccc(C(*)=O)cc5)cc4)cc3)cc2)cc1,,0.35485235,,,
+1139696241,*Nc1c(N*)c2ccc3ccc(C)c4c(C)c(C)c(c1C)c2c34,,0.34040386,,,
+1139986817,*CCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccc(F)cc2)c1,,0.34608545,,,
+1140194913,*CCCCCS*,-55.37860961,,,,
+1140956631,*CCCCCCN1C(=O)C(C)C(SCCOCCSC2C(=O)N(CCCCCCN3C(=O)CC(C)(SCCOCCSC4(C)CC(=O)N(*)C4=O)C3=O)C(=O)C2C)C1=O,,0.34774274,,,
+1141098203,*CC(*)(C)C(=O)Oc1cc(C)cc(C)c1,,0.36781222,,,
+1141104268,*CCCCNC(=O)CCCCCCC(=O)N*,,,0.2915,1.002012128,18.29004994
+1141363047,*c1ccc(C(=O)OCCCCCCCCCCOc2ccc(C=CC(=O)C=Cc3ccc(OCCCCCCCCCCOC(=O)c4ccc(-c5nnc(*)o5)cc4)cc3)cc2)cc1,,0.36732562,,,
+1141791290,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(Oc4cccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)c6)cc5)c4)cc3)c1)C2=O,,0.35755231,,,
+1142382691,*c1ccc(Cc2ccc(N3C(=O)C(Cl)=C(Oc4ccc(C(c5ccc(OC6=C(Cl)C(=O)N(*)C6=O)cc5)(C(F)(F)F)C(F)(F)F)cc4)C3=O)cc2)cc1,,0.36436728,,,
+1142386049,*C=CC1CC(*)C2C(=O)N(c3ccc(Cl)cc3)C(=O)C12,,0.38672628,,,
+1142561667,*CC(*)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],,0.48421101,,,
+1142759458,*c1c(C)cc(-c2cc(C)c(N3C(=O)c4cccc(Oc5ccc(C(C)(C)c6ccc(Oc7cccc8c7C(=O)N(*)C8=O)cc6)cc5)c4C3=O)c(C)c2)cc1C,,0.38334817,,,
+1142909412,*N=P1(*)Oc2ccccc2-c2ccccc2O1,,0.36981013,,,
+1143081598,*O[Si](*)(C)CCCOCC1COC(=O)O1,,0.34240927,,,
+1143098154,*c1ccc(Sc2cc3c(cc2Sc2ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc2)C(=O)N(CCCCCCCCCCCCCCCC)C3=O)cc1,,0.37283494,,,
+1143195068,*c1ccc(OCCN(CCOc2ccc(-c3nc4ccc(Oc5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3C)cc2)cc1,,0.38224032,,,
+1143212466,*OC1CCC(OC(=O)CCCCCCC(*)=O)CC1,-35.83964331,,,,
+1143308077,*CCCNS(*)(=O)=O,,,,1.368480015,21.72486866
+1143554851,*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F,,0.32963325,,,
+1143744739,*Nc1cccc(C(=O)c2ccc(NC(=O)c3cccc(C(=O)c4ccc(C(*)=O)cc4)c3)cc2)c1,,0.35096229,,,
+1144028367,*Nc1ccc(CC(C)(C)NC(=O)CCCCC(*)=O)cc1,,0.34067775,,,
+1144294791,*c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3cccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)c3)c1)C2=O,,0.34340133,,,
+1144375159,*c1ccc(-c2sc(-c3cc(CCCCCCCC)c(*)s3)cc2CCCCCCCC)cc1,,0.42872185,,,
+1144377193,*C(=O)Nc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc4[nH]c(-c5cccc(-c6nc7cc(*)ccc7[nH]6)c5)nc4c3)c2)c1,,0.36420228,,,
+1144496929,*CC(C)(CO*)COCCOCCOCCOC,,0.36052012,,,
+1144952297,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6)cc5)cc4)cc3)cc1)C2=O,,0.37284844,,,
+1145064910,*Nc1ccc(C2=CC[C@@H](c3ccc(N*)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1,,0.37225779,,,
+1145617844,*Nc1ccc([C@@H]2C=C(C(C)C)C=C[C@@]2(c2ccc(N*)cc2)C(C)C)cc1,,0.36697228,,,
+1145796233,*Nc1ccc(S(=O)(=O)c2ccc(N*)cc2)cc1,,0.33955438,,,
+1146375572,*CC(*)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,,0.34757807,0.176,1.113470646,10.67770667
+1146618065,*CCCCCCOC(=O)OCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.34934036,,,
+1146876238,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.34824049,,,
+1146896045,*CCCNC(=O)Cc1ccc(C(=O)N*)cc1,,0.32374161,,,
+1147140569,*c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37624478,,,
+1147168409,*CCCCCC(=O)N*,,0.34031759,0.301,,
+1148404116,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2Br)c(Br)c1,,0.40092491,,,
+1148596222,*CC(*)(C)C(=O)OCCCOc1ccc(C(=O)Oc2ccc3ccc(=O)oc3c2)cc1,,0.32418426,,,
+1148927533,*CCCCCOC(=O)OCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.33350028,,,
+1148967455,*Nc1ccc2ccc3c(-c4ccc5ccc6ccccc6c5c4N*)cccc3c2c1,,0.35015279,,,
+1149199303,*CC(*)(C)C(=O)OCC=C,,0.34181464,,,
+1149265769,*NCc1cccc(N*)c1,,0.32297138,,,
+1150009994,*CC(*)(CCC(C)C(=O)OC)C(=O)OC,,0.33779719,,,
+1150049230,*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C5(c6ccc(*)cc6)C6CC7CC(C6)CC5C7)cc4)cc3)c3ccccc23)cc1,,0.37034563,,,
+1150090312,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(-c4nc5ccccc5s4)cc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc1,,0.37132377,,,
+1150209468,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(OCCCCCCCC)c(*)cc3OCCCCCCCC)ccc1-2,,0.40970568,0.291,0.863900052,18.18381296
+1150286039,*Nc1ccc2c(c1N*)[C@H](c1ccccc1)c1ccccc1-2,,0.35924295,,,
+1150417190,*C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(N4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(c6ccc(-c8nc9cc(*)ccc9nc8-c8ccccc8)cc6)C7=O)cc5C4=O)cc3)nc2c1,,0.40701998,,,
+1150491517,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)c2ccccc2C(=O)O[Na])cc1,169.1341304,,,,
+1150533909,*O[Si](*)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.3677149,,,
+1150855035,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCCC)cc2)cc1,14.67015775,,,,
+1150964358,*Nc1ccc(-c2c(Cc3ccccc3)c(Cc3ccccc3)c(N*)c(Cc3ccccc3)c2Cc2ccccc2)cc1,,0.36853875,,,
+1151260550,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ncc(*)s5)C6=O)cc4C3=O)cc2)cc1,,0.39445531,,,
+1151287804,*c1ccc(-c2ccc(-c3cc(-c4ccc(Oc5ccc(-c6ccccc6)cc5)cc4)c4cc(-c5ccc6nc(*)cc(-c7ccc(Oc8ccc(-c9ccccc9)cc8)cc7)c6c5)ccc4n3)cc2)cc1,,0.38807327,,,
+1151566525,*CC#CC#CCOc1ccc(C(=O)OCCN(CCOC(=O)c2ccc(O*)cc2)c2ccc(N=Nc3ccc(N=Nc4cc(C)c(C#N)c(C)c4)cc3)cc2)cc1,,0.37555317,,,
+1151772971,*CCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2C)c(C)c1,,0.36167035,,,
+1152245354,*Nc1ccc([C@@H](CCCCC)c2ccc(CCc3ccc([C@H](CCCCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36934253,,,
+1152269820,*c1ccc(Oc2ccc(N3C(=O)C(c4ccccc4)=C(c4ccc(C5=C(c6ccccc6)C(=O)N(*)C5=O)cc4)C3=O)cc2)cc1,,0.39159291,,,
+1152453728,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.36801205,,,
+1152527958,*CCCOC(=O)c1cc(N=Nc2ccc(OCC)cc2)ccc1-c1ccc(N=Nc2ccc(OCC)cc2)cc1C(=O)O*,,0.36910686,,,
+1153123442,*c1ccc2c(c1)C(=O)N(c1c(C)cc(C)c(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1C)C2=O,,0.4222629,,,
+1153144775,*Nc1ccccc1-c1ccc(NC(=O)c2cccc(C(*)=O)c2)cc1,,0.34730716,,,
+1153274738,*C(=O)c1ccc(N=Nc2ccc(C(=O)N3C(=O)N(*)C4(CCCC4)C3=O)cc2)cc1,17.25361376,,,,
+1153424706,*Nc1c(C)c(N)c(N)c(NS(=O)(=O)C(C)(CC)CC)c1N*,,0.33683103,,,
+1153616490,*Nc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N*)cc3)c3c2[C@H]2c4ccccc4[C@@H]3c3ccccc32)cc1,,0.36285875,,,
+1153834877,*CCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,,0.37018411,0.367,0.913177976,25.33874374
+1153885240,*CC(=O)NCCCCCCNC(=O)CCc1ccc(O*)cc1,,0.33856885,,,
+1154018955,*CC(*)n1c2ccccc2c2c3ccccc3ccc21,,0.36652293,,,
+1154163429,*Oc1ccc(N=Nc2c(C)cc(Cc3cc(C)c(N=Nc4ccc(OC(=O)c5ccc(C(*)=O)cc5)cc4)c(C)c3[N+](=O)[O-])c([N+](=O)[O-])c2C)cc1,,0.36435194,,,
+1154938499,*CCCP(CCCNC(=O)CCCCC(=O)N*)CC(C)C,,0.35350822,,,
+1155135793,*CC(C)(CO*)COCCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.37119619,,,
+1155257724,*Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N*)cc4)cc3)cc2)cc1,,0.35032863,,,
+1155325628,*CCCCCCCCCCCCCCCCCCCCc1nnc(*)o1,,,0.398,0.88997462,21.82969596
+1155566609,*CCCCCCCCCOC(=O)C(O)C(O)C(=O)O*,,0.33968364,,,
+1155913960,*CCN(C)C(=O)CCCCCCCCC(=O)N(*)C,,0.35452131,,,
+1156088794,*CCCS(=O)(=O)CCCCS(=O)(=O)CCCOC(=O)c1cccc(C(=O)O*)c1,,0.35593374,,,
+1156094009,*Nc1ccc2c(c1)C1(C(C)=C2C)C(C)=C(C)c2ccc(N*)cc21,,0.39134226,,,
+1156161130,*Nc1ccc(C2=CC[C@@](N*)(c3ccccc3)C=C2)cc1,,0.34164757,,,
+1156532186,*C([2H])([2H])C(*)([2H])c1c([2H])c([2H])c([2H])c([2H])c1[2H],,0.38844688,0.199,0.93861698,15.86735299
+1156634940,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4cccc5cccc(C(=O)c6ccc(*)cc6)c45)cc3)cc2)cc1,,0.37726443,,,
+1156665768,*c1cc(C(=O)Oc2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc2)cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.39199576,,,
+1156796148,*Nc1ccc(C2=CC[C@H](c3ccc(N*)cc3)[C@H]2c2ccccc2)cc1,,0.35771822,,,
+1156980921,*CCc1cccc(*)c1,,0.37970446,,,
+1157376824,*C(=O)OCCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.34823376,,,
+1157422620,*C=Cc1ccc(OC(=O)c2ccc(C(=O)Oc3cccc4ccc(*)nc34)cc2)cc1,,0.35224005,,,
+1157657223,*c1ccc(Oc2ccc(Oc3ccc(-c4cnc5cc(-c6ccc7nc(*)cnc7c6)ccc5n4)cc3)cc2)cc1,,0.39204345,,,
+1158192712,*OC(=O)C(CCSC)NC(=O)CCCCC(=O)NC(CCSC)C(=O)OC1COC2C(*)COC12,,0.34425455,,,
+1158201779,*C(=O)Nc1ccc(NC(=O)c2ccc3[nH]c(-c4cc(-c5nc6cc(*)ccc6[nH]5)cc(N5C(=O)c6ccccc6C5=O)c4)nc3c2)cc1,,0.3726693,,,
+1158220592,*CC(=O)C(*)c1ccc(C(C)(C)C)cc1,,0.38642464,,,
+1158703899,*CCOCCOCCN1C(=O)c2ccc(C(=O)Oc3ccc(C(C)(C)c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34462113,,,
+1158783004,*CC(OC=O)C(COC(=O)O*)OC=O,,0.27866603,,,
+1158854097,*CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCO*,,,0.3245,0.954616145,20.55029983
+1158896668,*CCOC(=O)CCC(=O)O*,,0.31070608,,,
+1159125442,*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F,,0.3160919,,,
+1159254929,*CCCCCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.35013256,,,
+1159550508,*CCCCCCCCOC(=O)NCc1ccc(CNC(=O)O*)cc1,-25.31417235,,,,
+1159696305,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccccc7Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,,0.36819358,,,
+1159981352,*Oc1ccc(Oc2ccc(C(C)=Nc3ccc(Oc4ccc(N=C(C)c5ccc(*)cc5)cc4)cc3)cc2)cc1,117.5082044,,,,
+1160560393,*c1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(S(*)(=O)=O)c2)c1,,0.34373731,,,
+1160783446,*NC1CC(C)(C)CC(C)(CNC(=O)c2cc(NC(=O)c3ccc(NC(=O)C(CC(C)C)N4C(=O)c5ccccc5C4=O)cc3)cc(C(*)=O)c2)C1,195.2683571,,,,
+1160809525,*CC(*)(C)C(=O)OC1CC(C)CC(C)(C)C1,,0.38218681,0.146,0.860209573,10.34521471
+1161122757,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.34547985,,,
+1161267582,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.3933978,,,
+1161429718,*Nc1ccc([C@H](CCC)c2ccc(C[C@H](CC)c3ccc([C@@H](CCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36752092,,,
+1161669930,*C1CC2C3CCC(C3)C2C1*,,,,0.88601111,12.5969108
+1161685710,*Nc1ccc(C(=C)[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1N*,,0.35093584,,,
+1161927023,*C(=O)c1ccc2c(c1)C(=Nc1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N=C6OC(=O)c7ccc(*)cc76)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)OC2=O,,0.36045189,,,
+1162303824,*Oc1ccc(C(=O)c2cccc(NC(=O)c3cccc(C(=O)Nc4ccc(C(=O)c5ccc(*)cc5)cc4)c3)c2)cc1,,0.35641643,,,
+1162525545,*C=CCCCCCCCCCC*,,0.40688317,,,
+1162986011,*CCCCCCOC(=O)c1cc(OCCCCCCOc2ccc(N=Nc3ccc(C#N)cc3)cc2)cc(C(=O)OCCCCCCN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.35666694,,,
+1163047718,*c1c(C)cc(-c2cc(C)c(N3C(=O)c4ccc(Oc5c(C)cc(Cc6cc(C)c(Oc7ccc8c(c7)C(=O)N(*)C8=O)c(C)c6)cc5C)cc4C3=O)c(C)c2)cc1C,,0.40667295,,,
+1163052769,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1-c1cccc(C(F)(F)F)c1,,0.38193114,,,
+1163216608,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(C(=O)Oc2ccccc2)c1,,0.34066113,,,
+1163273261,*Nc1ccccc1-c1ccc(N*)c(-c2ccccc2)c1,,0.34288507,,,
+1164865014,*CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O*,,0.37375344,,,
+1164892547,*Nc1ccc(Cc2ccc(NC(=O)c3cc(C(*)=O)cc(S(=O)(=O)c4ccccc4)c3)cc2)cc1,,0.35674478,,,
+1165921168,*CC(*)C(=O)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,,0.34152411,,,
+1166008818,*ON(C(F)(F)F)C(F)(Br)C(*)(F)F,,0.34640325,,,
+1166293848,*NC(CCCCNC(=O)NCCCCNC(*)=O)C(=O)OC,0.336556425,,,,
+1166324163,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)C5CCC6C(=O)N(*)C(=O)C6C5C4=O)cc3)cc2)cc1,,0.36688453,,,
+1166598350,*Nc1ccc2cc3ccccc3cc2c1N*,,0.33917986,,,
+1166612863,*c1ccc(CC(=O)Nc2cccc(NC(=O)Cc3ccc(-c4sc(*)c(-c5ccccc5)c4-c4ccccc4)cc3)c2)cc1,,0.3789381,,,
+1166758072,*CCOc1ccc(C2(c3ccc(OCCO[Si](O*)(c4ccccc4)c4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.36865547,,,
+1167306747,*CC(*)c1ccc(Cl)cc1Cl,,,0.1006666666666666,1.218576983,14.20802348
+1167512472,*CCCN(*)C,,0.38665346,,,
+1168402050,*Oc1ccc(OC(=O)/C=C/c2ccc(/C=C/C(*)=O)cc2)cc1,,0.34258266,,,
+1169343082,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.38545958,,,
+1169485252,*Oc1ccc(Oc2ccc(C=NCCN=Cc3ccc(*)cc3)cc2)cc1,,0.37614959,,,
+1169539258,*CC(*)(CC(=O)OC)C(=O)O,,0.27558304,,,
+1169677958,*CCCCCCOCO*,-41.68464364,,0.278,,
+1169871864,*CC(*)c1ccccc1C(=O)O,,0.32924433,,,
+1169954236,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3cc(C(C)(C)C)c(Oc4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3C(C)(C)C)cc1)C2=O,,0.41309361,,,
+1170082688,*CCCCCCCCCCNC(C)=N*,,0.39022876,,,
+1170368720,*Nc1cc(NC(=O)Nc2ccc(CCc3ccccc3NC(*)=O)cc2)ccc1C,,0.34797387,,,
+1170403788,*c1ccc(OCCOCCOCCOc2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.33992834,,,
+1170534949,*Nc1c(C(C)C)cc(C2(c3cc(C(C)C)c(N*)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C,,0.41778352,,,
+1171030201,*Oc1ccc(C(C#N)(c2ccccc2)c2ccc(OC(*)=O)cc2)cc1,,0.36601192,,,
+1171188982,*Nc1ccc(N*)c(-c2c(-c3ccccc3)ccc3ccccc23)c1,,0.35686225,,,
+1171923773,*Nc1ccc([C@H](C)c2ccc(C(CCCC)c3ccc([C@@H](C)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36515652,,,
+1171970548,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5C(F)(F)F)cc4)n3)cc2)c(C(F)(F)F)c1,,0.35861377,,,
+1173339618,*CC(*)C(N)=O,,0.23763722,,,
+1173467294,*Cc1ccc(COP(=O)(N=Nc2ccc(C(=O)c3ccc(N=NP(=O)(O*)OC)cc3)cc2)OC)cc1,,0.35518082,,,
+1173471549,*CC(*)C(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,-148.0297376,,,,
+1173729020,*CC=C(C)CS(*)(=O)=O,,0.37474397,,,
+1174292255,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,,0.37288957,,,
+1174531602,*Nc1ccccc1Sc1ccccc1N*,,0.34070371,,,
+1174602411,*Nc1ccc(Cc2cc(C(C)C)cc(C(C)(C)c3ccc(N*)cc3)c2)cc1,,0.36692867,,,
+1175231244,*C(F)(F)C1(F)C(F)(F)C(*)(F)C1(F)F,,0.34723685,,,
+1175281698,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(C)(c3ccc(C(*)=O)cc3)CC4(C)C)cc2)cc1,,0.37916583,,,
+1175337954,*C(=O)N1C(=O)N(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)C(C)(C)C1=O,,0.37117268,,,
+1175753193,*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)c(-c2ccccc2)c1,,0.35913328,,,
+1175936826,*CCN(CCOC(=O)c1ccc(C(=O)O*)cc1)c1ccc(N=Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3CC)cc2)cc1,,0.36628188,,,
+1176059607,*CC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.33775225,,,
+1176518490,*CC(*)CCCCCCCCC,,,0.3193333333333333,0.79444681,10.8952526
+1177030933,*CC1CC(*)C(=O)OC1=O,,0.29067637,,,
+1177244369,*CCCCCCNC(=O)c1ccccc1-c1ccccc1C(=O)N*,,0.34846301,,,
+1177484221,*c1cc(C(=O)Nc2ccc(-c3nnc(*)o3)cc2)cc(N2C(=O)c3ccccc3C2=O)c1,,0.3700457,,,
+1177560732,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CC(C)CCC(*)=O)cc2)C(=O)OCC)cc1,,0.33783278,,,
+1177876091,*Nc1ccc(C(c2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,,0.36614746,,,
+1178071397,*CC(O)CN(*)c1cc(C)c(N=Nc2ccc([N+](=O)[O-])cc2)c(C)c1,,0.36660744,,,
+1178419855,*c1ccc2c(c1)C(=O)N(c1cc(C(=O)Nc3c(C)cc(-c4cc(C)c(NC(=O)c5ccc(C)c(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)c(C)c4)cc3C)ccc1C)C2=O,,0.38149095,,,
+1178529764,*CCCCCCCCCCNC(=O)CCCCCCC(=O)N*,,,0.422,0.946533099,22.25983328
+1178789985,*Nc1ccc(-c2ccccc2Cc2ccccc2-c2ccc(N*)cc2)cc1,,0.351946935,,,
+1179116190,*CC(*)(C)C(=O)Oc1ccc(C(C)(C)C)cc1,,0.38346494,0.181,0.896405025,11.99542846
+1179190627,*c1ccc(*)n1C(C(=O)NO)n1ccc2ccccc21,180.3082327,,,,
+1179272125,*c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3cccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)c3)c1)C2=O,,0.34613604,,,
+1179363034,*C(C)=C(*)SCCCCCCCCCC,,0.40626048,,,
+1179731134,*CCOCCOC(=O)CCCCCCCCCCC(=O)O*,,0.35940014,,,
+1179754286,*OC(=O)OCCCCCCOC(=O)OC1COC2C(*)COC12,,0.33128506,,,
+1180333206,*CCCCNC(=O)CCCCC(=O)N*,,0.32958527,0.302,1.040711554,18.074599
+1180480883,*NNC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ncccc2C)C3=O)cc(C(=O)NNC(=O)C(*)=O)c1,,0.32332887,,,
+1180503880,*CCCCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCCCCOc3ccc(CCc4ccc(O*)cc4)cc3)CC2)CC1,,0.36064219,,,
+1180568340,*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)CCCCC2)cc1,,0.36356124,,,
+1180738924,*OP(=O)(Oc1cccc2c(*)cccc12)OC1CCCCC1,,0.36283438,,,
+1181185977,*Nc1ccc2c(CC=C)c3c(CC=C)c(N*)ccc3cc2c1,,0.34493349,,,
+1181407570,*c1cc(Oc2c(C)cc(-c3cc(C)c(Oc4cc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc(C(F)(F)F)c4)c(C)c3)cc2C)cc(C(F)(F)F)c1,,0.38333986,,,
+1181944068,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3c(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(OCCCCCCOc5ccc(-c6cc(-c7ccc(-c8ccccc8)cc7)c(-c7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)c(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)cc3-c3ccc(-c4ccccc4)cc3)cc1)C2=O,,0.37259523,,,
+1182108104,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cc(C(F)(F)F)cc(N5C(=O)c6ccc(*)cc6C5=O)c3Oc3ccc(C(F)(F)F)cc3)C4=O)cc2-c2ccccc2)c(-c2ccccc2)c1,,0.3736737,,,
+1182258858,*NN[C@@H](N*)[C@H](O)C(N)N,,0.29561057,,,
+1182569183,*CC(OCC)C(C)(C(=O)OC)C(*)(C)C(=O)OC,,0.35110044,,,
+1182679846,*CCCO*,,,0.296,,
+1182712915,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)c4ccccc4C(=O)O)cc3)cc2)cc1,,0.37097336,,,
+1182822577,*c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5nc(*)cc(-c6ccccc6)c5c4)ccc3n2)cc1,,0.42908191,,,
+1182969887,*c1ccc(C(=O)Nc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(NC(=O)c6ccc(N7C(=O)c8ccc(-c9cccc%10c9C(=O)N(*)C%10=O)cc8C7=O)cc6)cc5)cc4)cc3)cc2)cc1,,0.35960225,,,
+1183558225,*c1ccc(-c2nc3ccc(Oc4ccc(Oc5ccc(P(=O)(c6ccccc6)c6ccc(Oc7ccc(Oc8ccc9nc(*)c(-c%10ccccc%10)nc9c8)cc7)cc6)cc5)cc4)cc3nc2-c2ccccc2)cc1,,0.40210863,,,
+1183565625,*C=CCCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCCCCCC,,0.39011499,,,
+1183988874,*OC(=O)c1ccc(N=Nc2ccc(C(=O)OC3COC4C(*)COC34)cc2)cc1,,0.35808986,,,
+1184109682,*OC(=O)C(NC(=O)CCCCC(=O)NC(C(=O)OC1COC2C(*)COC12)C(C)CC)C(C)CC,,0.34256683,,,
+1184454690,*CCCNC(=O)CCCCC(=O)NCCCO*,,0.33205833,,,
+1184730423,*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)c(C)c3)c3ccccc3-c3ccccc32)cc1C,,0.39753607,,,
+1185510088,*Nc1cc2c(cc1C)[C@H]1c3cc(C)c(N*)cc3[C@@H]2[C@H]2CCCC[C@H]12,,0.3950421,,,
+1185605956,*c1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2)cc1,,0.35953155,,,
+1185913675,*c1ccc(Oc2ccc(N3C(=O)CC(C4C=C(C)C5C(=O)N(*)C(=O)C5C4)C3=O)cc2)cc1,,0.36657642,,,
+1186098894,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(CC3CCCCC3)CC2)cc1,,0.36004283,,,
+1186143208,*CCCCOC(=O)CCCCCNC(=O)O*,47.28425166,,,,
+1186744234,*CCCc1ccc(-c2c(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.4003854,,,
+1186809405,*CCN(CCOC(=O)c1ccc(C(=O)O*)c(OC)c1)c1ccc(N=Nc2ccc(C=Cc3nc4ccc([N+](=O)[O-])cc4n3CC)cc2)cc1,,0.35606018,,,
+1187123244,*C/C=C\COC(=O)NCCCCCCNC(=O)O*,,0.32961119,,,
+1187202232,*CC(*)(C(=O)OC)c1ccccc1,,0.36467404,0.1426666666666667,0.964628447,13.63274404
+1187350081,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C7(c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)NC(=O)c8ccccc87)cc6)cc4)C5=O)cc3)cc2)cc1,,0.36132612,,,
+1188020715,*CCCCCOC(=O)CCCCCCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(CCCCCCCCCCC(=O)OCCCCCN4C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C4=O)C5=O)cc3)cc2C1=O,,0.34769791,,,
+1188519956,*CC(*)C1CC1,,,0.2175,0.863629462,14.17497209
+1188842959,*CC(*)c1ccc(C)cc1,,,0.1873333333333333,0.869468057,14.54352841
+1188921734,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Nc3nc(Nc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)nc(N(c4ccccc4)c4ccccc4)n3)c1)C2=O,,0.38475396,,,
+1189256579,*CCOCCOCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.34164497,,,
+1189403071,*CC(O)COc1ccc(C(C)CC(C)(C)c2ccc(O*)cc2)cc1,,0.35423541,,,
+1189744629,*CC1CC1COC(=O)c1cccc(C(=O)O*)c1,10.23490017,,,,
+1190275023,*c1ccc(NC(=O)CCCCCC(=O)Nc2ccc(S(*)(=O)=O)cc2)cc1,,0.3393363,,,
+1190316839,*Oc1ccc(C(=O)OC(C)COC(=O)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.33682987,,,
+1190678672,*CC(*)c1ccc([Si](C)(C)C)cc1,,0.43524245,,,
+1190710133,*Nc1ccc(-c2ccc3cc4ccc(-c5ccc(N*)cc5)cc4cc3c2)cc1,,0.34703567,,,
+1190953274,*CCCCCCCCCCNC(=O)c1ccc(C(=O)N*)c(Sc2ccccc2)c1,,0.36364477,,,
+1191042202,*CC(*)C(=O)OCCn1c2ccccc2c2ccccc21,,0.35947428,,,
+1191663733,*Oc1ccc(Oc2ccc(C(=O)c3cccc4cccc(C(=O)c5ccc(*)cc5)c34)cc2)cc1C(C)(C)C,,0.38686999,,,
+1191731244,*CC=CC(CC)S(*)(=O)=O,,0.38724825,,,
+1191831125,*CC(*)OC(=O)c1ccc(C(C)C)cc1,,0.37812553,,,
+1192232068,*C(=O)Nc1ccc(-c2sc(-c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6sc(-c7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)c(-c7ccccc7)c6-c6ccccc6)cc4)C5=O)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.41434744,,,
+1192456163,*Nc1ccc(/C(=C\C/C(=C/C(C)(C)c2ccc(N*)cc2)c2ccc(N)cc2)CC(C)(C)c2ccc(N)cc2)cc1,,0.35963898,,,
+1192553911,*c1ccc2oc(-c3ccc(-c4nc5cc(C(*)(C(F)(F)F)C(F)(F)F)ccc5o4)cn3)nc2c1,,0.44520367,,,
+1192592037,*Oc1cccc(NC(=O)c2ccc([Si](C)(C)c3ccc(C(*)=O)cc3)cc2)c1,,0.36668921,,,
+1192958446,*c1cccc(N2C(=O)c3ccc(Oc4ccccc4Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.36147212,,,
+1193670213,*CCC[Si](*)(c1cccc2ccccc12)C1CCCCC1,,0.38478574,,,
+1193720815,*CC(*)C(C)c1ccccc1,,,0.1506666666666666,,
+1193815432,*Nc1ccc2c(N*)cc3cccc4ccc1c2c43,,0.33523592,,,
+1193899229,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(N(c3ccccc3)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.40964735,,,
+1194500574,*Nc1cc2c3c(c1N*)C(C)(C)C(C)(C)[C@@]3(C)C(C)(C)C2(C)C,,0.36944886,,,
+1194503224,*CC(*)C(=O)Oc1cccc(N(C)C)c1,,0.36366436,0.221,1.096542432,12.53190731
+1195238736,*Nc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1c-2cc(-c2ccccc2)c(N*)c1-c1ccccc1,,0.38640294,,,
+1195485493,*c1cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c(O)cc1O,,0.36305869,,,
+1196350517,*CC(*)(C)C(=O)Oc1cc(C)ccc1C,,0.36692261,,,
+1197069937,*C*,-2.526682925,0.40967205,,0.811251102,24.4363295
+1197104268,*CC/C=C(/*)C,,,0.256,,
+1197180422,*CCCCC(=O)O*,,0.3399073,,,
+1197310078,*CCCCCCCCCCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(O*)cc4)cc3)cc2)cc1,,0.38946721,,,
+1198345617,*OP(=O)(Oc1ccc(C(C)(C)c2ccc(*)cc2)cc1)Oc1c(Cl)cccc1Cl,,0.36463475,,,
+1199431647,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6c5)cc3)C4=O)cc2)cc1,,0.35646665,,,
+1199538165,*Nc1ccccc1C1(c2ccccc2N*)c2ccccc2-c2ccccc21,,0.37077531,,,
+1199796903,*CCCCCCCCC(=O)NCCCCCCNC(=O)CCCO*,,,0.286,0.961251471,18.75749252
+1200344407,*Nc1ccc([C@]2(C)CCc3cc(N*)ccc32)cc1,,0.35515271,,,
+1200465842,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c(C)c2)cc1,,0.37233946,,,
+1200924510,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(Sc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.3674231,,,
+1201052937,*CCCCCNC(=O)O*,-13.55087665,,0.268,1.071824251,20.62252342
+1201572278,*c1ccc(-c2nnc(*)o2)c(OCCCCC)c1,,0.42893237,,,
+1201617221,*c1ccc(-c2sc(-c3cc(SCCCC)c(*)s3)cc2SCCCC)cc1,,0.50761848,,,
+1201779173,*Nc1ccc(C2(c3ccc(N*)cc3)C=CC(c3ccccc3)C=C2)cc1,,0.3550972,,,
+1202036659,*Nc1cccc(-c2c3ccccc3c(-c3cccc(N)c3N)c3ccccc23)c1N*,,0.35466159,,,
+1202039443,*CC(COCC)O*,,0.37418551,,,
+1202357620,*CC(*)C(=O)OCCC(C)OC,,0.35734175,0.212,1.002966511,13.18729468
+1202772120,*Nc1ccc(NC(=O)c2cc(C(=O)c3ccc(C(=O)O)c(C(*)=O)c3)ccc2C(=O)O)cc1,,0.31519377,,,
+1202816034,*Oc1ccc(C(C)=Cc2ccc(OC(=O)CCCCCCCCCCC(*)=O)cc2)cc1,6.458707655,,,,
+1202982181,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.35549527,,,
+1203408030,*Nc1ccc(/C=C/c2ccc(/C=C/c3ccc(N*)cc3)c3ccccc23)cc1,,0.3544734,,,
+1203525380,*CC(*)(CC)C(=O)OCC,,0.36305897,0.145,0.864397975,12.48037065
+1203570548,*Nc1cc2c(cc1N*)C(C)(C)C(C)C2(C)C,,0.36621378,,,
+1203599832,*CCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.34816577,,,
+1203618670,*CCCCCCOP(=O)(N=Nc1ccc(Oc2ccc(N=NP(=O)(O*)OC)cc2)cc1)OC,,0.36018857,,,
+1204067122,*Sc1ccc(C(=O)c2ccc(C(c3ccc(C(=O)c4ccc(*)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38438273,,,
+1204134441,*CCCCCCOC(=O)CCCCSCCCCC(=O)O*,,,0.224,,
+1204249965,*CC(*)CC(C)(C)C,,0.39627266,0.1735,0.748691234,11.55027129
+1204523273,*c1cc(CCCCOC(=O)CCC)c(*)s1,,0.38073142,,,
+1204736801,*N=Nc1ccc(Nc2ccc(C(=O)c3ccc(C(=O)c4ccc(Nc5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.38946168,,,
+1204898498,*Oc1ccc(N=CC=Nc2ccc(OC(=O)NCCCCCCNC(*)=O)cc2)cc1,,0.34892214,,,
+1205044664,*Nc1ccc(C2(c3ccc(N*)cc3C)c3ccccc3-c3ccccc32)c(C)c1,,0.37196959,,,
+1205228260,*c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36808729,,,
+1205655131,*CC(*)(C)C(=O)OCCCCCCCCCCn1c2ccccc2c2cc(C=C(C#N)C(=O)OC)ccc21,,0.36253093,,,
+1205814834,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCC(*)C,,0.43174845,,,
+1205844020,*C(F)(F)C1(F)C(F)(F)C(*)(F)C(F)(F)C(F)(F)C1(F)F,,0.31955151,,,
+1205846674,*c1ccc(-c2ccc(-c3nc4cc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(C(c8ccc(N9C(=O)c%10ccc(C(=O)Nc%11ccc(Oc%12ccc%13nc(-c%14ccccc%14)c(*)nc%13c%12)cc%11)cc%10C9=O)cc8)(C(F)(F)F)C(F)(F)F)cc6)C7=O)cc5)ccc4nc3-c3ccccc3)cc2)cc1,,0.38363567,,,
+1206071463,*CC(*)(C)C(=O)OCCN(CC)c1ccc(N=Nc2ccc(S(C)(=O)=O)cc2)cc1,,0.37573,,,
+1206416017,*CC(*)C(=O)NC(C)(C)C,,0.37998182,0.199,0.889061076,12.90682668
+1206915036,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(Oc4ccc5c(c4)C(C)(c4ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6C(F)(F)F)cc4)CC5(C)C)c(C(F)(F)F)c3)cc1)C2=O,,0.38854581,,,
+1207045788,*Nc1ccc(C(c2ccc(NC(=O)c3cc(C(*)=O)cc(C(C)(C)C)c3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,,0.37321457,,,
+1207110637,*c1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.3566638,,,
+1207409378,*C(C#N)=Cc1cc(C=C(C#N)c2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(*)ccc2-3)cc(N(c2ccccc2)c2ccccc2)c1,,0.41240529,,,
+1208726540,*CCCCCCNC(=O)/C=C/CC/C=C/C(=O)N*,2.127453311,,,,
+1208748565,*CC(*)C(=O)OCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36721657,,,
+1208847299,*C(=S)Nc1ccc(Oc2ccc(NC(=S)N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.35715427,,,
+1208969128,*Nc1cc(NC(=O)c2cccc(C(*)=O)c2)cc(-c2nnc(-c3ccccn3)o2)c1,,0.38233539,,,
+1209031692,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.36250996,,,
+1209050565,*CC(O)C(O)CN(*)c1ccc(N(C)C)cc1,,0.36101121,,,
+1209050682,*CCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O*,,0.38882843,0.49475,0.868453809,25.68405963
+1209057611,*C(=O)Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(NC(=O)Nc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.3459702,,,
+1209084809,*Oc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(OC(=O)c4ccc(C(*)=O)cc4-c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.38146128,,,
+1209928353,*CCCCCCCCOC(=O)NCCCCCCCCCCNC(=O)O*,24.78605928,,,,
+1210327805,*NC1CCC(CC2CCC(NC(=O)CCCCCCCCCCC(*)=O)CC2)CC1,,0.36732026,,,
+1210773764,*c1ccc(-c2cc(CCCCCCCC)c(-c3ccc(-c4ccc(-c5sc(-c6ccc([Si](*)(C)C)s6)cc5CCCCCCCC)s4)s3)s2)s1,,0.43305383,,,
+1210971861,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)CCC(c7ccccc7)CC6)cc5)cc4C3=O)cc2)cc1,,0.37299608,,,
+1211550700,*c1ccc(Oc2ccc(-c3cc(-c4ccccc4)c4cc(C5(c6ccc7nc(*)cc(-c8ccccc8)c7c6)c6ccccc6C(=O)c6ccccc65)ccc4n3)cc2)cc1,,0.42004547,,,
+1212285406,*NC1(N)C=C(C2=C(c3ccccc3)C(N)(N)[C@@](O)(N*)C(c3ccccc3)=C2)C=C[C@@]1(N)O,,0.3198717,,,
+1212362961,*Oc1c(C)cc(-c2cc(C)c(OC(=O)CCCCC(*)=O)c(C)c2)cc1C,,0.37060213,,,
+1212645329,*OCCCCOc1nc(*)nc(OC)n1,,0.3615296,,,
+1213234132,*COc1ccc(C=C2CCC(=Cc3ccc(OCc4nnc(-c5ccc(-c6ccc(-c7nnc(*)n7-c7ccccc7)cc6)cc5)n4-c4ccccc4)cc3)C2=O)cc1,140.326419,,,,
+1213369367,*CC(*)C(=O)Nc1ccccc1Cl,,0.34811254,,,
+1213893349,*NCC(C)CN*,,0.31971706,,,
+1213899080,*Nc1ccc2c(c1)C1(c3ccccc3-c3cc(C)ccc31)c1cc(N*)ccc1-2,,0.38631578,,,
+1214234223,*CCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,,0.38276992,0.3415,0.8954389,20.54848101
+1214356356,*CCCCCCCCCCCC(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)OC(=O)c3ccccc32)cc1,,0.35534379,,,
+1214422376,*CCN(*)C(=O)CCC(=O)OC,,0.31456612,,,
+1214923559,*CCCCCCCCCCCCCCCCCCCCOC(=O)C(=O)O*,,,0.3545,0.917519076,22.92381656
+1215056104,*Nc1c(N*)c(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1,,0.37007258,,,
+1215188002,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3ccc(Cc4ccc(Cc5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)cc4)cc3)c1)C2=O,,0.37158061,,,
+1215512335,*CCCCCCCCCCc1ccc(-c2c(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.39608248,,,
+1215694607,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4cccc5cccc(C(=O)c6ccc(*)cc6)c45)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37599895,,,
+1215820166,*Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccc(C(c5ccc(Oc6ccc(NC(=O)c7cc8cc(*)ccc8oc7=O)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2c1,,0.34746519,,,
+1216120038,*N=P(*)(OCCOC)OCCOC,,0.3536972,,,
+1216424248,*CCCCCCCCCCOC(=O)c1cccc(C(=O)O*)c1,,0.35874529,,,
+1217132738,*CC(*)(Cl)C(=O)OC(C)CC,,,0.174,1.057163419,14.79567929
+1217226410,*CC(*)C(=O)c1ccc(OC)cc1,,0.34949255,,,
+1217265261,*C(=O)Nc1ccc(C2(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CCCCC2)cc1,,0.3710893,,,
+1217496894,*NC(CCC(=O)OC)C(*)=O,,0.30960525,,,
+1217545349,*CC(*)C(=O)Oc1ccccc1Cl,,0.35897864,0.166,1.226889668,13.82994352
+1217713342,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)c4ccccc4-c4ccccc43)cc1)C2=O,,0.42161644,,,
+1217901314,*c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c3cccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)c3)c1)C2=O,,0.34717027,,,
+1218214236,*COC(=O)OC1C(*)OC2OC(C)(C)OC21,,0.33284068,,,
+1218861482,*OC(C)CCOC(=O)c1cccc(C(*)=O)c1,-42.28619333,,,,
+1219358292,*CCCCCCNC(=O)CC(C)(C)c1ccc(C(C)(C)CC(=O)N*)cc1,,0.35064905,,,
+1219579071,*c1cccc(OCCCCCCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.34538338,,,
+1219791952,*Nc1c2ccccc2c(-c2c3ccccc3c(N*)c3ccc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)c23)c2ccccc12,,0.37377403,,,
+1220036380,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(*)cc4)cc3)cc2N)c(N)c1,,0.36266828,,,
+1220421998,*Oc1ccc(Sc2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,,0.36425728,,,
+1220689198,*c1ccc(-c2ccc(*)nc2)cn1,138.2497069,,,,
+1220722345,*CC(*)OC(=O)c1ccccc1OC,,0.33690183,,,
+1220760786,*CCCCCCCCCCCCCCCCCCNC(=O)CCc1ccc(CCC(=O)N*)cc1,,0.37301777,0.3755,0.937104778,21.36882265
+1220908034,*Nc1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(C(*)=O)cc3)cc2)cc1C(=O)OCCCCCCCCCCCCCCCCCC,,0.36094499,,,
+1221040845,*OP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(C(c2cc(Br)c(*)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br,,0.39706819,,,
+1221113390,*NC(CCC(=O)OCCC)C(*)=O,,0.33535597,,,
+1221138931,*CCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,0.38552553,0.4341428571428571,0.886924555,21.34846534
+1221972864,*C=CC1CC(*)C(C#N)(CC)C1,,0.39311406,,,
+1223012575,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.35909297,,,
+1223074288,*Oc1ccc(C(CC)(c2ccccc2)c2ccc(OC(*)=O)cc2)cc1,,0.36890167,,,
+1223077195,*Nc1c2ccccc2c(-c2c3ccccc3c(N*)c3ccc(-c4ccccc4)c(-c4ccccc4)c23)c2c(-c3ccccc3)c(-c3ccccc3)ccc12,,0.37429399,,,
+1223442975,*CCCCCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(O*)c(OC)c3)cc2)cc1OC,,0.36539147,,,
+1223466134,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)CCCCCCCCC(*)=O,,0.34302627,,,
+1223535676,*Nc1ccccc1CC(c1ccccc1N)(c1ccccc1N)c1ccccc1N*,,0.34821531,,,
+1223550383,*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36635489,,,
+1224319371,*c1ccc2c(c1)C(=O)N(c1ccccc1Oc1ccc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc1)C2=O,,0.37203471,,,
+1224371344,*CCCCCCCCNC(=O)CCCCC(=O)N*,,0.35113971,0.291,,
+1224631495,*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(S(=O)(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.37003296,,,
+1224767743,*OCCON(OCCO*)c1ccc(N=Nc2cc([N+](=O)[O-])ccc2OCCOC(=O)Nc2ccc(Cc3ccc(NC(*)=O)cc3)cc2)cc1,,0.33829793,,,
+1225123322,*CC(*)C(=O)OCCCOc1ccc(C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.33201436,,,
+1225921990,*Oc1ccc(C(=O)Nc2cc(SCCC#N)c(NC(=O)c3ccc(*)cc3)cc2SCCC#N)cc1,,0.36223788,,,
+1225989211,*CCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33327208,,,
+1226464299,*Nc1c(C(C)(C)C)cc(C2(c3cc(C(C)(C)C)c(N*)c(C(C)(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)(C)C,,0.41407636,,,
+1226489424,*c1ccc(Oc2ccc(N3C(=O)c4c(F)c(F)c(Oc5c(F)c(F)c(Oc6c(F)c(F)c7c(c6F)C(=O)N(*)C7=O)c(F)c5F)c(F)c4C3=O)cc2)cc1,283.2696326,,,,
+1226552406,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc1,,0.34777302,,,
+1226651340,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.35314116,,,
+1227244872,*CC(*)C(=O)OCCCCCCCCC,,,0.281,0.892016503,10.93715508
+1227492040,*c1cccc(-c2nc3cc(-c4ccc5c(c4)nc(*)n5C)ccc3[nH]2)c1,,0.41641721,,,
+1227953094,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(OCCCC)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37183498,,,
+1229175862,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(*)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1,,0.39274981,,1.096450635,19.41986966
+1229640212,*Nc1ccc([C@H](C)c2ccc(C3(c4ccc([C@@H](C)c5ccc(N*)cc5)cc4)CCC(CCCC)CC3)cc2)cc1,,0.36917749,,,
+1230087703,*C=Cc1ccc(-c2nnc(-c3ccc(C=Cc4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(*)ccc6n7CCCCCCCC)ccc4n5CCCCCCCC)cc3)n2-c2ccccc2)cc1,,0.39496451,,,
+1230182375,*C(=O)N1C(=O)N(C(=O)c2ccc3c(c2)C(=O)N(c2cccc(P(=O)(c4ccccc4)c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)c2)C3=O)C(C)(C)C1=O,138.7903633,,,,
+1231617285,*CC(*)NC=O,,0.27493701,,,
+1231928634,*C(=O)c1cc2c(cc1Cl)C(=O)N(c1c(C)cc(C)c(N3C(=O)c4cc(*)c(Cl)cc4C3=O)c1C)C2=O,,0.41818103,,,
+1233245878,*c1ccc(Oc2ccc(-c3cccc(-c4ccc(Oc5ccc(-c6c7c(c(*)c8ccccc68)C(=O)N(c6ccccc6)C7=O)cc5)c(C(F)(F)F)c4)n3)cc2C(F)(F)F)cc1,,0.39084929,,,
+1233315694,*C=Cc1ccc(*)cc1,,0.38774885,,,
+1233336012,*CCOCCOc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(O*)c3)cc2)c1,,0.33599238,,,
+1233529700,*CCN(CCOC(=O)C=Cc1ccc(C=CC(=O)O*)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35081029,,,
+1233557380,*CC(*)(C)CCC,,0.39381473,0.174,,
+1234075748,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.36313366,,,
+1234355256,*Oc1ccc2ccc(Oc3ccc(C(=O)Nc4ccc(Oc5ccc(C(C)(C)c6ccc(C(C)(C)c7ccc(Oc8ccc(NC(=O)c9ccc(*)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2c1,,0.36837941,,,
+1235337223,*NC1=N[C@H](N*)N(CO)C(N)=N1,,0.29102826,,,
+1235772628,*Nc1ccc(-c2ccccc2)c(-c2c(CC)cccc2CC)c1N*,,0.3607122,,,
+1235835504,*Oc1c(Br)cc(C(C)(C)c2cc(Br)c(OC(=O)c3cccc(C(*)=O)c3)c(Br)c2)cc1Br,,0.41973656,,,
+1236281959,*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.38484293,,,
+1236372812,*C(=O)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8c7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36074861,,,
+1236653976,*CCOCCOC(=O)O*,,0.32111694,,,
+1236698324,*c1cccc(C(c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)c1,,0.36984267,,,
+1237680808,*N=P(*)(Oc1ccc(C(C)C)cc1)Oc1ccc(C(C)C)cc1,,0.40872556,,,
+1237730261,*Nc1ccc(C(C)(C)c2ccc(NC(=O)c3cc(C(*)=O)cc(N4C(=O)C=CC4=O)c3)cc2)cc1,,0.34689977,,,
+1237783866,*Oc1ccc(C(c2ccc(Oc3c(F)c(F)c(C(=O)c4c(F)c(F)c(*)c(F)c4F)c(F)c3F)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.3658273,,,
+1237875565,*CCN(CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.36049034,,,
+1238011731,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1,,0.3618059,,,
+1238020141,*CC(*)OC(=O)C1(C)CCCCC1,,0.3613498,,,
+1238107253,*c1cc(N2C(=O)c3ccc(Oc4cccc5c(Oc6ccc7c(c6)C(=O)N(*)C7=O)cccc45)cc3C2=O)cc(C(F)(F)F)c1,,0.37819795,,,
+1238169222,*N=P(*)(OCc1ccc(Br)cc1)OCc1ccc(Br)cc1,,0.37799409,,,
+1238226226,*c1ccc(Cc2ccc(N3C(=O)CC(Nc4ccc(Cc5ccc(NC6CC(=O)N(*)C6=O)cc5)cc4)C3=O)cc2)cc1,,0.3630038,,,
+1238987612,*NCc1cccc(CN*)c1,,0.31831938,,,
+1239353537,*C(=O)OCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.3305321,,,
+1239672440,*CCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,0.34021913,,,
+1239731818,*c1ccc(Sc2ccc(Sc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)s2)cc1,,0.37246963,,,
+1239746533,*CCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.3442798,,,
+1239868812,*Oc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C(*)=O)cc4)cc3-c3ccccc3)cc2)cc1,,0.35602332,,,
+1240229654,*C1C2CC(C1*)C([Si](C)(C)C)C2,,0.43382057,,,
+1240400626,*C(=O)Oc1ccc(OCCCCCCCCCCCCOc2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.35267151,,,
+1240885962,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1-c1ccc(Oc2ccccc2)cc1,,0.37479029,,,
+1241111211,*Nc1cc2c(cc1N*)C(CCCCCCCC)(CCCCCCCC)c1ccccc1-2,,0.36691614,,,
+1241410417,*c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37368209,,,
+1241617720,*CC(CO*)(CS(=O)(=O)CC)CS(=O)(=O)CC,,0.37003283,,,
+1242192055,*CCCCOC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)O*,,0.31017139,,,
+1242216634,*C(F)C(*)C(F)(F)F,,0.31361691,,,
+1242356842,*Nc1ccc2c3ccc4ccc5ccccc5c4c3c3ccccc3c2c1N*,,0.35285371,,,
+1242684513,*CCCCCOC(=O)c1ccc(C(=O)O*)cc1,,0.34203506,,,
+1242973596,*CC(*)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3,,0.37224912,,,
+1242989659,*CCOCCOCCOC(=O)c1ccc(C(=O)O*)cc1,36.06576581,,,,
+1243367222,*c1ccc(Oc2ccc(Oc3ccc(P(=O)(c4ccccc4)c4ccc(Oc5ccc(Oc6ccc(-c7nc8ccc(-c9ccc%10nc(*)oc%10c9)cc8o7)cc6)cc5)cc4)cc3)cc2)cc1,,0.38892688,,,
+1243527935,*Nc1ccc(Oc2ccc(Nc3ccc4c(c3)c3cc(*)ccc3n4CC(CC)CCCC)cc2)cc1,,0.38890239,,,
+1244119715,*/C=C/c1cc(CCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1CCCCCCCCCCC,,,0.368,0.89127614,15.68183389
+1244604743,*c1cc(O)c(O)cc1*,158.9171015,,0.183,0.986360805,13.85120498
+1244610888,*c1ccc(-c2nc3ccc(Oc4ccc5nc(*)c(-c6ccccc6)c(-c6ccccc6)c5c4)cc3c(-c3ccccc3)c2-c2ccccc2)cc1,,,0.27,0.956272559,25.28802464
+1245028222,*Oc1ccc(Oc2ccc(NC(=C(C#N)C#N)c3ccc(C(Nc4ccc(*)cc4)=C(C#N)C#N)cc3)cc2)cc1,,0.39351854,,,
+1245052771,*c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c2)cc1,155.8375326,,,,
+1245106816,*Oc1c(C(C)C)cc(*)cc1C(C)C,,0.44422978,,,
+1245265865,*C=CC1CC(*)C2C(=O)N(c3ccc(C)cc3)C(=O)C12,,0.38445256,,,
+1245320293,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1C,,0.37828298,,,
+1245611127,*CC(O*)c1ccccc1,,0.36793308,0.181,1.068349202,12.8198381
+1246412636,*c1cccc(N2C(=O)c3ccc(Oc4c(C)cc(-c5cc(C)c(Oc6ccc7c(c6)C(=O)N(*)C7=O)c(C)c5)cc4C)cc3C2=O)c1,,0.39022826,,,
+1246466408,*C(=O)Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccccc7-c7ccccc7Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.3624363,,,
+1246478630,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1,,0.35295865,,,
+1247053205,*Oc1c(Cl)cc(C2(c3cc(Cl)c(OC(*)=O)c(Cl)c3)CC3CCC2C3)cc1Cl,,0.40020648,,,
+1247276415,*CCNC(=O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)NCCN(*)c3ccc(/C=C/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1,,0.35889095,,,
+1247283822,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(P(=O)(c5ccccc5)c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38593544,,,
+1247292893,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(OCCOCCOc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.34407338,,,
+1247307752,*c1ccc(OCCCCCCCCCCCOc2ccc(-c3ccc4nc(-c5cccc(-c6cc(-c7ccccc7)c7cc(*)ccc7n6)c5)cc(-c5ccccc5)c4c3)cc2)cc1,,0.3894808,,,
+1247311317,*CCC(C)C(C)CCNC(=O)c1cc(C(=O)N*)cc(C(C)(C)C)c1,,0.35663758,,,
+1247317223,*Nc1ccc(-c2cc3ccc2CCc2ccc(c(-c4ccc(N*)c(N)c4)c2)CC3)cc1N,,0.36354697,,,
+1247694906,*C(=O)Nc1cc(C(F)(F)F)ccc1Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5-c5ccccc5)c(-c5ccccc5)c3)C4=O)cccc12,,0.36667366,,,
+1248082530,*C(=Cc1cc(OCCCCCCCC)c(C=C(c2ccccc2)c2ccc3c(c2)Sc2ccc(*)cc2S3)cc1OCCCCCCCC)c1ccccc1,,0.39856806,,,
+1248304721,*c1ccc(Oc2ccc(-c3cnc4cc(-c5ccc6nc(*)cnc6c5)ccc4n3)cc2)cc1,,0.39789231,,,
+1248717152,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(P(=O)(c5ccccc5)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)c3)C4=O)cc2)cc1,,0.36252693,,,
+1248950707,*CCC(=O)NCC(=O)N*,70.42884183,,,,
+1249625777,*CCCNC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NCC(=O)NCCCOCCOCCO*)C(C)C)C(C)C,,0.34386538,,,
+1249855570,*c1ccc(C(c2ccc(C(=O)OC)cc2)c2ccc(N(*)c3ccc(C)cc3)cc2)cc1,,0.42975739,,,
+1250128226,*CC(CC)(CC)CO*,,0.3776766,,,
+1250174161,*CC(C)C(*)(C)C,,0.37444531,0.2026666666666666,,
+1250664164,*Nc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1N*,,0.34863907,,,
+1250759727,*Nc1ccc(-c2c3ccccc3c(-c3ccc(N*)cc3)c3ccccc23)cc1,,0.3582881,,,
+1250976105,*Oc1ccc(NC(=O)/C=C/c2ccc(/C=C/C(=O)Nc3ccc(*)cc3)cc2)cc1,,0.33908362,,,
+1251251952,*C=CC(*)(C)C,,0.41706039,,,
+1251718993,*C(=O)CCCCCCCCC(=O)N1CC(C)N(*)CC1C,,0.35664394,,,
+1251846091,*CCN(CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)O*)cc2)cc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.34851961,,,
+1251856230,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.35606637,,,
+1252158010,*c1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37544083,,,
+1252177757,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C7(c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)CCC(c8ccccc8)CC7)cc6)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.38624967,,,
+1252473600,*C(C)C(*)C(=O)OC12CC3CC(CC(C3)C1)C2,,0.38554512,,,
+1252624826,*C[Si](*)(C)CCCCCC,,0.39640493,,,
+1252741517,*Nc1ccc(-c2ccc(N*)c(/C=C/c3ccccc3)c2/C=C/c2ccccc2)cc1,,0.35976311,,,
+1252756161,*SCC(=O)NN=Cc1ccc(OCCCCCCCCCCOc2ccc(C=NNC(=O)CSc3nnc(*)s3)cc2)cc1,,0.36696758,,,
+1252814215,*CC(*)C(=O)NCCCCCCCCCCCCCCCC,,,0.3105,0.864456022,12.35489175
+1252824054,*C=CC1CC(*)C(C(=O)Oc2ccccc2)C1,,0.36298238,,,
+1253121067,*CCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.34210366,,,
+1253393179,*CC(COC(C)OCC)O*,,0.36879886,,,
+1253409024,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)c1,,0.35906708,,,
+1253785759,*CC(*)(F)C(=O)OCCC,,0.35411146,,,
+1253961002,*Oc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(OC(=O)c3ccc4c(c3)Cc3cc(C(*)=O)ccc3-4)cc2)cc1,,0.38005772,,,
+1254056862,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N=Nc2ccc(C3OCC4(CO3)CC3C=CC4C3)cc2)cc1,,0.3670177,,,
+1254412515,*C#Cc1cccc(C#C[SiH](*)C)c1,,0.48442803,,,
+1254752288,*Nc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(N*)cc4)ccc2-3)cc1,,0.3647088899999999,,,
+1255030804,*Nc1ccc(-c2cc(N*)cc(-c3ccccc3)c2)cc1,,0.34439898,,,
+1255406268,*c1ccc2c(c1)C(=O)N(c1c(C(C)C)cc(Cc3cc(C(C)C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O,,0.43780015,,,
+1255816024,*c1cccc(Cc2cccc(N3C(=O)c4ccc([Si](C)(C)c5ccc([Si](C)(C)c6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4C3=O)c2)c1,,0.39436632,,,
+1256351112,*Nc1ccc(C2(c3ccc(N*)cc3)c3cccc(C)c3-c3cccc(C)c32)cc1,,0.3731668,,,
+1256508173,*C(=O)Nc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(NC(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)c4)cc3)cc2)c1,,0.35369558,,,
+1256836915,*Nc1ccc(*)cc1OCCCCCCCCCCCCCCCC,,,0.3671666666666667,0.899934311,14.9826959
+1256957523,*CCOP(=O)(N=Nc1ccc(-c2ccc(N=NP(=O)(O*)OCC)cc2)cc1)OCC,,0.35913079,,,
+1256991095,*C=CC1CC(*)C2C(=O)N(CCCCCCCCC)C(=O)C12,,0.37137448,,,
+1257255803,*Oc1ccc2ccc(Oc3ccc(C(=O)Nc4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(NC(=O)c8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc2c1,,0.36672584,,,
+1257657215,*c1ccc(Oc2ccc(Oc3ccc(-c4nc(*)nc(-c5ccccc5)n4)cc3)cc2)cc1,,0.40894875,,,
+1257792790,*O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.39205725,,,
+1257932675,*CC(*)OC(=O)CC(C)=O,9.819405608,,,,
+1257958128,*CCCCCCCCCNC(=O)CCCCCCCCCC(=O)N*,,,0.312,0.933531017,25.4839371
+1258103517,*Nc1ccc(-c2ccc(N*)c(C)c2-c2ccccc2)cc1,,0.35793789,,,
+1258628140,*Oc1ccc(-c2ccc(OC(*)(Oc3ccccc3)Oc3ccccc3)c(C)c2)cc1C,,0.3726312,,,
+1259156024,*C(=O)Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c2)c1,213.4893774,,,,
+1259678348,*CC(*)C(=O)Oc1ccc(-c2ccccc2)cc1,,0.3489094,0.2055,1.091305455,11.54820166
+1259746879,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)cc1,48.20867337,,,,
+1260132541,*c1ccc(Cc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.39071977,,,
+1260477255,*CCCCCCNC(=O)c1c(Cl)c(Cl)c(C(=O)N*)c(Cl)c1Cl,,0.35512749,,,
+1260660121,*CC/C=C(/*)CCCCCCC,,,0.269,,
+1261008131,*C(=O)c1cc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)cc4)cc2)C3=O)cc(C(C)(C)C)c1,,0.37319105,,,
+1261139473,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)c3ccccc3Cc3ccccc32)cc1,,0.3749586,,,
+1261531807,*CCc1ccc(CCNC(=O)CCCCCCCCCCCCC(=O)N*)cc1,,0.36154696,,,
+1261888727,*C(=O)c1ccc(C(=O)N(CCC)c2ccc(Cc3ccc(N(*)CCC)cc3)cc2)cc1,173.7390032,,,,
+1262712163,*OP(=O)(Oc1ccc(-c2ccc(*)cc2)cc1)OC1CCCCC1,,0.36429244,,,
+1263057506,*CC(*)(C)C(=O)OCC#C,,0.35098547,,,
+1263366372,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.33929019,,,
+1263725170,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6cccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)c6)cc5C4=O)cc3)c2)cc1,,0.35641912,,,
+1263773798,*Oc1ccc(C2(c3ccc(OC(=O)CCCCCCCCCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36830388,,,
+1263993270,*Oc1ccc(Oc2ccc(C(=O)c3cccc4cccc(C(=O)c5ccc(*)cc5)c34)cc2)cc1,,0.3769196,,,
+1264073564,*Nc1ccc([C@@H](CC)c2cccc([C@H](CC)c3ccc(N*)cc3)c2)cc1,,0.36105687,,,
+1264214740,*Sc1ccc(Nc2ccc(Nc3ccc(*)cc3)cc2)cc1,,0.4021004,,,
+1264383388,*Nc1ccc(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4ccc(N*)c5ccccc45)cc3)cc2)c2ccccc12,,0.36475136,,,
+1264421130,*CC(*)c1cc(-c2ccc(C(=O)OC(C)CCCCCC)cc2)ccc1-c1ccc(C(=O)OC(C)CCCCCC)cc1,,0.37966374,,0.947782381,10.01820949
+1264684812,*CC(*)c1cc(C(=O)Oc2ccc(OC)cc2)ccc1C(=O)Oc1ccc(OC)cc1,,0.34367981,,,
+1264707088,*CCOC(=O)Nc1ccc(CCCCc2ccc(NC(=O)O*)cc2)cc1,,0.34609329,,,
+1264767069,*Oc1ccc(OC(=O)c2cc(N=Nc3ccc(OCC)cc3)ccc2-c2ccc(N=Nc3ccc(OCC)cc3)cc2C(*)=O)cc1,,0.36951145,,,
+1264867007,*c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(-c6cc(*)[nH]n6)cc5)cc4)cc3)cc2)cc1,,0.38159758,,,
+1265296504,*c1cc(C(=O)OCC)cc(N2C(=O)CC(C3Cc4ccccc4C4C(=O)N(*)C(=O)C43)C2=O)c1,,0.36068687,,,
+1265311522,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)c3ccc(C(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)cc1)C2=O,,0.37431986,,,
+1265853164,*CCSCc1ccc(Cc2ccc(CSCCOC(=O)CCSCc3ccc(Cc4ccc(CSCCC(=O)O*)cc4)cc3)cc2)cc1,,0.36622097,,,
+1266330575,*c1ccc(-c2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.40434518,,,
+1266599294,*CCCCCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.33765741,,,
+1266997255,*CCOC(=O)c1ccccc1C(=O)O*,,0.3271084,,,
+1267045105,*c1cc(C(c2ccc(OCCN(c3ccccc3)c3ccc(C=CC4=CC(=C(C#N)S(C)(=O)=O)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(c1ccccc1)c1ccc(C=CC2=CC(=C(C#N)S(C)(=O)=O)CC(C)(C)C2)cc1,,0.37934659,,,
+1267165499,*Nc1cccc(-c2cccc(/C=C/c3ccccc3)c2/C=C/c2ccccc2)c1N*,,0.35817163,,,
+1267231154,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(-c4nc5ccccc5s4)cc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)n1,,0.36524921,,,
+1267496441,*CCCN(*)C(=O)CCCCC,,0.36869304,,,
+1267767457,*CCCCCCCC(=O)OCCOC(=O)CCCCCCCC1OCC(COCC2COC(*)O2)O1,-2.553202642,,,,
+1267983155,*CC(C)(CO*)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.33988756,,,
+1268212088,*NC1=C(/C=C/c2ccc(N*)cc2)C=C(Cc2ccccc2)C(N)(N)[C@@H]1Cc1ccccc1,,0.34133831,,,
+1268591883,*C(*)C(=O)OC(C)(C)C,12.73837737,,,,
+1268903954,*CC1CCC(COC(=O)c2ccc(NC(=O)O*)cc2)CC1,148.8519878,,,,
+1269165942,*CCOc1ccc(S(=O)(=O)c2ccc(OCCOP(=O)(O*)Oc3ccc(C)cc3)cc2)cc1,,0.34896025,,,
+1269399876,*CC(O)COc1ccc(S(=O)(=O)c2ccc(O*)c(C)c2)cc1C,,0.35246453,,,
+1269445005,*CC(=O)Nc1cccc2c(NC(=O)COc3ccc4ccccc4c3Sc3c(O*)ccc4ccccc34)cccc12,,0.34427885,,,
+1269889405,*CC(*)c1cc(Br)ccc1OCCCC,,0.41686593,0.1493333333333333,1.214722149,12.90254496
+1269952522,*Nc1ccc2c(c1)-c1cc(N*)ccc1C2(c1ccccc1N)c1ccccc1N,,0.36757979,,,
+1270138741,*Nc1ccc2cc3ccccc3cc2c1-c1c(N*)ccc2cc3ccccc3cc12,,0.35802001,,,
+1270448600,*Nc1ccccc1C1(c2cc(C)ccc2N*)CCCCC1,,0.36301614,,,
+1270893836,*CCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,,,0.259,,
+1271079066,*c1ccc(-c2ccc(N(*)c3ccc(CCCC)cc3)cc2)cc1,,0.43625228,,,
+1271134038,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccc(Oc6ccc(C(=O)Nc7ccc(*)cc7)cc6)cc5)cc4)cc3)cc12,,0.35493198,,,
+1272587185,*c1ccc(Oc2ccc(-c3cc(-c4ccccc4)c4cc5nc(*)cc(-c6ccccc6)c5cc4n3)cc2)cc1,,0.42862349,,,
+1273620790,*CC(*)C(=O)OCCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35994367,,,
+1274254712,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(NC(=O)CCCC(=O)Nc4ccc(O*)cc4)cc3)cc2)cc1,,0.3351735,,,
+1275263414,*CCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccccc2)c1,,0.33751561,,,
+1275276173,*Oc1ccc(NC(=O)c2ccc(P(=O)(c3ccccc3)c3ccc(C(=O)Nc4ccc(Oc5ccc(P(=O)(c6ccccc6)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37546944,,,
+1275591013,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O,,0.38954407,,,
+1275707146,*Oc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(OC(=O)c5cccc(C(*)=O)c5)cc4)cc3)cc2)cc1,,0.35576866,,,
+1275832134,*/C=C/c1cc(CCCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1CCCCCCCCCCCC,,,0.315,0.863597922,16.18461866
+1276163646,*CCCCCCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N(*)C(C)C)C(C)C,,0.35467829,,,
+1276246944,*c1ccc(OC(=O)Nc2ccc(-c3ccc(NC(=O)Oc4ccc(-c5nc(-c6ccc([N+](=O)[O-])cc6)[nH]c5*)cc4)cc3OC)c(OC)c2)cc1,,0.36184068,,,
+1276410560,*c1ccc2c(c1)C(=O)N(c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.33986713,,,
+1276975260,*CCN(CCOC(=O)c1ccc(C(=O)O*)c(OCCC)c1)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1,,0.35306861,,,
+1277787594,*CCCCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c1,,0.3490302,,,
+1277971955,*CC(*)(C)C#N,,,0.146,0.912756425,16.28256988
+1278963276,*c1ccc(Oc2cccc(NC(=O)c3cc(C(=O)Nc4cccc(Oc5ccc(-c6nnc(*)o6)cc5)c4)cc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3)c2)cc1,,0.3655579,,,
+1279775850,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCCCCCCCCCC9)cc8)cc7C6=O)cc5)cc4)CCC(C(C)(C)C)CC3)cc2)cc1,,0.38480107,,,
+1279821267,*CC(*)(C)C(=O)OC,,,0.1594999999999999,0.906319536,14.29532166
+1280165390,*Nc1ccc(-c2ccc(N*)c(OC)c2)cc1OC,,0.33411517,,,
+1280502593,*CCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.35177391,,,
+1280563800,*CC(*)OC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32384943,,,
+1282073595,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4c(C(=O)c5ccc(*)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c(-c5ccc(F)cc5)c4-c4ccc(F)cc4)cc3)cc2)cc1,,0.40131849,,,
+1282093980,*CCCCCCNC(=O)c1ccc(C2(C)CC(C)(C)c3ccc(C(=O)N*)cc32)cc1,,0.35883552,,,
+1282732042,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)n3)cc1)C2=O,,0.40912107,,,
+1282744521,*Nc1ccc(CC2=CC[C@H](Cc3ccc(N*)cc3)C=C2)cc1,,0.34680076,,,
+1283103305,*CC(Cc1cccc2ccccc12)C[Si](*)(C)C,,0.37233408,,,
+1283259076,*CC(*)c1ccc(CCCCCCCC)cc1,,0.40676664,0.2674999999999999,0.86701632,11.37694228
+1284040004,*Nc1ccc([C@H]2[C@H](C)c3cc(N*)ccc3C2(C)C)cc1,,0.36746212,,,
+1284082821,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)CCCCCC(=O)Nc4cccc(O*)c4)c3)cc2)cc1,,0.33816204,,,
+1284164313,*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc6nc(*)c(-c7ccccc7)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,0.41462508,,,
+1285221061,*CCCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.3489851,,,
+1285571721,*CC1CCCC(CNC(=O)CCCCC(=O)N*)C1,,0.33557048,,,
+1285747694,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC(=O)O*,,,0.3379999999999999,0.892806607,20.14069114
+1286286715,*CC(*)(C)C(=O)OCCN(CC)c1ccc(N=Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1,,0.37343287,,,
+1286574060,*c1ccc(-c2ccc(-c3c(-c4ccccc4)nc4ccc(Oc5ccc6nc(-c7ccccc7)c(*)c(-c7ccccc7)c6c5)cc4c3-c3ccccc3)cc2)cc1,,0.40808604,,,
+1286616307,*c1ccc(C2(c3ccc(-c4cc(-c5ccccc5)c5cc(C6(c7ccc8nc(*)cc(-c9ccccc9)c8c7)c7ccccc7-c7ccccc76)ccc5n4)cc3)c3ccccc3-c3ccccc32)cc1,,0.44097468,,,
+1286748689,*Oc1ccc(-c2ccc(-c3ccc(Oc4ccc(C(c5ccc(*)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(C(F)(F)F)c3)cc2)cc1C(F)(F)F,,0.37834788,,,
+1286920787,*C=C(C#N)C(=O)OCCCCCCOC(=O)C(C#N)=Cc1ccc2c(c1)c1cc(*)ccc1n2CCCCCCCCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.36240665,,,
+1287697682,*c1ccc2cc(OC(=O)c3cccc(C(=O)Oc4ccc5cc(-c6nc7ccccc7nc6*)ccc5c4)c3)ccc2c1,,0.37114739,,,
+1287726377,*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37938549,,,
+1287850309,*C=C(*)c1ccccc1C(F)(F)F,,0.41894641,,,
+1287920729,*c1ccc(Sc2cc3c(cc2Sc2ccc(N4C(=O)C5C6C=CC(C7C(=O)N(*)C(=O)C67)C5C4=O)cc2)C(=O)N(CCc2ccccc2)C3=O)cc1,,0.38062067,,,
+1288275829,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)Nc4cccc(NC(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,0.36217731,,,
+1288612893,*Nc1ccc2c(c1)-c1ccc3c4ccc5c6c(ccc(c7ccc(c1c73)C2)c64)Cc1c(N*)cccc1-5,,0.33775178,,,
+1289045435,*Nc1cc(C)c(-c2cccc(C)c2-c2cc(C)c(N*)cc2C)cc1C,,0.37804144,,,
+1289126534,*CCCC1(CCCNC(=O)CCCCC(=O)N*)c2ccccc2-c2ccccc21,,0.34825862,,,
+1289234945,*CC(*)C(=O)OCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.35313837,,,
+1289453744,*N=P(*)(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F,-77.91107652,,,,
+1290046924,*Oc1ccc(NC(=O)c2cc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)cc(C(=O)Nc3ccc(*)cc3)c2)cc1,,0.33591306,,,
+1290159505,*C(=O)Nc1cccc2c(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc6c(N7C(=O)c8ccc(*)cc8C7=O)cccc56)cc3)C4=O)cccc12,,0.36744912,,,
+1290242331,*Oc1ccc(C(=C(Cl)Cl)c2ccc(OC(*)=O)cc2)cc1,,0.37391919,,,
+1290671546,*Nc1ccc2c(c1)-c1ccccc1-c1cc(N*)ccc1-c1cc(N)ccc1-2,,0.37663236,,,
+1290806312,*c1ccc(Oc2ccc3ccc(Oc4ccc(N5C(=O)CC(=O)N(*)C5=S)cc4)cc3c2)cc1,,0.37149644,,,
+1290822168,*c1cc(N=Nc2ccc(C#N)cc2)cc(*)c1O,,0.39563271,,,
+1291515166,*CC(*)OC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,,0.33243377,0.086,0.81190569,13.56949767
+1291566068,*CCCCCCCCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.357058,,,
+1291851819,*CCCCCCCCCCCCNC(=O)CCCCC(=O)N*,,,0.3745,0.944709172,22.08425305
+1292415850,*C(Cl)=C(*)CCCCCC,,0.40438433,,,
+1292622955,*Nc1ccc(/C=C/c2ccc(N*)c(C)c2C)cc1,,0.35534148,,,
+1293239198,*=c1cc2ccc3cc(=c4c5ccccc5c(=*)c5ccccc45)cc4ccc(c1)c2c34,437.49,,,,
+1293974706,*Nc1cc2c3ccccc3c3ccccc3c2c(N*)c1N,,0.3316594,,,
+1294053022,*C1C2CCC(C2)C1*,,0.39273913,,0.859348965,14.8573309
+1294362796,*CC(*)C(=O)OCCCCCCCCCCCCCC,,,0.3215,0.867171478,11.51022625
+1294421875,*CCCCCCOC(=O)OCCCOC(=O)OCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.33499957,,,
+1294607317,*Oc1ccc(C(C)c2ccc(OC(=O)c3ccc(Oc4ccc(C(*)=O)cc4)cc3)cc2)cc1,76.95210942,,,,
+1295002110,*c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(Sc4ccc(Sc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.38799659,,,
+1295229741,*CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.34948634,,,
+1295293979,*C1C(*)C2CC1C1C=CCC12,,0.43220188,,,
+1295301974,*CC(*)C(=O)OCCOCC(F)(F)C(F)(F)C(F)(F)F,,0.33448798,,,
+1295510505,*CCC[Si](C)(C)O[Si](C)(C)CCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.37495768,,,
+1295536082,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(-c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36892515,,,
+1295850561,*Nc1ccc(CC(CC(C)(C)c2ccc(N*)cc2)=C(C)C)cc1,,0.34957516,,,
+1295880392,*NCCCNCCNCCCN*,,0.33492047,,,
+1296143576,*O[Si](C)(C)CCCN=C1C=CC(=NCCC[Si](*)(C)C)c2c(O)ccc(O)c21,,0.39150617,,,
+1296755065,*c1ccc(*)nc1,322.0959561,,,,
+1297415322,*N=P(*)(OCCCCCC)OCCCCCC,,0.4012116,,,
+1297876567,*c1ccc(Oc2ccccc2Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.36105469,,,
+1297972519,*CCCCCCCCCCCCCCCCC(=O)N*,15.38660594,,0.379,,
+1298070198,*CC(*)C(=O)OCC(C)CCC,,,0.217,0.903896392,12.10743643
+1298418799,*NNC(=O)c1ccc(C(*)=O)cc1OCC,,0.33579349,,,
+1298446728,*c1ccc2c(c1)C(=O)N(c1ccc3c(c1)Cc1cc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)ccc1-3)C2=O,,0.40300966,,,
+1298577403,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)C5C6C=CC(C7C(=O)N(*)C(=O)C67)C5C4=O)c3)c2)c1,,0.37016836,,,
+1298805440,*CC(*)(C)C(=O)OCCC(C)(C)C,,,0.1895,0.860835583,11.4609216
+1299104612,*CC(*)C(=O)NCCCCCC(=O)O,,0.30692904,0.2495,1.07691203,11.78404643
+1299119036,*Nc1ccccc1-c1ccc(NC(=O)c2ccc(C(*)=O)cc2)cc1,,0.34525764,,,
+1299451372,*Nc1ccc2c(c1)C(C)(C)c1cc3cc4ccccc4c(N*)c3cc1-2,,0.36945143,,,
+1299554017,*CCCCCCCCCCCC(=O)N*,,0.37505502,0.3409999999999999,,21.42021733
+1299836604,*CC(*)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,,,0.3585,0.846770802,13.56836556
+1300048574,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C(C)(C)C)cc(-c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3C(C)(C)C)cc1)C2=O,,0.41772006,,,
+1300127001,*CC1(*)CC(=O)OC1=O,143.854555,,,,
+1300383951,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C#Cc1ccc(C#C[Si](*)(C)C)cc1,,0.46246248,,,
+1300562294,*Oc1ccc(-c2ccc(OC(=O)c3ccc(C(*)=O)cc3Sc3ccc4ccccc4c3)cc2)cc1,,0.35785251,,,
+1300646660,*c1ccc(Oc2ccc(-c3cccc(-c4ccc(Oc5ccc(-c6c7c(c(*)c8ccccc68)C(=O)N(c6ccccc6)C7=O)cc5)c(C(F)(F)F)c4)c3)cc2C(F)(F)F)cc1,,0.38085344,,,
+1300902354,*Nc1ccc([C@H](C)c2ccc(C3(c4ccc([C@@H](C)c5ccc(N*)cc5C)cc4)CCCCC3)cc2)c(C)c1,,0.37089997,,,
+1300907784,*Sc1ccc(C(=O)c2ccc(C(C)(C)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.40938395,,,
+1301068905,*OC(COC(=O)c1ccc(C(*)=O)cc1)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35889758,,,
+1301288779,*CC(*)OC(=O)C(C)(C)C,,0.3821509,,,
+1301620481,*Nc1ccc2c(c1)C(c1ccc(C)cc1)(c1ccc(C)cc1)c1cc(N*)ccc1-2,,0.38337526,,,
+1301630790,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C8(c9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9)CCCCCCCCCCC8)cc7)cc6C5=O)cc4)cc3C)c(C)c2)cc1,,0.38784907,,,
+1301948076,*CC(OCC)C1C(=O)OC(=O)C1*,,0.31032484,,,
+1302310440,*c1ccc(CCc2ccc(N3C(=O)C(=O)N(c4ccc(CCc5ccccc5N5C(=O)C(=O)N(*)C5=O)cc4)C3=O)cc2)cc1,,0.35446793,,,
+1302453294,*Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(=S)NC(=O)CCCCCCCCC(=O)NC(*)=S)c3)cc2)c1,,0.34740592,,,
+1302563585,*OS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)Oc3ccc(C4(c5ccc(*)cc5)CCCCC4)cc3)cc2)cc1,149.9071313,,,,
+1303245845,*Nc1ccc(Cc2ccccc2-c2ccccc2-c2ccc(N*)cc2)cc1,,0.35281368,,,
+1304546254,*C=CC1CC(*)C2C(=O)N(CCCCCCC)C(=O)C12,,0.36908283,,,
+1305600405,*Nc1c(N)c(O)c(C)c(O)c1N*,,0.30904003,,,
+1305829895,*CCCCCCCCNC(=O)C(OC)C(OC)C(=O)N*,,0.3476494,,,
+1306591589,*Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.36986468,,,
+1307322805,*c1ccc(Oc2ccc(Oc3ccc(NC(=O)c4cccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)c4)cc3)cc2)cc1,,0.35725183,,,
+1307515193,*c1ccc(NC2CC(=O)N(c3ccc(-c4sc(-c5ccc(N6C(=O)CC(Nc7ccc(-c8nc(C#N)c(C#N)nc8*)cc7)C6=O)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)C2=O)cc1,,0.40408501,,,
+1307775698,*CCCC1(CCCNC(=O)c2cccc(C(=O)N*)c2)c2ccccc2-c2ccccc21,,0.35132317,,,
+1308167790,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3ccc(C(=O)c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)cc3)c1)C2=O,,0.37344882,,,
+1308663062,*N[C@@]12C3=CCc4ccccc4[C@]31[C@@]21[C@]2(NC)C3=CCc4ccccc4[C@]321,,0.35949556,,,
+1308684557,*Oc1ccc(-n2on2-c2ccc(OC(=O)CCCCCCCCCCC(*)=O)cc2C)c(C)c1,50.67469492,,,,
+1308745603,*CC(*)(C)C(=O)OCCCCCCCCCCCC,,,0.2665,0.876333907,11.1507459
+1308822610,*Nc1ccc([C@@]2(C)c3ccc(N*)cc3CC2(C)C)cc1,,0.36731857,,,
+1308893158,*c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(Oc6ccccc6)cc5)cc4)c4cc(-c5ccc6nc(*)cc(-c7ccc(-c8ccc(Oc9ccccc9)cc8)cc7)c6c5)ccc4n3)cc2)cc1,,0.38479819,,,
+1309160623,*CCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,,0.3238941,,,
+1309401144,*c1cccc(S(=O)(=O)c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.36365297,,,
+1310550432,*CC(OCC(C)C)C1(C)C(=O)OC(=O)C1(*)C,,0.34284139,,,
+1310881775,*C(=O)Oc1ccc(C(c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(-c5cc(C)c(N6C(=O)c7ccc(*)cc7C6=O)c(C)c5)cc3C)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37721251,,,
+1311329501,*[Se]c1c(Cl)c(Cl)c(*)c(Cl)c1Cl,,0.39302909,,,
+1311388075,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.36650764,,,
+1311473361,*Oc1ccc(C(=Cc2cc(OC)c(C=C(c3ccc(*)cc3)c3ccc(C(F)(F)F)cc3)cc2OC)c2ccc(C(F)(F)F)cc2)cc1,,0.3904137,,,
+1312487500,*NC(CC(=O)OCc1ccccc1)C(*)=O,70.10647363,,,,
+1312935547,*CC(*)C(=O)OCCCCCCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.3602016,,,
+1313130081,*Oc1ccc(NC(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc(C(=O)Nc3ccc(*)cc3)c2)cc1,,0.35628794,,,
+1313149520,*c1ccc(C(c2ccccc2)(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)C(F)(F)F)cc1,,0.39310677,,,
+1313165210,*Nc1ccc(C2(c3ccc(N*)c(F)c3)c3ccccc3-c3ccccc32)cc1F,,0.37295561,,,
+1313737543,*O[Si](C)(C)c1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc([Si](*)(C)C)c2)c1,,0.39988791,,,
+1313953255,*CC(CC(*)(C#N)C#N)c1ccc(Cl)cc1,,0.39209317,,,
+1314048322,*Nc1cc2ccc3cc4ccccc4cc3c2c(C=C)c1N*,,0.34315656,,,
+1314252641,*CC(O)COc1ccc(C(=O)c2ccc(OCC(O)COc3ccc(C(C)(C)c4ccc(O*)cc4)cc3)cc2)cc1,,0.34542983,,,
+1314700598,*CCCCCCNC(=O)CCP(C)(=O)CCC(=O)N*,,0.33988654,,,
+1314710990,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)Nc4ccc(-c5ccc(NC(=O)c6ccc(*)cc6)cc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)cc1,,0.36383822,0.2685,1.198766828,27.69445684
+1315123551,*O[Si](C)(C)O[Si](C)(C)Oc1c(C)cc(-c2cc(C)c(*)c(C)c2)cc1C,,0.3890851,,,
+1315505306,*Oc1ccc(OC(=O)c2ccc(OCCCCCCCCOc3ccc(C(*)=O)cc3)cc2)cc1C(=O)CC,,0.35362648,,,
+1315760893,*Nc1ccc([C@H](C=C)c2ccc(Cc3ccc([C@@H](C=C)c4ccc(N*)cc4)cc3)cc2)cc1,,0.35508348,,,
+1315872207,*CC(*)(C)C(=O)Oc1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1,,0.3546963,,,
+1316732452,*OC(=O)OCCCCOC(=O)OC1COC2C(*)COC12,,0.3180929,,,
+1316887618,*CC(*)(C)C1=NC(C)(C)C(=O)O1,,0.35497529,,,
+1318130357,*C=CC1CC(*)C2C(=O)N(c3ccc(Br)cc3)C(=O)C12,,0.39805684,,,
+1318650528,*CCCC(*)C,,0.40163185,,,
+1318766747,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc2)cc1,,0.34069727,,,
+1318838343,*Nc1ccc(NC(=O)C=CC(*)=O)cc1,115.1255691,,,,
+1319010024,*CC(*)c1cccc(NC(C)=O)c1,,0.3447239,,1.037473199,12.26908267
+1319112543,*c1ccc(-c2c(-c3ccccc3)nc3ccc(-c4ccc5nc(-c6ccccc6)c(*)c(-c6ccccc6)c5c4)cc3c2-c2ccccc2)cc1,,0.39774474,,,
+1319321747,*CC(*)c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4ccccc4-5)ccc2-3)cc1,,0.40538104,,0.887288053,12.74028627
+1319410597,*Oc1cccc(OC(=O)c2cc(C(C)(C)C)c(OC(=O)c3ccc(C(=O)Oc4c(C(C)(C)C)cc(C(*)=O)cc4C(C)(C)C)cc3)c(C(C)(C)C)c2)c1,135.2011857,,,,
+1320165565,*Nc1cc(C)c(C2(c3c(C)cc(N*)cc3C)c3ccccc3-c3ccccc32)c(C)c1,,0.3801695,,,
+1320607876,*Oc1ccc(C2(c3ccc(OC(=O)CCCC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36266451,,,
+1321017513,*Oc1ccc(-c2ccc(C(C)(C)c3ccc(-c4ccc(OC(*)=O)c(F)c4)cc3)cc2)cc1F,,0.36767878,,,
+1321194504,*CC(*)P(=O)(c1ccccc1)c1ccccc1,,0.38231193,,,
+1321346245,*OC1C(COCC)OC(*)C(OCC)C1OCC,,0.37498776,,,
+1321681529,*Oc1ccc(OC(=O)c2cc(OCCCCCCOCC3CCCN3c3ccc([N+](=O)[O-])cc3)c(C(*)=O)cc2OCCCCCCOCC2CCCN2c2ccc([N+](=O)[O-])cc2)cc1,,0.34952872,,,
+1321705347,*OP(=O)(Oc1ccccc1)OC(CCl)COc1ccc(S(=O)(=O)c2ccc(OCC(*)CCl)cc2)cc1,,0.35156893,,,
+1321934906,*Oc1ccc(N=Nc2ccc(*)cc2)cc1,116.9759489,,,,
+1322145207,*c1cc(/C=N/c2ccc(C)cc2)c(*)c(OC)c1,,,0.215,0.9332806,24.66422713
+1322304083,*Nc1ccc(C(c2ccc(N)cc2)c2cccc(N*)c2)cc1,,0.35836442,,,
+1322409102,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.35829726,,,
+1322812178,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8c7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36611158,,,
+1322899924,*c1cc(C(=O)OCCCCCCCCCCOc2ccc(-c3ccc(OC(=O)c4ccc(OCC(F)CCCCCC)cc4)cc3)cc2)c(*)s1,,0.36606782,,,
+1323119594,*OC(=O)C(C)NC(=O)CCCCCC(=O)NC(C)C(=O)OC1COC2C(*)COC12,,0.32870245,,,
+1323225597,*c1cccc(N2C(=O)c3cccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc4)c3C2=O)c1,,0.36430041,,,
+1323245183,*Nc1ccc(C)c(C)c1-c1c(N*)ccc(C)c1C,,0.36698246,,,
+1323525187,*CC(*)C(=O)OCCN(C)C,,0.36492858,,,
+1323609368,*C(=Cc1cc(OC)c(C=C(c2ccc(F)cc2)c2ccc3cc(*)ccc3c2)cc1OC)c1ccc(F)cc1,,0.3940856,,,
+1324036450,*Nc1ccc(-c2cc(N*)ccc2-c2c(-c3ccccc3)ccc(-c3ccccc3)c2-c2ccccc2)cc1,,0.36283476,,,
+1324493760,*Nc1cc(CC)c(C2(c3cc(CC)c(N*)cc3CC)c3ccccc3-c3ccccc32)cc1CC,,0.38916158,,,
+1325509753,*Nc1ccc(C(=O)c2ccc(N*)cc2)cc1,,0.337244965,,,
+1325980765,*CC(*)(C)C(=O)OCCCCCC(=O)Oc1ccc(OC(=O)c2ccc(OC)cc2)cc1,,0.3349532,,,
+1326111661,*CC(CCCC)C(CCCC)COC(=O)c1ccc(C(=O)O*)cc1,,0.36856898,,,
+1326151916,*c1ccc(Cc2ccc(N3C(=O)CC(Nc4ccc(N(c5ccc(Nc6ccc([N+](=O)[O-])cc6)cc5)c5ccc(NC6CC(=O)N(*)C6=O)cc5)cc4)C3=O)cc2)cc1,,0.37796488,,,
+1327742614,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.37668952,,,
+1328109466,*CCCC1CC(=O)N(*)C(=O)C1,,0.32853402,0.23,1.09306772,17.92550338
+1328279815,*O[Si](*)(C)CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCC(C)CC)cc2)cc1,,0.36613468,,,
+1328538029,*N=P(*)(OC)OC,,0.33810683,,,
+1329379844,*CC(*)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32895822,,,
+1329476125,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.35825823,,,
+1329795537,*CC(O)COC(=O)CCCCCCCCCCC(=O)OCC(O)COc1ccc(O*)cc1,,0.34177602,,,
+1329805417,*c1ccc(-c2sc(-c3cc(CCCC)c(*)s3)cc2CCCC)cc1,,0.49358329,,,
+1330350980,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)CCCCC(=O)Nc4cccc(O*)c4)c3)cc2)cc1,,0.34097584,,,
+1330491095,*Oc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(Cc4ccc(OC(*)=O)cc4)cc3)cc2)cc1,,0.35217052,,,
+1330672528,*Nc1nc(C)nc(N*)n1,,0.3244865,,,
+1330783970,*CCCCCCNC(=O)C(O)C(O)C(=O)N*,149.1553302,,,,
+1330841310,*CCCCCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.35720916,,,
+1330844840,*CC(COCOCC(C)([N+](=O)[O-])[N+](=O)[O-])O*,,0.44890128,,,
+1331449531,*CCC(C(=O)OCC)C(*)C(=O)OCC,,,0.2075,0.983422084,17.46362519
+1332074394,*c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.38387233,,,
+1332282841,*CC(*)C(=O)OCCCCCCCCCCCn1c2ccccc2c2ccccc21,,0.36992924,,,
+1332783697,*OC(=O)OCC1OC(C)(C)OC1COC(=O)OC1COC2C(*)COC12,,0.32749602,,,
+1332933153,*c1ccc([Si](*)(C)C)cc1,126.7080905,,,,
+1333138019,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCC)cc1,,0.33525127,,,
+1333183317,*Oc1ccc(C(C)=Nc2ccc(N=C(C)c3ccc(Oc4ccc(C(c5ccccc5)(c5ccccc5)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.38978483,,,
+1333418832,*Nc1ccc(-c2ccc3c4ccc(-c5ccc(N*)cc5)cc4c4ccccc4c3c2)cc1,,0.34206693,,,
+1333567417,*Nc1ccc(C2(c3ccc(N*)cc3)C=C(C(C)C)C=C[C@@H]2C(C)C)cc1,,0.37150212,,,
+1333596225,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3C)c(C)c1)C2=O,,0.39115299,,,
+1333610491,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3-c3cccc4ccccc34)c2)cc1,,0.35656149,,,
+1333766804,*CCCOCCCCOCCCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.33894182,,,
+1333923150,*NCCCNCCCN*,,0.3265421,,,
+1334743519,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(C(c5ccc(C(=O)c6ccc(*)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37426463,,,
+1335169485,*CCc1ccc(*)c(Br)c1,,0.40939985,,,
+1335256384,*Oc1ccc(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)c2)cc1,,0.33756272,,,
+1335530924,*C(=O)Nc1ccc(C2(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CCC(CC)CC2)cc1,,0.37532282,,,
+1335818219,*CC(*)c1ccc(CCCCCCCCCCCC)cc1,,0.40128707,0.3035,0.85312948,11.9470464
+1335837736,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O)c1ccc(N=Nc2ccc(C)cc2)cc1,,0.35543807,,,
+1335930330,*c1cccc(N2C(=O)c3ccc(Oc4cccc5c(Oc6ccc7c(c6)C(=O)N(*)C7=O)cccc45)cc3C2=O)c1,,0.36724296,,,
+1336441380,*CCCOC(=O)c1cccc(C(=O)O*)c1,,0.3342418,,,
+1336532550,*CCN(*)C(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,-52.64825421,,,,
+1336700268,*Oc1ccc(-c2ccc(OC(=O)c3ccc(Oc4ccc(C5(c6ccc(Oc7ccc(C(*)=O)cc7)cc6)CCC(C(C)(C)C)CC5)cc4)cc3)cc2C)c(C)c1,,0.37755445,,,
+1336943329,*C(*)F,,0.33115728,,,
+1336999615,*Nc1ccc(-c2ccc(N*)c(Cc3ccccc3)c2Cc2ccccc2)cc1,,0.35426981,,,
+1337045352,*CCCCCCOC(=O)OCCCCCCCCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.36434074,,,
+1337142448,*Oc1ccc(NC(=O)c2ccc([Si](C)(C)c3ccc(C(*)=O)cc3)cc2)cc1,,0.36897255,,,
+1337289078,*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(*)cc3)cc2)cc1,,0.37072306,,,
+1337317565,*CC(*)(C)C(=O)O,,0.2715841,,,
+1337375382,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.35862232,,,
+1337675110,*Oc1ccc2ccc(Oc3ccc(C(=O)Nc4ccc(Oc5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2c1,,0.35681519,,,
+1337696117,*CCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,,0.37340882,0.389,,
+1337772240,*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)C(=O)Nc5c(Cl)cc(Cl)cc54)cc3)c2)cc1,,0.3679968,,,
+1338251164,*OC(COC(=O)c1ccccc1C(*)=O)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35887152,,,
+1338688328,*CC(*)(C)C(=O)OC(C)C(C)(C)C,,0.3963458,0.1674999999999999,0.844615787,10.99075229
+1339056719,*c1cccc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1,,0.3655675,,,
+1339302130,*CC(*)C(=O)OCCCC,,,0.2075,0.952753315,12.71172021
+1339379527,*C(C)=C(*)c1ccccc1,,0.41349595,,,
+1340249291,*c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,0.38859265,,,
+1340852987,*CC(*)(C)C(=O)OCC[N+](C)(C)CCCCS(=O)(=O)O,,0.45104433,,,
+1341096524,*C=CC1CC(*)C2C(=O)N(CCCCCCCC)C(=O)C12,,0.36926721,,,
+1341187910,*Cc1cccc(CNC(=O)CCCCC(=O)N*)c1,,0.32740895,,,
+1341702533,*C=Cc1ccc(C=Cc2ccc3c(c2)Sc2cc(*)ccc2N3c2ccc(OCCCCCCCCCCCC)cc2)cc1,,0.3922989,,,
+1341724908,*Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N*)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.34875187,,,
+1341866550,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35929695,,,
+1342064373,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Sc2ccccc2)cc1-c1ccccc1,,0.36668313,,,
+1342174126,*C(=O)c1ccccc1-c1ccccc1C(=O)N1CCN(*)CC1,,0.36072955,,,
+1342666772,*c1ccc(C(=O)c2ccc(-c3nc4cc(-c5ccc6nc(*)[nH]c6c5)ccc4[nH]3)cc2)cc1,300.9001313,,,,
+1343284955,*C(=O)c1cc2c(cc1Cl)C(=O)N(c1cc(C(=O)OC)cc(N3C(=O)c4cc(*)c(Cl)cc4C3=O)c1)C2=O,,0.39142907,,,
+1344066127,*CCCCCCCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.3784776,,,
+1344203582,*c1ccc(-c2sc(-c3ccc(-c4cc(CCCCCCCCCCCC)c(*)s4)cc3)cc2CCCCCCCCCCCC)cc1,,0.42148672,,,
+1344237352,*c1c(C)cc(C(c2cccc(C(F)(F)F)c2)c2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.41905022,,,
+1344927771,*CC(*)C(=O)OCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35935263,,,
+1345021190,*CCCCCCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCCCCCOP(=O)(O*)OCC)c(OC)c3)C2=O)cc1OC,,0.36323545,,,
+1345501676,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.33379444,,,
+1345670200,*CC(COc1ccc(C(C)(c2ccccc2)c2ccc(O*)cc2)cc1)OC(C)=O,,0.35362656,,,
+1345726690,*CC#CCOC(=O)CCCCCCC(=O)O*,,0.35175594,,,
+1345866279,*O[Si](*)(C)c1ccc(C)cc1,,0.39948933,,,
+1345870350,*c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(-c6nc7ccccc7n6-c6ccc(-n7c(*)nc8ccccc87)cc6)cc5)cc4)cc3)cc2)cc1,,0.3802456,,,
+1345870546,*CCCCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.35143027,,,
+1346046576,*Oc1ccc(C(=O)OCCCCCCOC(=O)c2ccc(*)cc2)cc1,,0.35010483,,,
+1346259301,*C=CC(C)C(*)C(=O)OCCN(C)c1ccc(N(C)C)cc1,,0.37701058,,,
+1346551249,*CC1(*)CCC(C)CC1,,,0.164,,
+1346729731,*Nc1ccc2cc(N*)c(-c3cc4ccccc4c(N)c3N)cc2c1,,0.34931736,,,
+1346910233,*CCCCCCCCCCCCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(O*)cc4)cc3)cc2)cc1,,0.39073827,,,
+1347090486,*CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,,0.37098942,0.281,0.930218098,21.56106622
+1347844859,*c1ccc2c(c1)C(=O)N(c1cccc(S(=O)(=O)c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.37548521,,,
+1347977204,*CCOC(=O)CC(=O)O*,-90.52916041,,,,
+1349126211,*CC(*)C(=O)Oc1cccc(C(=O)OC)c1,,0.33263806,,,
+1349202654,*CC1CCC(COC(=O)c2cccc(C(=O)O*)c2)CC1,,0.35579865,,,
+1349238031,*CCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.34709523,,,
+1349530452,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OC(C)C)cc1,,0.34605005,,,
+1349559067,*CC(CS(=O)(=O)C(C)C)O*,,0.37689062,,,
+1349609988,*Nc1c(N)n(C)c(N*)nc1=O,,0.3003834,,,
+1349614436,*c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Oc4ccccc4Oc4ccc(NC(=O)c5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.35589538,,,
+1349968586,*NC(=O)[C@H](CCC[C@H](N)C(=O)O)N*,,0.29081425,,,
+1350186524,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.38811935,,,
+1350245180,*Nc1ccc(C(CCCC[C@H]2CC[C@H](/C=C/[C@H]3CC[C@H](CCC)CC3)CC2)c2ccc(N*)cc2)cc1,,0.3683838,,,
+1350837084,*CC(C)(CC)C(=O)O*,,0.3539173,,,
+1350968415,*C1C(=O)N(CCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C(=O)C1*,,0.35300767,,,
+1351618025,*CC(*)(C)C(=O)OCCOC(=O)c1cc(OC(=O)c2ccc(N=Nc3ccc(OCCCCCCC)cc3)cc2)cc(OC(=O)c2ccc(N=Nc3ccc(OCCCCCCC)cc3)cc2)c1,9.014452923,,,,
+1352932501,*Nc1ccc(-c2ccc(-c3cc(-c4ccc(N*)cc4)cc(-c4ccc(-c5ccc(N)cc5)cc4)c3)cc2)cc1,,0.35536772,,,
+1353112393,*CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,,,0.38825,0.884434958,21.19385371
+1353148965,*Nc1cc(N*)c2c3ccccc3c3ccccc3c2c1,,0.33007057,,,
+1353215039,*c1cccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3cccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1,,0.3682581,,,
+1354246474,*C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3C)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.36478693,,,
+1355319996,*C(=O)NCCN(CCNC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.33834048,,,
+1355567925,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(Oc8ccc(-c9ccc(*)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.36733109,,,
+1355819266,*Nc1cccc(NC(=O)CCCCCCCCC(*)=O)c1,,0.34121372,,,
+1356052280,*CCOCCOCCOCCOc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,,0.35954959,,,
+1356279835,*CC(*)c1ccccc1Cl,,,0.1436666666666667,,
+1356849537,*c1ccc(N(c2ccc(N(C)C)cc2)c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.417039,,,
+1356914950,*c1cccc(N2C(=O)c3cccc(Oc4ccc(-c5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc4)c3C2=O)c1,,0.36636392,,,
+1357039642,*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37627805,,,
+1357177247,*c1ccc(-c2ccc(-c3ccc(-c4ccc(N(*)c5ccc(C)cc5)cc4)c4c(C)ccc(C)c34)c3c(C)ccc(C)c23)cc1,,0.41844123,,,
+1358109974,*Nc1ccc(/C=C/c2cc(/C=C/c3ccc(N)cc3)cc(/C=C/c3ccc(N*)cc3)c2)cc1,,0.35610463,,,
+1358861008,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C7(c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)CC8CC7C7CCCC87)cc6)cc4)C5=O)cc3)cc2)cc1,,0.36692147,,,
+1358943628,*CC(*)(F)C(=O)OC,,0.3195917,,,
+1359050753,*NC1=C(CC=C)[C@H](CCCCC)c2cccc3ccc(N*)c1c23,,0.3464462,,,
+1359082710,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5nnc(*)n5-c5cccc(C(F)(F)F)c5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38188218,,,
+1359130105,*c1cccc(N2C(=O)c3cccc(Oc4ccc(Oc5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc4)c3C2=O)c1,,0.36431938,,,
+1359436093,*Nc1ccc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1N*,,0.36465263,,,
+1359594039,*c1ccc(C=C(c2ccc(OC)cc2)c2ccc(C(=Cc3ccc(N(*)c4ccccc4)cc3)c3ccc(OC)cc3)cc2)cc1,,0.40199668,,,
+1359687224,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.35002992,,,
+1359872176,*CC(*)(C)C(=O)NC(=O)OC(C)COc1ccc(S(=O)(=O)c2ccc(OCC(C)O)cc2)cc1,,0.33219505,,,
+1360256183,*Cc1ccc(C(C)(C)c2ccc(CN3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(*)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)o2)o1,,0.35852465,,,
+1361184303,*Nc1ccc(C2(c3ccc(N*)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1,,0.379009425,,,
+1361620762,*C=CC(C)C(*)C(=O)OC,,0.36981772,,,
+1361875495,*c1cc(C(C(=O)OC)C(=O)OC)c(*)s1,,0.39850796,,,
+1362818896,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(C(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.39211202,,,
+1362829798,*CC(*)P(=O)(OCC)N(C)C,,0.3661564,,,
+1362985746,*C=NN(CCCC)c1ccc(S(=O)(=O)c2ccc(N(CCCC)N=Cc3ccc4c(c3)c3cc(*)ccc3n4CC)cc2)cc1,139.604302,,,,
+1363453372,*Oc1ccc(Oc2ccc(NC(=O)c3cc(C(=O)Nc4ccc(*)cc4)cc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3)cc2)cc1,315.5911196,,,,
+1363602163,*CCCCc1ccc(-c2c(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.39697678,,,
+1364091804,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.37216814,,,
+1364709079,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.438999,,,
+1365155281,*C#Cc1cccc(C#C[SiH](*)c2ccccc2)c1,,0.45724186,,,
+1365375368,*CC(*)C(=O)Oc1cc(C)cc(C)c1,,0.36603281,,,
+1365608843,*CCCCCCNC(=O)C(OC)C(OC)C(=O)N*,,0.33568737,,,
+1365694834,*CCCCCCCC(=O)OCC1COC(*)O1,,0.35131956,,,
+1365820335,*C1OCCCC1C1C(=O)OC(=O)C1*,,0.31521835,,,
+1365848174,*c1ccc(-c2nc3cc4nc(-c5ccccc5)c(*)nc4cc3nc2-c2ccccc2)cc1,,0.51398194,,,
+1365937405,*CC(OC(C)C)C1C(=O)OC(=O)C1*,,0.31948862,,,
+1366065674,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.36983712,,,
+1366196353,*Nc1ccc(-c2ccc(N*)cc2-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1,,0.35926745,,,
+1366250569,*CCCCCCCCCCCCO*,,,0.4307499999999999,0.85333452,24.21423422
+1366419204,*Nc1ccc(C2(c3ccc(N*)c(C)c3)c3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc32)cc1C,,0.3801140149999999,,,
+1366538369,*Oc1ccc(OC(=O)c2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,176.5386789,,,,
+1366987461,*Nc1ccc(C(=CCC(C)(c2ccc(N)cc2)c2ccc(N*)cc2)c2ccc(N)cc2)cc1,,0.35500045,,,
+1367013502,*N=P(*)(OCCOCCOC)OCCOCCOC,,0.35370177,,,
+1367398148,*CCCOC(=O)O*,,0.31917204,,,
+1367679735,*CC1CCC(COP(=O)(N=Nc2ccc(C(=O)c3ccc(N=NP(=O)(O*)OC)cc3)cc2)OC)CC1,,0.36569586,,,
+1367828072,*CC(*)(C)C(=O)Oc1ccc(OCc2ccccc2)cc1,,0.34318377,,,
+1367832773,*c1ccc(N(c2ccccc2)c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.41550047,,,
+1367879345,*CCSC(=O)CCCCC(=O)S*,-21.91188888,,,,
+1368560795,*Nc1ccc2c(-c3ccccc3)c3cc(N*)ccc3c(-c3ccccc3)c2c1,,0.36152182,,,
+1369201997,*C(=O)NC1CCC(CC2CCC(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CC2)CC1,,0.3545699,,,
+1369478865,*CC(*)S(=O)c1ccccc1,137.9705527,,,,
+1369988926,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.38241921,,,
+1370170679,*Oc1ccc(C(CC)(CC)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.36895658,,,
+1370228225,*CCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.35379237,,,
+1370311648,*Oc1cccc(NC(=O)c2ccc(C(c3ccc(C(=O)Nc4ccc(*)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1,157.6228264,,,,
+1370577687,*CC(*)C(=O)NCC(N)=O,,0.24561261,,,
+1370610727,*CCCC=C(*)c1ccccc1,,0.38339331,,,
+1370707470,*CCN(*)CC[Si](C)(C)C,,0.41091348,,,
+1370747504,*CCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,,,0.355,0.933728856,22.40485025
+1370904651,*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C2C3CCC(C3)C2c2ccccc2)cc1,,0.36998662,,,
+1371045959,*C1C2CC(C)C(C2)C1*,,0.40953416,,,
+1372092396,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(Cl)c2)cc1Cl,,0.37511386,,,
+1372197295,*Oc1c(C)cc(*)cc1C,,,,0.945927386,16.3810139
+1372357517,*CCCCCCOC(=O)O*,,0.34844798,,,
+1372478864,*Oc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(C(*)=O)cc4C(F)(F)F)c(C(F)(F)F)c3)cc2C(=O)OCCCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)c(C(=O)OCCCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)c1,,0.36028801,,,
+1373042522,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34700053,,,
+1373216700,*Nc1ccc2c(c1)C1(c3cc(N)ccc3-2)c2cc(N)ccc2-c2ccc(N*)cc21,,0.38294109,,,
+1373295279,*Nc1ccc(C(c2ccc(N*)cc2)[C@H](CCC)CCCCC(c2ccc(N)cc2)c2ccc(N)cc2)cc1,,0.35865315,,,
+1373519109,*CC(CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)OCC(C)CC)cc2)cc1)O*,-0.17829817,,,,
+1373716942,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCCCCCCCCCCCC)cc1,,0.36106386,,,
+1373795866,*Nc1ccc(-c2ccc(-c3ccc(-c4ccc(N*)cc4)c4ccccc34)c3ccccc23)cc1,,0.36481305,,,
+1375025595,*C(=O)Oc1ccc([Si](C)(CC)c2ccc(OC(=O)c3ccc(*)s3)cc2)cc1,,0.3789267,,,
+1375441577,*N/N=N\c1ccc2ccccc2c1-c1c(/N=N/N*)ccc2ccccc12,,0.36086898,,,
+1375874201,*NC1=CC=C(C2(c3ccc(N*)cc3)CCCCC2)CC=C1,,0.35363223,,,
+1376051647,*CC(*)(C)C(=O)Oc1cccc(C)c1C,,0.36564325,,,
+1376172701,*Nc1ccc(C(C)(CCc2cc(N*)ccc2-c2ccc(N)cc2C)c2ccc(N)cc2)cc1,,0.36703698,,,
+1376346368,*c1ccc(-c2ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccc(*)s5)ccc3-4)s2)cn1,,0.45492217,,,
+1376684295,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(*)cc4)cc3)cc2)cc1,,0.35061579,,,
+1376982255,*CCCCCCCCCCC(=O)Nc1ccc(Oc2cccc(NC(=O)CCCCCCCCCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.34938578,,,
+1377024014,*C(=O)NNC(=O)c1ccc(*)nc1,135.1836518,,,,
+1377176379,*c1ccc(C2(c3ccc(-c4nnc(*)o4)cc3)OC(=O)c3ccccc32)cc1,,0.4359793,,,
+1377849521,*CC(*)c1ccc(COCCO)cc1,,0.34743668,,,
+1378439616,*CCCCCC(=O)Nc1ccc(NC(=O)CCCCCN2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.33248324,,,
+1378483093,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5nc6ccc(-c7ccc8nc(*)c(-c9ccccc9)nc8c7)cc6nc5-c5ccccc5)cc4)cc3)cc2)cc1,,0.39796101,,,
+1378557946,*N[C@H]1CC[C@H](C[C@H]2CC[C@H](N*)[C@@H](C)C2)C[C@@H]1C,,0.36416977,,,
+1378818444,*Nc1ccc(C(Cc2ccccc2)(Cc2ccccc2)c2ccc(N*)cc2)cc1,,0.36110645,,,
+1379119982,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C=CC2=C(C#N)C(=C(C#N)C#N)OC2(C)C)cc1OCCCCCC,,0.37360953,,,
+1379290572,*Oc1ccc(NC(=O)Nc2ccccc2CCc2ccccc2NC(=O)Nc2ccc(*)cc2)cc1,,0.35119431,,,
+1380589062,*CC(*)OCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCC)cc2)cc1,,0.36990497,,,
+1380807593,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)cc4)c3)cc2)cc1,,0.36329439,,,
+1381195647,*c1ccc(NC2CC(=O)N(c3ccc(Cc4ccc(N5C(=O)CC(Nc6ccc(-c7nc(-c8ccc(C=Cc9ccc([N+](=O)[O-])cc9)cc8)[nH]c7*)cc6)C5=O)cc4)cc3)C2=O)cc1,,0.37470794,,,
+1381337604,*Oc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccc(OC(=O)CCCCC(*)=O)cc4)cc3)cc2)c2ccccc2)cc1,,0.37196915,,,
+1381529897,*CC(*)(C)C(=O)OCCNC(C)(C)C,,0.36999858,0.184,0.899956342,11.94476747
+1382189340,*CCC=C(*)C(C)C,,0.40099098,,,
+1382529497,*O[Si](C)(C)O[Si](C)(C)C#Cc1ccc(C#C[Si](*)(C)C)cc1,,0.4683381,,,
+1382532575,*Nc1ccc(C2=CC[C@](N*)(c3ccccc3)C=C2)cc1,,0.343948335,,,
+1382706123,*Oc1c(F)c(F)c(S(=O)(=O)c2c(F)c(F)c(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(F)c2F)c(F)c1F,,0.36236981,,,
+1382769983,*Nc1cccc2c1OC1(Oc3c(cccc3N*)C=C1C)C(C)=C2,,0.35078115,,,
+1383097828,*CC(*)(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32884638,0.084,1.517768128,12.13515797
+1383379124,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCC(*)=O)cc2)C(=O)OCC(C)C)cc1,,0.34693865,,,
+1383381631,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3cccc(N)c32)cc1,,0.368668165,,,
+1383628967,*C(=O)c1ccc(Oc2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.36913731,,,
+1384565570,*CCCCCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.37561448,,,
+1385095283,*Nc1cccc2c1-c1ccc(N*)c3cccc-2c13,,0.33425976,,,
+1385421838,*CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,,,0.3944285714285714,0.881825572,22.00194528
+1386193418,*Nc1ccc(C(CC)(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.36099654,,,
+1386252295,*CC(CS(=O)(=O)CC)O*,,0.36974777,,,
+1386318462,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5nc(-c6ccccn6)nnc5*)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.39042731,,,
+1386480271,*CC(*)n1c2ccccc2c2cc3ccccc3cc21,,0.38102074,,,
+1386834034,*CCCCCCCCCCCCCCCCOC(=O)NCc1ccc(CNC(=O)O*)cc1,,0.36337534,,,
+1387274327,*OC(C)C(=O)NC(C)C(*)=O,,0.33069722,,,
+1387462410,*CCN(*)C(=O)c1ccccc1F,,0.34924662,,,
+1387474634,*c1cc(C(c2ccc(OCCN(C)c3ccc(C=CC4=CC(=C(C#N)C(=O)OCc5ccc(Oc6c(F)c(F)c(F)c(F)c6F)cc5)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(c1ccccc1)c1ccc(C=CC2=CC(=C(C#N)C(=O)OCc3ccc(Oc4c(F)c(F)c(F)c(F)c4F)cc3)CC(C)(C)C2)cc1,,0.36411083,,,
+1387601413,*CCN(CCNC(=O)c1ccc2c(c1)C(=O)N(*)C2=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.34587663,,,
+1387608181,*CC(*)CCCCCCCCCCCCCCCCCCCC,21.77937998,,0.4019999999999999,,
+1387610033,*Nc1ccccc1NC(=O)c1ccc(C(*)=O)cc1,231.8080905,,,,
+1387678477,*c1ccc(-c2cnc3cc4ncc(*)nc4cc3n2)cc1,,0.44896941,,,
+1387768222,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c([N-][N+]#N)c4)cc3[N-][N+]#N)cc2)cc1,181.1592195,,,,
+1388155176,*Nc1ccc2c(c1N*)Cc1ccccc1C2,,0.3459074,,,
+1388167094,*C1c2cccc3cccc(c23)C1*,,0.40696221,,,
+1388289215,*CCCCNC(=O)C(=O)N*,,0.29824188,,,
+1388694213,*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,-98.70472035,,,,
+1388851619,*Nc1cccc2c1C(CCC)(CCC)c1c(N*)cccc1-2,,0.36616885,,,
+1388941962,*OP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.35035156,,,
+1389124790,*c1cccc(S(=O)(=O)c2cccc(N3C(=O)c4ccc(Oc5ccc(Sc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.36721228,,,
+1389236508,*CC(*)(C)C(=O)OC(COc1cc2ccccc2c2ccccc12)COc1cc2ccccc2c2ccccc12,,0.34422999,,,
+1389502780,*Nc1ccc2cc3c(N*)cccc3cc2c1,,0.3412073,,,
+1389796975,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccccc4-c4ccccc4C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37420624,,,
+1389935777,*CC(*)C(=O)NC,,0.31352975,,,
+1390124643,*c1c(C)cc(-c2cc(C)c(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.39879809,,,
+1390426236,*CC(*)c1cccc(OC(C)=O)c1,,0.34951316,,1.002961799,14.19064142
+1390442930,*CC(CCCCCCCC)COC(=O)NC(=O)c1cccc(C(=O)NC(=O)O*)c1,,0.33456199,,,
+1390880036,*Oc1ccc(-c2ccc(OC(=O)/C=C/c3ccc(/C=C/C(*)=O)cc3)cc2)cc1,,0.34195777,,,
+1390904524,*CC(*)(C)C(=O)OCC1CC(NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C,,0.36053611,,,
+1391196204,*CC(*)SCCCC,,0.42462566,,,
+1391471000,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5C(F)(F)F)C6=O)cc4)cc3)cc2)cc1,,0.38249401,,,
+1391471674,*NNC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ncccc2C)C3=O)cc(C(=O)NNC(=O)CCCC(*)=O)c1,,0.3253017,,,
+1391761944,*Cc1cc(C(C)(C)C)cc(*)c1O,,0.40309705,,,
+1392013159,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37421287,,,
+1392018017,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(-c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc1)C2=O,302.652739,,,,
+1392118578,*CCCCCCCCOC(=O)CCCCCNC(=O)c1ccc(C(=O)NCCCCCC(=O)O*)cc1,,,0.276,,
+1392601033,*Nc1ccc(C(=C(c2ccc(N)cc2)c2ccc(N*)cc2)c2ccc(N)cc2)cc1,,0.36763505,,,
+1393144437,*CCOC(=O)c1ccc(C2(C)CC(C)(C)c3ccc(C(=O)O*)cc32)cc1,,0.36910231,,,
+1393145054,*c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(C)(C)CCCCC(*)(C)C)cc5C4=O)cc3)cc1)C2=O,,0.36933669,,,
+1393359836,*C(=O)Nc1ccc(Sc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C6(c7ccc(Oc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7)NC(=O)c7ccccc76)cc5)cc3)C4=O)cc2)cc1,,0.36914488,,,
+1393430812,*Nc1ccc(CC[C@H](c2ccccc2)c2ccc(N*)cc2)cc1,,0.34550971,,,
+1394137835,*O[Si](C)(C)c1ccc2cc3cc([Si](*)(C)C)ccc3cc2c1,,0.407332,,,
+1394335529,*CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O*)c1ccccc1,,,0.354,,
+1394769597,*Nc1ccc2ccc3c4ccccc4ccc3c2c1N*,,0.34015504,,,
+1394885564,*c1ccc(-c2ccc(C(*)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38907083,,,
+1394969707,*OC(COC(=O)c1ccc(C)cc1C(*)=O)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.3633577,,,
+1395351360,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccc(C(C)(C)c6cccc(C(C)(C)c7ccc(Oc8ccc(C(=O)Nc9ccc(*)cc9)cc8)cc7)c6)cc5)cc4)cc3)cc12,,0.36813986,,,
+1395602302,*Oc1ccc(C(=O)c2ccc(*)cc2)cc1,,0.37786189,,1.182134646,25.66079856
+1395946154,*c1ccc(C(c2ccc(C#N)cc2)c2ccc(N(*)c3ccc(C)cc3)cc2)cc1,,0.45124557,,,
+1396011418,*Oc1ccc2c(c1)C(C)(c1ccc(OC(*)=O)cc1)CC2(C)C,,0.37135373,,,
+1396173463,*NC(=O)O[C@@H]1/C=C\C=C/[C@H](C)[C@@H](/C(C)=C/C(N)(N*)C(N)(N)C[C@]2(O)CC(=O)O[C@@H](CC)[C@H]2C)OC(=O)CC/C=C(\C)[C@H](C)[C@H](O)[C@@H]1C,,0.30358477,,,
+1396280832,*Nc1ccc2c(c1)-c1cc(N*)ccc1C2(C)C,,0.36307576,,,
+1396448482,*Nc1ccc(CCc2cc3ccc2CCc2ccc(c(CCc4ccc(N*)cc4)c2)CC3)cc1,,0.35371722,,,
+1396499237,*Nc1ccc([C@]23C[C@@]4(c5ccc(N)cc5)C[C@](c5ccc(N)cc5)(C[C@](c5ccc(N*)cc5)(C4)C2)C3)cc1,,0.37559858,,,
+1397085325,*Nc1cc(C)c(Cc2ccc(CCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35526555,,,
+1397226441,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)CCCCCCCCCCC6)cc5)cc4C3=O)cc2)cc1,,0.37598187,,,
+1397367740,*O[Si](C)(C)CCCCCCOC(=O)C(C)Oc1ccc(OC(=O)c2ccc(-c3ccc(OCCCCCCCCCC[Si](*)(C)C)cc3)cc2)cc1[N+](=O)[O-],,0.37268989,,,
+1397495008,*c1ccc(Oc2ccc(Oc3ccc(-c4cnc5ccc(-c6ccc7nc(*)cnc7c6)cc5n4)cc3)cc2)cc1,,0.38737398,,,
+1397532955,*CC(F)(F)C1(F)CC(CC(O)(C(F)(F)F)C(F)(F)F)CC1*,,0.32389296,,,
+1397660267,*CCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.34358239,,,
+1397915827,*NCCC[Si](C)(C)O[Si](C)(C)CCCN*,,0.37320765,,,
+1397995354,*c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36490067,,,
+1398649969,*c1cc(CCCCCCCCCCCCCCC)c(*)s1,,,0.3742499999999999,0.902739983,16.04613034
+1399574805,*CCCCCCN(C)C(=O)CCCC(=O)N(*)C,,0.35107943,,,
+1399918189,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5-c5ccccc5)C6=O)cc4)cc3)cc2)cc1,,0.38081371,,,
+1399962717,*c1cccc(S(=O)(=O)NCCCCNS(*)(=O)=O)c1,,0.33938166,,,
+1399980984,*CC(*)(C)C(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.348815,,,
+1400204987,*OC(CCl)COC(=O)C1=C(C(=O)OCC(CCl)OC(=O)c2ccc(C(*)=O)cc2)C2C=CC1C2,,0.35028816,,,
+1400904747,*Nc1cccc(-c2ccccc2-c2cccc3ccccc23)c1N*,,0.35403641,,,
+1401313512,*OP(=O)(Oc1c(Cl)cccc1Cl)Oc1c(Cl)c(Cl)c(*)c(Cl)c1Cl,,0.35947365,,,
+1401699288,*OC1C(C)(C)C(OC(=O)c2ccc(C(*)=O)cc2)C1(C)C,,0.37886333,,,
+1401767370,*CC(*)C(=O)OCCCSCC,,0.39575862,0.2155,1.049932374,13.79806606
+1401880967,*CC(*)(C)C(=O)OCCCCCCCCCCCCCCCC,,,0.26,,
+1401907543,*C(=C(C#N)c1ccc(C(=O)OC2CCN(*)CC2)cc1)c1ccc(OC)cc1,,0.38086854,,,
+1402707423,*CC(*)(C)C(=O)OCCC(C)CC(C)(C)C,,0.37283397,0.198,,
+1403025307,*CC(*)Cc1ccccc1C,,0.37559758,,,
+1403056181,*Nc1ccc(-c2ccc(N*)cc2-c2cccc(C)c2)cc1,,0.35636161,,,
+1403885669,*C(F)(F)C(F)(F)C1(F)C(*)(F)OC(F)(F)C1(F)F,,,0.1265,1.564699369,19.456651
+1404736558,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCC)cc1,,0.34457254,,,
+1404881179,*Oc1ccc(OC(=O)Oc2ccc(C(C)(C)c3ccc(OC(*)=O)cc3)cc2)cc1,,0.34624319,,,
+1404906780,*CC(*)c1c(C)cc(C)cc1C,,0.40245926,0.1669999999999999,,
+1405342945,*CC(*)(C)C(=O)OCCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])c3ccccc23)cc1,,0.35424799,,,
+1405483472,*c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(S(*)(=O)=O)cc3)cc(S(=O)(=O)c3ccccc3)c2)cc1,,0.35464323,,,
+1405504097,*c1ccc2c(c1)C(=O)N(c1ccc(OCCCCCCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.35628749,,,
+1405932277,*C1CCC(CC2CCC(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)CC2)CC1,,0.36947651,,,
+1406114427,*Nc1ccc([C@H](C=C)c2ccc(C3(c4ccc([C@@H](C=C)c5ccc(N*)cc5)cc4)CCC(CCCC)CC3)cc2)cc1,,0.36703684,,,
+1407338879,*C(=O)c1cc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cc(-c2ccccc2)c1,,0.37734538,,,
+1408229683,*CC(*)(C)C(=O)OCc1ccccc1Cl,,0.35759108,0.159,1.151611779,13.32041855
+1408675476,*Oc1ccc(C(c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,150.9011854,,,,
+1408691704,*Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=S)NC(=O)CCCCC(=O)NC(*)=S)c3)c2)c1,,0.33460461,,,
+1408899479,*CCCCCCCCCCCCCCC(=O)N*,,0.37887581,0.389,0.89024336,23.00931982
+1409017581,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6nc(-c7ccccn7)nnc6*)cc5)cc4)c3)cc2)cc1,,0.37990238,,,
+1409490636,*Nc1ccc(C)c2c(N*)cccc12,,0.33694341,,,
+1409584413,*CC(*)c1ccccc1C(=O)NC,,0.35557991,0.1836666666666666,,
+1409830378,*CC(OC)C1C(=O)OC(=O)C1*,,0.287972,,,
+1409947542,*CC(*)(C)C(=O)OCCC1CCCCC1,,0.36923892,,,
+1410914942,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(c4cc(C)c(*)c(C)c4)(C(F)(F)F)C(F)(F)F)cc3C)cc2)cc1,,0.39642368,,1.103576244,21.11102867
+1411169396,*Oc1cc(CCCCCCCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.37339649,,,
+1411192314,*c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(=O)c5ccc(NC(=O)Nc6ccc(-c7cc(-c8ccc(-c9ccccc9)cc8)cc(-c8ccc(NC(=O)Nc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)n7)cc6)cc5C4=O)cc3)n2)cc1,,0.3711086,,,
+1411288736,*CC(=O)NCCCCCCNC(=O)CC1COC(*)CO1,,0.32963111,,,
+1411415365,*CCOC(=O)c1cc(C(=O)O*)cc(C(C)(C)C)c1,,0.35812909,,,
+1411771596,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=C4CCCC(=Cc5ccc(*)cc5)C4=O)cc3)cc2)cc1,,0.37492274,,,
+1411897079,*c1ccc(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4ccc(N5C(=O)CC(SCCOCCSC6CC(=O)N(*)C6=O)C5=O)cc4)cc3)cc2)cc1,,0.34542063,,,
+1412120720,*Nc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(C(=O)NC(*)=S)cc3)c2)c1,,0.33903798,,,
+1412223212,*CC(*)(C)C(=O)OCc1ccc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c1,,0.35316611,,,
+1412767415,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(S(=O)(=O)c4ccc(O*)cc4)cc3)cc2)cc1,,0.34762026,,,
+1412954804,*CC(*)c1ccc(COc2ccc(-c3ccc(-c4ccc(C)cc4)c4nsnc34)cc2)cc1,,0.35943603,,,
+1413330755,*C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6c5)cc3)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35976848,,,
+1413610901,*Oc1ccc(OC(=O)c2cc(OCCCCCCCOCC3CCCN3c3ccc([N+](=O)[O-])cc3)c(C(*)=O)cc2OCCCCCCCOCC2CCCN2c2ccc([N+](=O)[O-])cc2)cc1,,0.35542806,,,
+1413611773,*Oc1cc(C)c(*)c(C)c1Br,,0.42901007,,,
+1413837140,*CC(*)(C)C(=O)OCSC,,0.36623582,,,
+1414225049,*CC(*)C(=O)NCC,55.10481694,,,,
+1415337639,*CCOCCOCCOCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.3414643,,,
+1415406733,*C(=O)CCCCC(=O)c1ccc(C=C2CCC(=Cc3ccc(*)cc3)C2=O)cc1,197.4539358,,,,
+1415457510,*Nc1cc2ccccc2c(-c2cccc(C)c2)c1N*,,0.35472795,,,
+1416739755,*Nc1cccc(C2(c3cccc(N*)c3C)c3ccccc3-c3ccccc32)c1C,,0.371195595,,,
+1417031371,*CC(*)c1cc(Br)ccc1OC(C)C,,0.4237647,0.124,,
+1417043259,*Nc1ccc(C2=CC(C)(C)[C@H](N*)C(C)(C)C2)cc1,,0.36534008,,,
+1417054451,*Nc1ccc(/C=C/c2ccc(N*)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.36615587,,,
+1417361969,*CC(*)c1ccc(C(=O)N2CCCCC2)cc1,,0.37271412,,,
+1417768053,*Nc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(NC(=O)c3ccc4c(c3)Cc3cc(C(*)=O)ccc3-4)cc2)cc1,,0.37694297,,,
+1417800703,*Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(N=Nc5ccc([N+](=O)[O-])cc5)cc4)c4cccc(OC(=O)OCCOCCOC(*)=O)c4)cc3)cc2)c1,,0.37231044,,,
+1417827855,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(N8C(=O)c9ccc(*)cc9C8=O)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.36551103,,,
+1418585210,*CC(*)c1cccc(O)c1,,0.34145083,,,
+1418607549,*CC(*)c1ccc(CCl)cc1,,0.38772297,,,
+1418628819,*CC(CO*)(CSC)CSC,,0.41704128,,,
+1419016384,*CC(*)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,,,0.2135,1.12679408,12.43938389
+1419552421,*Nc1ccccc1C(c1ccccc1)(c1ccccc1N)c1ccccc1N*,,0.37480672,,,
+1420611006,*CCCC1(C)CCN(C(=O)CCCC(=O)N2CCC(*)(C)CC2)CC1,,0.3501927,,,
+1420737735,*N[C@@H](CCCC(=O)[C@](N)(CS)C(=O)O)C(=O)[C@@](CS)(N*)C(=O)O,,0.30543387,,,
+1420812496,*OC(COC(=O)c1cc(C(*)=O)cc(C(C)(C)C)c1)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.37044454,,,
+1421209921,*Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)CCCCCCC(*)=O,,0.33135982,,,
+1421320527,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OC(C)C)cc1,,0.33859086,,,
+1421392945,*CNC(=O)OCC(OC(=O)NCc1ccc(C(C)(C)c2ccc(*)o2)o1)c1ccco1,,0.34356107,,,
+1421653372,*OP(=O)(Oc1ccc(C)cc1)Oc1c(C)cc(S(=O)(=O)c2cc(C)c(*)c(C)c2)cc1C,,0.36875805,,,
+1421658168,*Nc1ccc(-c2ccc(Cc3ccccc3)cc2)c(C)c1N*,,0.34585663,,,
+1421896070,*CCN(*)C(=O)CCCCCCC,,0.37652091,,,
+1421909568,*NCCOCCN*,,0.310244355,,,
+1422009513,*CC(*)C1CCCC1,,,0.2016666666666666,,
+1422047403,*C[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](*)(C)C,,0.44384338,,,
+1422066716,*c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc4ccc(N(*)c5ccc(OC)cc5)cc4c3)cc2)cc1,,0.43192443,,,
+1422469487,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccc(C(F)(F)F)cc5)C6=O)cc4)cc3)cc2)cc1,,0.38077033,,,
+1422560601,*NC(C)(C)C(C)(C)N*,,0.338250255,,,
+1423269762,*CCCCCCCC(=O)OCCOC(=O)CCCCCCCC1OCC2(COC(*)OC2)CO1,,0.34857545,,,
+1423401067,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5cccc(*)n5)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.39554354,,,
+1423424888,*Nc1c(N*)c2cc3ccccc3cc2c2cc3ccccc3cc12,,0.34595266,,,
+1423530794,*c1ccc(Oc2ccc(N3C(=O)N4C(c5ccc(OC)cc5)N(*)C(=O)N4C3c3ccc(OC)cc3)cc2)cc1,,0.39684923,,,
+1424144967,*c1ccc(C(C)c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1,307.2645731,,,,
+1424387141,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.35411311,,,
+1424467870,*Nc1ccc(Cc2cccc(Cc3ccc(N*)cc3)c2)cc1,,0.3462571,,,
+1426385152,*CCCOc1ccc(OCCCc2nnc(-c3ccc(-c4nnc(*)o4)cc3)o2)c(C)c1,,0.37021373,,,
+1426651085,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(Oc4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)c3)cc1)C2=O,,0.36867528,,,
+1426845091,*Oc1ccc(N=C(C)c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(C(C)=Nc6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38825618,,,
+1426880410,*CC(*)(F)C(=O)OC(C(F)(F)F)C(F)(F)F,,0.31561364,,,
+1426978607,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc4c(=O)n5c6cc(-c7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.37552366,,,
+1427121961,*CC(C)(N=C=O)C1C(=O)OC(=O)C1*,,0.29181625,,,
+1427163348,*C1C(=O)N(c2cc(Br)c(O[Si](C)(C)C(C)(C)C)c(Br)c2)C(=O)C1*,,0.46658823,,,
+1427715399,*c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccccc3)(c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)C(F)(F)F)cc1)C2=O,,0.40799156,,,
+1428013665,*CCCCCCCCOC(=O)c1cccc(C(=O)O*)c1,,0.35394853,,,
+1428459269,*CCCP(CCCNC(=O)N*)c1ccccc1,-49.19787298,,,,
+1429766327,*Nc1ccc(-c2ccc(-c3ccc(N*)cc3)c3ccccc23)cc1,,0.35146434,,,
+1429793294,*Nc1cc(N*)c(N)cc1N,,0.32432141,,,
+1430116322,*CC(SS*)c1ccccc1,,0.40293208,,,
+1430315937,*CC(O)COc1cccc(O*)c1,,0.33076501,,,
+1430519110,*C(=O)c1ccc(C(=O)c2ccc(C=C3CCCC(=Cc4ccc(*)cc4)C3=O)cc2)cc1,240.3798309,,,,
+1430804351,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1-c1ccccc1,,0.3631401,,,
+1431061733,*CC(*)c1ccc(Cl)c([N+](=O)[O-])c1,,0.45234816,,,
+1431221596,*c1cccc(NC(=O)CCCCCCCCCCC(=O)Nc2cccc(S(*)(=O)=O)c2)c1,,0.35368633,,,
+1431937128,*CC(*)(C)C(=O)Oc1ccc(C(=O)Oc2ccc(C)cc2)cc1,,0.34694127,,,
+1432698021,*CC(*)OC(=O)c1ccc([Si](C)(C)C)cc1,,0.40244256,,,
+1432821779,*CCN(CCOC(=O)c1ccc([Si](C)(C)c2ccc(C(=O)O*)cc2)cc1)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.3656424,,,
+1432826264,*CCCCOC(=O)c1cccc(C(=O)O*)c1,,0.33869423,,,
+1433887505,*NC1CCC(CC(C)(C)NC(=O)CCCCC(*)=O)CC1,,0.33902943,,,
+1434137991,*CCCCCCCCSSCCCCSS*,,,0.192,,
+1434167997,*/C=C/CCCCCCCCCC(Cl)CCCCCCCCC*,,,0.3419999999999999,0.878956685,20.00761368
+1435049128,*CC(*)(C)C(=O)OCCCCCC(=O)Oc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1,,0.34387044,,,
+1435571706,*CC(F)(F)CC(*)(C(F)(F)F)C(F)(F)F,,0.3151687,,,
+1435785371,*CCCCCOC(=O)CCCCSCCCCC(=O)O*,,,0.202,,
+1436177841,*CC(*)C1CCC(C(C)(C)C)CC1,,0.41878097,,,
+1436330682,*c1ccc2c(c1)C(=O)N(c1ccc(C(C)(C)c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.40114484,,,
+1436575335,*Nc1ccc2c(c1)C(C)(C)c1cc(N*)ccc1-2,,0.36132753,,,
+1436896741,*CC(*)(C)C(=O)OCCN(CC)c1ccccc1,,0.36250293,,,
+1437172858,*Nc1ccc(NC(=O)c2cc(NC(=O)c3ccncc3)cc(C(*)=O)c2)cc1,,0.33138478,,,
+1437182858,*Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=S)NC(=O)c4ccc(C(=O)NC(*)=S)cc4)c3)c2)c1,,0.33973914,,,
+1437198887,*CCCC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)CCCN4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.33944014,,,
+1437455994,*CC(*)c1cccc2ccccc12,,,0.194,0.993182994,12.95937506
+1437522401,*C=CC1=C(*)CC(C(=O)OCC)(C(=O)OCC)C1,,0.37814836,,,
+1437709159,*Nc1ccc2ccccc2c1-c1ccc2ccccc2c1N*,,0.35558527,,,
+1437848848,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(S(*)(=O)=O)cc4)cc3)cc2)s1,,0.3741321,,,
+1438275910,*c1ccc(Oc2ccc(-c3csc(N=Cc4ccc(OCCCCCCCCOc5ccc(C=Nc6nc(*)cs6)cc5)cc4)n3)cc2)cc1,,0.37304106,,,
+1438410833,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.34168737,,,
+1438539748,*CCCOC(=O)OCCCCCCOC(=O)OCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.32872339,,,
+1439560323,*CCCC(=O)NCCCCCCNC(=O)CCCOC(=O)c1ccc(C(=O)O*)cc1,60.02078862,,,,
+1439590900,*Oc1ccc(NC(=O)Nc2ccccc2CCc2ccc(NC(=O)Nc3ccc(*)cc3)cc2)cc1,,0.34891233,,,
+1439796054,*c1ccc(C(c2ccc(N3C(=O)c4cc5c(cc4C3=O)C(C(F)(F)F)(C(F)(F)F)c3cc4c(cc3O5)C(=O)N(*)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.42823132,,,
+1439837660,*C(=O)Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6cccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)c6)cc4)C5=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36700382,,,
+1439947780,*Nc1ccc(C(c2ccc(N*)cc2)c2ccc(C(C)C)cc2)cc1,,0.36575628,,,
+1441154602,*Nc1ccc2ccc3ccc(N*)c4ccc1c2c34,,0.33563497,,,
+1441221742,*CCCOC(=O)CCCCCC(=O)O*,-71.28231613,,,,
+1441373602,*c1ccc(C(=O)Nc2ccc(-c3cc(Br)ccc3NC(=O)c3ccc(S(*)(=O)=O)cc3)cc2)cc1,,0.36672831,,,
+1441731142,*c1ccc(Cc2ccc(NC(=O)c3cccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)c3)cc2)cc1,,0.35744351,,,
+1441736260,*CCCCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,0.35004101,,,
+1442807010,*CC(*)(F)C(=O)OCC(F)(F)F,,0.31655801,,,
+1443435953,*Nc1ccc2c3cccc4cccc(c5c(N*)ccc1c25)c43,,0.33627702,,,
+1443684978,*c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc(Sc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.36479388,,,
+1443853019,*CC(*)C(=O)NCCCCCCCCCCCCCC,,,0.3746666666666667,0.86728938,11.91385451
+1443895665,*Nc1ccccc1-c1cc(-c2ccccc2N)cc(-c2ccccc2N*)c1,,0.34714968,,,
+1443962559,*CC(=O)NCCCCCCNC(=O)COC(=O)CCCCCCCCC(=O)O*,,0.33901503,,,
+1444001096,*CC(*)C(=O)OCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.35282472,,,
+1444443456,*CC(*)C(=O)OC1CCCCC1,,0.36637018,0.201,0.975831621,11.16519036
+1444497775,*Nc1ccc2c(c1)C(C)(C)c1cc3cc4ccc(N*)cc4cc3cc1-2,,0.366552245,,,
+1444677131,*c1ccc(NC(=O)c2ccc(OCCOCCOCCOCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)cc1,,0.34281464,,,
+1444682939,*Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=S)NC(=O)c4cccc(C(=O)NC(*)=S)c4)c3)c2)c1,,0.34030013,,,
+1444841962,*c1ccc(Oc2ccc(-c3csc(N=Cc4ccc(OCCCCOc5ccc(C=Nc6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,104.0626058,,,,
+1446315012,*Nc1ccc2c(C)c3cc(N*)ccc3c(C)c2c1,,0.34480504,,,
+1446335630,*Nc1ccc(C(CCCC[C@H]2CC[C@H](/C=C\[C@H]3CC[C@H](CCC)CC3)CC2)(CCCC[C@H]2CC[C@H](/C=C\[C@H]3CC[C@H](CCC)CC3)CC2)c2ccc(N*)cc2)cc1,,0.376234835,,,
+1446403769,*Oc1ccc(Oc2cccc(*)n2)c(-c2ccccc2)c1,,0.36427467,,,
+1446406615,*Nc1ccc(C2(c3ccc(N*)cc3)c3cccc(N)c3-c3c(N)cccc32)cc1,,0.36840054,,,
+1446517158,*CC(*)c1ccc(C(C)(C)O)cc1,,0.3711129,0.2316666666666666,0.934073122,12.4288407
+1446956621,*CC(*)C(=O)Oc1ccc(C(C)(C)C)cc1,,0.37651726,0.2245,0.958441992,10.3213082
+1447075360,*CCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCNC(=O)C(=O)N*,,,0.3195,0.945505999,21.31594048
+1447287020,*CCCOC(=O)c1ccc(C(=O)O*)cc1,,0.33381899,,,
+1447445383,*Oc1ccc(C(C)(C)c2ccc(Oc3nc(*)nc(OC)n3)cc2)cc1,121.2094568,,,,
+1447629123,*Oc1ccc(Oc2ccc(OC(*)=O)cc2)cc1,,0.34396355,,,
+1447631278,*Oc1cccc(Oc2cccc(*)c2)c1C#N,,0.37237337,,,
+1448332716,*CC(*)(CC(=O)OCCCCCCCC)C(=O)OCCCCCCCC,,0.38613046,,,
+1448341292,*Oc1c(-c2ccccc2)cc(*)cc1-c1ccccc1,,,,1.041525617,16.01472431
+1448448374,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,,0.37622546,,,
+1448731732,*Nc1cccc(-c2c3ccccc3cc3ccccc23)c1N*,,0.34840678,,,
+1449297338,*CCCCCCCCCCCCCCCCCCCCOC(=O)COCC(=O)O*,,,0.3249999999999999,0.930690382,21.36408001
+1449481867,*CC(*)C(=O)OCCc1ccccc1,,0.35483589,0.196,1.060028456,12.57995644
+1449543209,*c1cc(CCCCCCCCCCCCCC)c(*)s1,,,0.4182499999999999,0.91341608,16.14848283
+1449552519,*CCCCCOC(=O)c1ccccc1C(=O)O[Cd]OC(=O)c1ccccc1C(=O)OCCCCCOC(=O)NCCCCCCNC(=O)O*,,0.3810089,,,
+1450236105,*C#Cc1cccc(C#C[Si](*)(C)C)c1,,0.49595595,,,
+1450460730,*Oc1ccc(C(C)(CCC(=O)O)c2ccc(OC(=O)c3cccc(C(*)=O)c3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-],127.0784722,,,,
+1450812051,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1C(F)(F)F,,0.33995878,,,
+1450851242,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OC)cc1,,0.33262746,,,
+1451556354,*CC(*)c1ccc(F)cc1,,,,0.989259062,16.36886102
+1451589071,*c1ccc2cc(OC(=O)c3ccc(C(=O)Oc4ccc5cc(-c6nc7ccccc7nc6*)ccc5c4)cc3)ccc2c1,,0.37059699,,,
+1451687458,*Nc1ccc(-c2ccc(NC(=O)c3cc(C(*)=O)cc(S(=O)(=O)c4ccccc4)c3)cc2)cc1,,0.35263573,,,
+1451767844,*SC(C)C(*)=O,,0.38098783,,,
+1452233273,*CC(CCCC)(CCCC)C(=O)O*,-17.98562642,,,,
+1452416309,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5nc(-c6cccc(-c7nc(*)c(-c8ccccc8)[nH]7)c6)[nH]c5-c5ccccc5)cc4)cc3)cc2)cc1,,0.39966133,,,
+1452761460,*Cc1cccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)N*)c1,,0.34299947,,,
+1452778640,*CCCOC(=O)C1CCC(C(=O)O*)CC1,,0.33783784,0.222,1.082251488,20.95656384
+1453017209,*C=C(*)c1ccc([N+](=O)[O-])cc1,-12.60583746,,,,
+1453388212,*COC(=O)Nc1ccc(Cc2ccc(NC(=O)OCc3ccc(*)o3)cc2)cc1,,0.3423126,,,
+1453450335,*Oc1cccc(Oc2cccc(NC(=O)c3cc(Oc4ccc(C(=O)O)c(C(=O)Nc5cccc(*)c5)c4)ccc3C(=O)O)c2)c1C#N,,0.33531487,,,
+1453479470,*Nc1ccc(C2(c3ccc(N*)cc3C)CCCCC2)c(C)c1,,0.35510458,,,
+1453811128,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O,,0.35651308,,,
+1453894655,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=C)c4ccc(*)cc4)cc3)cc2)cc1,,0.37206608,,,
+1453979051,*Nc1cc(Oc2ccccc2)c(N*)c2c1C(=O)c1c(N)c(Oc3ccccc3)cc(N)c1C2=O,,0.34012349,,,
+1454170504,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(C)(C)c3ccc(C(C)(C)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)cc1)C2=O,,0.39003172,,,
+1454388009,*c1ccc(-c2ccc(N(*)c3ccc(C(F)(F)F)cc3)cc2)cc1,,0.44845876,,,
+1454873499,*Oc1ccc(Oc2ccc(C=Nc3ccc(Oc4ccc(N=Cc5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.37351245,,,
+1455090776,*Nc1ccc(-c2ccccc2)c(-c2ccc(N*)c3ccccc23)c1-c1cccc2ccccc12,,0.36684133,,,
+1455134437,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(P(=O)(c4ccccc4)c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)c2)C3=O)cc1,,0.3614848,,,
+1455221251,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCC(C)C)cc1,,0.34198543,,,
+1455433082,*CCN(*)C(C)=O,,0.32742534,,,
+1455448064,*c1ccc(Oc2ccc(-c3c(-c4ccccc4)nc4ccc(-c5ccc6nc(-c7ccccc7)c(*)c(-c7ccccc7)c6c5)cc4c3-c3ccccc3)cc2)cc1,,0.40050787,,,
+1455477899,*C(=O)CCCCCCCCC(=O)N1CCN(*)CC1,,0.3439724,,,
+1455663460,*Nc1ccc([C@]2(C)c3cc(N*)ccc3[C@@H](C)[C@H]2C)cc1,,0.3637627799999999,,,
+1455763004,*CC(*)C(=O)c1ccc(C)c(C)c1,,0.3826776,,,
+1455946712,*Nc1ccc(-c2cccc3c2[C@@H](c2ccc(N*)cc2)c2ccccc2C3)cc1,,0.36094468,,,
+1456134582,*CCCCCCNC(=O)CCP(=S)(CCC(=O)N*)c1ccccc1,,0.34436665,,,
+1457502415,*c1ccc(Cc2ccc(N3C(=O)c4cc(-c5ccc([Si](C)(C)C)cc5)c(-c5cc6c(cc5-c5ccc([Si](C)(C)C)cc5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.43467136,,,
+1457793219,*CC(CCCCCCOc1ccc(N=Nc2ccc(C(F)(F)F)cc2)cc1)COC(=O)CCCCC(=O)O*,,0.35608461,,,
+1458472862,*C(=O)Nc1ccc(Oc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6c5)cc3)C4=O)c2)cc1,,0.35874109,,,
+1458806978,*Nc1c(CC)cc(C2(c3cc(CC)c(N*)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C,,0.40355199,,,
+1458835114,*CC(*)c1ccc(C#N)cc1,,0.40396396,,,
+1458927340,*CCN(CCOC(=O)c1ccc(C(=O)O*)c(OCCC)c1)c1ccc(N=Nc2ccc(-c3nc4ccccc4o3)cc2)cc1,,0.36708551,,,
+1458930812,*CCCCCCCCCCCCc1nc2ccc(-c3ccc4nc(*)oc4c3)cc2o1,,0.39112847,,,
+1459842972,*N[C@H]1OC(N)(N*)NC1=O,,0.29071263,,,
+1459846963,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.35492786,,,
+1460712253,*CCCCCCCCCNC(=O)C(OC)C(OC)C(=O)N*,,0.35120821,,,
+1460910986,*Nc1ccc(-c2c(-c3ccc(C(c4ccccc4)c4ccccc4)cc3)cc(-c3cccc(N*)c3)cc2-c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1,,0.36459266,,,
+1461036801,*C=C(*)CCCCCCCCCCOc1ccc(-c2ccc(OCC(F)CCCCCC)cc2)cc1,27.34580481,,,,
+1461767577,*c1ccc(Oc2ccccc2Oc2ccc(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.36199186,,,
+1461784308,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(C(C)(C)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5)cc4C3=O)cc2)cc1,,0.395355,,,
+1461861414,*c1ccc(-c2nnc(*)o2)c(OCCCCCCCCCC)c1,,0.41425345,,,
+1462340201,*C1CC2CC1C(*)C2CCCC,,0.41628236,,0.793157119,12.17988527
+1462614613,*OP(=O)(Oc1ccc(*)cc1)OC1CCCCC1,,0.35761127,,,
+1462748332,*c1ccc(-c2nc3ccc(-c4ccc5nc(*)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1,,0.53276928,,,
+1462931199,*N=P(*)(OCCCCCCC)OCCCCCCC,,0.40469164,,,
+1463007614,*CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,,,0.4337499999999999,0.890200365,20.23441523
+1463085835,*c1ccc(Oc2cc3ccccc3cc2Oc2ccc(N3C(=O)c4ccc(Oc5ccccc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.35912156,,,
+1463095437,*Oc1ccc(N=CC=Nc2ccc(OC(=O)Nc3ccc(Cc4ccc(NC(*)=O)cc4)cc3)cc2)cc1,,0.35769059,,,
+1463175891,*C([2H])([2H])C(*)(C([2H])([2H])[2H])C([2H])([2H])[2H],85.2671101,,,,
+1463811998,*CCCCCCCCCCOC(=O)C(=O)O*,-65.08541819,,,,
+1464019841,*Oc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(Oc5ccc(C6(c7ccc(*)cc7)CC7CCC6C7)cc5)cc4)cc3)cc2)cc1,,0.3665982,,,
+1464421877,*Oc1ccc(OC(=O)c2cc(OCCCCCCCCCCCC)c(C(*)=O)cc2OCCCCCCCCCCCC)cc1-c1ccccc1,,0.38150674,,,
+1464436894,*c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(Sc7ccc(-c8c(-c9ccccc9)c(-c9ccccc9)c(*)c(-c9ccccc9)c8-c8ccccc8)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4C3=O)cc1)C2=O,,0.40791529,,,
+1464819967,*Nc1ccc(-c2c(C)cccc2C2(c3cccc(C)c3-c3ccc(N*)cc3)CCCCC2)cc1,,0.37034703,,,
+1465340291,*CC(*)(C)C(=O)NC(=O)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,,0.31639128,,,
+1465942783,*CC(*)c1ccc(OC(C)=O)cc1,,0.35340606,0.2005,1.037413892,13.82349277
+1466879267,*CC(*)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.31737027,,,
+1467166248,*CC(*)C(=O)OC(C(F)(F)F)C(F)(F)F,,0.32320653,,,
+1467252065,*CC(O)CCCCC(O)CN(*)c1ccc(N(C)C)cc1,,0.35960485,,,
+1468461975,*c1ccc(Oc2ccc(N3C(=O)C4CCC5C(=O)N(*)C(=O)C5C4C3=O)cc2)cc1,,0.36953337,,,
+1468518443,*CC(*)(C)C(=O)OCCCCCC,,,0.184,0.903441723,11.78953051
+1468882159,*CC(CBr)O*,,0.39889944,,,
+1468958338,*Nc1cccc2cc3cccc(N*)c3cc12,,0.33370765,,,
+1469078897,*CCc1ccc(*)c(C)c1,,0.39177788,,,
+1469251580,*Nc1ccc(-c2c(C)cc(C3(c4cc(C)c(-c5ccc(N*)cc5)c(C(C)C)c4)c4ccccc4-c4ccccc43)cc2C(C)C)cc1,,0.4084913999999999,,,
+1469266389,*CC(C)(C)COC(=O)NC1CCC(CC2CCC(NC(=O)O*)CC2)CC1,15.9792949,,,,
+1469368089,*CCN(CCOC(=O)c1ccc(C(=O)O*)cc1)c1ccc(C=C(C#N)C#N)cc1,,0.35440714,,,
+1469495249,*C(=O)Oc1ccc([Si](C)(C)c2ccc(OC(=O)c3ccc(*)s3)cc2)cc1,,0.37656746,,,
+1469675356,*O[Si](C)(C)O[Si](C)(C)O[Si](*)(C)c1c(F)c(F)c(F)c(F)c1F,,0.40336035,,,
+1469897580,*CC(*)(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.36995915,,,
+1470418130,*c1ccc(Cc2ccc(N3C(=O)N(c4ccc(Cc5ccc(N6C(=O)N(*)C(C)(C)C6=O)cc5)cc4)C(=O)C3(C)C)cc2)cc1,,0.4025765,,,
+1470645091,*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O,,0.41157762,,,
+1470768847,*CC(*)C(=O)OCCCCCCOc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36065471,,,
+1470774077,*c1ccc(Oc2ccccc2Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.36576424,,,
+1471142716,*C=C(c1ccc(*)cc1)c1ccc(C(F)(F)F)cc1,,0.40375931,,,
+1472109489,*CCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.34468789,,,
+1472118288,*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)F,,0.32568695,,,
+1472271341,*CCCCCCCCCCCCOc1ccc(C(C)(C)c2ccc(OCOc3ccc(C(C)(C)c4ccc(O*)cc4)cc3)cc2)cc1,,0.36755988,,,
+1472751426,*c1cc(N2C(=O)c3ccc(P(=O)(c4ccccc4)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc(C(F)(F)F)c1,,0.3984853,,,
+1473380579,*c1ccc2c(c1)C(=O)N(c1c(C)cc(-c3cc(C)c(-c4cc(C)c(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C)c4)cc3C)cc1C)C2=O,,0.42965902,,,
+1473395922,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc%12c(c%11)C(=O)N(*)C%12=O)cc%10)CCCCCCCCCCC9)cc8)cc7C6=O)cc5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1,,0.38174277,,,
+1473570358,*C(=O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.37060615,,,
+1473690215,*Nc1ccc2c(c1)C(c1ccccc1N)(c1ccccc1N*)c1cc(N)ccc1-2,,0.3674954,,,
+1473745481,*C1CCC1*,69.57488221,,0.163,0.823406686,14.41189122
+1474070468,*Oc1c(C(C)(C)C)cc(C(*)=O)cc1C(C)(C)C,206.7951116,,,,
+1474131719,*Oc1ccc(C(C)(C)c2ccc(OC(=O)Sc3ccc(C(C)(C)c4ccc(SC(*)=O)cc4)cc3)cc2)cc1,,0.35298003,,,
+1474494101,*Oc1ccc(Sc2ccc(Sc3ccc(Sc4ccc(*)cc4)cc3)cc2)cc1,,0.38951806,,,
+1474888709,*CC(*)(C)C(=O)OCc1ccc(OCCOCCOCC)c(OCCOCCOCC)c1,,0.35596618,,,
+1474909304,*CCCCCNc1nc(NCCCCCc2nc3cc(-c4ccc5[nH]c(*)nc5c4)ccc3[nH]2)nc(N(CC)CC)n1,,0.37614223,,,
+1474978524,*CCCN(*)C(=O)CC,,0.34854625,,,
+1475222377,*C(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(-c4cccc(-c5nc6cc(*)ccc6[nH]5)c4)nc3c2)c1,,0.37766539,,,
+1475370376,*C(=O)c1cccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)cc4)cc2)C3=O)c1,,0.36035989,,,
+1475746225,*O[Si](*)(C)CCCCCCCCCCCOc1ccc(/C=C/c2ccc(OCCCC)cc2)cc1,,0.38608209,,,
+1476123993,*CC=CCOC(=O)C(Cc1ccccc1)NC(=O)CCCCC(=O)NC(Cc1ccccc1)C(=O)O*,,0.34434051,,,
+1476310950,*c1[nH]c(*)c(CC(=O)OCCCCCCCCCCCC)c1CC(=O)OCCCCCCCCCCCC,,,0.2794999999999999,0.913558675,11.77651013
+1476461237,*Oc1ccc(P(=O)(c2ccccc2)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.39008003,,,
+1476641400,*Nc1ccc2c(c1)C(C)(C)CC21CC(C)(C)c2cc(N*)ccc21,,0.380516755,,,
+1476707326,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccccc5-c5ccccc5Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.36139938,,,
+1476896117,*CC(*)c1ccccc1OC,160.10962,,0.1946666666666666,,
+1476896274,*c1cccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4cccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)c4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1,,0.37976208,,,
+1476946894,*c1cccc(NC(=O)CCCCCCC(=O)Nc2cccc(S(*)(=O)=O)c2)c1,,0.34455896,,,
+1477172876,*CC(*)C[Si](C)(C)C,,0.41950012,,,
+1477353024,*N=P(*)(Nc1ccccc1)Nc1ccccc1,,0.38717322,,,
+1477468420,*Cc1ccc(COP(=O)(N=Nc2ccc(Oc3ccc(N=NP(=O)(O*)OC)cc3)cc2)OC)cc1,,0.35571352,,,
+1477631774,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6)cc5)cc3)C4=O)cc2)cc1,,0.36567383,,,
+1477890619,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4C)cc3)cc2)cc1,,0.35751398,,,
+1478638391,*CC(*)(C)C(=O)OCCOCCOCCOCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35894931,,,
+1479037928,*c1cc(Br)c(OC(=O)c2cccc(C(=O)Oc3c(Br)cc(C4(*)OC(=O)c5ccccc54)cc3Br)c2)c(Br)c1,245.9668197,,,,
+1479528015,*Nc1ccc(-c2ccc(N*)c(-c3ccc(N)cc3)c2)cc1,,0.34495239,,,
+1479577775,*Oc1ccc(N=Cc2ccc(N(c3ccccc3)c3ccc(C=Nc4ccc(*)cc4)cc3)cc2)cc1,,0.39892551,,,
+1479997464,*CCCCCCCNC(=O)CCCCCCCCC(=O)N*,,,0.3235,0.943364885,20.0736371
+1480032186,*Nc1ccc(C2(c3ccc(N*)cc3CC)c3ccccc3-c3ccccc32)c(CC)c1,,0.37129273,,,
+1480316431,*Nc1ccc(C(c2ccccc2)c2ccc(N*)cc2)cc1,,0.35100351,,,
+1480445744,*Nc1ccc(NC(=O)c2ccc(NC(=O)C=Cc3ccc(C=CC(=O)Nc4ccc(C(*)=O)cc4)cc3)cc2)cc1,169.7759737,,,,
+1480784338,*c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nnc(-c4ccc(-c5nnc(*)o5)o4)o3)cc2)cc1,,0.47072462,,,
+1480818126,*C=Cc1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,,0.38664092,,,
+1480945963,*CC(CSCCC)O*,,0.41871813,,,
+1481083200,*Oc1ccc(SSCCCCSSc2ccc(*)cc2)cc1,102.260186,,,,
+1481177497,*CCC1C(=O)N(CCC)C(=O)C1*,,0.34544005,,,
+1481191612,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.3609597,,,
+1481448213,*Nc1cc([N+](=O)[O-])c(NC(=O)CCCCCCCCC(*)=O)cc1C=Cc1ccc(N(C)C)cc1,,0.35183378,,,
+1481540874,*CCCCCCNC(=O)CCCC(=O)O*,,0.33848118,,,
+1482021173,*CC(C)C(=O)N*,,0.32319229,,,
+1482072500,*c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(N4C(=O)c5ccc(Oc6cccc7c(Oc8ccc9c(c8)C(=O)N(*)C9=O)cccc67)cc5C4=O)cc3)cc2)cc1,,0.38669783,,,
+1482083544,*c1ccc(Sc2ccc(Sc3ccc(N4C(=O)c5ccc(Sc6ccc(Sc7ccc(Sc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)s2)cc1,,0.37801232,,,
+1482120134,*Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(S(=O)(=O)c3ccccc3)c2)cc1,,0.35307461,,,
+1482727524,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.36288338,,,
+1482787899,*CCCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(O*)c(OC)c3)cc2)cc1OC,,0.36086403,,,
+1483068354,*Nc1ccc(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1N*,,0.36015799,,,
+1483153718,*Nc1ccc([C@H](CCC)c2ccc(C[C@@H](CCCCCC)Cc3ccc([C@H](CCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36041733,,,
+1483304960,*C=CC(C*)OC,,0.3862843999999999,,,
+1483538338,*Nc1cccc(/C(=C(/c2ccccc2)c2cccc(N*)c2)c2ccccc2)c1,,0.37179153,,,
+1483754768,*Nc1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(-c5ccc(NC(=O)c6ccc(C(*)=O)cc6)cc5)c(-c5ccc(-c6ccccc6)cc5)c4)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1,,0.37232804,,,
+1484029097,*C(OCOC(*)C(*)(F)F)C(*)(F)F,,0.34668638,,,
+1484271204,*Nc1ccc2ccccc2c1-c1c(N*)c(-c2ccccc2)cc2ccccc12,,0.35903974,,,
+1484621104,*Oc1cccc(Oc2cccc(NC(=O)c3cccc(Oc4cccc(Oc5cccc(C(=O)Nc6cccc(*)c6)c5)c4)c3)c2)c1,,0.35258693,,,
+1484839925,*CCCCCCCCCCOCCCCCCCCCCOCCCCO*,,,0.329,0.882717038,21.18686489
+1484940598,*C=C(C#N)C(=O)OCCCCCCOC(=O)C(C#N)=Cc1ccc2c(c1)c1cc(*)ccc1n2CCCCCCCCCCCCCC,,0.38239556,,,
+1485740570,*CCC=CCCC1CC(CCC2CC(*)OC2=O)C(=O)O1,,0.33942699,,,
+1485822682,*CCCCCCCCCCC(=O)O*,,0.37420675,,,
+1485858652,*CC(*)(C)C(=O)OCC1COC(c2ccccc2)O1,,0.33388652,,,
+1485862700,*c1ccc(-c2nc3cc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(C(c7ccc(N8C(=O)c9ccc(C(=O)Nc%10ccc(Oc%11ccc%12nc(-c%13ccccc%13)c(*)nc%12c%11)cc%10)cc9C8=O)cc7)(C(F)(F)F)C(F)(F)F)cc5)C6=O)cc4)ccc3nc2-c2ccccc2)cc1,,0.38075733,,,
+1486120892,*c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.38857369,,,
+1486334179,*CC(*)c1ccc(C(O)CCN(C)C)cc1,,0.39056968,,,
+1486442979,*CCC(O*)(C(F)(F)F)C(F)(F)F,-8.026293088,,,,
+1487203237,*CCCCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,,,0.347,,
+1487747929,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(*)c(C)c4)cc3C)cc2C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c1,,0.38564574,,,
+1487920180,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1,,0.35353312,,,
+1488067118,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3c(C)cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c3C)c1)C2=O,,0.39668425,,,
+1488760517,*CCCCCCN1C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.34646376,,,
+1488918987,*CCOc1ccc(S(=O)(=O)c2ccc(OCCOP(=O)(O*)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1,,0.3392001,,,
+1489195327,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc2)cc1,,0.34828568,,,
+1489614055,*c1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8ccc(-c9nc(*)c(-c%10ccccc%10)[nH]9)cc8)[nH]c7-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.40415832,,,
+1490448831,*c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)C(F)(F)C(F)(F)c3cccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)c3)c1)C2=O,,0.34642034,,,
+1490582596,*CC(*)CCCCCCCCCCC,,,0.3206666666666666,0.803315138,10.73852636
+1490863909,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CCCCCCCCCCCCCCCC,,0.37558543,,,
+1490994278,*Nc1cccc(NC(=O)CCCCC(=O)Nc2cccc(NC(=S)NC(=O)CCCCC(=O)NC(*)=S)c2)c1,,0.33328285,,,
+1491147756,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5-c5ccccc5)c(-c5ccccc5)c3)C4=O)cc2-c2ccccc2)c(-c2ccccc2)c1,,0.37066383,,,
+1491246883,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc(F)cc2)cc1,,0.34953736,,,
+1491854107,*C=CCC(C)(CC*)C(=O)OC,-28.15217408,,,,
+1492808796,*Nc1ccc2c3ccc(cc3)c2c1N*,,0.33320503,,,
+1493417341,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(c4ccc(C(*)=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1,,0.36851832,,,
+1493656978,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6c7c(c(*)c8ccccc68)C(=O)N(c6ccc(F)cc6)C7=O)cc5)cc4)c3)cc2)cc1,,0.37299965,,,
+1494135620,*O[Si](C)(C)CCCN=C1C=C(O)C(=NCCC[Si](*)(C)C)C=C1O,,0.39375505,,,
+1494459100,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35893266,,,
+1495114099,*Nc1ccc(Cc2ccccc2Cc2ccc(N*)c(C)c2)cc1C,,0.35364083,,,
+1495561124,*c1cccc(C(=O)Nc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(*)C%10=O)cc8C7=O)c6)cc5)cc4)cc3)cc2)c1,,0.35728456,,,
+1495657690,*CCCCCCNC(=O)CCCCCC(=O)N*,,0.34167967,0.278,,
+1495695702,*c1ccc2c(c1)C(=O)N(c1ccc(C3(c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)c4ccccc4-c4ccccc43)cc1)C2=O,,0.42357892,,,
+1496106807,*CCCC(C)O[Si](C)(C)O*,,0.4012962,,,
+1496171453,*CC(*)c1ccc(OCCOCCOC(C)=O)cc1,,0.34580144,,,
+1496884432,*CCN(*)C(=O)C1CC1,,0.34943923,,,
+1497450918,*Oc1ccc(OC(=O)c2ccc(Sc3cccc(OC(=O)c4ccc(C(=O)Oc5cccc(Sc6ccc(C(*)=O)cc6)c5)cc4)c3)cc2)cc1C,,0.36045779,,,
+1497637197,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(-c4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)cc3)c1)C2=O,,0.35883674,,,
+1497639710,*CC(*)(C)C(=O)OCCCCCCN1CCN(c2ccc(N=Nc3ccc(C#N)cc3)cc2)CC1,,0.37393027,,,
+1498294171,*CC(*)c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2ccccc2-3)cc1,,0.40118451,,0.899366976,10.82333757
+1498407701,*CCCCCCc1nc2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4oc(*)nc4c3)ccc2o1,,0.35561284,,,
+1498502031,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)CC(=O)N(*)C5=S)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.37856211,,,
+1498613996,*c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCCCC)c(*)cc3CCCCCCCC)ccc1-2,,0.41835338,0.349,0.85154393,17.51524142
+1498770138,*CC(*)(C)C(=O)OCCOCCO,,0.31660238,,,
+1498889771,*CC(*)C(=O)OCCCCCCCCCCCCCCCC,,,0.3626666666666667,0.864622073,12.59659455
+1499027687,*Nc1cccc(-c2ccc(-c3ccccc3-c3ccc(-c4ccccc4)cc3)cc2)c1N*,,0.35096567,,,
+1499293987,*c1ccc(OCCN(CCOc2ccc(-c3nc4ccc(Oc5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)cc1,,0.38165004,,,
+1500693468,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)CCCCC6)cc5)cc4C3=O)cc2)cc1,,0.39468168,,,
+1500711821,*CCCCOC(=O)Cc1ccc(CC(=O)O*)cc1,-34.10658315,,,,
+1500837944,*c1ccc(Oc2cc(C(C)(C)C)c(Oc3ccc(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2C(C)(C)C)cc1,,0.40608449,,,
+1501114922,*c1cccc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3C2=O)c1,,0.36338221,,,
+1501485804,*Nc1ccc(C[C@@H](C)C2(Cc3ccc(N*)cc3)CCCCC2)cc1,,0.3481947,,,
+1501914019,*CC(*)(C)C(=O)OC1CCC(C)CC1,,0.37962423,0.1709999999999999,0.895972858,11.80505526
+1502018022,*C=CC1CC(*)C2C(=O)N(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C12,,0.3593193,,,
+1502215930,*C=Cc1cc(CCCCCCCCCCCCCCCC)c(C=Cc2nc(*)c(C#N)c(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)c2C#N)cc1CCCCCCCCCCCCCCCC,,0.40312645,,,
+1502259897,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c(C(C)(C)C)c2)cc1,,0.38670531,,,
+1502465383,*Nc1ccc(-c2ccc3c(c2-c2ccc(N*)c(C)c2)Cc2ccccc2-3)cc1C,,0.36453901,,,
+1502724295,*CCCCCCOC(=O)OCCCCCCCCCCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.35846938,,,
+1502897533,*Oc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)c(OC(=O)CCCCCCCCC(*)=O)c(-c3ccccc3)c2)cc1-c1ccccc1,,0.37181135,,,
+1503069300,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34701241,,,
+1503134682,*Oc1ccc(C(C)(C)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,,0.36526848,,,
+1504210048,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)O*,-32.76938912,,0.362,,
+1504320453,*c1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2)cc1,,0.35373697,,,
+1504459006,*CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,,,0.442,0.912106929,22.06826429
+1504692554,*Nc1ccc(C2(c3ccc(N*)cc3)CC=CCC2)cc1,,0.35342761,,,
+1504708152,*Cc1ccc(CN(C)C(=O)CCCCCCCCCCCCCCC(=O)N(*)C)cc1,-14.32362541,,,,
+1504763552,*C#CC(Cn1c2ccc(CCCCCCCCCCCCCCCC)cc2c2cc(CCCCCCCCCCCCCCCC)ccc21)=C(*)Cn1c2ccc(CCCCCCCCCCCCCCCC)cc2c2cc(CCCCCCCCCCCCCCCC)ccc21,-2.237818484,,,,
+1505007551,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.36148157,,1.101878575,18.7163871
+1505164160,*Nc1ccccc1-c1c(N)ccc2c1ccc1c(-c3ccccc3N)c(N*)ccc12,,0.35843699,,,
+1505192900,*Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)c4cccc(Oc5nc(*)nc(Sc6ccccc6)n5)c4)cc3)cc2)c1,,0.35247357,,,
+1506883443,*c1ccc(C(c2ccccc2)c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.40443369,,,
+1506970146,*CC(*)c1ccc(C(C)(O)CC)cc1,,0.37635976,0.2266666666666666,,
+1507536890,*CCCCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,0.36158697,,,
+1507569319,*c1ccc(NC(=O)c2cc(NC(=O)c3ccc(OC(C)=O)cc3)cc(C(=O)Nc3ccc(-c4nnc(*)o4)cc3)c2)cc1,,0.34832358,,,
+1507772517,*c1ccc(Cc2ccc(N3C(=O)C4CCC(C5CCC6C(=O)N(*)C(=O)C6C5)CC4C3=O)cc2)cc1,,0.38536816,,,
+1508066220,*CC(*)c1ccc(COCCCC)cc1,,0.38801598,,,
+1508126626,*Nc1cccc(C#Cc2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)c1,,0.37889334,,,
+1508181683,*Nc1ccc([C@H](CCCCC)c2ccc([C@@](CCCC)(c3ccc([C@H](CCCCC)c4ccc(N*)cc4C)cc3)C3CCCCC3)cc2)c(C)c1,,0.38359453,,,
+1508221747,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(NC(=O)c4cc(NC(=O)c5ccc(OC(C)=O)cc5)cc(C(=O)Nc5ccc(*)cc5)c4)cc3)cc2)cc1,,0.34979882,,,
+1508323114,*OC1CCC(OC(=O)CCCCCCCCC(*)=O)CC1,,0.35688418,,,
+1508373353,*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5ccc(*)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1C(C)(C)C,,0.37989241,,,
+1508770794,*c1ccc(C2(c3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.41356417,,,
+1509674504,*Oc1cccc(OC(=O)c2ccc(OC(=O)c3cccc(C(=O)Oc4ccc(C(*)=O)cc4)c3)cc2)c1,,0.33712765,,,
+1509700944,*c1ccc(Oc2cccc3c(Oc4ccc(N5C(=O)c6ccc(S(=O)(=O)c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cccc23)cc1,,0.38098412,,,
+1509770012,*c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3ccccc3)c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.39499825,,,
+1509773761,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CCCCCCCCCC,,0.37281948,,,
+1509897801,*NCC(C)N*,,0.31754129,,,
+1510154304,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3ccc(C)cc32)cc1,,0.37464154,,,
+1510186873,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(CCCCC)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,204.7640603,,,,
+1510690030,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1,,0.37188038,,,
+1510766002,*Nc1ccc(-c2cccc(-c3ccc(N*)cc3)c2)cc1,,0.34163964,,,
+1510829152,*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(=O)C=Cc1ccco1,,0.3534342,,,
+1510840632,*CC(COC(=O)O*)OCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.34394609,,,
+1510846055,*C=C(*)C(CCC)[Si](C)(C)CCCCCC,,0.40434862,,,
+1511018789,*CCc1ccc(*)c(CC)c1,,0.39486528,,,
+1511476999,*c1ccc2c(c1)C(=O)N(c1cc(OCCCC)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,,0.38373514,,,
+1511530438,*OC(=O)C(NC(=O)CCCCCCCCC(=O)NC(C(=O)OC1COC2C(*)COC12)C(C)CC)C(C)CC,,0.35095234,,,
+1511995434,*Nc1cccc(-c2cc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c2N*)c1,,0.38354872,,,
+1512069165,*O*CCCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC)c(OC(=O)c4ccc(-c5ccc(OC(=O)CCCCCCCCC(*)CO*)cc5)cc4)c3[N+](=O)[O-])cc2)cc1,,0.38046147,,,
+1512407115,*Nc1ccc(-c2c(-c3ccccc3)cc(N*)c(C)c2-c2ccccc2)cc1,,0.36604674,,,
+1512415132,*Nc1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1N*,,0.34626289,,,
+1512714339,*CC(*)(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccncc2)cc1,,0.36156812,,,
+1513366860,*O[Ca]OC(=O)c1ccccc1C(=O)OCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCOC(=O)c1ccccc1C(*)=O,,0.3810089,,,
+1513913960,*CC(*)(C)C(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1,,0.34280149,,,
+1514104618,*CCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,,,0.407,,20.46241251
+1514204622,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34424319,,,
+1514327735,*CC(*)c1ccc(C(C)C)cc1C(C)C,,,0.1979999999999999,0.839803273,10.87873099
+1514376697,*CCCC(C)(C)CNC(=O)CCCCCC(=O)N*,,0.3440828,,,
+1514418516,*OC1C(COC(C)=O)OC(*)C(OC(C)=O)C1O,,0.32163018,,,
+1514514964,*C(=O)c1ccc(Oc2c(C)cc(-c3cc(C)c(Oc4ccc(C(=O)c5ccc6nc(*)ccc6c5)cc4)c(C)c3C)c(C)c2C)cc1,,0.40570264,,,
+1514572566,*c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(N5C(=O)c6ccc(Sc7ccc(Sc8ccc(Sc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.37974001,,,
+1514643124,*CC(*)(C)c1ccc(C(C)C)cc1,,0.40109572,0.2013333333333333,0.808542478,12.41984319
+1514751058,*Nc1ccc(-c2cc(N*)cc(-c3ccc(N)cc3)c2)cc1,,0.34788734,,,
+1515428777,*CCCCCCNC(=O)c1cc(C(=O)N*)cc(C(C)(C)C)c1,,0.35198152,,,
+1515861742,*Nc1ccc(-c2ccc(NC(=O)c3cccc(C(*)=O)c3)c(S)c2)cc1S,,0.35876694,,,
+1515864887,*NC1CCC(CC2CCC(NC(=O)CCCCCCCCC(*)=O)CC2)CC1,,0.36172537,,,
+1515872647,*CC(*)C(=O)N1CCOCC1,,0.340331,0.212,1.114429035,11.35819502
+1515877635,*CC(*)(C)C(=O)OCC(C)(C)C,,,0.1555,0.810146915,10.91862442
+1515920130,*C(=O)NCCCCCCCCCCNC(=O)c1cccc(*)n1,49.59402876,,,,
+1516275191,*Nc1cc([N+](=O)[O-])c(NC(=O)CCCCCCC(*)=O)cc1C=Cc1ccc(N(C)C)cc1,,0.34625185,,,
+1516593013,*Cc1ccc2oc(=O)c(C(=O)Nc3ccc(C(c4ccc(NC(=O)c5cc6cc(*)ccc6oc5=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2c1,,0.34097421,,,
+1516837155,*CCCCCCN(CC(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N(*)CC(F)(F)C(F)(F)F,,0.33260446,,,
+1517122573,*CCCP(CCCNC(=O)CCCCC(=O)N*)c1ccccc1,,0.34331894,,,
+1517401237,*CC(*)c1cc(C(=O)OCC)ccc1-c1ccc(OCCCCCCCC)cc1,,0.38076446,,,
+1517587457,*CC(*)(Cl)C(=O)OCCC,,,0.173,1.102798912,12.27540357
+1517792443,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c2C#N)cc1,,0.37073474,,,
+1518669456,*CCCCCCCCCCC(=O)N(*)C,,0.37747863,,,
+1518803212,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36893387,,,
+1519364280,*CCC(C)O[Si](C)(C)O*,,0.39779568,,,
+1519582452,*Nc1c(CC(C)(C)C)cc2ccccc2c1-c1c(N*)c(CC(C)(C)C)cc2ccccc12,,0.39483113,,,
+1520136246,*C(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6C)c(C)c4)C5=O)cc3)CC3CC2C2CCCC32)cc1,,0.37865395,,,
+1520266361,*c1ccc(-c2nc(-c3cccc(-c4nnc(-c5ccccc5)c(*)n4)n3)nnc2-c2ccccc2)cc1,,0.44423251,,,
+1521487084,*Oc1ccc(P(C)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.38231831,,,
+1522414034,*CC(*)c1cc(C(=O)OCCCC)ccc1-c1ccc(OCCCCCCCC)cc1,,0.38549986,,,
+1522625717,*C(C)=C(*)CCCCCCC,,0.40916746,,,
+1523167762,*CC(*)C(=O)NC(C)(C)CC(C)=O,,0.33505306,,,
+1523200168,*CCCCCCCCCCOc1ccc(N=Cc2ccc(C=Nc3ccc(O*)cc3C)cc2)c(C)c1,,0.38083348,,,
+1523230328,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5cccc6c(Oc7ccc8c(c7)C(=O)N(*)C8=O)cccc56)cc4C3=O)c(C)c2)cc1C,,0.39800868,,,
+1523654682,*CC(O)COc1c(C)cc(C(C)(C)c2cc(C)c(OCC(O)COc3c(C)cc(S(=O)(=O)c4cc(C)c(O*)c(C)c4)cc3C)c(C)c2)cc1C,,0.36996727,,,
+1523715614,*CCCCCCCCCCNC(=O)c1ccc(C(=O)N*)cc1,50.1155014,,,,
+1523905334,*Nc1cc(C)c(C2(c3cc(C)c(N*)cc3C)c3ccccc3-c3ccccc32)cc1C,,0.38791749,,,
+1524051176,*CCCCNC(=O)C(OC)C(OC)C(=O)N*,,0.32364481,,,
+1524213012,*c1cc(C=Nc2ccc3c(c2)c2cc(N=Cc4cc(*)c(O)c(*)c4)ccc2n3CCCC)ccc1O,,0.36995322,,,
+1524317479,*CC(*)(CC(=O)OCCOCCOC)C(=O)OCCOCCOC,,0.33439887,,,
+1524856753,*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OC4COC5C(*)COC45)cc3)cc2)cc1,,0.33832234,,,
+1524880405,*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)c2)cc1,,0.35513866,,,
+1525026548,*Oc1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(-c5ccc(OC(=O)c6ccc(C(*)=O)cc6-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,,0.38238683,0.315,0.963593,27.63852935
+1525361018,*CCOC(=O)C1=CCCCC(N2CCCC2)=C1C(=O)O*,,0.35148816,,,
+1525755711,*C=CC1CC(*)C(C(=O)Oc2ccccc2)C1C(=O)Oc1ccccc1,,0.353015,,,
+1526653040,*Oc1ccc(Oc2ccc(OC(=O)c3ccc(C(c4ccc(C(*)=O)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1,,0.35598766,,,
+1526713439,*CCc1ccc(*)s1,,0.39157828,0.288,1.164977581,25.29233638
+1527011099,*C(=O)N1C(=O)N(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)C(CC)(CC)C1=O,,0.36982444,,,
+1527133418,*Oc1ccc(NC(=O)CCCCC(=O)Nc2ccc(*)cc2)cc1,,0.3339539,,,
+1527614677,*CCCP(CCCNC(=O)CCCCCCCCC(=O)N*)c1ccccc1,56.20366062,,,,
+1527753234,*c1cccc(C(=O)c2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3C(F)(F)F)cc2)c1,,0.3698895,,,
+1527864576,*c1ccc(Nc2ccc(C3(c4ccc(Nc5ccc(S(*)(=O)=O)cc5)c(C)c4)c4ccccc4-c4ccccc43)cc2C)cc1,,0.42014539,,,
+1528273395,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3C(F)(F)F)cc2)cc1,,0.37524227,,,
+1528295982,*CC(c1ccccc1)C1C(=O)N(CCN(CC)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)C(=O)C1*,,0.36659752,,,
+1528389333,*CCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCNC(=O)C(=O)N*,82.2677155,,0.4125,0.955200662,21.885982
+1528618359,*Nc1ccc(C(C)(C)c2ccc(N*)cc2-c2ccccc2)cc1,,0.35615321,,,
+1528836681,*CCCCCCCCCCOC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,8.531981028,,,,
+1529298649,*C=CC1CC(*)C(C#N)([Si](C)(C)O[Si](C)(C)C)C1,,0.43871287,,,
+1529319759,*c1cc(C(=O)NCCCC)cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37595452,,,
+1529607957,*C(=O)Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7cccc8c(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cccc78)cc5)C6=O)cc4)cc3)cc2)cc1,,0.36093422,,,
+1529815158,*Nc1ccc(C[C@@H](c2ccccc2)c2ccc(N*)cc2)cc1,,0.35117651,,,
+1530164061,*CC(*)OC(=O)c1cccc([N+](=O)[O-])c1,,0.37430809,,,
+1530902893,*Oc1cccc(Oc2ccc(Nc3ccc(Nc4ccc(Nc5ccc(Nc6ccc(*)cc6)cc5)cc4)cc3)cc2)c1C(=O)Nc1ccc(N=Nc2ccccc2)cc1,238.4094841,,,,
+1531080761,*c1cccc(OCCCCCCCCCCCOC(=O)c2ccc(C(=O)OCCCCCCCCCCCOc3cccc(-c4nnc(*)s4)c3)cc2)c1,,0.37334678,,,
+1531336843,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(-c4cc(-c5ccccc5)cc(-c5cccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)c5)n4)c3)cc1)C2=O,,0.37590071,,,
+1531370497,*C1CC2CC1C(*)C2CCCCCCCCCC,,,,0.855255368,14.39063477
+1531901492,*C(=O)N(*)CC=C,164.8639006,,,,
+1532003406,*c1ccc(OCCCCCOc2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.35403674,,,
+1532503851,*CCCCCNC(=O)CC(=O)N*,,0.31630581,,,
+1532559190,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)C(F)(F)CC[Si](*)(C)CCC(F)(F)F,,0.38905129,,,
+1532694125,*C=CC1CC(*)C(C#N)([Si](C)(C)[Si](C)(C)C)C1,,0.44453599,,,
+1533215185,*C(=O)c1ccc(N(*)CCCCCCC)cc1,,0.39237717,,,
+1533241544,*c1ccc(C(c2ccc(N(*)c3ccc(C)cc3)cc2)c2ccc([N+](=O)[O-])cc2)cc1,,0.42700988,,,
+1533331471,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccccc5-c5ccccc5C(=O)c5ccc(*)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.38946752,,,
+1533352868,*CCN(*)C(=O)c1cc(F)c(F)cc1F,,0.34420285,,,
+1533947375,*CC1CCCC(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)C1,,0.35941978,,,
+1534103449,*Nc1ccc(*)cc1CCCCCCCCCCCCCCC,,,0.314,0.876967341,16.45604164
+1534344479,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(NC(=O)CCCCCC(=O)Nc4ccc(O*)cc4)cc3)cc2)cc1,,0.33850297,,,
+1534350557,*CCCCCCOc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(-c6c(-c7ccc(-c8ccccc8)cc7)cc(-c7ccc(O*)cc7)cc6-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)c(-c3ccc(-c4ccccc4)cc3)c2)cc1,,0.36743587,,,
+1535224949,*C(=O)c1cc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cc(C(C)(C)C)c1,,0.38923634,,,
+1535521231,*Nc1noc2nc3c(C(=O)OCC)cc(C(=O)c4ccccc4)c(N)c3c(N*)c12,,0.33255113,,,
+1535630026,*c1cc(C=Nc2ccc3c(c2)c2cc(N=Cc4cc(*)c(O)c(*)c4)ccc2n3CCCCCCCCCCCC)ccc1O,,0.37679256,,,
+1535916456,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2[Si](C)(C)C)c([Si](C)(C)C)c1,,0.39362302,,,
+1536018562,*Oc1ccc(OC(=O)c2cccc(Sc3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(Sc6cccc(C(*)=O)c6)cc5)cc4)cc3)c2)cc1-c1ccccc1,,0.36413304,,,
+1536084197,*CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)O*,,,0.387,0.905357803,22.64614546
+1536340511,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1,,0.37552726,,,
+1536369221,*CC(F)(F)C1(F)C(*)CC(O)(C(F)(F)F)C1(F)F,,0.30442544,,,
+1536452950,*Oc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)c6ccc(*)c(C(C)C)c6)cc5)cc4)cc3)cc2C(C)C)cc1,,0.3952199,,,
+1536569579,*Nc1c(F)c(F)c(N*)c(F)c1F,,0.32203175,,,
+1536803717,*CC(C)(C)COC(=O)O*,,0.35059905,,,
+1537088176,*CCCCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.36937148,,,
+1537297732,*CC(*)c1ccc(Cl)c(F)c1,,,0.1275,,
+1537341767,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)c5)cc3)C4=O)cc2)cc1,,0.35644883,,,
+1537875008,*Nc1ccc([C@]2(C)CC(C)(C)c3cc(N*)ccc32)cc1,,0.365803385,,,
+1538292595,*Oc1c(C(=O)Oc2ccc(OC(=O)c3ccc4ccccc4c3Oc3nc(*)nc(N4CCCCC4)n3)cc2)ccc2ccccc12,288.7077709,,,,
+1538729127,*C=C(*)c1ccccc1[Si](C)(C)C,,0.43881448,,,
+1539719616,*CCC1C(=O)N(CCCCCCCCCCCC)C(=O)C1*,,0.37602495,,,
+1540110087,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6cccc(N8C(=O)c9ccc(*)cc9C8=O)c6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.36739248,,,
+1541215652,*CC(*)(C)C(=O)OC1CCCCC1C(C)(C)C,,0.39683141,,,
+1541292142,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N6C(=O)CC(=O)N(*)C6=S)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1,,0.39690658,,,
+1541529952,*c1ccc(C2(c3ccc(N4C(=O)C(c5ccccc5)=C(c5ccc(C6=C(c7ccccc7)C(=O)N(*)C6=O)cc5)C4=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.42593569,,,
+1541871733,*Nc1ccc(/C=C/c2ccc(N*)c(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)c(-c2ccc3ccccc3c2)c1-c1ccc2ccccc2c1,,0.37000522,,,
+1542132482,*Nc1ccccc1-c1c(N)c(N)c(-c2ccccc2N)c(-c2ccccc2N)c1-c1ccccc1N*,,0.31405732,,,
+1542525425,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(-c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.36540863,,,
+1542527766,*Nc1cccc(-c2cccc(-c3cccc(N)c3)c2-c2cccc(N*)c2)c1,,0.35421263,,,
+1542725530,*Nc1c(N*)c(-c2ccccc2)c2ccccc2c1-c1ccccc1,,0.35701914,,,
+1543008224,*CC(COC(=O)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)O*,,0.34283926,,,
+1543532086,*CC(CC)(CCl)CO*,,0.37740492,,,
+1543949166,*c1ccc(C=C(C#N)c2cc(OCCCCCCCC)c(C(C#N)=Cc3ccc(N(*)c4ccccc4)cc3)cc2OCCCCCCCC)cc1,,0.40051472,,,
+1543966603,*N=C1c2ccccc2C(=Nc2ccc(*)cc2)c2ccccc21,158.2579262,,,,
+1544175741,*Oc1ccc(S(=O)(=O)c2cccc3c(S(=O)(=O)c4ccc(Oc5c(C)cc(-c6cc(C)c(*)c(C)c6)cc5C)cc4)cccc23)cc1,,0.3844626,,,
+1544534408,*CC(*)c1ccc([Si](C)(C)O[Si](C)(C)C)cc1,,0.45403849,,,
+1544660750,*C(=O)OCC(COc1ccc(N=Nc2ccc(C#N)cc2)cc1)OC(=O)c1ccc(*)s1,,0.36682863,,,
+1544969349,*Nc1ccc(-c2c(C)c(-c3ccccc3)c(N*)c(-c3ccccc3)c2-c2ccccc2)c(C)c1-c1ccccc1,,0.38234636,,,
+1545578155,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(*)c(C(F)(F)F)c5)cc4)cc3C(F)(F)F)cc2)cc1,,0.38323456,,,
+1545962534,*Nc1ccc2c(c1)/C(=C/c1ccccc1N*)c1ccccc1-2,,0.35465087,,,
+1546473891,*CCCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)c4cccc(NC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)c4)cc3)cc2C1=O,,0.34528361,,,
+1546892007,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)CC3CC2C2CCCC32)cc1,,0.37879602,,,
+1546988712,*c1ccc2oc(-c3ccc(Oc4ccc(-c5nc6cc(C(*)(C(F)(F)F)C(F)(F)F)ccc6o5)cc4)cc3)nc2c1,,0.41418077,,,
+1547038341,*CCCCCCCCNC(=O)CCCCCCCC(=O)N*,,,0.308,0.959342877,19.77502946
+1547095755,*CC(*)c1cc(C(=O)Oc2ccc(OCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCC)cc1,,0.36628846,,,
+1547207194,*Oc1ccc(-c2ccc(OC(=O)c3ccc(C(=O)c4ccc(C(*)=O)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1,,0.37083826,,,
+1547263064,*=CC#C[Si](C#CC=NN=*)(c1ccccc1)c1ccccc1,131.2577432,,,,
+1548438831,*CCCCCCCCCCCCC(=O)O*,,0.38106509,,,
+1548803977,*CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.31898609,,,
+1549041363,*c1c(C)cc(-c2cc(C)c(N3C(=O)c4cccc(Oc5c(C)cc(-c6cc(C)c(Oc7cccc8c7C(=O)N(*)C8=O)c(C)c6)cc5C)c4C3=O)c(C)c2)cc1C,,0.39657814,,,
+1549091300,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(Oc4ccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)c6)cc5)cc4)cc3)c1)C2=O,,0.35694819,,,
+1549258915,*CCC(=O)NCCCCCCNC(=O)CCS*,,0.3462525,,,
+1549335676,*c1ccc(Oc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.36487368,,,
+1549802812,*CC(*)c1cc(C(=O)OCCCCCCCCCC)ccc1-c1ccc(OCCCCCCCC)cc1,,0.39428806,,,
+1549944889,*OP(=O)(Oc1ccc(C)cc1)Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.35406248,,,
+1550023737,*Nc1ccc(NC(=O)c2ccc(P(=O)(c3ccccc3)c3ccc(C(*)=O)cc3)cc2)cc1,,0.35999445,,,
+1550446062,*CC(*)(C)C(=O)OCC(=O)c1ccccc1,,0.34187342,,,
+1550628326,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)c(Br)c4)(C(F)(F)F)C(F)(F)F)cc3Br)cc2)cc1,,0.39473159,,,
+1550853194,*c1ccc(Oc2cccc(NC(=O)c3cc(C(=O)Nc4cccc(Oc5ccc(-c6nnc(*)o6)cc5)c4)cc(N4C(=O)c5ccccc5C4=O)c3)c2)cc1,,0.35911141,,,
+1551100568,*c1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4ccc(-c5cc(*)n(-c6ccccc6)n5)cc4)cc3)cc2)cc1,,0.39388717,,,
+1551636938,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cc(C(F)(F)F)cc(N5C(=O)c6ccc(*)cc6C5=O)c3Oc3ccc(C(F)(F)F)cc3)C4=O)cc2)cc1,,0.36716401,,,
+1551667752,*CCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,,0.36786948,0.3463333333333334,0.92885236,22.0513884
+1551816010,*c1ccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(c6ccc8[nH]c(*)nc8c6)C7=O)cc5)cc4)cc3C2=O)cc1,,0.37965627,,,
+1551966818,*CC(C)(C)COC(=O)NC(=O)c1cccc(C(=O)NC(=O)O*)c1,,0.3112599,,,
+1552546218,*Nc1ccc(-c2ccc(N)c(-c3ccc(N)cc3)c2-c2ccc(N*)cc2)cc1,,0.35816613,,,
+1553018997,*CC(*)C(=O)NC(C)(C)CS(=O)(=O)O,,0.32186501,,,
+1553515923,*CC1CCC(COC(=O)CCC(=O)O*)CC1,,0.34271914,,,
+1553955153,*CCCCCC(*)CC,,0.40321995,,,
+1553956004,*c1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37375949,,,
+1553967571,*CC(*)C(=O)Oc1ccc(C(=O)OCC)cc1,,0.34094172,,,
+1554515864,*Nc1ccc(-c2cc(N*)ccc2-c2ccccc2)cc1,,0.34986039,,,
+1554954449,*Nc1ccc2c(c1N*)[C@@H]1CC[C@H]2c2ccccc21,,0.3649256549999999,,,
+1555593891,*CS*,,,0.172,1.374050717,21.43297913
+1556257502,*CCCCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCCCOP(=O)(O*)OCC)c(OC)c3)C2=O)cc1OC,,0.35788491,,,
+1556355257,*C(=O)c1cccc(C(=O)c2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)c1,,0.3547336,,,
+1556370617,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.3441071,,,
+1556403536,*c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(N4C(=O)c5ccc(NC(=O)Nc6ccc(Oc7ccccc7-c7ccccc7Oc7ccc(NC(=O)Nc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)ccc3ccccc23)cc1,,0.36530403,,,
+1557378931,*Oc1ccc(C(=O)OCCOCCOCCOC(=O)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.33612915,,,
+1558106067,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccccc3N3C(=O)c4ccc(*)cc4C3=O)cc1)C2=O,,0.3701528,,,
+1558371855,*CCOCCOCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.33902352,,,
+1558525027,*CCN(*)C(=O)c1ccc(C)cc1,87.3045689,,,,
+1558867907,*CCCCCCOC(=O)OCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.3458372,,,
+1558987909,*CCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,,0.359,0.932585043,19.09375808
+1559096063,*c1ccc(*)n1C(C)C(=O)OC,279.4452403,,,,
+1559539391,*C(F)C(*)(F)OC(F)(F)F,,0.31331253,,,
+1559560345,*CC(*)(C)C(=O)OCCCl,,,0.1325,1.111949892,14.37849945
+1560086845,*CC(C)(CCC)C(=O)O*,,0.36777777,,,
+1560341376,*CCN(*)C(=O)c1cccc(F)c1F,,0.34608851,,,
+1560496789,*Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N*)cc2)C2CCCCC2)cc1,,0.38230718,,,
+1560564433,*Nc1ccc2c(c1)[C@@H]1c3cc(N*)ccc3[C@@H]3c4ccccc4[C@H]2[C@@]31C,,0.3710363,,,
+1560692719,*C(=O)CCCCCCCCC(=O)NC1CCCCN(*)C1,,0.34895116,,,
+1561264127,*O[Si](C=C)(C=C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.42288522,,,
+1561282165,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5F)C6=O)cc4)cc3)cc2)cc1,314.5599695,,,,
+1561451639,*Nc1ccc(-c2ccc(N*)c3ccccc23)cc1,,0.34980398,,,
+1561539918,*Oc1ccc(OC(=O)c2cc(OCCCCCCCCCCCC)c(C(*)=O)cc2OCCCCCCCCCCCC)cc1C,,0.38901226,,,
+1561870991,*CC(*)(C)C(=O)OCC(O)C1CC(C)(c2ccccc2)C1,,0.35190962,,,
+1561932824,*CCCCCCS(*)(=O)=O,,,,1.13916765,20.45790421
+1561944332,*Nc1cc(C)c(C2(c3c(C)cc(N*)cc3C(C)C)c3ccccc3-c3ccccc32)c(C(C)C)c1,,0.39323,,,
+1562058837,*c1cc(CCCCCCCCCCCCCCCCCC)c(*)s1,,,0.36525,0.892099579,14.38765864
+1562112815,*CCCCOc1ccc(C=C2CCC(=Cc3ccc(O*)c(OC)c3)C2=O)cc1OC,36.19808899,,,,
+1562477562,*C=Cc1cc2c(cc1CCCCCC)c1cc(CCCCCC)c(*)cc1n2CCCCCCCC,45.45691415,,,,
+1562707517,*CCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,,,0.374,,
+1562741783,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(C[C@H]3CC[C@H](CCC)CC3)CC2)cc1,,0.36143785,,,
+1562941493,*CC(CCCCCCOc1ccc(N=Nc2ccc(C)cc2)cc1)COC(=O)CCCCC(=O)O*,,0.36238059,,,
+1563279330,*/C=C/c1ccc(Oc2ccc(-c3ccc(-c4ccc(-c5ccc(Oc6ccc(/C=C/c7ccc8c(c7)c7cc(*)ccc7n8CC(CC)CCCC)cc6)c(C#N)c5)cc4)cc3)cc2C#N)cc1,129.2206103,,,,
+1563303704,*Nc1ccc2c(c1)c(-c1ccc(C)cc1)c(-c1ccc(C)cc1)c1c3cccc(N*)c3c3ccc4ccccc4c3c21,,0.37838795,,,
+1563844313,*NCCSCCN*,,0.323520965,,,
+1564078436,*C(=O)Nc1ccc(Oc2ccc(C(C)(C)c3cccc(C(C)(C)c4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)c3)cc2)cc1,,0.36727722,,,
+1564080444,*c1ccc(-c2ccc(-c3nc4ccc(-c5ccc6nc(*)c(-c7ccccc7)c(-c7ccccc7)c6c5)cc4c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,,0.43300062,,,
+1564406631,*c1ccc(Oc2ccc(N3C(=O)c4cccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7cccc8c7C(=O)N(*)C8=O)cc6)cc5)c4C3=O)cc2)cc1,,0.36611669,,,
+1564555962,*CCCCCCOC(=O)OCCCCCCCCOC(=O)OCCCCCCOc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.35645109,,,
+1564587390,*c1ccc(-c2cc(Oc3ccc(S(=O)(=O)O[Na])cc3)c(*)cc2Oc2ccc(S(=O)(=O)O[Na])cc2)cc1,172.5717242,,,,
+1565016562,*CCc1ccc(CCNC(=O)CCCCCCCCC(=O)N*)cc1,,0.35145021,,,
+1565300761,*N=P(*)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F,,0.3709865,,,
+1565790126,*CCCCCCOC(=O)OCCCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.35226204,,,
+1566134688,*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1C(C)(C)C,,0.40798893,,,
+1566591359,*/C=C/CCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCCCCCC,,,0.31,0.891002299,16.02209513
+1567869573,*CCCC(*)Cl,-30.93658282,,,,
+1567960062,*Cc1cc2cc(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)c5cc6cc(*)c(OC(=O)COc7ccc8ccc(=O)oc8c7)cc6oc5=O)cc4)cc3)c(=O)oc2cc1OC(=O)COc1ccc2ccc(=O)oc2c1,,0.32527333,,,
+1568651103,*CC(*)c1ccc(CCCCCCCCCC)cc1,,0.40394942,0.2825,0.864032282,11.38875554
+1568726838,*CCC(=O)OC(=O)CCc1ccc(*)n1C,78.11959859,,,,
+1569031119,*O[Si](*)(c1ccccc1)c1ccccc1,,0.39090744,,,
+1569186084,*CCCCCCCOC(=O)NCCCCCCNC(=O)O*,,0.34603241,,,
+1569573588,*CCCCOC(=O)NNC(=O)CCCCCCCCC(=O)NNC(=O)O*,,0.33104417,,,
+1569767963,*CCCCSCCS*,,,0.226,,
+1570146193,*Nc1nc(N*)n(N)c(=O)n1,,0.30702692,,,
+1570200324,*C#Cc1cc(OCCCCCCCCCC)c(*)cc1OCCCCCCCCCC,61.85443636,,,,
+1570351096,*CC(*)(C)C(=O)OCCC1CCN(CCCCCCOc2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)CC1,,0.36030129,,,
+1570401711,*CC(*)c1ccc(C(=O)c2ccc(C)cc2)cc1,,0.38272585,,,
+1570549360,*CC(*)c1nnn[nH]1,,0.32198673,,,
+1570654852,*CC(CC(*)(C#N)C(=O)OC)c1ccccc1,127.0156605,,0.176,0.987197772,16.39022868
+1570972826,*c1ccc2c(c1)C(=O)N(c1ccc(OCCOCCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.34948491,,,
+1571736697,*c1cc(CCCCCCOC(=O)COc2ccccc2)c(*)s1,,0.36035574,,,
+1571763607,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3CC=C)c2-c2ccccc2CC=C)cc1,,0.35761142,,,
+1572134392,*CC(*)c1c(F)c(F)c(OC)c(F)c1F,,0.34990398,,,
+1572433772,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(CP(=O)(OCCCl)OCCCl)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37206034,,,
+1572814745,*NC1=C(c2c(N*)ccc3c2CCCC3)[C@H]2CCCC[C@H]2C=C1,,0.36912749,,,
+1573303082,*O[Si](O[Si](O[Si](O[Si](CC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](*)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,,0.3950591,,,
+1573438487,*CCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)O*,,,0.302,0.90650602,20.12266872
+1573472944,*C1C(=O)OC(=O)C1C1C2CC(C(=O)OC(C)CC)C(C2)C1*,,0.34154769,,,
+1573776034,*CC(*)C(=O)c1ccc(Cl)cc1,,0.38087651,,,
+1573828532,*Cc1ccc(CNC(=O)CC(C)(C)CC(C)C(=O)N*)cc1,,0.33698788,,,
+1573986676,*O[Si](*)(C)CCCCCCCCCCCOc1ccc(/C=C/c2ccc(C#N)cc2)cc1,,0.39092299,,,
+1574150308,*C(=O)OCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.34482566,,,
+1574744073,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccc(Cl)cc5)C6=O)cc4)cc3)cc2)cc1,,0.38253331,,,
+1574797277,*CC(*)C(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br,,0.39447334,,,
+1575153085,*Oc1ccc(C(=O)c2cccc(NC(=O)c3cccc(C(=O)Nc4cccc(C(=O)c5ccc(*)cc5)c4)c3)c2)cc1,,0.35264877,,,
+1575277153,*CC(*)C(=O)OC(C)CCCCC,,,0.2405,0.89263762,11.17976548
+1575557277,*CC(*)OCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.36732307,,,
+1575613666,*Oc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(C(c6ccc(*)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4)cc3)cc2)cc1,,0.36216369,,,
+1576291879,*c1ccc(C(=O)OCCCCCCCCCCOC(=O)c2ccc(-c3nnc(*)s3)cc2)cc1,,0.36609452,,,
+1576399281,*/C=C/C(C(=O)OC(C)C)C(*)C(=O)OC(C)C,,,,0.971892426,13.10146733
+1576797553,*CCCCCCCCOc1c(OC)cc(C=Cc2cc(CCCCCC)c(C=Cc3cc(OC)c(O*)c(OC)c3)cc2CCCCCC)cc1OC,,0.38267439,,,
+1577222221,*C(=O)Nc1cccc(C#Cc2cccc(N3C(=O)c4ccc(*)cc4C3=O)c2)c1,,0.38902251,,,
+1577413316,*Sc1ccc(Sc2ccc(Sc3ccc4c(c3)Sc3ccc(*)cc3S4)cc2)cc1,,0.39801974,,,
+1577441045,*CC(*)(C)C(=O)OC1CCCCCCC1,,0.36870383,,,
+1577638731,*CCCCCCSS*,,0.44419731,,,
+1578441092,*c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(=O)c5ccc(NC(=O)Nc6ccc(Oc7ccccc7-c7ccccc7Oc7ccc(NC(=O)Nc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)n2)cc1,,0.36226249,,,
+1578457961,*c1cccc(NC(=O)c2ccc(OCCOCCOCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)c1,,0.34384925,,,
+1578702981,*C(F)=C(F)C(F)(C(*)(F)F)C(F)(F)F,,0.32146163,,,
+1578799819,*Nc1cccc(-c2ccccc2-c2ccccc2-c2cc(N*)ccc2-c2ccccc2)c1,,0.3577192,,,
+1579112957,*CCCCCCCCCCCCNC(=O)CCc1ccc(CCC(=O)N*)cc1,,0.36073378,,,
+1579365390,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5)C6=O)cc4)cc3)cc2)cc1,,0.38301295,,,
+1579852324,*C(=O)Nc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(-c4nc5ccccc5s4)cc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc(-c2nc3ccccc3[nH]2)c1,,0.37929546,,,
+1579941096,*Nc1c2ccccc2c(N*)c2c(-c3ccccc3)cccc12,,0.35157885,,,
+1580080124,*CC(O)CN(*)c1ccc(N=Nc2ccc(Cl)cc2)cc1,,0.37983776,,,
+1580221416,*OC(=O)c1ccc(C2(C)CC(C)(C)c3ccc(C(=O)Oc4ccc5c(c4)Oc4cc(*)ccc4C5(C)C)cc32)cc1,,0.38516135,,,
+1580258863,*CC(*)c1ccc(C[Si](C)(C)C)cc1,,0.42588217,,,
+1580474538,*c1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc2)cc1,,0.35041515,,,
+1580553227,*c1ccc(-c2cc(-c3ccc(OCCCC#N)cc3)cc(-c3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)n2)cc1,,0.38498267,,,
+1580795142,*CC(*)OC(=O)C(C)(C(C)C)C(C)C,,0.38169655,,,
+1580898665,*c1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c(C)c2)cc1C,271.2577887,,,,
+1580966726,*Oc1ccc(-c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.34552239,,,
+1581168714,*C(=O)OCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.34341892,,,
+1581284687,*Nc1ccc(C2(c3ccc(N*)cc3)CC2)cc1,,0.35420303,,,
+1581446027,*CC(*)CCCCCCCCCCCC,,0.40857787,0.339,0.805359167,11.32200697
+1581749502,*C(C)C(=O)N1C(=O)N(C(=O)C(C)n2c(=O)c3cc4c(=O)n(*)c(=O)c4cc3c2=O)C(=O)C1(C)C,252.5865186,,,,
+1582367381,*CC(COc1ccc(S(=O)(=O)c2ccc(O*)cc2)cc1)OC(C)=O,,0.34921256,,,
+1582377269,*/C=C/c1cc(OCCCCCC)c(*)cc1OC,,,0.524,0.956645411,21.10266717
+1582774157,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(-c5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1C,,0.36164862,,,
+1583167273,*Oc1ccc(Oc2ccc(Oc3ccc(-c4ccc(Oc5ccc(Oc6ccc(Oc7ccc(C(=O)c8ccc(*)c(S(=O)(=O)O)c8)cc7S(=O)(=O)O)cc6)cc5)cc4)cc3)cc2)cc1,151.7193386,,,,
+1583422885,*C=Cc1ccc(*)c(OCc2cc(OCc3cc(OCCC(C)CCCC(C)C)cc(OCCC(C)CCCC(C)C)c3)cc(OCc3cc(OCC(CC)CCCC)cc(OCC(CC)CCCC)c3)c2)c1,,0.38019139,,,
+1583607044,*CCCOc1cccc(C(=O)OC(=O)c2cccc(O*)c2)c1,,0.33347035,,,
+1583883601,*Nc1ccc([C@@](C)(c2ccccc2)c2cccc(N*)c2)cc1,,0.35514854,,,
+1583954692,*C#CC#Cc1ccc2c3ccc(*)cc3n(CCCCCCCCCCCCCCCC)c2c1,68.35869686,,,,
+1584418791,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,,0.42325418,,,
+1584609339,*O[Si](C)(C)c1ccc([Si](*)(C)C)c2ccccc12,,0.41683838,,,
+1584656772,*Oc1ccc(C(C)(C)c2ccc(OP3(Oc4ccc(C(=O)OCCC)cc4)=NP(Oc4ccc(C(=O)OCCC)cc4)(Oc4ccc(C(=O)OCCC)cc4)=NP(*)(Oc4ccc(C(=O)OCCC)cc4)=N3)cc2)cc1,,0.35923565,,,
+1584683487,*CC(*)(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc(C3OCC4(CO3)CC3C=CC4C3)cc2)cc1,,0.3605339,,,
+1584732566,*CC(*)(C)C(=O)Oc1ccc2ccccc2c1,,,0.1639999999999999,1.079099726,12.73790543
+1586829326,*Nc1ccc(C(C)(C)c2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.35733919,,,
+1587202589,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C6(c7ccc(Oc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7)CC7CC6C6CCCC76)cc5)cc3)C4=O)cc2)cc1,,0.36705724,,,
+1587391923,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)c3cc(NC(=O)c4ccc(NC(=O)C(C)N5C(=O)c6ccccc6C5=O)cc4)cc(C(*)=O)c3)cc2)cc1,,0.34562786,,,
+1587431956,*CCCS(=O)(=O)CCCS(=O)(=O)CCCOC(=O)c1cccc(C(=O)O*)c1,,0.35154023,,,
+1587454382,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C3CCC(CC5CCC(N6C(=O)c7ccc(*)cc7C6=O)CC5)CC3)C4=O)cc2)cc1,,0.36177897,,,
+1587941896,*CCCC(C)(C)CNC(=O)CCCCCCCC(=O)N*,,0.34975469,,,
+1588269269,*Nc1c(N)c(N)c2c(c1N*)C(=O)OC2=O,,0.32340891,,,
+1588320432,*CCN(CCCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1)CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.34069727,,,
+1588395205,*c1ccc(Oc2ccccc2Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1,,0.3645119,,,
+1588401171,*Nc1ccc(C(CCC(c2ccc(N)cc2)c2ccc(N*)cc2)c2ccc(N)cc2)cc1,,0.35794575,,,
+1588466256,*CC(*)c1ccc(CC)cc1,,0.4044765,0.2013333333333333,,
+1588472676,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(NC(=O)c4ccc(NC(=O)C(C)N5C(=O)c6ccccc6C5=O)cc4)cc(C(*)=O)c3)cc2)cc1,,0.34759081,,,
+1588623527,*Nc1ccc(C2=C(c3ccc(N*)cc3)CCCC2)cc1,,0.36462438,,,
+1588749798,*CC(=C)COCC(=C)COC(=O)O*,,0.3369446,,,
+1589240697,*Oc1ccc(C(c2ccc(OC(*)=O)cc2)C2CCCCC2)cc1,,0.37459903,,,
+1589532910,*C=CC1CC(*)C(C(=O)OC)C1C(=O)OC,,0.35233888,,,
+1589608719,*CCCCCC(*)CCCCCCCCCCCCCC,,,0.403,0.80443165,14.47745133
+1589952649,*Nc1ccc(NC(=O)CCCC(*)=O)cc1,,0.31441962,,,
+1590006077,*O[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](*)(C)C,,0.49804119,,,
+1590491705,*c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc(N4C(=O)c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(Oc8ccc(-c9c(-c%10ccccc%10)c(-c%10ccccc%10)c(*)c(-c%10ccccc%10)c9-c9ccccc9)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)cc5C4=O)cc3)c1)C2=O,,0.39872119,,,
+1591097153,*CCCCOC(=O)NCCCCNC(=O)O*,,0.32569334,,,
+1591202562,*OC(=O)OCCCCCCCCOC(=O)OC1COC2C(*)COC12,,0.33598554,,,
+1591469994,*CC(*)CC(C)C,,,0.2083333333333333,0.765836941,11.25375484
+1591544351,*C(C#N)=Cc1cc(OCCCCCCCCCCCCCCCC)c(C=C(C#N)c2cc(OCCCCCCCCCCCCCCCC)c(*)cc2OC)cc1OC,,0.39805364,,,
+1591651244,*CCC1CCC(*)C1,,,,0.880692229,25.78669657
+1591681848,*Nc1ccc(-c2c(-c3ccccc3)ccc(N*)c2-c2ccccc2)cc1,,0.36149058,,,
+1591697879,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(NC(=O)c4cc(NC(=O)c5ccncc5)cc(C(=O)Nc5ccc(*)cc5)c4)cc3)cc2)cc1,,0.35362805,,,
+1592713963,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.34916517,,,
+1592724652,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(C(C)C)c2)cc1C(C)C,,0.39498446,,,
+1593705376,*Nc1cc(NC(=O)NC2CCC(CC3CCC(NC(*)=O)CC3)CC2)cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1,,0.34331689,,,
+1594377223,*c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(*)(=O)=O)cc2)cc1,,0.34520274,,,
+1594695636,*Oc1ccc(C(=O)OCCOC(=O)c2ccc(*)cc2)cc1,,0.34122405,,,
+1594797785,*Oc1ccc(Sc2ccc(Oc3ccc(-c4ccc(-c5ccc(*)c(C(F)(F)F)c5)cc4)cc3C(F)(F)F)cc2)cc1,,0.37806344,,,
+1594981326,*CC(=O)Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)c(F)c2F)cc1,,0.33657991,,,
+1595107250,*Oc1ccc(C2(c3ccc(Oc4nc(*)nc(OC)n4)cc3)CCCCC2)cc1,,0.36354043,,,
+1595192960,*CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33616908,,,
+1595605865,*CC(*)OC(=O)c1ccccc1,,0.356021,0.1669999999999999,1.101556822,13.40000836
+1595837642,*Nc1ccc([C@@H](CC)c2ccccc2[C@H](CC)c2ccc(N*)cc2)cc1,,0.36286788,,,
+1596320590,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCCCCCCCCCCCC)cc1,,0.35696126,,,
+1596743017,*C=C*,,0.42573737,,,
+1597060488,*Oc1ccc(Oc2ccc(OC(=O)c3ccccc3-c3ccccc3C(*)=O)cc2)cc1,,0.35136953,,,
+1597874068,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37756242,,,
+1598034786,*CC#CC(C#CCOC(=O)CCCCCCCCC(=O)O*)=Cc1ccc(C#Cc2ccccc2)cc1,,0.38414122,,,
+1598043126,*CC(*)(C)C(=O)Oc1ccc(CC#N)cc1,,0.36393077,0.1655,1.056556928,12.67707231
+1598367606,*Nc1ccc(CCc2ccc(N*)cc2)cc1,,0.3443961399999999,,,
+1598423326,*CC(*)(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc(OC)cc2)cc1,,0.35997482,,,
+1598641133,*c1ccc(-c2ccc(Oc3ccc(C4(C)CC(C)(C)c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9C8=O)cc7)cc6C(F)(F)F)cc54)cc3)c(C(F)(F)F)c2)cc1,,0.38259605,,,
+1599410150,*N=P(*)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl,,0.40414822,,,
+1599847368,*CC(=O)Nc1ccc(Oc2ccc(NC(=O)COc3ccc4ccccc4c3Sc3c(O*)ccc4ccccc34)cc2)cc1,,0.34293502,,,
+1599967213,*c1ccc2ccc3c(*)cc(C#CC=C)c4ccc1c2c34,,,0.429,0.757428031,34.48730282
+1600032316,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)c1)C2=O,,0.36374877,,,
+1600783315,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)c(N)c1,,0.37235553,,,
+1601240060,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(-c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)cc1)C2=O,232.2309602,,,,
+1601398939,*CCCCSC(=O)NCCCCCCNC(=O)S*,-33.13797704,,,,
+1601741460,*C(=O)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(*)s4)cc3)cc2)cc1,,0.37738334,,,
+1601815856,*C(F)(F)C(*)(F)OC(F)C(F)F,,0.33442051,,,
+1601908846,*Oc1ccc(Sc2ccc(OC3(F)C(*)(F)C(F)(F)C3(F)F)cc2)cc1,,0.36289708,,,
+1602086005,*O[Si](*)(CCC)c1ccccc1,,0.40185046,,,
+1602099447,*C=C(*)CCCOC(=O)c1cc(-c2ccc(OC)cc2)ccc1-c1ccc(OC)cc1,,0.34537263,,,
+1602838431,*CC(*)c1cc(-c2ccc(C(=O)OC3CC(C)CCC3C(C)C)cc2)ccc1-c1ccc(C(=O)OC2CC(C)CCC2C(C)C)cc1,,0.3845381,,,
+1602898253,*Nc1cccc(C(=O)c2cccc(N*)c2)c1,,0.33606974,,,
+1603135089,*CCCCNC(=O)CCCCCCCCCCC(=O)N*,,,0.332,,
+1603270914,*CCN(CCOC(=O)c1cccc(C(=O)O*)c1)c1ccccc1,,0.34654736,,,
+1603750308,*CC(*)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,,0.34223337,,,
+1604219408,*Nc1ccc(-c2cccc(-c3cccc(N*)c3)c2)cc1,,0.34269282,,,
+1604312905,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C(=O)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c2)cc1,,0.36139134,,,
+1605023913,*CCCCCCCCCCOc1ccc(C=Cc2ccc(OCCCCCCCCCCOP(=O)(O*)OCCCCCCCCCCOc3ccc(N=Nc4ccc(-c5ccccc5)cc4)cc3)cc2)cc1,,0.37252491,,,
+1605095414,*CC(*)C(=O)OCCCOc1ccc(C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.333167,,,
+1606219609,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=Cc4ccc(*)cc4)cc3)cc2)cc1,,0.37415859,,,
+1606350633,*CCCCCCCCCNC(=O)CCCCC(=O)N*,,0.35373615,,,
+1606377766,*CC1CCC(CNC(=O)CCCCCCCCC(=O)N*)CC1,,0.35003033,,,
+1606526460,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.42173166,,,
+1606960640,*CC=CCS(*)(=O)=O,,0.37641025,,,
+1607403554,*CCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.34308602,,,
+1607507482,*CCOC(=O)C(C)O*,,0.33713195,,,
+1607608174,*CCCCCCNC(=O)Cc1ccc(CC(=O)N*)cc1,,0.33740451,,,
+1607796915,*CC(*)c1ccc(CCCC)cc1,,,0.2096666666666666,,
+1607934568,*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.31780305,0.086,,
+1608160782,*CC(*)C(=O)NCCCCCCCC/C=C/CCCCCCCC,,,0.3065,0.860743742,12.94376545
+1608321923,*CC(*)C1CCCC(C)C1,,0.40571007,0.1806666666666666,,
+1608343989,*CC(*)C(=O)OCCCCSC,,0.39787287,0.2005,1.049744475,12.27513461
+1608850279,*Oc1ccc(C2(c3ccc(OC(=O)OC4C(C)(C)C(OC(*)=O)C4(C)C)cc3)CCC(C(C)(C)C)CC2)cc1,,0.37377889,,,
+1609267020,*CC(C)(C)COC(=O)NC(=O)c1cc(C(=O)NC(=O)O*)cc(C(C)(C)C)c1,,0.33019089,,,
+1609304413,*CCN(*)C(=O)CC(C)C,,0.36933528,,,
+1609366983,*C=CC1CC(*)C2CC=CC12,,0.39371357,,,
+1609819225,*Oc1cccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)c1,,0.36799842,,,
+1609876819,*CCCCOCO*,,0.35936946,,,
+1609935858,*Nc1cccc(C2(c3cccc(N*)c3)c3ccccc3-c3ccccc32)c1,,0.36665477,,,
+1610540990,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(C)(C)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.37152028,,,
+1610776533,*Nc1cccc(/C(=C(\c2ccccc2)c2cccc(N*)c2)c2ccccc2)c1,,0.37286645,,,
+1611088763,*C=Cc1c(OC(=O)c2ccc(C(=O)Oc3ccc4ccccc4c3C=Cc3cccc(*)n3)cc2)ccc2ccccc12,,0.36780539,,,
+1611331043,*CCCCCCCC(=O)N*,,0.35123354,0.329,,
+1611579500,*CC(*)c1cc(Br)ccc1OCC,,0.41409342,0.124,1.223503114,13.17144668
+1611681441,*CCC(C)=C(*)C,46.49641909,,,,
+1611694557,*CCCCCCCCCCCCOC(=O)CCCCC(=O)O*,,,0.292,0.946344135,19.57740116
+1612093023,*Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(NC(=O)c6cc(C(=O)Nc7ccc(-c8ccc(*)c(C(F)(F)F)c8)cc7)cc(C(C)(C)C)c6)cc5)cc4C(F)(F)F)cc3)c3ccccc3-c3ccccc32)cc1,,0.38174779,,,
+1612493686,*c1ccc(*)n1CC,112.6054346,,,,
+1612521768,*c1ccc(-c2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(*)ccc2-3)cc1,,0.40991145,,,
+1612716794,*Nc1cc2c3ccccc3c3ccccc3c2cc1N*,,0.3239493,,,
+1613645225,*OC(=O)Nc1ccc(Cc2ccc(NC(=O)OC3CC4CC(*)CC(C3)O4)cc2)cc1,,0.34955799,,,
+1613665911,*Nc1ccc(NC(=O)CCCCC(*)=O)cc1,,0.32538533,,,
+1613802032,*CCN(*)C(=O)C(OC)(c1ccccc1)C(F)(F)F,,0.3539454,,,
+1613873087,*c1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(S(*)(=O)=O)c2)c1,,0.34846813,,,
+1613930825,*Oc1ccc(C2(c3ccc(OC(=O)CCCC(*)=O)cc3)c3cc(N(C)C)ccc3-c3ccc([N+](=O)[O-])cc32)cc1,,0.37150042,,,
+1614031170,*c1cc(CCCCCC)c(*)s1,,0.42393246,,,
+1614212128,*Oc1c(C)cc(-c2cc(C)c(Oc3ccc(C(=O)c4ccc5cc(C(=O)c6ccc(*)cc6)ccc5c4)cc3)c(C)c2)cc1C,,0.40029643,,,
+1614580924,*CC(*)(C)C(=O)OCCCC1CCCCC1,,0.36533383,,,
+1614865951,*OC(=O)Cc1ccc(CC(*)=O)cc1,,0.32669712,,,
+1615078461,*C(=O)Nc1cccc(NC(=O)c2ccc(-c3nc4cc(*)ccc4[nH]3)cc2)c1,,0.35660397,,,
+1615328669,*CC(*)(C)C(=O)OC(OCC)C(F)(F)F,,0.35450066,,,
+1616202781,*CC(CO)(CO)CO*,,0.29427699,,,
+1617425937,*C=CC1CCC(*)C1,,0.3888656,,,
+1617530326,*c1ccc(Cc2ccc(N3C(=O)c4c(c(-c5ccccc5)c(-c5ccc(Oc6ccc(-c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7-c7ccccc7)C(=O)N(*)C8=O)cc6)cc5)c(-c5ccccc5)c4-c4ccccc4)C3=O)cc2)cc1,,0.40959126,,,
+1618024485,*CC(CO*)(CSC(C)C)CSC(C)C,,0.41655745,,,
+1618337987,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.38455792,,,
+1618366828,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](*)(C)C)cc2)cc1,,0.41576369,,,
+1618451585,*Nc1ccc(-c2ccc(-c3cccc(N*)c3)cc2)cc1,,0.34006851,,,
+1618749599,*c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3C)c2)c(C)c1,,0.37167757,,,
+1618910183,*Nc1cccc(NC(=O)c2ccc(C(*)=O)cc2)c1,,0.33550053,,,
+1618911351,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3cccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCCCCCCCCC)cc5)cc4)c3)cc2)cc1,,0.36170245,,,
+1618992612,*CCCCC(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)cc1,,0.33028108,,,
+1619024957,*CC1(*)CCCCC1,,0.36650758,0.1443333333333333,0.795413005,12.99416817
+1619167656,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(P(=O)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.38096649,,,
+1619197321,*C(=O)OCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.34367333,,,
+1619494019,*Oc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccccc4)c4ccc(OC(=O)c5ccc(C(*)=O)cc5)cc4)cc3)cc2)c2ccccc2)cc1,,0.37848459,,,
+1619516534,*CC(*)c1ccc(COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.34583882,,,
+1619538915,*Nc1cccc(Cc2ccccc2)c1-c1cccc(C[C@H](N*)c2ccccc2)c1,,0.34966936,,,
+1619869238,*CCCCCCCCCCNC(=O)CCCCCCCCCCCC(=O)N*,,,0.3685,0.912914925,24.40781229
+1620174791,*Oc1ccc(N=C(c2ccccc2)c2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(C(=Nc6ccc(*)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1,,0.38989325,,,
+1620481410,*c1ccc(Cc2ccc(N3C(=O)C(Cl)=C(Oc4ccc(C(C)(C)c5ccc(OC6=C(Cl)C(=O)N(*)C6=O)cc5)cc4)C3=O)cc2)cc1,,0.36623451,,,
+1620933064,*/C=C(/*)CCCCCCCCCCCCCCCCCCCCC(=O)O,,,0.403,0.868463517,14.07855526
+1621708323,*OC(CCCCCCC=C)CC(*)=O,,0.37192791,,,
+1621972035,*CC(*)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.35758203,,,
+1622243076,*Nc1ccc2ccc3cc4c(ccc5ccccc54)cc3c2c1N*,,0.33607115,,,
+1622288666,*C=CC(C)C(*)C(=O)OCCCN(C)c1ccc(N(C)C)cc1,,0.37642636,,,
+1622533278,*Nc1cc2c3ccc(-c4ccc(C)c(C)c4)c(-c4ccc(C)c(C)c4)c3c(N*)cc2c2ccccc12,,0.36400797,,,
+1623779443,*c1ccc(Oc2ccc(-c3csc(NC(=O)Nc4ccc(Cc5ccc(NC(=O)Nc6nc(*)cs6)cc5)cc4)n3)cc2)cc1,221.6298798,,,,
+1623821086,*Nc1ccc(NC(=O)c2cc(C(*)=O)c(C(=O)O)cc2C(=O)O)cc1S(=O)(=O)O[Na],129.970858,,,,
+1623930170,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C(c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)(C(F)(F)F)C(F)(F)F)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36693527,,,
+1624065789,*c1ccc(C(=O)NCCCCCCCCCCCCNC(=O)c2ccc(-c3nc4ccccc4nc3*)cc2)cc1,,0.36749027,,,
+1624256779,*OC(C)CCCCC(*)=O,,0.35745036,,,
+1624258093,*c1ccc(Oc2ccc(NC(=O)c3cc(C(=O)Nc4ccc(Oc5ccc(-c6nnc(*)o6)cc5)cc4)cc(N4C(=O)c5ccccc5C4=O)c3)cc2)cc1,,0.36154579,,,
+1624614703,*c1c(C)cc(C(c2cccnc2)c2cc(C)c(N3C(=O)CC(Nc4ccc(NC5CC(=O)N(*)C5=O)cc4)C3=O)c(C)c2)cc1C,,0.38844622,,,
+1624631059,*CC(*)(C)C(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1,,0.35532561,,,
+1625056718,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CC(C)CCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.3483794,,,
+1625717733,*CC(=O)N*,,,0.277,,
+1626154089,*Oc1c(-c2ccccc2)cc(*)cc1-c1ccc(C)cc1,,0.40218767,,,
+1626255936,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C(F)(F)C(F)(F)C(F)(F)c4cccc(C(*)=O)c4)c3)cc2)cc1,,0.35753446,,,
+1626278445,*Nc1ccc([C@@]23CC4C[C@@](c5ccc(N)cc5)(C2)C[C@](c2ccc(N*)cc2)(C4)C3)cc1,,0.36179754,,,
+1626805714,*CCOCCOCCOc1ccc(/C=C(\C)c2ccc(O*)cc2)cc1,,0.36211153,,,
+1626973373,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.35488648,,,
+1627008695,*Nc1cc(-c2ccccc2)c(-c2ccccc2)c(N*)c1-c1ccccc1,,0.36654455,,,
+1627088494,*c1ccc2c(c1)C(=O)N(c1cccc(C(O)c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.37192753,,,
+1628056427,*c1ccc2c(c1)C(=O)N(c1cccc(C(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.39990729,,,
+1628304289,*OC(*)CCC#N,,,0.1704999999999999,1.042557473,13.31406094
+1629034930,*Nc1ccc([C@]2(C)c3ccccc3C(C)(C)C2(N)N*)cc1,,0.36227751,,,
+1629642981,*CC(*)(C)C(=O)OCCCCCCc1ccc(C(C)=Cc2ccc(OC)cc2)cc1,,0.36591214,,,
+1629866625,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc4)C5=O)cc3)cc2)cc1,,0.35336088,,,
+1629965547,*CCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCOP(=O)(O*)OC)c(OC)c3)C2=O)cc1OC,,0.35092765,,,
+1630109402,*NNC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ncccc2C)C3=O)cc(C(=O)NNC(=O)CC(*)=O)c1,,0.3203758,,,
+1630196267,*CCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,,0.38015472,0.4137499999999999,0.900754814,21.54347658
+1630481907,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3C(F)(F)F)c(C(F)(F)F)c1)C2=O,,0.37183855,,,
+1630836772,*Nc1cc2ccc3cc(N*)cc4ccc(c1)c2c34,,0.33777593,,,
+1630847021,*Nc1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N*)cc2)cc1,,0.3719653,,,
+1631091445,*CC(S*)c1ccccc1,,0.3836093,,,
+1631230577,*Nc1cc2c(cc(N*)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c32)c2ccccc12,,0.37324607,,,
+1631608831,*CCNC(=O)c1cccc(O*)c1,,0.32622214,,,
+1632405014,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(-c5cc(C)c(N6C(=O)c7ccc(*)cc7C6=O)c(C)c5)cc3C)C4=O)c(C)c2)cc1C,,0.37933895,,,
+1632457388,*Nc1c(N*)c2c(ccc3c4ccccc4c4ccccc4c32)c2ccccc12,,0.35171057,,,
+1632465618,*C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(O)c(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,0.35532952,,,
+1632814958,*OS(=O)(=O)c1cc(S(=O)(=O)Oc2ccc(C3(c4ccc(*)c(C)c4)CCCCC3)cc2C)ccc1C,,0.37582472,,,
+1632815353,*C(=O)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc6)C7=O)cc5)cc4)OC(=O)c4ccccc43)cc2)cc1,,0.37651211,,,
+1633207070,*CC(*)c1ccccc1COCCC(C)C,,0.3832793,0.1943333333333333,0.924684677,10.79545525
+1633403102,*Nc1ccc(C(Cc2ccccc2)(Cc2ccccc2)N*)cc1,,0.35111176,,,
+1633678871,*Oc1ccc(-c2ccc(OC(=O)c3cc(OCCCc4ccccc4)c(C(*)=O)cc3OCCCc3ccccc3)cc2)cc1,,0.3524536,,,
+1634407816,*c1ccc(-c2cc(-c3ccc(OCCCCCCCCCCCC)cc3)cc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(*)ccc4-5)cc3)c2-c2ccc(OCCCCCCCCCCCC)cc2)cc1,,0.39788041,,,
+1634561399,*Nc1ccc(C(c2ccc(N*)cc2)c2ccccc2N)cc1,,0.3535621049999999,,,
+1634574344,*Oc1c(F)c(F)c(Sc2c(F)c(F)c(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(F)c2F)c(F)c1F,,0.37421023,,,
+1634828189,*CC(c1ccccc1)C1C(=O)N(c2ccc(NC(=O)OCC3CCCN3c3ccc([N+](=O)[O-])cc3)cc2)C(=O)C1*,,0.35437904,,,
+1634832271,*Oc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4cc(C(=O)Nc5ccc(*)cc5)cc(C(C)(C)C)c4)cc3)cc2)cc1,,0.36514177,,,
+1635058755,*c1ccc(-c2ccc(-c3cc(-c4ccccc4)c4cc(C5(c6ccc7nc(*)cc(-c8ccccc8)c7c6)c6ccccc6-c6ccccc65)ccc4n3)cc2)cc1,,0.43428946,,,
+1635294822,*c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Sc8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36662186,,,
+1635582225,*c1ccc2c(c1)C(=O)N(c1c(C)cc(-c3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O,,0.41327874,,,
+1635861860,*c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(=O)N(c5cccc(N7C(=O)c8ccc(*)cc8C7=O)c5)C6=O)cc4)cc3)cc2)cc1,,0.3765538,,,
+1636249880,*Nc1nc(N*)nc(-c2ccccc2)n1,,0.33811735,,,
+1637316087,*Oc1c(C)cc(C2(c3cc(C)c(Oc4ccc(C(=O)c5cccc(C(=O)c6ccc(*)cc6)c5)cc4)c(C)c3)c3ccccc3-c3ccccc32)cc1C,,0.41055555,,,
+1637447040,*Oc1cc(Oc2ccc(C(C)(C)c3ccc(*)cc3)cc2)cc(C(=O)Oc2ccc(N=Nc3ccc(C#N)cc3)cc2)c1,,0.37807662,,,
+1637633691,*c1cccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3cccc(N4C(=O)c5ccc(Oc6ccc(-c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)c3)c2)c1,,0.37011172,,,
+1637714713,*CC(*)F,,0.35585104,,,
+1638121977,*CCOC(=O)CC(=CC(=O)O*)c1ccc(OCC)cc1,1.131191733,,,,
+1638169555,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC3CCC2C3)cc1,,0.36263983,,1.084486229,20.59461102
+1638182470,*Nc1ccc(NC(=O)c2cc(-c3ccc(C(=O)OC)c(C(*)=O)c3)ccc2C(=O)OC)cc1,,0.33582892,,,
+1638745393,*CC(*)(CC(=O)OCC)C(=O)OCC,,0.34796844,0.1689999999999999,0.965285515,13.08823383
+1638921879,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCC(C)C)cc1,,0.3422569,,,
+1639290741,*CCCCCCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(-c6c(-c7ccccc7)cc(-c7ccc(O*)cc7)cc6-c6ccccc6)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1,,0.37246219,,,
+1639497900,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCCCCCCCCCCCC)cc1,,0.35598861,,,
+1639513148,*CC(*)c1cc(C(=O)Oc2ccc(OCC)cc2)ccc1C(=O)Oc1ccc(OCC)cc1,,0.34938746,,,
+1639677802,*C([2H])([2H])C(*)(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H],,0.33761653,,,
+1639769736,*CCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,,0.3710755,,,
+1639915624,*/C=C/CC*,,,0.2486666666666666,0.8411584645000001,19.29341066
+1640063479,*CCOCCOCCOCCOC(=O)CCSCCC(=O)O*,,0.34735821,,,
+1640191566,*OCCOc1cc(*)nc2ccc(C)cc12,88.77435741,,,,
+1640510001,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.35958208,,,
+1640870840,*CCCCCCCNC(=O)CCCCCC(=O)N*,,0.34960498,0.334,,
+1640890711,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37216457,,,
+1640897195,*c1cccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3cccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1,,0.37114282,,,
+1640937510,*c1ccc(Nc2cc(CCCCCCCC)c(*)s2)cc1,49.50827798,,,,
+1641068572,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1-c1ccccc1,,0.38222364,,,
+1641679741,*Oc1cccc(OC(=O)c2ccc(Oc3ccc(C(*)=O)cc3)cc2)c1,,0.34914542,,,
+1641687238,*CCCCOC(=O)NC1CC1NC(=O)O*,47.31586772,,,,
+1642318561,*Nc1ccc(C(C)C)c(-c2cccc(-c3cc(N*)ccc3C(C)C)c2)c1,,0.3756884,,,
+1642394880,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.35213618,,,
+1642545320,*Sc1ccc(Sc2ccc(Sc3cccc4c3C(=O)N(N3C(=O)c5cccc(*)c5C3=O)C4=O)cc2)cc1,,0.38724478,,,
+1643898977,*c1ccc2c(c1)C(=O)N(c1cccc(Oc3cccc(Oc4cccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c4)c3)c1)C2=O,,0.36251078,,,
+1644429324,*CCCCCCCCOc1ccc(C=Cc2cc(OCCCCCCCC)c(C=Cc3ccc(O*)cc3)cc2OCCCCCCCC)cc1,,0.38771383,,,
+1645271820,*CCCCCCCCCCCCCCOC(=O)CCCCC(=O)O*,,,0.3555,0.934642528,21.38435354
+1645416728,*CCC1C[N+](C)(C)CC1*,,0.77709707,,,
+1645801286,*Oc1ccc(N=Cc2ccc(OC(=O)CCCCC(=O)Oc3ccc(C=Nc4ccc(*)cc4)cc3OC)c(OC)c2)cc1,47.38250675,,,,
+1646057229,*Nc1ccc([C@@H](CCCCC)c2ccc(C(CCCCC)c3ccc([C@H](CCCCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.37024472,,,
+1646177027,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.37532001,,,
+1646241575,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cc(OCCCCC)cc(C(=O)O*)c1,,0.34110244,,,
+1646656305,*CC(*)CCC(C)C,,,0.216,0.772296641,12.17429097
+1646893921,*CC1CCC(COC(C)OC(=O)c2cccc(C(=O)OC(C)O*)c2)CC1,,0.35679176,,,
+1646933225,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1,,0.36556523,,,
+1646984336,*Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N*)c(-c3ccccc3)c2-c2ccccc2)c(C)c1C,,0.3811955,,,
+1647029479,*Cc1cccc(CNC(=O)c2cccc(C(=O)N*)c2)c1,,0.32986558,,,
+1647212497,*Nc1ccc(C2(c3ccc(N*)cc3)CCCc3ccccc32)cc1,,0.35799942,,,
+1647532424,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCC)cc1,,0.33994048,,,
+1647821918,*CC(*)(C)C(=O)OCC1COC(CP(=O)(OCC)OCC)O1,,0.34351571,,,
+1648167915,*OCCOC(=O)CCCC(=O)OCCOc1nc(-c2ccc(OC)cc2)nc(*)c1-c1ccc(OC)cc1,,0.34869133,,,
+1648532900,*CC(*)(C)C(=O)OCCOCCOCC[N+](CC)(CC)CCCCS(=O)(=O)O,,0.40560629,,,
+1648622866,*O[Si](*)(C)CCCn1c2ccccc2c2ccccc21,,0.37981607,,,
+1649223775,*NC(C)CC(*)=O,,0.32169997,,,
+1649295248,*NC1=CCCC(c2ccc(N*)cc2)=C1c1ccccc1,,0.35914225,,,
+1649345915,*NCc1ccc(N*)cc1,,0.322561555,,,
+1649518604,*Nc1ccc(C(c2ccccc2)(c2ccccc2)c2cc(C(c3ccccc3)(c3ccccc3)c3ccc(N)cc3)cc(C(c3ccccc3)(c3ccccc3)c3ccc(N*)cc3)c2)cc1,,0.3872297,,,
+1650000609,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3c(C)cc(S(=O)(=O)c4cc(C)c(O*)c(C)c4)cc3C)cc2)cc1,,0.36906105,,,
+1650198770,*c1ccc(Cc2ccc(N3C(=O)c4ccc([Si](C)(C)c5ccc([Si](C)(C)c6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4C3=O)cc2)cc1,,0.39503017,,,
+1650263868,*CC(*)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC,,0.35087647,,,
+1650643323,*CC(*)(C)C(=O)OCCCn1c2ccccc2c2ccccc21,,0.35272474,,,
+1651023431,*CC(*)C#N,,,0.207,0.979429396,20.43708909
+1651258408,*Oc1cccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(*)cc2)c1,,0.35425809,0.319,1.057348058,21.51389258
+1651483269,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2)cc1,,0.33710135,,,
+1652170327,*c1ccc(N[Se]Nc2ccc(S(*)(=O)=O)cc2)cc1,,0.38429931,,,
+1652404686,*CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.35651058,,,
+1652549742,*Oc1ccc(OC(=O)Oc2ccc(OC(*)=O)cc2)cc1C,120.5520321,,,,
+1652695363,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(-c4nc5ccccc5o4)cc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)n1,,0.36221433,,,
+1652765029,*Nc1c(C)c(N)c2c(c1O)C(=N)[C@@H](N*)[C@@H]2N,,0.32698788,,,
+1653502391,*CC(*)(CC(=O)OCCCc1ccccc1)C(=O)OCCCc1ccccc1,,,0.2055,1.080352066,10.10003467
+1653539066,*CCCCCCNC(=O)NCCCCNC(=O)N*,60.10434296,,,,
+1653668180,*CC(*)(C)C(=O)Oc1ccc(C)cc1C,,0.36833301,0.157,0.95674619,12.26970455
+1653699030,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)CCCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.3472328,,,
+1653991852,*Nc1cc(NC(=O)NC2CCC(CC3CCC(NC(*)=O)CC3)CC2)cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1,,0.34250678,,,
+1654010569,*CC(C)(C)COC(=O)CCC(=O)O*,,0.33568039,,,
+1654213224,*CC(*)CC1CCCCC1,,,0.2256,0.816505893,9.943107453
+1654272225,*Oc1c(Cl)cc(*)cc1Cl,,0.40066645,,,
+1654827899,*Nc1cc2ccc3cccc4ccc(c1N*)c2c34,,0.33185759,,,
+1654848941,*Oc1ccc(CCNC(=O)c2cccc(C(*)=O)c2)cc1,,0.33770384,,,
+1655220585,*c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc6[nH]c(*)nc6c4)C5=O)cc3C2=O)cc1,,0.39105508,,,
+1655318742,*OP(=O)(Oc1ccc(C)cc1)Oc1c(Br)cc(C(c2cc(Br)c(*)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br,,0.39766764,,,
+1655336489,*Nc1ccc2c(c1)Cc1cc(N*)ccc1-2,,0.34702763,,,
+1655603853,*C(Cl)=C(*)CCCC,,0.40171374,,,
+1655950813,*OC1CCC(OC(=O)OCCCCCCCOC(*)=O)CC1,,0.3452967,,,
+1656073293,*O[Si](C)(C)c1cccc2c([Si](*)(C)C)cccc12,,0.41204539,,,
+1656097465,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6cccc(Oc7ccc(C(C)(C)c8ccc(Oc9cccc%10c9C(=O)N(*)C%10=O)cc8)cc7)c6C5=O)cc4)cc3)cc2)cc1,,0.36779038,,,
+1656589637,*Nc1c(C)c(C)c(NC(=O)c2ccc(C(*)=O)cc2)c(C)c1C,205.6552433,,,,
+1656633508,*CCCOC(=O)Nc1cc(NC(=O)O*)ccc1C,,0.32689509,,,
+1657554335,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2-c2ccccc2)cc1,227.700588,,,,
+1658493417,*Nc1ccc(C2=C3CC=CC=C3[C@H](c3ccc(N*)cc3)c3ccccc32)cc1,,0.36999408,,,
+1658830563,*Nc1ccc2c(c1)C1(c3ccc(C)cc3-c3cc(C)ccc31)c1cc(N*)ccc1-2,,0.3945016,,,
+1659755878,*CCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,,,0.3944999999999999,0.916585437,18.81872143
+1659835488,*CC(C)(CC)COC(=O)c1ccc(C(=O)O*)cc1,,0.35427733,,,
+1659919472,*CC(=O)Nc1ccc(Oc2cccc(NC(=O)CN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.33266973,,,
+1660751847,*CCCCCCCCCCOC(=O)NCCCCCCNC(=O)O*,,0.35820456,,,
+1661316204,*c1ccc(-c2ccc(-c3cnc4cc(Oc5ccc6nc(*)cnc6c5)ccc4n3)cc2)cc1,,0.40678866,,,
+1661521840,*CCCc1ccc(-c2c(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.4001193,,,
+1661804021,*c1ccc(Sc2ccc(-c3nn(-c4ccc(S(=O)(=O)c5ccc(-n6nc(*)c7ccccc7c6=O)cc5)cc4)c(=O)c4ccccc34)cc2)cc1,,0.39793898,,,
+1662111173,*c1ccc(Oc2ccc(-c3nc4ccc(Oc5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)cc1,,0.42723558,,,
+1662427032,*Nc1ccc([C@H]2C=C[C@](N*)(c3ccccc3)C=C2)cc1,,0.34408307,,,
+1662473606,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.44568378,,,
+1662846692,*c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)cc1C)C2=O,,0.39438371,,,
+1663220707,*C1C=CC(*)CC1,103.377349,,,,
+1663257488,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(P(=O)(c5ccccc5)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)c3)C4=O)cc2)cc1,,0.36301636,,,
+1663514336,*CCCCCCCCCCCCOC(=O)CCCCCCC(=O)O*,,,0.284,0.931066388,19.58490022
+1663579742,*C1C2CCC(C2)C1S(*)(=O)=O,,0.369056,,,
+1664000422,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cc(-c5nc6ccccc6o5)cc(N5C(=O)c6ccc(*)cc6C5=O)c3)C4=O)cc2)cc1,,0.36410497,,,
+1664419715,*c1cc(C(=O)Oc2cccc3cccnc23)c(*)s1,,0.37063906,,,
+1665128334,*Oc1c(Cl)cc(C2(c3cc(Cl)c(OC(*)=O)c(Cl)c3)CC3CC2C2CCCC32)cc1Cl,,0.40815455,,,
+1665519447,*CCCCCCOC(=O)CCCCC(=O)O*,,0.34866959,,,
+1665622920,*CCCCCCc1ccc(-c2c(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.39784741,,,
+1666147237,*Oc1ccc(NCC(=O)c2ccc(Sc3ccc(C(=O)CNc4ccc(*)cc4)cc3)cc2)cc1,,0.37243845,,,
+1666787967,*Nc1c(N*)c(C=C)c2c(c(N)cc3cc4ccccc4cc32)c1N,,0.33559089,,,
+1666962714,*NC(CCC(=O)OCc1ccc(C(F)(F)F)cc1)C(*)=O,,0.32727613,,,
+1667507467,*CC(=O)C(*)C,,0.3478615,,,
+1668029928,*c1ccc(Oc2ccc(-c3cccc4c3C(=O)N(Oc3ccc(C(=O)c5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc3)C4=O)cc2)cc1,,0.36324031,,,
+1668423016,*Cc1cc(C)c(CNC(=O)CCCCC(=O)N*)cc1C,,0.33390015,,,
+1668799995,*Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccc(Oc5ccc(NC(=O)c6cc7cc(*)ccc7oc6=O)cc5)cc4)cc3)cc2c1,,0.34606436,,,
+1669065753,*CC(*)c1c(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F,,0.33681331,,,
+1669177512,*CC(*)OC(=O)C(C)(C)CCC,,0.37264329,,,
+1669233687,*Nc1ccc2c(c1)-c1cc(N*)ccc1C2(c1cccc(N)c1)c1cccc(N)c1,,0.36327094,,,
+1669324306,*CC(*)c1ccc(C(O)CCN2CCOCC2)cc1,,0.35614962,,,
+1669400778,*CC(*)(C)C(=O)OCC1CCC1,,0.36732984,,,
+1669411867,*c1ccc(Oc2cccc(N3C(=O)c4ccc([Si](C)(C)O[Si](C)(C)c5ccc6c(c5)C(=O)N(c5cccc(Oc7ccc(-c8nnc(*)o8)cc7)c5)C6=O)cc4C3=O)c2)cc1,,0.38763458,,,
+1669796123,*CCOCCOC(=O)NCCCCCCNC(=O)O*,,0.33299427,,,
+1669900077,*Nc1ccc2c3ccccc3c3ccc(N*)c4ccc1c2c43,,0.32846656,,,
+1669945913,*CC(*)c1ccc([Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc1,,0.45056995,,,
+1670036740,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.37228943,,,
+1670250046,*CC(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(*)C4=O)cc2)cc1,,0.34110112,,,
+1670434070,*c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)c6cc(-c7ccc8nc(*)cc(-c9ccccc9)c8c7)ccc6n5)cc4)cc3)cc2)cc1,,0.40260098,,,
+1670881683,*Nc1ccc2cc(C)ccc2c1-c1c(N*)ccc2cc(C)ccc12,,0.36235466,,,
+1671082130,*CC(O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(O)COc2ccc(C3(c4ccc(O*)cc4)c4ccccc4-c4ccccc43)cc2)c1,,0.34976889,,,
+1671135336,*CC(C)(CO*)COCC(F)(F)F,,0.36946745,,,
+1671251574,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(P(=O)(c4ccccc4)c4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)c2)C3=O)n1,,0.35663308,,,
+1671488348,*Nc1ccc(-c2ccc(N*)c(-c3ccc(C=C)cc3)c2-c2ccc(C=C)cc2)cc1,,0.35874439,,,
+1671953980,*CCCCCCNC(=O)CCc1ccc(CCC(=O)N*)cc1,,0.34609374,,,
+1672793262,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(NC(=O)c4cc(C(=O)Nc5ccc(*)cc5)cc(C(C)(C)C)c4)cc3)cc2)cc1,,0.36687927,,,
+1672845324,*CC(*)c1ccc(Cl)cc1C,,,0.1366666666666667,1.05867232,13.55500415
+1672978154,*CCN(*)C(=O)c1cc(F)c(F)c(F)c1,,0.33491733,,,
+1673102109,*c1ccc(C2(c3ccc(-c4cc(-c5ccccc5)c5cc(C6(c7ccc8nc(*)cc(-c9ccccc9)c8c7)c7ccccc7C(=O)c7ccccc76)ccc5n4)cc3)c3ccccc3C(=O)c3ccccc32)cc1,,0.43993459,,,
+1673426681,*CC(*)(C)C(=O)OCCS(=O)CC,,0.3575264,0.199,1.117069249,12.05051013
+1673485707,*c1nc(C)nc(N(CCCCCCCCCCN(*)c2ccccc2)c2ccccc2)n1,,0.39169547,,,
+1673575394,*Nc1cccc(S(=O)(=O)c2cccc(N*)c2)c1,,0.336299775,,,
+1673823356,*NNC(=O)c1ccc(C(*)=O)cc1OCCCCCCCCCC,,0.36401661,,,
+1674464256,*Oc1ccc(C2(c3ccc(OC(*)=O)c(C)c3)CC3CCC2C3)cc1C,,0.38156407,,,
+1674887519,*CC(*)C(=O)OCCC(C)C,,,0.224,0.928263907,11.86917301
+1674948032,*Sc1c(C)cc(*)cc1C,,0.42844078,0.145,1.048021071,18.9131789
+1674954682,*c1ccc2c(c1)C(=O)N(C1CCC(CC3CCC(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)CC3)CC1)C2=O,,0.36673379,,,
+1675272151,*CC(*)(C)C(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1,,0.34771734,,,
+1675542774,*CCC(C)(C)C(*)(C)C,,0.38272137,,,
+1675605229,*CCC1CC(*)C2C3CC(c4ccc(COC(C)CC)cc4)C(C3)C12,,0.37580265,,,
+1675845282,*CC(*)C(=O)NC(C)C,,0.36205539,0.203,0.951472262,13.50097132
+1676036975,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(-c6nc(-c7ccccn7)nnc6*)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1,,0.40668886,,,
+1676176971,*Oc1ccc(C(CC)(c2ccccc2)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.37078236,,,
+1676315941,*Oc1ccc(C(C)(C)c2ccc(Oc3c(F)c(F)c(COC(c4cccc(C(OCc5c(F)c(F)c(*)c(F)c5F)(C(F)(F)F)C(F)(F)F)c4)(C(F)(F)F)C(F)(F)F)c(F)c3F)cc2)cc1,,0.34981945,,,
+1676729998,*CC(*)(C)C(=O)OCCN(C)c1ccc(N(C)C)cc1,,0.36781623,,,
+1676759354,*c1cccc(C(=O)Nc2ccc(Oc3cccc(Oc4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)c5)cc4)c3)cc2)c1,,0.35354105,,,
+1676853034,*CC(*)(C)C(=O)OCc1ccc(C=CC(=O)Oc2ccc3oc(=O)ccc3c2)cc1,,0.32586124,,,
+1677073370,*C=CC1CC(*)C([Si](C)(C)C[Si](C)(C)C)C1,,0.40768894,,,
+1677533093,*Nc1ccc(-c2ccccc2)c(-c2ccc(N)c(N)c2)c1N*,,0.33277847,,,
+1677600893,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.36082508,,1.104373146,25.54111019
+1677738702,*Oc1ccc(NC(=O)c2ccc(P(=O)(c3ccccc3)c3ccc(C(=O)Nc4ccc(*)cc4)cc3)cc2)cc1,,0.36140539,,,
+1677875786,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(N5C(=O)C6CCC(C7CCC8C(=O)N(*)C(=O)C8C7)CC6C5=O)cc4)cc3)cc2)cc1,,0.37368086,,,
+1678384884,*CC(*)OCCCCCCCCCCCCCCCCCC,,,0.3868,0.834274703,12.10790061
+1678410522,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c2)cc1,,0.36119682,,,
+1678521620,*CC(O*)c1ccco1,,0.36350816,,,
+1678768525,*C(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)c4cc(*)ccc4n5C)cc3)OC(=O)c3ccccc32)cc1,262.5942508,,,,
+1678882147,*CC(*)OC(=O)c1ccc(Br)cc1,,0.38128079,,,
+1679226425,*Nc1ccc(C2(c3ccc(N*)cc3)CCC2(c2ccc(N)cc2)c2ccc(N)cc2)cc1,,0.37813226,,,
+1679285370,*c1cccc(OCCCCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.34918119,,,
+1680789160,*C(=O)Nc1ccc(C2(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CCC(C(C)(C)CC)CC2)cc1,,0.37936354,,,
+1681110916,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccc(F)cc5)C6=O)cc4)cc3)cc2)cc1,,0.3755704,,,
+1681628667,*Nc1ccc(C2(c3ccc(N*)c(CC)c3)c3ccccc3-c3ccccc32)cc1CC,,0.38152925,,,
+1681775861,*Nc1ccc2c(-c3ccccc3)c(N*)c(-c3ccccc3)cc2c1,,0.35638928,,,
+1681905956,*Nc1ccc2cc3ccc4cccc5ccc(c2c1N*)c3c45,,0.33707635,,,
+1682827181,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.34685932,,,
+1682832675,*CCCCCCOC(=O)C(C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1)c1ccccc1,,0.35801462,,,
+1682900060,*c1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Sc5ccc(N6C(=O)c7ccc(C(=O)Nc8ccc(Oc9ccc(C%10(*)NC(=O)c%11ccccc%11%10)cc9)cc8)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.3676725,,,
+1683248477,*Nc1ccc(Cc2ccc(CCC(CC)(c3ccc(Cc4ccc(N)cc4)cc3)c3ccc(Cc4ccc(N*)cc4)cc3)cc2)cc1,,0.36374897,,,
+1683353689,*CCCCCCNC(=O)C=C(C)C(=O)N*,,0.33327284,,,
+1683593138,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccccc3N3C(=O)c4ccc(*)cc4C3=O)cc1)C2=O,,0.37532508,,,
+1683816678,*CC(*)CCCCCCCCCCCCC,,,0.3383333333333333,0.803265072,11.57516404
+1683834264,*CC=Cc1cc(C(C)(C)c2ccc(O)c(C=CCC3CC(=O)N(c4ccc(Cc5ccc(N6C(=O)CC(*)C6=O)cc5)cc4)C3=O)c2)ccc1O,,0.35434136,,,
+1683937350,*C(*)(F)F,,0.32274038,,,
+1684744857,*Nc1ccc(N*)cc1,,0.32369134,,,
+1684855250,*O[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](C)(C)C#C[Si](*)(C)C,,0.49693178,,,
+1685057897,*OCCCCOC1COC2C(OC(=O)CCCCC(=O)OC3COC4C(*)COC34)COC12,,0.33206648,,,
+1685441802,*Nc1ccc([C@]2(C)CC(C)(C)c3cc(N*)c(N)cc32)cc1,,0.36997618,,,
+1685639309,*Nc1ccc(N*)c2cc3ccccc3cc12,,0.33960265,,,
+1685741842,*Oc1ccc(S(=O)(=O)c2ccc3cc(S(=O)(=O)c4ccc(Oc5c(C)cc(-c6cc(C)c(*)c(C)c6)cc5C)cc4)ccc3c2)cc1,,0.39138896,,,
+1685793065,*NC1=CC[C@H](C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N*)cc2)C=C1,,0.35960608,,,
+1685901918,*CCCCCCC(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)cc1,,0.33743021,,,
+1686044145,*Nc1ccc(-c2ccc(N*)cc2-c2ccc(-c3ccccc3)cc2)cc1,,0.34993468,,,
+1686536548,*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)c3cccc4ccccc34)cc1C)C2=O,,0.43039552,,,
+1686718921,*CCCCCCCCCCC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)CCCCCCCCCCN4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.35369987,,,
+1686919611,*Nc1cc2c(N*)ccc3c4cc(N)c5c(O)cc(O)c6c5c4c(c(c1)c23)=CC6=N,,0.33150168,,,
+1686952032,*Oc1ccc(NC(=C(C#N)C#N)c2ccc3cc(C(Nc4ccc(*)cc4)=C(C#N)C#N)ccc3c2)cc1,,0.40578459,,,
+1687301626,*Nc1ccc(C2(c3ccc(N)c(N*)c3)c3ccccc3-c3ccccc32)cc1N,,0.374004235,,,
+1687734708,*CC(*)c1nc(C)nc(C)n1,,0.41591473,,,
+1687858276,*c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)cc3)c1)C2=O,,0.36843914,,,
+1687871916,*c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O,,0.42868802,,,
+1687937320,*Oc1cccc(S(=O)(=O)c2ccc(*)cc2)c1,,0.36277988,,,
+1688474833,*OC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)c2ccc(C(*)=O)cc2)cc1,,0.34059869,,,
+1688918153,*Oc1ccc(C(=O)c2cccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(C(=O)c4ccc(*)cc4)cc3)c2)cc1,,0.35168897,,,
+1689325307,*Nc1cc(Oc2ccccc2)c(N*)c(N)c1N,,0.32209092,,,
+1689591467,*CCCCCCCCCCCNC(=O)CCCCC(=O)N*,,,0.3295,0.9550917,21.59948372
+1689883319,*=C=C=C(CCCCOC(=O)Nc1ccccc1)C(=*)CCCCOC(=O)Nc1ccccc1,,,,1.089327475,15.55466977
+1690031324,*CC(*)c1cc(Cl)ccc1Cl,,,0.1119999999999999,1.217628771,15.81204712
+1691054850,*C(=O)Nc1ccc(Oc2c(C)cc(C(C)(C)c3cc(C)c(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(C8(c9ccc(Oc%10ccc(N%11C(=O)c%12ccc(*)cc%12C%11=O)cc%10)cc9)CC9CC8C8CCCC98)cc7)cc5)C6=O)cc4)c(C)c3)cc2C)cc1,,0.382364,,,
+1691146038,*OC(COC(=O)NCCCCCCNC(*)=O)c1ccco1,,0.33835382,,,
+1691546435,*c1nc2cc(S(=O)(=O)c3ccc4oc(C5CCC(*)CC5)nc4c3)ccc2o1,,0.3932565,,,
+1692151346,*CC1CCCC(COC(=O)c2ccc(C(=O)O*)cc2)C1,,0.35298607,,,
+1692408347,*CC(*)(C)C(=O)OCCN(C)c1ccc(N=Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,,0.36514397,,,
+1692538741,*CC(*)(C#N)C(=O)OC,,,0.161,1.044265535,17.02409485
+1693140082,*O[Si](*)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,-68.87734458,,,,
+1693262682,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.36953742,,,
+1693536620,*/C=C/CCC*,,,0.26655,0.834588519,18.18601938
+1694201985,*c1ccc(Oc2ccc(Oc3ccc(P(=O)(c4ccccc4)c4ccc(Oc5ccc(Oc6ccc(-c7nc8ccccc8nc7*)cc6)cc5)cc4)cc3)cc2)cc1,,0.38425793,,,
+1695745153,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C)cc(Cc4cc(C)c(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)c(C)c4)cc3C)cc1)C2=O,,0.38922074,,,
+1695808727,*N=P(*)(OCCOCCOCCOC)OCCOCCOCCOC,,0.35486325,,,
+1695838608,*O[Si](C)(C)c1cc(OCCO)c([Si](*)(C)C)cc1OCCO,,0.37188313,,,
+1695890113,*CCCCCCCCCCC(Cl)C(*)Cl,,0.39676884,0.316,1.005372382,22.70085055
+1696155039,*C([2H])([2H])C(*)([2H])Cl,,0.37387095,,,
+1696182166,*Oc1ccc(C(=O)OCCN(CCOC(=O)c2ccc(OC3(F)C(*)(F)C(F)(F)C3(F)F)cc2)c2ccc(C=CC3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)cc1,,0.36168331,,,
+1696331324,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(-c4cc(C)c(*)c(C)c4)cc3C)cc2)cc1,,0.39339685,,,
+1696343001,*c1ccc(OCCCOc2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.35291227,,,
+1696594426,*Nc1cc2c(cc1N*)[C@H]1CC[C@@H]2C1,,0.35993676,,,
+1696699726,*Cc1cc(COC(=O)Nc2ccc(Cc3ccc(NC(=O)O*)cc3)cc2)cc(C(C)(C)C)c1,,0.35650637,,,
+1696944079,*CC(*)(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1,,0.39639923,0.1694999999999999,0.957033344,10.04778986
+1696993963,*CC(*)c1ccc(C(=O)CC)cc1,,0.3774075,,,
+1697131748,*Nc1ccc(N*)c2c1C[C@@H](O)[C@H]2N,,0.32527801,,,
+1697480499,*c1ccc(C(=O)Oc2c(C)cc(C(c3cccnc3)c3cc(C)c(OC(=O)c4ccc(N5C(=O)CC(Nc6ccc(NC7CC(=O)N(*)C7=O)cc6)C5=O)cc4)c(C)c3)cc2C)cc1,,0.38079558,,,
+1697683442,*CCCOCCCCOCCCN1C(=O)c2ccc(C(=O)Oc3ccc(C(C)(C)c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34615507,,,
+1697824573,*Nc1cc([N+](=O)[O-])c(NC(=O)CCCCCCCCCCC(*)=O)cc1C=Cc1ccc(N(C)C)cc1,,0.35455776,,,
+1697849650,*Oc1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(*)cc3)ccc2C)cc1,,0.34206534,,,
+1697989359,*c1ccc(-c2ccc(-c3nc4cc(Oc5ccc6nc(-c7ccccc7)c(*)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,0.42387436,,,
+1699061144,*Nc1ccc(Cc2cccc(C(C)(C)c3ccc(N*)cc3)c2)cc1,,0.35256271,,,
+1699412272,*CCCCCCOC(=O)OCCCCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.35593526,,,
+1699735817,*Nc1ccc(C2(c3ccc(N*)c(C(C)(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)(C)C,,0.39115319,,,
+1699979757,*C(*)C(=O)OCCC,,0.38345076,,,
+1700419938,*c1c(C)cc(C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.43003915,,,
+1700578264,*Oc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(*)cc2)cc1,,0.34746438,,,
+1700596879,*c1c(C)cc(-c2cc(C)c(N3C(=O)c4cccc(Oc5c(C)cc(Cc6cc(C)c(Oc7cccc8c7C(=O)N(*)C8=O)c(C)c6)cc5C)c4C3=O)c(C)c2)cc1C,,0.39281003,,,
+1700600089,*Nc1ccc(C2(c3ccc(N*)c(CC)c3C)c3ccccc3-c3ccccc32)c(C)c1CC,,0.38884265,,,
+1700861962,*CC1CCC(COC(C)OC(=O)c2ccc(C(=O)OC(C)O*)cc2)CC1,,0.36174353,,,
+1700926472,*c1cccc(-c2nc3ccc(Oc4ccc5nc(*)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)c1,,0.43473817,,,
+1701051836,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.36060547,,,
+1701314200,*Nc1ccc(C2(c3ccc(N*)cc3)C3=C(C=CCC=C3)c3ccccc32)cc1,,0.36502239,,,
+1701467144,*Oc1ccc(CC(Cc2ccc(*)cc2)(C(=O)OCC)C(=O)OCC)cc1,,0.36224127,,,
+1701555449,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)cc2)cc1,,0.39244447,,,
+1701689653,*Nc1ccc([C@]23C[C@@H]4C[C@@H]5[C@H]2C[C@@H]2C[C@H]3[C@H](C4)[C@@]5(c3ccc(N*)cc3)C2)cc1,,0.36708387,,,
+1701728451,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(Cl)c4)cc3Cl)cc2)cc1,,0.38291342,,,
+1701758700,*NC(c1ccccc1)C(C)(C)C(*)=O,154.3595069,,,,
+1701768765,*/C=C/c1cc(OCCCCCCCC)c(*)cc1OC,,,0.31,0.939190483,17.48153992
+1701867111,*C=CC1CC(*)C(C#N)(C[Si](C)(C)C)C1,,0.4252906,,,
+1702325651,*Nc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(NC(=C(C#N)C#N)c4ccc(C(*)=C(C#N)C#N)cc4)cc3)c2)cc1,,0.40367737,,,
+1702635264,*CC(O)COc1ccc(C(=O)c2ccc(O*)cc2)cc1,,0.3378744,,,
+1702898348,*Oc1cccc(Oc2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(*)cc4)c3)cc2)c1,,0.35286115,,,
+1703438177,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)Oc5ccc(C6(c7ccc(OC(=O)c8ccc(*)cc8)cc7)CCC(c7ccccc7)CC6)cc5)cc4)cc3)CCC(C(C)(C)C)CC2)cc1,,0.37255795,,,
+1703477972,*Nc1ccc2c3cccc4cccc(c5c(N*)c(N)c(N)c1c25)c43,,0.33109076,,,
+1703879338,*Nc1ccc([C@@H](CCCCCCCCC)c2ccc(C[C@H](CC)c3ccc([C@@H](CCCCCCCCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36788809,,,
+1704241791,*Oc1ccc2c(c1)nc1c3cc4c(=O)n5c6cc(*)ccc6nc5c4cc3c(=O)n21,416.53,,,,
+1704546800,*Nc1cc(NC(=O)c2cccc(C(*)=O)c2)cc(C(=O)Nc2ccccc2)c1,233.599405,,,,
+1704728176,*OC(COC(*)=O)COC(C)(C)C,,0.36210657,,,
+1704846953,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc3ccccc3c2)cc1,,0.35356045,,,
+1705151635,*CCCCCCCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(O*)cc3)c2)cc1,,0.35153722,,,
+1705359198,*c1cc(-c2sc(-c3cc(CCCCCCCCCC)c(*)s3)cc2CCCCCCCCCC)c2cccccc1-2,,0.44266435,,,
+1705636874,*CCCCCC(*)C,,0.39985278,,,
+1705705134,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1,,0.35910287,,,
+1705754093,*CCNC(=O)CCCCC(=O)N*,,0.31065959,,,
+1706421625,*c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3cccc4ccccc34)cc1C)C2=O,,0.42170039,,,
+1706521131,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(C(*)=O)c3)c(C)c2)cc1C,,0.37521013,,,
+1706553936,*Nc1ccc(C(C)(CC([C@H]2CC[C@H](N)CC2)[C@H]2CC[C@H](N*)CC2)c2ccc(N)cc2)cc1,,0.35832784,,,
+1706591309,*CC(C)(C)CS*,,0.40110169,,,
+1706654876,*CCc1c(Cl)c(Cl)c(*)c(Cl)c1Cl,56.1987128,,,1.40293716,22.58883992
+1706741208,*Nc1ccc2c(-c3ccc(C)cc3)c3ccccc3c(-c3ccc(C)cc3)c2c1N*,,0.36448557,,,
+1706907888,*c1cccc(C(=O)Nc2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(-c9cccc%10c9C(=O)N(*)C%10=O)cc8C7=O)c6)cc5)cc4)cc3)cc2)c1,,0.35891264,,,
+1706935597,*c1cc(Br)c(Oc2c(Br)cc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2Br)c(Br)c1,,0.4209618,,,
+1706990929,*Nc1ccc(CCC(CCc2ccc(N)cc2)CCc2ccc(N*)cc2)cc1,,0.34748423,,,
+1707333225,*CC(*)CCc1ccccc1,,0.3743389,0.1803333333333333,,
+1707392895,*CCOP(=O)(N=Nc1ccc(CCOC(=O)c2cc(C(=O)OCCc3ccc(N=NP(=O)(O*)OC)cc3)cc(C(C)(C)C)c2)cc1)OC,,0.36089138,,,
+1707460536,*Nc1ccc(-c2ccc(N*)c(-c3cccc4ccccc34)c2)cc1,,0.34848599,,,
+1708403731,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(-c5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.36454739,,,
+1708543289,*OP(=O)(Oc1ccc(NC(=O)OCCCCCCOC(=O)Nc2ccc(*)cc2)cc1)c1ccccc1,,0.34447887,,,
+1709391995,*CCOCCOC(=O)C=CC(=O)NCCCCCCNC(=O)C=CC(=O)O*,,0.32070713,,,
+1710475458,*c1ccc(-c2ccc(S(*)(=O)=O)cc2)cc1,229.0539301,,,,
+1710724888,*NNC(=O)c1ccc(C(*)=O)cc1OCCCCC,,0.34962843,,,
+1710766762,*CC(*)(C)C(=O)OCCCCCCOc1ccc(N=Nc2ccc(OCCCCCCCCCC)cc2)cc1,,0.37981521,,,
+1711010706,*c1cccc(C(=O)c2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)c1,,0.36734681,,,
+1711102777,*CC(C)(C)C1C(=O)N(C(C)C)C(=O)C1*,,0.35984602,,,
+1711422948,*C(F)C(*)(F)F,,0.29955763,,,
+1711492844,*CC(*)(C)c1ccc2ccccc2c1,,0.37911502,,,
+1711893868,*Oc1ccc(N=Cc2ccc(Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(Oc5ccc(C=Nc6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.388023,,,
+1712077769,*c1cc(C(C)C)c(Oc2ccc(S(=O)(=O)c3ccc(Oc4cc(C)c(C5(*)OC(=O)c6ccccc65)cc4C(C)C)cc3)cc2)cc1C,,0.40334247,,,
+1712598778,*Nc1ccc(-c2cc(C)c(-c3c(C)cc(-c4ccc(N*)cc4)c4ccccc34)c3ccccc23)cc1,,0.37446309,,,
+1712933557,*CC(*)(C#N)C(=O)OCCCCCC,,0.38064914,0.217,0.966634258,12.966416
+1713382325,*CCCS(=O)(=O)CCCS(=O)(=O)CCCOC(=O)c1ccccc1C(=O)O*,,0.34598404,,,
+1713436070,*C(=C(c1ccc(*)cc1)c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1,,0.39509432,,,
+1713751559,*C(=O)c1ccc(N(*)CCCC)cc1,,0.39191799,,,
+1714607104,*C(=O)Oc1ccc(C2(c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6C)c(C)c4)C5=O)cc3)C3CC4CC(C3)CC2C4)cc1,,0.37949599,,,
+1715193116,*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc2)cc1,,0.36083172,,,
+1715294926,*c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nnc(-c4cncc(-c5nnc(*)o5)c4)o3)cc2)cc1,,0.44520609,,,
+1715402105,*c1cccc(C(=O)Nc2ccc(Oc3ccc(Oc4ccc(NC(=O)c5cccc(N6C(=O)c7ccc(-c8cccc9c8C(=O)N(*)C9=O)cc7C6=O)c5)cc4)cc3)cc2)c1,,0.35797628,,,
+1715831147,*c1ccc(Oc2ccc(-c3nc4cc(-c5ccc6nc(*)c(-c7ccccc7)nc6c5)ccc4nc3-c3ccccc3)cc2)cc1,,0.41936962,,,
+1715878525,*CCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCOP(=O)(O*)OCC)c(OC)c3)C2=O)cc1OC,,0.35140206,,,
+1715886560,*Oc1ccc(C=C2CCCC(=Cc3ccc(OC(=O)c4ccc(C(*)=O)cc4)c(OC)c3)C2=O)cc1OC,105.2246285,,,,
+1715966441,*CC(*)(C)C(=O)OCCCCl,,0.35991969,,,
+1716148933,*Oc1ccc(C(=O)c2cccc(NC(=O)c3ccc(C(=O)Nc4cccc(C(=O)c5ccc(*)cc5)c4)cc3)c2)cc1,,0.35027261,,,
+1717221182,*CCCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.37289188,,,
+1717592504,*CCCCCC(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(*)C3=O)cc1,,0.33289133,,,
+1718086689,*c1ccc(C(=O)Nc2ccc(-c3ccccc3NC(=O)c3ccc(S(*)(=O)=O)cc3)cc2)cc1,,0.35178104,,,
+1718233222,*Nc1ccc2cc3c(cc2c1-c1c(N*)ccc2cc4c(cc12)CCCC4)CCCC3,,0.37579984,,,
+1718354162,*CC1CCC(COC(=O)Nc2ccc(Cc3ccc(NC(=O)O*)cc3)cc2)CC1,,0.35905174,,,
+1718419889,*NC(CO)C(*)=O,84.57547927,,,,
+1718537835,*C(=O)C1=C(*)C2C=CC1C2,,0.35458952,,,
+1718822131,*C=CC1CC(*)C2C(=O)N(c3cccc(Br)c3)C(=O)C12,,0.39327609,,,
+1719173195,*Nc1c(C)cc(C[C@H](c2cc(C)c(N*)c(C)c2)[C@@H](Cc2ccc(N)c(C(C)(C)C)c2)c2ccc(N)c(C(C)(C)C)c2)cc1C,,0.38595192,,,
+1719193785,*CCCCCCNC(=O)CCCCCCCC(=O)N*,,0.35199351,,,
+1719420059,*Oc1ccc(C(=O)c2ccc(C(=O)c3ccc(*)cc3)cc2)cc1,,0.37803494,,,
+1719450087,*OC(=O)C(CC(C)C)NC(=O)CCCCCCCCC(=O)NC(CC(C)C)C(=O)OC1COC2C(*)COC12,,0.35171013,,,
+1719719052,*Nc1ccc2cccc3c4c(N*)ccc5cccc(c1c23)c54,,0.34011693,,,
+1720612082,*CCc1ccc(*)c(Cl)c1,,0.39148425,,,
+1720647838,*CC1CC2CC1C1CCC(CN3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(*)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)C21,,0.36864374,,,
+1720677048,*c1cccc(N2C(=O)C3CCC(C4CCC5C(=O)N(*)C(=O)C5C4)CC3C2=O)c1,,0.38218622,,,
+1720848416,*Nc1c(N)c(O)c(N)c(N2CCCCC2)c1N*,,0.33028423,,,
+1720993259,*Nc1ccc(Cc2ccccc2Cc2ccc(N*)cc2)cc1,,0.34535676,,,
+1721092492,*C=Nc1ccc(C(=O)OCCCCOCCCCOCCCCOC(=O)c2ccc(N=Cc3ccc4c(c3)c3cc(*)ccc3n4CC(CC)CCCC)cc2)cc1,,0.36987967,,,
+1721498000,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c(O)c1)C2=O,,0.37996131,,,
+1721517021,*=Cc1ccc(C2=CSC(=*)S2)cc1,105.3372816,,,,
+1722126361,*CC(*)(C)C(=O)OCCCCn1c2ccccc2c2cc(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21,,0.36195293,,,
+1722404544,*SSc1ccc(N=CNc2ccc(*)cc2)cc1,,0.41922647,,,
+1722437751,*c1ccc2c(c1)C(=O)N(c1ccc(OCCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.36013194,,,
+1722752192,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4C3=O)cc2)cc1,,0.36428259,,,
+1722899407,*c1ccc2c(c1)C(=O)N(c1cc(C(=O)Oc3ccc(C(c4ccc(OC(=O)c5ccc(C)c(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)(C(F)(F)F)C(F)(F)F)cc3)ccc1C)C2=O,,0.36997143,,,
+1723039756,*CCCCOc1ccc(C(=O)Nc2cccc(P(=O)(c3ccccc3)c3cccc(NC(=O)c4ccc(O*)cc4)c3)c2)cc1,,0.35398022,,,
+1723062866,*CC(*)(C)C(=O)OCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1,,0.34182885,,,
+1723225912,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2C)c(C)c1-c1ccccc1,,0.37354711,,,
+1723711090,*CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,,0.32377425,0.09,,
+1723857031,*CCCCCCOC(=O)OCCCCCCCCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.35910685,,,
+1724528524,*CC(O)COc1ccc(C2CC(C(C)C)CCC2(C)c2ccc(O*)cc2)cc1,,0.36433734,,,
+1724863374,*Oc1ccc(CNC(=O)c2cccc(C(=O)NCc3ccc(OC4COC5C(*)COC45)cc3)c2)cc1,,0.33419104,,,
+1725180972,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5cc(*)n(-c6ccccc6)n5)cc4)cc3)cc2)cc1,,0.38538397,,,
+1725259416,*c1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(-c5ccc(-n6c(=O)c7cc8c(=O)n(*)c(=O)c8cc7c6=O)cc5)c(-c5ccc(-c6ccccc6)cc5)c4)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1,435.0,,,,
+1725823139,*CC(*)OC(=O)C(C)(C)C(C)C(C)C,,0.37195961,,,
+1726139010,*CC(*)(C)C(=O)Oc1c(C)cccc1C,,0.35811982,,,
+1726144568,*Oc1ccc(Oc2ccc(C(=Nc3ccc(Oc4ccc(N=C(c5ccccc5)c5ccc(*)cc5)cc4)cc3)c3ccccc3)cc2)cc1,,0.38246465,,,
+1726627716,*Nc1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(C(*)=O)c2)c1,,0.3335926,,,
+1726926869,*Nc1ccc2c(c1)-c1cc(N*)ccc1C2C#CC1c2ccc(N)cc2-c2cc(N)ccc21,,0.38806577,,,
+1727053406,*Oc1cccc(Oc2ccc(-c3ccc(*)cc3)cc2)c1C#N,,0.37561604,,,
+1727549471,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)n4)cc3)cc1)C2=O,,0.35806566,,,
+1727851724,*CC(*)C(=O)Nc1ccccc1,,0.3388664,,,
+1727933263,*Oc1ccc(NC(=O)CCCCCCCCCC(=O)Nc2ccc(*)cc2)cc1,,0.349997,0.3745,1.073694962,27.22066116
+1727988738,*c1ccc(-c2nc3cc(-c4ccc5oc(*)nc5c4)ccc3o2)cc1,,0.43315781,,,
+1728252484,*CC(*)C(=O)OCCCCCCCCCCOc1cnc(-c2ccc(OC(=O)C3COC(C)(C)O3)cc2)nc1,,0.36105777,,,
+1728340477,*C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.35936373,,,
+1729263987,*CC(*)(C)C(=O)Oc1ccc(C(=O)O)cc1,,0.31218986,,,
+1729640187,*CCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(OC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2)cc1,,0.35751263,,,
+1729688245,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(Oc4ccc(O*)cc4)cc3)cc2)cc1,,0.34329551,,,
+1729742723,*CC(*)CCCCCCCC,,0.41042216,0.286,0.790932839,11.50351128
+1730077255,*Nc1ccc2cc3ccc(N*)cc3cc2c1,,0.34118592,,,
+1730293187,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CCCCCCCC,,0.36745632,,,
+1730621528,*CC(*)C(C)C,,,0.1868,0.75714125,12.12922155
+1731176824,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(C)(C)CCCCC(*)(C)C)cc5C4=O)cc3)cc1)C2=O,,0.37011178,,,
+1731224858,*CC(*)c1ccc(COCCCCO)cc1,,0.36446129,,,
+1731329584,*N=P(*)(OCCC)OCCC,,0.40352288,,,
+1731885131,*CC(*)c1ccc(COCCOCCCCCCCC)cc1,,0.38457352,0.282,0.931177736,11.54920484
+1732473081,*CC(CC(*)(C#N)C#N)c1ccc(OC(C)=O)cc1,,0.35920992,,,
+1732679124,*CCCCCCCCc1nnc(*)o1,-48.88416733,,0.324,,
+1733327889,*O*CCCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Oc3cccc(OC(=O)c4ccc(-c5ccc(OC(=O)CCCCCCCCC(*)CO*)cc5)cc4)c3[N+](=O)[O-])cc2)cc1,,0.38046147,,,
+1733763010,*Nc1ccccc1-c1ccccc1-c1cccc(-c2ccccc2-c2ccccc2)c1N*,,0.36434103,,,
+1734361691,*Cc1ccc(COC(=O)CCCCC(=O)O*)cc1,-4.158432897,,,,
+1734399308,*CCCCc1ccc(-c2c(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.39803512,,,
+1734532283,*C1(C)CC(*)(C)C(=O)N(C)C1=O,,0.35709749,,,
+1734712168,*C(c1ccc(N(C)C)cc1)C(*)c1ccc([N+](=O)[O-])cc1,,0.39669979,,,
+1734866978,*c1ccc2c(c1)C(=O)N(c1cccc(Oc3cccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)c3)c1)C2=O,,0.35680339,,,
+1735118252,*CCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)O*,,,0.297,,
+1736400792,*CCCCCCCCCCCCCCCC(=O)O*,,,0.3954,,
+1736906548,*Nc1cccc(C2(c3cccc(N*)c3CC=C)c3ccccc3-c3ccccc32)c1CC=C,,0.37562104,,,
+1737253601,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)C(c6ccccc6)=C(c6ccc(C7=C(c8ccccc8)C(=O)N(*)C7=O)cc6)C5=O)cc4)cc3)cc2)cc1,,0.38106993,,,
+1737477599,*Nc1ccc(-c2ccc(N*)c(-c3cccc4ccccc34)c2-c2ccccc2)cc1,,0.36849354,,,
+1737643625,*Nc1cccc(Cc2cccc3ccc(N*)cc23)c1,,0.34622731,,,
+1737989724,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(O)c(N4C(=O)c5ccc(*)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1O)C2=O,,0.36411476,,,
+1738001334,*OS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(*)c2)c1,29.19231194,,,,
+1738112244,*CC(C)(C)S*,,0.40403042,,,
+1738468386,*C(=O)Oc1ccc2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2c1,,0.35455535,,,
+1738776210,*CC(*)P(=O)(N(C)C)N(C)C,,0.37118508,,,
+1738997335,*CCN(CCCCOc1ccc(N=Nc2ccc(CCCCCC)cc2)cc1)CCOC(=O)c1ccc(C(=O)O)c(C(=O)Nc2ccc(C(C)(C)c3ccc(C(C)(C)c4ccc(NC(=O)c5ccc(C(=O)O*)cc5C(=O)O)cc4)cc3)cc2)c1,82.18427933,,,,
+1740193535,*Nc1cccc(NC(=O)CCCCC(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(C(=O)NC(*)=S)cc3)c2)c1,,0.33679836,,,
+1740911960,*Nc1cccc(-c2cc(-c3ccccc3)c(N*)c(-c3ccccc3)c2)c1,,0.3551194,,,
+1740942243,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3C(F)(F)F)c(C(F)(F)F)c1)C2=O,,0.4023531,,,
+1740967529,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(N=Nc3ccccc3)c3ccccc23)cc1,,0.35826257,,,
+1740996788,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6nc(-c7ccccc7)[nH]c6*)cc5)cc4)c3)cc2)cc1,,0.38321715,,,
+1741015152,*NCCCCCCCCN*,,0.33689515,,,
+1741494533,*Oc1ccc(Sc2ccc(Oc3ccc4c(=O)n5c6cc(-c7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.37801304,,,
+1741924076,*CCCC(=O)Nc1ccc(NC(=O)CCCN2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.32616598,,,
+1742146572,*Nc1ccc(CC(Cc2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.35372758,,,
+1742249499,*N=P(*)(Oc1ccc(F)cc1)Oc1ccc(F)cc1,,0.39101993,,,
+1742353769,*OC1CCCCC1*,,0.37752253,0.1694999999999999,0.931563064,14.6102827
+1742360510,*Nc1ccc2ccccc2c1-c1ccc(-c2c(N*)ccc3ccccc23)cc1,,0.35362502,,,
+1742360572,*CC(*)c1cccc(F)c1,,0.39194172,0.1623333333333333,,
+1743216271,*Oc1c([2H])c([2H])c(S(=O)(=O)c2c([2H])c([2H])c(Oc3c([2H])c([2H])c(C(c4c([2H])c([2H])c(*)c([2H])c4[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H],,0.37933974,,,
+1744491015,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(C4(c5ccc(O*)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1,,0.35752228,,,
+1744666695,*Nc1cc(N*)c2cc3ccccc3cc2c1,,0.34003705,,,
+1744915619,*c1ccccc1C(=O)Oc1ccc2c(*)c3ccc(=O)cc-3oc2c1,,0.35798941,,,
+1744939463,*CCN(Cc1ccccc1)C(=O)S*,,0.36007699,,,
+1744997791,*O[Si](*)(CCC)CCC,,0.42983858,,,
+1745103437,*c1ccc(Sc2ccc(-c3nc4ccc(-c5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)cc1,,0.43253891,,,
+1745290374,*CCOCCOCCOc1ccc(C=Cc2ccc(C=Cc3ccc(O*)c4ccccc34)cc2)c2ccccc12,,0.36046358,,,
+1745650366,*C=C(F)C(F)(F)C*,,0.35606714,,,
+1746336965,*c1cccc(S(=O)(=O)c2cccc(N3C(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.36342185,,,
+1746379826,*Oc1ccc(Oc2ccc(C=NCCCCCCCCCCCCN=Cc3ccc(*)cc3)cc2)cc1,,0.37925907,,,
+1746456403,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O)c1ccc(C(C#N)=C(C#N)C#N)cc1,,0.37808499,,,
+1747354606,*c1ccc(O)c(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1,,0.36863924,,,
+1747846009,*CCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,0.34961914,,,
+1748642050,*c1ccc(Oc2ccc(-c3cc(-c4ccccc4)c4cc(Oc5ccc6nc(*)c(-c7ccccc7)c(-c7ccccc7)c6c5)ccc4n3)cc2)cc1,,0.40987104,,,
+1748671851,*C(=C(*)c1ccc(CCCC)cc1)c1ccccc1,,0.42642935,,,
+1748848667,*c1cc(CC(=O)OCC)c(*)s1,,0.394744,,,
+1748879320,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)N(C)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.37706698,,,
+1749285601,*CC(*)C(=O)n1c2ccccc2c2ccccc21,,0.37111974,,,
+1749666987,*Nc1ccc(-c2ccc(-c3ccccc3N*)cc2)cc1,,0.343504,,,
+1749688285,*c1ccc2c(c1)-c1nc3cc(Oc4ccc5c(c4)nc4n5C(=O)c5cc(C(*)(C(F)(F)F)C(F)(F)F)ccc5-4)ccc3n1C2=O,395.15,,,,
+1750306188,*CC(*)C(=O)NCCCCCCCCCCCCCCCCCCCCCC,,,0.3665,,
+1750548820,*CC1(*)OCC(c2ccccc2)O1,,0.35076731,,,
+1751325850,*CC(*)C(=O)Oc1ccc(OC)cc1,,0.33742314,0.208,1.117366408,14.44836262
+1751332443,*c1cc(C(c2ccc(OCCN(C)c3ccc(C=CC4=CC(=C(C#N)C(=O)OC)CC(C)(C)C4)cc3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCCN(c1ccccc1)c1ccc(C=CC2=CC(=C(C#N)C(=O)OC)CC(C)(C)C2)cc1,,0.3775713,,,
+1751447126,*CCCCCCCCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.38003558,,,
+1751469406,*CC(F)(F)C(F)(F)C(F)(F)CN(CC)C(=O)CCCCC(=O)N(*)CC,10.59395774,,,,
+1751782566,*CCOCCOCCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.33474357,,,
+1751963173,*O[Si](C)(C)c1ccc([Si](C)(C)O[SiH](*)C)cc1,,0.43447128,,,
+1752199076,*Oc1ccc(C=Cc2cc(OCCCCCCCC)c(C=Cc3ccc(Oc4cc5c6c(ccc7c8c(*)cc9c%10c(ccc(c4c67)c%108)C(=O)N(CCCCCCCC)C9=O)C(=O)N(CCCCCCCC)C5=O)cc3)cc2OCCCCCCCC)cc1,,0.37287608,,,
+1752812344,*C(=O)c1cc(C(=O)c2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)cc(-c2ccccc2)c1,,0.36476789,,,
+1753150513,*OP(=O)(Oc1ccc(NC(=O)Oc2ccc(-c3ccc(OC(=O)Nc4ccc(*)cc4)cc3)cc2)cc1)c1ccccc1,,0.34568614,,,
+1753201911,*Oc1ccc(N(CC)c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3NC(=O)/C(C#N)=C/c3ccc(N(CC)c4ccc(*)cc4)cc3)cc2)cc1,,0.37635189,,,
+1753371685,*C(=Cc1cc(OC)c(C=C(c2ccc(*)cc2)c2ccc(C(F)(F)F)cc2)cc1OC)c1ccc(C(F)(F)F)cc1,,0.40216642,,,
+1753717945,*CC(*)OC(=O)c1cccc([Si](C)(C)C)c1,,0.39879763,,,
+1754228548,*CCN(CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O)c1ccc(C=CC2=CC(=C(C#N)C#N)CC(C)(C)C2)cc1,,0.37248481,,,
+1754638763,*c1ccc(-c2nc3ccccc3o2)c(*)c1,,0.40450546,,,
+1754839380,*CCCCCCOC(=O)C(CCCCP(=O)(OCC)OCC)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.35900925,,,
+1754909012,*Nc1ccc(C2(c3ccc(N*)cc3)c3cc(N)ccc3-c3ccc(N)cc32)cc1,,0.3802377249999999,,,
+1754987570,*OCCCCCCCCCCCOc1ccc2nc(-c3ccc(OCCCCCCCCCCCOC(=O)c4cc(C(*)=O)cc(C(*)=O)c4)cc3)sc2c1,,0.36316614,,,
+1754996829,*CC(CO*)(CS(=O)(=O)CCC)CS(=O)(=O)CCC,,0.38361184,,,
+1755097598,*Nc1ccc(CCC)c2c(N*)cccc12,,0.34473863,,,
+1755361106,*C(=O)Nc1ccc(Oc2cccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)cc3)C4=O)c2)cc1,,0.35225181,,,
+1755371243,*CCN(CCOC(=O)c1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(C(=O)O*)c1)c1ccc(C=Cc2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)OC3(c3ccccc3)C(F)(F)F)s2)cc1,,0.36152186,,,
+1755519343,*c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc(NC(=O)c7cccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)c7)cc6)cc5)cc4)cc3)c1)C2=O,,0.36111327,,,
+1755789541,*CCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.33616703,,,
+1755924093,*Nc1ccc2c(c1)-c1ccc(N*)cc1C21c2ccccc2-c2ccccc21,,0.38085413,,,
+1756335423,*Nc1ccc2cc3c(-c4ccccc4)c(N*)c(-c4ccccc4)cc3cc2c1,,0.36293464,,,
+1756666691,*CCNC(=O)c1ccc(C(=O)N*)c(Sc2ccccc2)c1,,0.34276192,,,
+1756941114,*OCC(F)(F)C(F)(F)C(F)(F)COc1nc(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(*)nc(F)c2F)c1F,,0.33124109,,,
+1757174370,*CCNC(=O)CCCCCCCCC(=O)N*,,,0.302,1.004989804,16.962466
+1757237275,*Cc1ccc(CSSSS*)cc1,,0.42976694,,,
+1757460664,*CCCN(*)C(C)=O,,0.34005308,,,
+1757862881,*CCCCCCOC(=O)C(CCCCCP(=O)(O)O)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.3498874,,,
+1758001941,*CCCP(=O)(CCCNC(=O)CCCCC(=O)N*)c1ccccc1,,0.34157753,,,
+1758192044,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=Nc4ccc(Oc5ccc(-c6ccc(Oc7ccc(N=Cc8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.3708493,,,
+1758920260,*CC(OCCCC)C1(C)C(=O)OC(=O)C1(*)C,,0.34511671,,,
+1759081904,*c1ccc(Oc2ccc(N3C(=O)C(C)C(SCCOCCSC4C(=O)N(c5ccc(Oc6ccc(N7C(=O)CC(C)(SCCOCCSC8(C)CC(=O)N(*)C8=O)C7=O)cc6)cc5)C(=O)C4C)C3=O)cc2)cc1,,0.34413754,,,
+1759526318,*CC(CCCCCCCCCC)C(CCCCCCCCCC)COC(=O)c1ccc(C(=O)O*)cc1,,0.37919414,,,
+1760524706,*c1sc(*)c(CCCCCCN(CC)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)c1CCCCCC,,0.38480348,,,
+1761132878,*CC(*)CN,,0.36970834,,,
+1761703329,*C=CC1CC(=CC)C(*)C1,,0.40651799,,,
+1762139545,*Nc1cc(C)c(N*)cc1C,,0.3453129649999999,,,
+1762883597,*Oc1ccc(C=CC(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(C)c4)cc3C)cc2)cc1,,0.39205535,,,
+1763751155,*CCOCCOCCOCCOCCOCCOC(=O)c1cccc(C(=O)O*)c1,,0.34081676,,,
+1763893927,*Nc1ccc(Cc2ccc(NC(=O)c3cc(C(*)=O)cc(N4C(=O)C=CC4=O)c3)cc2)cc1,,0.33700736,,,
+1764253172,*Nc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1N*,,0.34590052,,,
+1764580479,*C=Cc1ccc2c(c1)Sc1cc(-c3cc(CCCCCC)c(-c4sc(-c5ccc6c(c5)Sc5cc(*)ccc5N6c5ccc(OCCCCCCCCCCCC)cc5)cc4CCCCCC)s3)ccc1N2c1ccc(OCCCCCCCCCCCC)cc1,,0.39742745,,,
+1764654755,*CC(c1ccccc1)C1C(=O)N(c2ccc(C(C)(C)C)cc2)C(=O)C1*,,0.40001561,,,
+1765162399,*Nc1ccc(CCCc2ccc(N*)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)c(-c2ccc(C)cc2)c1-c1ccc(C)cc1,,0.38190375,,,
+1765350912,*CCOCCOC(=O)c1ccccc1C(=O)O*,,0.32806661,,,
+1765460904,*CC(=O)c1ccc(Oc2ccc(C(=O)COc3ccc(C=C4CCCC(=Cc5ccc(O*)c(OC)c5)C4=O)cc3OC)cc2)cc1,,0.35837048,,,
+1765837976,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Oc8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.3631463,,,
+1765927815,*CC(*)(C)C(=O)Oc1c(C(C)C)cccc1C(C)C,,0.3967853,,,
+1766008027,*Nc1c([2H])c([2H])c(*)c([2H])c1[2H],235.370823,,,,
+1766205762,*Nc1cc(NC(=O)c2cc(OCCN(C)c3ccc([N+](=O)[O-])cc3)cc(C(*)=O)c2)cc(C(=O)OC)c1,,0.33483978,,,
+1766427036,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7cc(C(C)(C)C)c(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7C(C)(C)C)cc6C5=O)cc4)cc3)cc2)cc1,,0.39240961,,,
+1768246998,*Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N*)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1,,0.3804246,,,
+1768426283,*c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3ccc(C(F)(F)F)cc3)c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.38899686,,,
+1769198640,*CC(*)(C)C(=O)OCCCCCCCC/C=C\CCCCCCCC,,0.38969165,,,
+1769217359,*N=P(*)(Oc1ccc(CC)cc1)Oc1ccc(CC)cc1,,0.40095438,,,
+1769343674,*Nc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N*)ccc1-2,,0.37169398,,,
+1769579666,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)cc1-c1ccccc1,,0.35976749,,,
+1769889494,*CC(C)(C)C1C(=O)N(c2c(CC)cccc2CC)C(=O)C1*,,0.36266864,,,
+1770296397,*Nc1ccc(C(C)(CC[C@](C)(c2ccc(N*)cc2)c2cccc(N)c2)c2ccc(N)cc2)cc1,,0.36112201,,,
+1770973625,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)Nc4ccc(-c5ccc(NC(=O)c6ccc(*)cc6)cc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.36219263,,,
+1771399222,*CCCCCOc1cccc(C(=O)OC(=O)c2cccc(O*)c2)c1,,0.3413806,,,
+1771648139,*C=CC(C(=O)OCc1ccccc1)C(*)C(=O)OCc1ccccc1,,0.35713258,,,
+1772221241,*c1ccc(-c2ccc(Oc3ccc(C4(C)CC(C)(C)c5ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc(C(C)(C)c%11ccc(Oc%12ccc%13c(c%12)C(=O)N(*)C%13=O)cc%11)cc%10)cc9C8=O)cc7)cc6C(F)(F)F)cc54)cc3)c(C(F)(F)F)c2)cc1,,0.37902457,,,
+1773311444,*CCN(CCOC(=O)Nc1cccc(NC(=O)O*)c1C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35215357,,,
+1773383580,*CCCCCCOc1ccc(-c2ccc(O*)c3ccccc23)c2ccccc12,,0.36384128,,,
+1773451274,*CC(*)c1cc(C(=O)Oc2ccc(OCCCCCCCCCCCCCCCC)cc2)ccc1C(=O)Oc1ccc(OCCCCCCCCCCCCCCCC)cc1,,0.38467794,,,
+1773543795,*CCN(*)C(=O)c1cccc(F)c1,,0.34841899,,,
+1773625763,*O[Si](C)(C)c1ccc2ccc3c([Si](*)(C)C)ccc4ccc1c2c43,,0.39894601,,,
+1773759171,*CC(*)C(=O)c1ccc(C(C)C)cc1,,0.39294141,,,
+1773982795,*CC(*)(C)C(=O)OCCCCCn1c2ccccc2c2ccccc21,,0.35157663,,,
+1774773315,*C1C=CC(*)C1,,,0.2784999999999999,0.939550686,18.92440401
+1775591199,*Oc1ccc(C(=O)c2ccc(C(=O)c3ccc(*)c(C(C)C)c3)cc2)cc1C,,0.39987425,,,
+1775887847,*OC(=O)Nc1ccc(C)c(NC(=O)OC2COC3C(*)COC23)c1,,0.33930504,,,
+1776137292,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5cnc6cc(-c7ccc8nc(*)cnc8c7)ccc6n5)cc4)cc3)cc2)cc1,,0.38383553,,,
+1776297302,*CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,,0.304,,
+1776629260,*O[Si](C)(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=C4CCCCC(=Cc5ccc(Oc6ccc(S(=O)(=O)c7ccc(OC(=O)CCCCCCCCC(=O)OC[Si](*)(C)C)cc7)cc6)cc5)C4=O)cc3)cc2)cc1,,0.36733579,,,
+1777009355,*NC1CCC(CCC2CCC(NC(=O)CCCCCCCCC(*)=O)CC2)CC1,,0.36490438,,,
+1777047790,*NSC1(N*)N=C(N)NC(N)=N1,,0.31058634,,,
+1777341480,*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(O)c3)cc1O)C2=O,,0.37314442,,,
+1777517337,*Nc1cc2c(cc(N*)c3c(-c4ccc(C=C)cc4)c(-c4ccc(C=C)cc4)c(-c4ccc(C=C)cc4)c(-c4ccc(C=C)cc4)c32)c2ccccc12,,0.37091967,,,
+1777622609,*CC(*)C(=O)OC(C)CC(C)C,11.47675289,,0.207,0.905312834,11.11375504
+1777831717,*Oc1ccc(C(=O)c2ccc(Oc3ccc4c(=O)n5c6cc(-c7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)cc2)cc1,,0.38178031,,,
+1777861386,*Nc1c(-c2ccccc2)cc(Cc2cc(-c3ccccc3)c(N*)c3ccccc23)c2ccccc12,,0.3626091,,,
+1778072997,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C5(*)OC(=O)c6ccccc65)cc4C)cc3)cc2)c(C)c1,,0.38660473,,,
+1778095789,*OC(=O)c1cccc(OCCCCCCCCOc2cccc(C(=O)OC3COC4C(*)COC34)c2)c1,,0.34800981,,,
+1778794604,*CC#CC(C#CCOC(=O)CCCCCCCCC(=O)O*)=Cc1ccc(C#Cc2ccc(C=C(C#Cc3ccccc3)C#Cc3ccccc3)cc2)cc1,,0.397984,,,
+1778806349,*OC(CCCCCC)CC(*)=O,,0.37673739,,,
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+1780262446,*N=P(*)(Oc1cccc(C)c1)Oc1cccc(C)c1,,0.3884914,,,
+1780443736,*Nc1ccc(-c2c(CC)ccc(N*)c2-c2ccccc2)cc1,,0.3658892,,,
+1781035787,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nnc(*)n5-c5cccc(C(F)(F)F)c5)cc4)cc3)cc2)cc1,,0.38422628,,,
+1781608309,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.35216726,,,
+1781915086,*CC(C)CNC(=O)O*,,0.33053408,,,
+1781926636,*CCCCCCOc1ccc(C=Cc2ccc(O*)cc2)cc1,,0.36660231,,,
+1782813918,*Nc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(Nc4ccc(C(O)(c5ccccc5)c5ccc(C(O)(c6ccccc6)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.39392951,,,
+1782970907,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)C6CCC(C7CCC8C(=O)N(*)C(=O)C8C7)CC6C5=O)cc4)cc3)cc2)cc1,,0.37853273,,,
+1783140001,*CCCC=C(*)c1ccc(Cl)cc1,,0.38684815,,,
+1783164838,*Oc1c(C)cc(-c2cc(C)c(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)c(CBr)c2)cc1CBr,,0.40843427,,,
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+1783262113,*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3cccc(C(*)=O)c3)c(C)c2)cc1C,,0.39532424,,,
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+1784137084,*CCCCCOC(=O)NCCCCCCNC(=O)O*,,0.33912475,,,
+1784177503,*Oc1cccc(OC(=O)Oc2ccc(OC(*)=O)cc2)c1,-104.3379932,,,,
+1784231547,*Oc1ccc(N=C(C)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(C(C)=Nc6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37958544,,,
+1784319633,*CC(*)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,,0.37551115,0.1635,0.949969923,9.767195327
+1785002432,*Nc1ccc(C(=O)c2ccc(Nc3ccc4c(c3)c3cc(*)ccc3n4CC(CC)CCCC)cc2)cc1,,0.38972953,,,
+1785099361,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3ccc(C(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc3)c1)C2=O,,0.36964109,,,
+1785446728,*Nc1ccc(Cc2ccc(C3(c4ccc(Cc5ccc(N*)cc5)cc4)C=C[C@@H](CCCC)CC3)cc2)cc1,,0.36309112,,,
+1785988282,*CCCCCCCCCCCCCCc1ccc(-c2c(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.40147903,,0.950245541,20.47027569
+1786011241,*CC(*)(C)C(=O)OCCCCCCCCCCCCCCC(=O)NC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,,0.32366656,,,
+1786063717,*CCC1C(=O)N(CCCCCCCCCCCCCCCC)C(=O)C1*,,0.3913188,,,
+1786072112,*Oc1ccc(C(C)(c2ccccc2)c2ccc(Oc3ccc(C(=O)C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.38132966,,,
+1786149230,*CCCCC[Si](*)(C)c1ccccc1,,0.38579865,,,
+1786272690,*Oc1ccc(NC(=O)c2ccc(C(c3ccc(C(=O)Nc4ccc(Oc5ccc(C6(c7ccc(*)cc7)C7CC8CC(C7)CC6C8)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.36728029,,,
+1787334599,*CCOC(=O)CCCCC(=O)OCCOC(=O)c1ccc(C(=O)O*)cc1,,0.32710546,,,
+1787342270,*Oc1cc(C(=O)c2ccccc2)c(Oc2ccc(*)cc2)cc1C(=O)c1ccccc1,,0.37661047,,,
+1787772171,*CC(*)CCCCCCCCCCCCCC,,0.40318632,0.3409999999999999,0.795879987,11.75279889
+1788116403,*Oc1ccc(-c2ccc(OC(=O)c3cc(OCCCCCC)c(C(*)=O)cc3OCCCCCC)cc2)cc1,,0.3630012,,,
+1788310964,*Oc1cc(CCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.36594345,,,
+1788326945,*CC(*)(C)C(=O)OCc1ccc(F)cc1F,,0.3435113,,,
+1788446474,*OC(=O)c1cccc(C(=O)Oc2ccc3c(c2)Oc2cc(*)ccc2C32OC(=O)c3ccccc32)c1,,0.35989808,,,
+1788777860,*Nc1cccc(CCc2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)c1,,0.35224446,,,
+1788955118,*Oc1ccc(C(c2ccc(Oc3c(F)c(F)c(COC(c4cccc(C(OCc5c(F)c(F)c(*)c(F)c5F)(C(F)(F)F)C(F)(F)F)c4)(C(F)(F)F)C(F)(F)F)c(F)c3F)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.34613414,,,
+1789314864,*O[Si](*)(CCCOCCOCCOCCOCCOCCOCCOC)CCCOCCOCCOCCOCCOCCOCCOC,,0.36320309,,,
+1789414981,*CCC1C(=O)N(CC)C(=O)C1*,,0.33175789,,,
+1789644215,*Nc1ccc([C@@H](CCCC)c2ccc(C3(c4ccc([C@H](CCCC)c5ccc(N*)cc5)cc4)CCC(CCCCC)CC3)cc2)cc1,,0.37086553,,,
+1789925675,*CC(*)(C)C(=O)OCCCCCCCCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.35770288,,,
+1790048084,*CCCCCCCCCCOCCCCCCOCCCCCCO*,,,0.36175,0.880404561,21.78044662
+1790316910,*Nc1ccc(Oc2ccccc2)cc1N*,,0.33227989,,,
+1790362530,*OC(=O)OCCOCCOCCOC(=O)OC1COC2C(*)COC12,,0.32153252,,,
+1790709868,*Nc1ccc([C@H](CC)c2ccc(CCc3ccc([C@@H](CC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36308628,,,
+1791119608,*C(=O)N(*)CCCCCCCCCCCCCCCCCC,,,0.408,0.861970531,12.57201307
+1791310539,*c1ccc(OCCCCCCCCCCOc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.35237938,,,
+1791321384,*Nc1ccc([C@]2(c3ccccc3C)C=C[C@](N*)(c3ccccc3)C=C2)cc1,,0.35212894,,,
+1791454945,*Oc1c(-c2ccccc2)cc(*)cc1-c1cccc2ccccc12,,0.39947909,,,
+1791486137,*CCCCCCOC(=O)CC(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.35211181,,,
+1791802492,*CCN(*)C(=O)c1c(F)c(F)cc(F)c1F,,0.34317631,,,
+1792328384,*O[Si](C)(C)O[Si](C)(C)O[Si](*)(C)c1c(F)c(F)c(Cl)c(F)c1F,,0.40365353,,,
+1792336093,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C#Cc1ccc(C#C[Si](*)(C)C)cc1,,0.46291081,,,
+1792419504,*NC1CCC(N*)CC1,,0.335675645,,,
+1792717166,*CCC1CC(*)C2C3CC(C)C(C3)C12,,0.38823486,,,
+1792997917,*OC(CC(*)=O)C(Cl)(Cl)Cl,,0.34337601,,,
+1793024081,*CC(OC)C(C)(C(=O)OC)C(*)(C)C(=O)OC,,0.34091912,,,
+1793643312,*CCOC(=O)CCC(=O)OCCOC(=O)c1ccc(C(=O)O*)cc1,,0.32181742,,,
+1793714873,*O[Si](C)(CCC(F)(F)F)CCC(F)(F)CC[Si](*)(C)CCC(F)(F)F,,0.39640664,,,
+1794681107,*C1C(*)C2CC1C(C(=O)OCc1ccccc1)C2C(=O)OCc1ccccc1,,0.34460081,,,
+1794683515,*C(=O)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.37594298,,,
+1795125893,*CCCCCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34164586,,,
+1795185770,*Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N*)c(-c3cccc4ccccc34)c2-c2cccc3ccccc23)cc1,,0.3785304,,,
+1795208457,*CC/C=C(/*)C(C)C,,,0.21,,
+1795274975,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Sc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37750321,,,
+1795499344,*c1ccc(-c2ccc(-c3cc(-c4ccccc4)c4cc(C5(c6ccc7nc(*)cc(-c8ccccc8)c7c6)c6ccccc6C(=O)c6ccccc65)ccc4n3)cc2)cc1,,0.42706611,,,
+1795625722,*CC(*)c1ccc(C(=O)CCCCC)cc1,,0.38254246,,,
+1795760270,*CC(*)CCC,,,0.2463333333333333,,12.33123131
+1796091822,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4cccc5c(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cccc45)cc2)C3=O)c1,,0.35671803,,,
+1796177259,*c1ccc(C2(c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.43011281,,,
+1796439360,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36845813,,,
+1796856353,*CC(*)(C)C(=O)OC(C)C(F)(F)F,,,0.1139999999999999,1.11386163,13.75326334
+1796975944,*Nc1ccc(NC(=O)c2cc(-c3ccc(C(=O)OCC)c(C(*)=O)c3)ccc2C(=O)OCC)cc1,,0.34355176,,,
+1797111879,*Oc1c(C)cc(C2(c3cc(C)c(OC(=O)c4cccc(C(*)=O)c4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.40660507,,,
+1797127681,*CC(*)(C)C(=O)OCCCCCCN(C)c1ccc(N=Nc2ccc(S(C)(=O)=O)cc2)cc1,,0.37549174,,,
+1797412842,*CCN(*)C(=O)CC12CC3CC(CC(C3)C1)C2,,0.35920026,,,
+1797791168,*CCC(=O)NCc1cc(C)c(CNC(=O)CCO*)cc1C,,0.32886329,,,
+1797950227,*c1ccc(Oc2c(C)cc(C(c3cccnc3)c3cc(C)c(Oc4ccc(N5C(=O)CC(Nc6ccc(Cc7ccc(NC8CC(=O)N(*)C8=O)cc7)cc6)C5=O)cc4)c(C)c3)cc2C)cc1,,0.38103363,,,
+1798703824,*C(=O)Nc1ccc(N2C(=O)CC(N3C(=O)c4ccc(*)cc4C3=O)C2=O)cc1,,0.34885907,,,
+1798783963,*c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc1)C2=O,,0.37947284,,,
+1798943055,*CC/C=C(/*)CCCCCCCCCC,,,,0.81139035,13.05800565
+1799071483,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(Oc2ccc([Si](*)(C)C)cc2)cc1,,0.41859746,,,
+1799254140,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3C)CC3CC2C2C4CCC(C4)C32)cc1C,,0.39110607,,,
+1799502171,*C#CC(CCCCOC(=O)NCCCCCC)=C(*)CCCCOC(=O)NCCCCCC,5.219913288,,,,
+1799759378,*CCCCCCS(=O)(=O)c1ccc(N=Nc2ccc(N(C)CCCCCC(=O)O*)cc2)cc1,,0.37402313,,,
+1800029719,*Nc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N*)ccc1-2,,0.37700036,,,
+1800644931,*Oc1c(C)cc(-c2cc(C)c(OC(=O)CCCCCC(*)=O)c(C)c2)cc1C,,0.36806189,,,
+1801218015,*CCOCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,0.33440308,,,
+1801224003,*CCCC(C)CNC(=O)c1ccc(C(=O)N*)cc1,,0.33451946,,,
+1801465428,*OC(=O)c1cccc(OCCCCCCOc2cccc(C(=O)OC3COC4C(*)COC34)c2)c1,,0.34442932,,,
+1801821900,*C=C(C#N)C(=O)OCCCCCCCCCCOC(=O)C(C#N)=Cc1ccc2c(c1)c1cc(*)ccc1n2CCCCCCC,,0.37650468,,,
+1801990211,*Nc1ccc(-c2ccc3c(c2)C(C)(C)C[C@@]3(C)c2ccc(N*)cc2)cc1,,0.36588438,,,
+1802780820,*c1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37532506,,,
+1802973320,*C=CC1CC(*)C2C(=O)N(CCCCC)C(=O)C12,,0.36388882,,,
+1803088964,*Nc1ccc2c(c1)-c1ccc(N*)cc1C21c2cc(N)ccc2-c2ccc(N)cc21,,0.38509104,,,
+1804539920,*c1ccc(Sc2cc3c(cc2Sc2ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc2)C(=O)N(c2ccc(CC)cc2)C3=O)cc1,,0.38009761,,,
+1804622774,*Oc1c(C)cc(C(C)(C)c2cc(C)c(ON3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)CCC(C(C)(C)C)CC6)cc5)cc4C3=O)c(C)c2)cc1C,,0.38578028,,,
+1804735174,*c1cc(OC)c(*)cc1OC,63.90036252,,,,
+1804758935,*Cc1cc2cc(C(=O)Nc3cccc(NC(=O)c4cc5cc(*)c(OC(=O)COc6ccc7ccc(=O)oc7c6)cc5oc4=O)c3)c(=O)oc2cc1OC(=O)COc1ccc2ccc(=O)oc2c1,,0.32001904,,,
+1804814245,*CC(*)CC(CC)CC,,,0.219,,
+1804819295,*CC(*)(C)C(=O)Oc1ccc(C(=O)Oc2ccccc2)cc1,,0.34588936,,,
+1804829075,*CCCCCCCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34124833,,,
+1804836030,*C(=O)Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(C9(c%10ccc(Oc%11ccc(N%12C(=O)c%13ccc(*)cc%13C%12=O)cc%11)cc%10)NC(=O)c%10ccccc%109)cc8)cc6)C7=O)cc5)cc4)NC(=O)c4ccccc43)cc2)cc1,,0.37607232,,,
+1805818890,*Nc1ccc(C(=O)c2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.34499015,,,
+1805828893,*/C=C/c1cc(OCCCCCCCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1OCCCCCCCCCCCCCCCC,,,0.3329999999999999,0.88205721,15.92222857
+1806252045,*COc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,0.33358286,,,
+1806255411,*CCCCCCCCOc1ccc(C=C2CCC(=Cc3ccc(OCCCCCCCCOP(=O)(O*)OC)c(OC)c3)C2=O)cc1OC,,0.36012749,,,
+1806416444,*Nc1ccc(-c2ccc(-c3ccc(N*)cc3)c(C(C)(C)C)c2)cc1,,0.36296603,,,
+1806691588,*Nc1cc(N*)c(/N=N/c2ccc(S(=O)(=O)O)cc2)c(N)c1C,,0.34174753,,,
+1806857427,*CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCC(=O)N*)cc1,65.25488595,,,,
+1806961099,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.41433043,,,
+1807042238,*CCCCCC(=O)Oc1ccc(-c2ccc(OC(=O)CCCCCn3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1,60.41501019,,,,
+1807156052,*CCC[Si](*)(C[Si](C)(C)c1ccccc1)C[Si](C)(C)c1ccccc1,,0.37926161,,,
+1807233855,*CCCCCCCCCCCOC(=O)c1cc(OCCCCCCCCCCOc2ccc(N=Nc3ccc(OC)cc3)cc2)cc(C(=O)OCCCCCCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c1,,0.36806216,,,
+1807732967,*CCCCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCCCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.33700629,,,
+1808141855,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.35396317,,,
+1808438148,*C(*)C(=O)OC(C)C,,0.38104788,,,
+1808604040,*Oc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(*)cc3)c2)c1,,0.34287767,,,
+1808750963,*N=P(N=P(N=S(*)(=O)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC,,0.3991644,,,
+1808991863,*CC(*)(Cl)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1,,0.35349732,,,
+1809093717,*CCP(Cl)(Cl)=Nc1ccc(N=P(*)(Cl)Cl)cc1,-27.34500252,,,,
+1809334970,*CC(*)(C)C(=O)OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.34226697,,,
+1809372811,*c1ccc2oc(-c3ccc(C(c4ccccc4)(c4ccc(-c5nc6cc(C(*)(c7ccccc7)C(F)(F)F)ccc6o5)cc4)C(F)(F)F)cc3)nc2c1,,0.43791406,,,
+1809467126,*/C=C/c1ccc(Oc2ccc(-c3ccc(-c4ccc(-c5ccc(Oc6ccc(/C=C/c7ccc8c(c7)c7cc(*)ccc7n8CC(CC)CCCC)cc6)c(C(F)(F)F)c5)cc4)cc3)cc2C(F)(F)F)cc1,187.4626146,,,,
+1809480718,*C(C)=C(*)[Si](C)(C)CC,157.1009863,,,,
+1809618585,*/C=C/c1cc(OCCCCCCCCCCCC)c(*)cc1OC,,,0.251,0.902248035,20.35612021
+1809672801,*CCCCCCCCCNC(=O)CCCCCCCCCCCC(=O)N*,,,0.348,,
+1809695642,*CCN(CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O)c1ccc(N=Nc2ccc(C3OCCO3)cc2)cc1,,0.35607146,,,
+1809858457,*Nc1cc(Cl)c(N*)cc1Cl,,0.34205564,,,
+1809876113,*NC(CCC(=O)OCCCCCC)C(*)=O,,0.3561514,,,
+1810490415,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCC(C)CC(*)=O)cc2)C(=O)OC)cc1,,0.33698176,,,
+1810774375,*Nc1ccc(-c2ccc(N*)c(-c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(C)(C)C)cc2)cc1,,0.37953942,,,
+1810979250,*C=Cc1cc(OC)c(C=Cc2ccc(C=C(Oc3ccccc3)c3ccc(C(=Cc4ccc(*)cc4)c4ccc(Oc5ccccc5)cc4)cc3)cc2)cc1OC,,0.37691892,,,
+1811086141,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)NCCCCCCNC(=O)O*,,0.32095446,,,
+1811300122,*OC(C)COC(=O)c1cccc(C(*)=O)c1,,0.34359034,,,
+1811542913,*Oc1ccc(C(=O)c2ccc(C(=O)c3ccc(Oc4ccc(Cc5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.3772016,,,
+1812532838,*CCCCCOC(=O)OCCCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(*)C4=O)cc2C1=O,,0.33554608,,,
+1812564153,*Nc1ccc(CC(C)(C)c2ccc(N)c(C[C@@](C)(CC)c3ccc(N*)cc3)c2)cc1,,0.35226185,,,
+1812700910,*CC(*)c1ccc(C(C)(O)CCCCC)cc1,,0.39339807,,,
+1813031373,*OC(COCC)COC(*)=O,,0.34611534,,,
+1813310957,*c1ccc(C(=O)c2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4C3=O)cc2)cc1,,0.36363712,,,
+1813912008,*OC(COC(=O)c1c(F)c(F)c(-c2c(F)c(F)c(C(*)=O)c(F)c2F)c(F)c1F)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35000272,,,
+1813959998,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)CC(=O)N(*)C5=S)cc4)cc3)cc2)cc1,,0.37421708,,,
+1814261052,*CCC(=O)N*,,0.28900346,,,
+1814313694,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.33911271,,,
+1814513311,*CC(*)(C)C(=O)OCc1ccccc1,,0.34737998,0.1755,1.051885651,12.3992761
+1814521184,*CC(*)(C)C(=O)OCCO[N+](=O)[O-],,0.49559463,,,
+1814522046,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(CCCC)c2)cc1CCCC,,0.39067771,,,
+1814526307,*c1ccc(Oc2ccc(N3C(=O)c4cccc(Oc5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)c4C3=O)cc2)cc1,,0.36618707,,,
+1814705967,*CCCC1(C)CCN(C(=O)CCC(=O)N2CCC(*)(C)CC2)CC1,,0.34856982,,,
+1814831585,*Nc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1N*,,0.36099506,,,
+1814888987,*CCN(*)C(=O)c1cc(F)ccc1F,,0.34543558,,,
+1815199784,*Oc1ccc(C2(c3ccc(OC(=O)CCC(*)=O)cc3)c3cc(OC)ccc3-c3ccc([N+](=O)[O-])cc32)cc1,,0.36261779,,,
+1815220094,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)c([N-][N+]#N)c1,196.3053138,,,,
+1815368241,*NCCCNCCCCNCCCN*,,0.34373829,,,
+1815372590,*NC1CCC(CCC2CCC(NC(=O)CCCCCCCCCCC(*)=O)CC2)CC1,,0.36845122,,,
+1815391317,*c1ccc(C2(c3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(*)cc(-c8ccccc8)c7c6)ccc5n4)cc3)c3ccccc3C(=O)c3ccccc32)cc1,,0.46820776,,,
+1815514979,*Nc1ccc(C2(c3cc(CC)c(N*)c(CC)c3)c3ccccc3-c3ccccc32)cc1C,,0.38779866,,,
+1815907027,*OP(=O)(Oc1ccccc1)Oc1ccc(C(C)(C)c2ccc(*)cc2)cc1,,0.35305401,,,
+1816427508,*C(C#N)=Cc1cc(OCCCCCCCCCCCC)c(C=C(C#N)c2cc(OCCCCCCCCCCCC)c(*)cc2OC)cc1OC,,0.39567001,,,
+1816536666,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C5(*)NC(=O)c6ccccc65)cc4)cc3)cc2)cc1,,0.37763456,,,
+1816744100,*c1ccc(Sc2cc3c(cc2Sc2ccc(N4C(=O)C5C6C=CC(C7C(=O)N(*)C(=O)C67)C5C4=O)cc2)C(=O)N(CCN(C)C)C3=O)cc1,,0.3795624,,,
+1817213256,*Nc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1N*,,0.34461865,,,
+1817586753,*CCCCCCCCCNC(=O)c1ccc(C(=O)N*)cc1,,0.34919746,,,
+1817646491,*CC(OO*)c1ccc(Br)cc1,,0.38242794,,,
+1817835124,*OC(F)(F)C(*)(F)F,,0.30466987,,,
+1818051082,*Nc1ccc(Cc2cc(Cc3ccc(N*)c(Cc4ccc(N)cc4)c3)ccc2N)cc1,,0.35357307,,,
+1818615314,*CC1CCC(CNC(=O)CCCCC(=O)N*)CC1,,0.33681395,,,
+1818810158,*CCCCCCCCOc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(O*)c3)cc2)c1,,0.34707685,,,
+1819092687,*Oc1ccc(NC(=O)NCCCCCCNC(*)=O)cc1,122.4088725,,,,
+1819263382,*c1ccc(OC(=O)c2cc(C(=O)Oc3ccc(C4(*)OC(=O)c5ccccc54)cc3)cc(C(C)(C)C)c2)cc1,,0.37066817,,,
+1819602456,*O[Si](C)(C)CCCC(=O)Oc1ccc(C=Nc2ccc(N=Cc3ccc(OC(=O)CCC[Si](*)(C)C)cc3)cc2)cc1,,0.38440001,,,
+1820587217,*Oc1ccc(NC(=O)c2ccc3cc(C(=O)Nc4ccc(Oc5ccc(C6(c7ccc(*)cc7)CC7CCC6C7)cc5)cc4)ccc3c2)cc1,,0.37134443,,,
+1820695762,*c1cccc(OCCCCCCCCCCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.35443636,,,
+1820800881,*Nc1ccc(C2(c3ccc(N*)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C,,0.39538255,,,
+1820965288,*CC(O)COc1ccc(S(=O)(=O)c2ccc(O*)cc2)cc1,,0.34218345,,,
+1821594642,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(C(C)(C)c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6)cc5C4=O)cc3)c2)cc1,,0.36408469,,,
+1821776890,*Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(Cc4ccc(*)c(C=O)c4)cc3C=O)c(F)c2F)c(F)c1F,,0.35996186,,,
+1822483719,*CCCCCNC(=O)CCCCCCCCCCCC(=O)N*,,,0.3545,0.943380242,21.69094086
+1822664278,*CC(*)c1ccc(O)c(OC)c1,,0.34066185,,1.031531368,14.62592281
+1823153942,*C(=O)Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(NC(=O)Nc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.33714284,,,
+1823366229,*Oc1ccc(C(C)(CC)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,194.1629808,,,,
+1823476334,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(OCCCCCCCCCCCCCCCC)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.37139047,,,
+1823522189,*N=P(N=P(N=S(*)(=O)NCCCCCC)(NCCCCCC)NCCCCCC)(NCCCCCC)NCCCCCC,,0.40482375,,,
+1823535687,*CCCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.34954591,,,
+1824329781,*Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37378543,,,
+1824700293,*CC(*)C(=O)OCCCCCCCCCCCCCCCCCC,,0.40921422,0.3795,0.864259855,13.46584828
+1824932578,*Nc1ccc(C(C)(CCc2ccccc2)c2ccc(N*)cc2)cc1,,0.35015139,,,
+1825472814,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(N5C(=O)c6ccc(*)cc6C5=O)cc3)C4=O)cc2)cc1,,0.36202552,,,
+1826128756,*CC(*)OC(=O)CCCCCCCCCCCCCCCCC,,,0.305,0.856119988,12.48057398
+1826423349,*c1ccc(-c2ccc(-c3ccc(C(*)(CC)C(F)(F)F)cc3)cc2)cc1,,,0.236,0.989585625,22.38019563
+1826581063,*Nc1cccc(/C=C2\c3ccccc3-c3ccc(N*)cc32)c1,,0.352832805,,,
+1826810455,*Nc1cccc2c(C)c3c(N*)cccc3c(C)c12,,0.33227337,,,
+1827057509,*CCCOCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.3420761,,,
+1827233180,*CCCCCCNC(=O)CCCCCCCC1C(CCCCCCCC(=O)N*)C=CC(CCCCCC)C1CCCCCCCC,,0.38088319,,,
+1827383703,*Nc1ccc(C(c2ccc(NC(=O)c3ccc(-c4ccc(C(*)=O)c(C)c4)cc3C)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.36225344,,,
+1827805083,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc6c(N7C(=O)c8ccc(*)cc8C7=O)cccc56)cc3)C4=O)cc2)cc1,,0.35708671,,,
+1828252932,*Cc1ccccc1[Si](*)(c1ccccc1)c1ccccc1,,0.39224938,,,
+1828453397,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)c4ccc(*)cc4C3=O)cc1)C2=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,145.3751112,,,,
+1828496288,*c1ccc(C(=O)NC(CC)COC(=O)c2ccc(N3C(=O)CC(SCCCCCSC4CC(=O)N(*)C4=O)C3=O)cc2)cc1,,0.34187681,,,
+1828551601,*OC1C(CO)OC(*)C(O)C1O,,0.29046872,,,
+1828668618,*CCC(c1ccccc1)C(*)c1ccccc1,,0.40418065,,,
+1828961126,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=C4CCCC(=Cc5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(C(C)(C)c9ccc(*)cc9)cc8)cc7)cc6)cc5)C4=O)cc3)cc2)cc1,,0.37671926,,,
+1828973221,*c1cccc(P(=O)(c2ccccc2)c2cccc(N3C(=O)c4ccc(NC(=O)OCCOc5ccc(P(=O)(c6ccccc6)c6ccc(OCCOC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c2)c1,,0.35364817,,,
+1828977072,*C(=O)c1ccc(N(*)CCCCC)cc1,,0.38487639,,,
+1829411915,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)c3cc(OC)ccc3-c3ccc([N+](=O)[O-])cc32)cc1,,0.37589479,,,
+1829654817,*Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5cccc(Cc6cccc(*)c6)c5)cc4)cc3)cc2)cc1,,0.3678457,,,
+1830100599,*c1ccc(Oc2ccc(N3C(=O)C(Cl)=C(Oc4ccc(C(C)(C)c5ccc(OC6=C(Cl)C(=O)N(*)C6=O)cc5)cc4)C3=O)cc2)cc1,,0.36630147,,,
+1830469159,*CCN(*)C(=O)c1c(F)ccc(F)c1F,,0.34269166,,,
+1830893860,*CCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,,,0.346,0.906553684,23.16076788
+1831743927,*C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(S(=O)(=O)c6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc4)C5=O)cc3)cc2)cc1,,0.35854864,,,
+1832371636,*Oc1ccc(OC(=O)c2ccc(-c3ccc(C(*)=O)cc3)cc2-c2ccccc2)cc1C(C)(C)c1ccccc1,,0.37013826,,,
+1832963659,*Nc1ccc(-c2ccc(N*)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.36015628,,,
+1832968600,*CC(*)(C)C(=O)OCCCCCCCCCCCCCCCC[n+]1ccc(N(C)C)cc1,,0.37909157,,,
+1833216472,*Oc1ccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(-c5ccc(Oc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,165.0428244,,,,
+1834039585,*CCCCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.33870557,,,
+1834169078,*C1C(*)C2CC1C(C(=O)OCC13CC4CC(CC(C4)C1)C3)C2C(=O)OCC12CC3CC(CC(C3)C1)C2,,0.37365813,,,
+1834440826,*CCN(*)C(=O)c1ccc(F)c(F)c1,,0.34216811,,,
+1834775911,*Nc1ccc2c(c1)[C@@H]1c3ccccc3[C@H]2c2cc(N*)ccc21,,0.38083739,,,
+1835012454,*CC(*)(CCCCCCCC)C(=O)OC,,0.38929213,,,
+1835122928,*CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O*)cc3)cc2)cc1,,0.34589389,,,
+1835485471,*c1ccc(C(c2ccc(N3C(=O)c4cc(-c5ccc([Si](C)(C)C)cc5)c(-c5cc6c(cc5-c5ccc([Si](C)(C)C)cc5)C(=O)N(*)C6=O)cc4C3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.43114374,,,
+1835490672,*OC(CC)C(*)=O,,0.35896412,,,
+1835545898,*CCc1ccc(*)c2cccnc12,70.93028064,,,,
+1835793920,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6)cc5)cc3)C4=O)cc2)cc1,,0.35981052,,,
+1836092833,*CC(O)COc1c(C)cc(C(C)(C)c2cc(C)c(OCC(O)COc3ccc(S(=O)(=O)c4ccc(O*)cc4)cc3)c(C)c2)cc1C,,0.36142782,,,
+1836401630,*c1ccc(-c2ccc(-c3ccc4nc(Oc5cc(-c6ccccc6)c6cc(*)ccc6n5)cc(-c5ccccc5)c4c3)cc2)cc1,,0.39257783,,,
+1836411379,*c1cc(SCCCCCC)c(*)s1,,0.43728421,,,
+1836445960,*Nc1ccc(C2(c3ccc(N*)c(Cl)c3)c3ccccc3-c3ccccc32)cc1Cl,,0.37468924,,,
+1837157915,*OC(=O)c1cccc(OCCCCCCCCCCOc2cccc(C(=O)OC3COC4C(*)COC34)c2)c1,,0.34799982,,,
+1837160865,*OC(=O)CCCCCCCC(*)=O,-68.69432556,,,,
+1837451686,*Cc1ccc(C(C)(C)c2ccc(CN3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)o2)o1,,0.35635169,,,
+1837536238,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CC,,0.3554716,,,
+1837695049,*C(=O)N1C(=S)N(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)C(C)=C(C(=O)OCC)C1c1ccccc1,,0.3735679,,,
+1837695884,*Nc1ccc(Cc2ccc(CC(CCCCCCC)Cc3ccc(Cc4ccc(N*)cc4)cc3)cc2)cc1,,0.35965572,,,
+1837801743,*Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(C(*)=O)cc4)cc3)cc2)cc1C,81.15934241,,,,
+1838148916,*NC(CCC(=O)OCCCCCCCCCCCC)C(*)=O,30.09586697,,,,
+1838224579,*CCCC(O)CN(CCCC)c1ccc(C#Cc2ccc(S(*)(=O)=O)cc2)cc1,,0.38948294,,,
+1838851947,*NC1=N[C@@H](O)NC(N*)=C1N,,0.2862332,,,
+1839284190,*Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC4COC5C(*)COC45)cc3)c2)cc1,,0.34004989,,,
+1839465675,*Nc1ccc([C@]2(C)CC(C)(C)c3ccc(N*)cc32)cc1,,0.36097818,,,
+1839521966,*CCOC(=O)NCCCCCCNC(=O)OCCOc1ccc(C2(c3ccc(O*)cc3)c3ccccc3-c3ccccc32)cc1,,0.34888968,,,
+1840288311,*/C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(OC)cc2)c1,,,0.308,0.925658948,17.48157569
+1840821848,*CC(*)c1ccc(COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.35405781,,,
+1841717328,*c1ccc(Cc2ccc(N3C(=O)C4CCC5C(=O)N(*)C(=O)C5C4C3=O)cc2)cc1,,0.37944453,,,
+1841939316,*N[C@@H](C[C@@H](N*)[C@H](O)C[C@H](N)C(=O)O)C(=O)O,,0.28753507,,,
+1841990330,*NC1=CC[C@](c2ccc(N*)cc2)(c2cccc3ccccc23)C=C1,,0.3503374,,,
+1842093316,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3cccc(Oc4cccc(C(*)=O)c4)c3)cc2)cc1,,0.3604747,,,
+1842577004,*C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(C7(c8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8)NC(=O)c8ccccc87)cc6)cc4)C5=O)cc3)c2)cc1,,0.36654721,,,
+1842579493,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC(C)(C)COc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.35788134,,,
+1842592587,*O[Si](*)(CCCOCCOCCOCCOCCOCCOCCOCCOC)CCCOCCOCCOCCOCCOCCOCCOCCOC,,0.36679143,,,
+1842699132,*Nc1ccc(C(c2ccc(NC(=O)c3ccc4cc(C(*)=O)ccc4c3)cc2)(P2(=O)Oc3ccccc3-c3ccccc32)P2(=O)Oc3ccccc3-c3ccccc32)cc1,,0.36261641,,,
+1843486758,*CC(*)OC(=O)C(F)(F)C(F)(F)F,,0.31968743,,,
+1844365452,*CCNC(=O)c1cccc(C(=O)NCCOc2cccc3c(O*)cccc23)c1,,0.33080425,,,
+1844848960,*Oc1ccc(Nc2ccc(N=Nc3ccc(Nc4ccc(*)cc4)cc3)cc2)cc1,,0.39236421,,,
+1844857669,*Oc1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1cc(Oc3ccc(-c4c5ccccc5c(-c5ccc(*)cc5)c5ccc(CCC)cc45)cc3)ccc1-2,187.3941077,,,,
+1845417873,*c1cccc(P(C)(=O)c2cccc(N3C(=O)c4ccc(NC(=O)OCCOc5c(Br)cc(C(C)(C)c6cc(Br)c(OCCOC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)c(Br)c6)cc5Br)cc4C3=O)c2)c1,,0.37581743,,,
+1845492886,*CC(*)(C)C(=O)OCCCCCCN1CCN(c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)cc2)CC1,,0.36331592,,,
+1845526826,*OC(c1ccccc1)C(C)(C)C(*)=O,65.42132156,,,,
+1845530087,*CC(O)COc1ccc(S(=O)(=O)c2ccc(OCC(O)COc3cccc(O*)c3)cc2)cc1,,0.33700601,,,
+1846095810,*CC(*)(C)C(=O)OCCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.34387832,,,
+1846410609,*OC(=O)c1ccc(SCCCCSc2ccc(C(*)=O)cc2)cc1,,0.36348377,,,
+1846941939,*Oc1cccc(Oc2ccc(S(=O)(=O)c3ccc(*)cc3)cc2)c1,,0.3644213,,,
+1847001719,*CC(OCCCC)C(C)(C(=O)OC)C(*)(C)C(=O)OC,,0.36338101,,,
+1847105802,*CC(*)(CC(=O)Oc1ccccc1)C(=O)Oc1ccccc1,,0.34963263,0.154,1.099880838,11.69552442
+1847970143,*CC(=O)NC(C)C(=O)O*,,0.30707299,,,
+1848016305,*c1ccc2oc(-c3ccc(C(c4ccc(-c5nc6cc(C(*)(C(F)(F)F)C(F)(F)F)ccc6o5)cc4)(C(F)(F)F)C(F)(F)F)cc3)nc2c1,,0.42121884,,,
+1848203526,*c1cc(C(=O)NCCCCCCCCCC)cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.36805739,,,
+1848234898,*CC(*)c1ccc(COCCCCCCOc2ccc(-c3ccc(OC)cc3)cc2)cc1,,,0.3,1.040782353,13.64379867
+1848433590,*CCC[Si](*)(C)CCC[Si](C)(C)C,,0.41861838,,,
+1848774287,*CCC=C(*)C(C)(C)C,,0.39811867,,,
+1849021129,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(P(=O)(c5ccccc5)c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.38280626,,,
+1849183324,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3c(CC)cccc32)cc1,,0.37018602,,,
+1849374402,*Oc1cc(Br)cc(Br)c1*,,0.446758,,,
+1849381724,*CC(*)OCCC,-17.16506937,,,,
+1849606830,*CCCCCC(c1ccc(O)cc1)C(*)c1ccc(O)cc1C,,0.3564602,,,
+1849651127,*CC=C(C)C(C)S(*)(=O)=O,,0.37393533,,,
+1849868582,*CC(C)(CC)COC(=O)CCCCCCCCC(=O)O*,,0.35879786,,,
+1850000817,*OC(CCl)C(*)CCl,,0.38330248,,,
+1850128396,*CCCCCOc1ccc(CCc2ccc(O*)cc2C)cc1,,0.37161152,,,
+1851184285,*OC(=O)CNC(=O)CNC(=O)CCCCCCCCC(=O)NCC(=O)NCC(=O)OC1COC2C(*)COC12,,0.31199652,,,
+1851228821,*c1ccc(-c2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(*)ccc2-3)c(F)c1,,0.41077909,,,
+1851430426,*c1cccc(C(=O)Nc2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(NC(=O)c6cccc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(*)C%10=O)cc8C7=O)c6)cc5)cc4)cc3)cc2)c1,,0.36210831,,,
+1851457758,*CCC(C)(C)CC(C)CNC(=O)c1ccc(C(=O)N*)cc1,,0.33983259,,,
+1851478305,*Nc1ccc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc(C(*)=O)c3)cc2)cc1,,0.35065916,,,
+1851842760,*CC(OCC)C(C(=O)OC)C(*)C(=O)OC,,0.35037859,,,
+1852114421,*CCN(*)C(=O)CCCCCC,,0.37545125,,,
+1852303181,*C=Cc1cc(OCCCCCCCCCCCC)c(*)cc1OC,,0.38572378,,,
+1852392195,*C[Si](*)(C)c1ccccc1,,0.3722926,,,
+1852502200,*CCN(CCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.36663762,,,
+1852654693,*CCCCCOc1ccc(OCCCCCc2nnc(-c3ccc(-c4nnc(*)o4)cc3)o2)c(C)c1,,0.36383465,,,
+1852734307,*Nc1cc(N*)c(OC(=O)[C@H]2CC[C@@H](C(=O)Oc3cc(N)c(N)c(C)c3N)CC2)c(C)c1N,,0.33922468,,,
+1853131327,*Nc1ccc(Cc2ccc(Cc3ccc(Cc4ccc(N*)cc4)c(CC)c3)cc2CC)cc1,,0.35948061,,,
+1853159363,*Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)N*)cc1,,0.34867284,,,
+1853589021,*Nc1ccc2c(c1)[C@@]1(C)c3ccc(N)cc3[C@]2(C)c2cc(N*)ccc21,,0.3829945,,,
+1853676235,*C(F)(F)C(*)(OC(F)(F)F)OC(F)(F)F,,0.30939912,,,
+1854475288,*Nc1ccc(C(CCc2ccccc2)c2ccc(N*)cc2)cc1,,0.3465212,,,
+1854554359,*c1cc(C(c2ccc(OCc3cc(OCCN(C)c4ccc(C=CC5=CC(=C(C#N)C#N)CC(C)(C)C5)cc4)cc(OCCN(C)c4ccc(C=CC5=CC(=C(C#N)C#N)CC(C)(C)C5)cc4)c3)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1OCc1cc(OCCN(C)c2ccc(C=CC3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)cc(OCCN(C)c2ccc(C=CC3=CC(=C(C#N)C#N)CC(C)(C)C3)cc2)c1,,0.37745339,,,
+1854822078,*CC(*)C(=O)Nc1ccc(C(=O)C=Cc2cccc(Br)c2)cc1,,0.36040488,,,
+1854968322,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5cccc(C(F)(F)F)c5)C6=O)cc4)cc3)cc2)cc1,,0.38089404,,,
+1855068918,*Nc1ccc2cc3ccccc3c(N*)c2c1,,0.33879068,,,
+1855109187,*OC(C)C#CC#CC(C)OC(=O)c1ccc(C(*)=O)cc1,,0.39611075,,,
+1855247636,*Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(OC(=O)OCCOCCOC(*)=O)c4)cc3)cc2)c1,,0.37532958,,,
+1855385483,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc5C4=O)cc3)cc1)C2=O,,0.40224563,,,
+1855457163,*Nc1ccc(-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccc(-c4ccc(N*)cc4)cc3)cc2)cc1,,0.37596721,,,
+1856131378,*NS(N)(N)(N*)(c1ccccc1)c1ccccc1,,0.3467735,,,
+1856962369,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)cc1)C2=O,,0.35645832,,,
+1857016044,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5c(C)cc(-c6cc(C)c(Oc7ccc8c(c7)C(=O)N(*)C8=O)c(C)c6)cc5C)cc4C3=O)c(C)c2)cc1C,,0.41449337,,,
+1857030958,*c1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(Oc5ccc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6c5)cc4C3=O)cc2)cc1,,0.37497844,,,
+1857184942,*Nc1cc2c(cc1N*)C1c3cc(N)c(N)cc3C2c2cc(N)c(N)cc21,,0.372622,,,
+1857351068,*c1ccc(Oc2ccc(Sc3ccc(Oc4ccc(-c5cccc(*)n5)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.39151592,,,
+1857599978,*c1ccc2oc(-c3cccc(-c4nc5cc(C(*)(c6ccccc6)C(F)(F)F)ccc5o4)c3)nc2c1,,0.43815792,,,
+1858324553,*Nc1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(N*)ccc1-2,,0.366300765,,,
+1859484070,*CCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,,0.34745359,,,
+1860210048,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)c3ccc(Cc4ccc(C(=O)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)cc4)cc3)c1)C2=O,,0.36437785,,,
+1860317687,*Nc1ccc(NC(=O)CCCCCCCCC(*)=O)cc1,,0.34362682,,,
+1860476282,*Oc1ccc(Oc2ccc(C=Nc3ccc(N=Cc4ccc(*)cc4)cc3)cc2)cc1,,0.37280796,,,
+1860497514,*Nc1ccc(-c2c(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)c(N*)c(-c3ccc(-c4ccccc4)cc3)c2-c2ccc(-c3ccccc3)cc2)cc1,,0.36269909,,,
+1860569431,*CC(*)c1cccc(-c2ccc(-c3ccccc3)cc2)c1,,,0.1956666666666666,,
+1860871285,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.38583152,,,
+1861224717,*CCCCCCOC(=O)OCCCCCCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.35889601,,,
+1861437880,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(C)(C)c4cc(C)c(*)c(C)c4)cc3C)cc2)cc1,,0.39688711,,1.014775026,13.70570836
+1861488768,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OC(C)CC)cc1,,0.3394136,,,
+1861741928,*c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(C3(c4ccc(C#Cc5ccccc5)c(C#Cc5ccccc5)c4)c4ccccc4-c4ccccc43)ccc12,,,,0.900037683,11.54976157
+1861909022,*C(=O)OCC(C)(C)CSCC(C)(C)COC(=O)C1(C)CNC(*)(C)CN1,,0.36496974,,,
+1862037558,*CC(*)C(=O)N(C)c1ccccc1,,,0.1775,1.036978669,11.67331343
+1862323787,*CCCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,,0.35607597,,,
+1862970059,*Nc1ccc(-c2ccc(NC(=O)c3ccc(C(*)=O)cc3)cc2)cc1,,0.34911211,,,
+1863175243,*CCCNC(=O)C(OC)C(OC)C(=O)N*,,0.31506853,,,
+1863577619,*Oc1cccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c1,,0.33721798,,,
+1863578660,*CCOCCOC(=O)C(CCCCC)C(=O)O*,,0.35852428,,,
+1863583230,*CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)Cl,,,0.069,1.322806827,14.48982121
+1863818535,*CCN(CCOC(=O)c1ccc(C(=O)O*)c(OCCC)c1)c1ccc(C=C(C#N)C#N)cc1,,0.35424563,,,
+1863923314,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccccc3C(=O)Nc3ccc(O*)cc3)cc2)cc1,,0.34086664,,,
+1864041202,*C1C(=O)N(c2ccccc2C(=O)OCCCC)C(=O)C1*,,0.37158832,,,
+1864197716,*Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3ccc(C(*)=O)cc3)c(C)c2)cc1C,,0.39431974,,,
+1864288375,*Nc1ccc(Br)cc1-c1ccc(NC(=O)c2cccc(C(*)=O)c2)cc1,,0.36146384,,,
+1864402555,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccc(C(=O)Nc5ccc(*)cc5)c(C)c4)cc3C)cc2)cc1,,0.35817189,,,
+1864430039,*Cc1cc(C)c(CNC(=O)CCCCCCC(=O)N*)cc1C,,0.34359188,,,
+1864529364,*C[Si](*)(CCC)CCC,,0.40187734,,,
+1864581969,*CC(*)C(=O)N(C)C,,0.34373514,0.2125,0.999160184,14.4722603
+1864702589,*CCN(CCOC(=O)NCCCCCCNC(=O)O*)c1ccccc1,,0.34103383,,,
+1864783652,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(=O)c5ccc(Oc6ccc(-c7cc(*)n(-c8ccccc8)n7)cc6)cc5)cc4)cc3)cc2)cc1,,0.3855566,,,
+1864971169,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5cc(*)[nH]n5)cc4)cc3)cc2)cc1,,0.3828364,,,
+1865123528,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(*)=O)cc3)c(C(C)CC)c2)cc1C(C)CC,,0.39963061,,,
+1865362645,*CCCCCCCCCCOC(=O)CCCCS(=O)(=O)CCCCC(=O)O*,37.87494117,,0.278,,
+1865534172,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc(C3CCCCC3)cc2)cc1,,0.36193603,,,
+1865789709,*COc1ccc(C(C)(C)c2ccc(Oc3ccc(*)n3-c3ccc(C#N)cc3)cc2)cc1,,0.3718604,,,
+1865790148,*c1c(C)cc(C)c(N2C(=O)c3cccc(Oc4c(C)cc(-c5cc(C)c(Oc6cccc7c6C(=O)N(*)C7=O)c(C)c5)cc4C)c3C2=O)c1C,,0.39910552,,,
+1865960070,*CC(C[Si](*)(C)C)c1ccccc1,,0.38874361,,,
+1866518598,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(*)=O)cc2)C(=O)OCCCC)cc1,,0.34652373,,,
+1866896884,*CC(*)(CC(=O)OCCOCCOCCOC)C(=O)OCCOCCOCCOC,,0.33995573,,,
+1867066449,*CCOC(=O)c1ccc2ccc(C(=O)O*)cc2c1,,0.33503651,,,
+1867844121,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(Cc3ccccc3)CC2)cc1,,0.35467906,,,
+1867867984,*c1c(C)cc(C)c(N2C(=O)c3cccc(Oc4ccc(C(C)(C)c5ccc(Oc6cccc7c6C(=O)N(*)C7=O)cc5)cc4)c3C2=O)c1C,,0.38678504,,,
+1868095680,*CC(*)(C)C(=O)OCCCCc1ccc(N=Nc2ccc(OC(F)(F)F)cc2)cc1,,0.35542759,,,
+1868650247,*Oc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2Oc2nc(*)nc(N(CC)c3ccccc3)n2)cc1,146.7365026,,,,
+1868729394,*c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(S(*)(=O)=O)cc2)cc1,,0.348619,,,
+1869058141,*CC(O)COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OCC(O)COc3ccc(C(C)(C)c4ccc(O*)cc4)cc3)c(Cl)c2)cc1Cl,,0.36154236,,,
+1869058674,*Nc1ccc(C(C)(Cc2ccccc2)c2ccc(N*)cc2)cc1,,0.35508856,,,
+1869415100,*CCCCCCOc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(O*)cc4)c(Cl)c3)cc2Cl)cc1,133.9866306,,,,
+1869493071,*c1ccc(Oc2ccc(-c3c4ccccc4c(-c4ccc(Oc5ccc(-c6c7c(c(*)c8ccccc68)C(=O)N(c6ccccc6)C7=O)cc5)c(C(F)(F)F)c4)c4ccccc34)cc2C(F)(F)F)cc1,,0.3887442,,,
+1869593647,*C(=O)c1ccc(N(*)C)cc1,,0.37772289,,,
+1869660806,*Nc1cc(C)c(Cc2ccc(CCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.36173822,,,
+1870206037,*Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N)c(O)c2c1N*,,0.32302544,,,
+1870504474,*Nc1ccc(C(C)(C)C(C)(C)c2ccc(N*)cc2)cc1,,0.35566412,,,
+1870599069,*CC(*)C(=O)OC1CC2CCC1(C)C2(C)C,,0.38692751,,,
+1870681436,*Nc1ccc2cc(C(C)(C)C)ccc2c1-c1c(N*)ccc2cc(C(C)(C)C)ccc12,,0.38263341,,,
+1870773223,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(*)cc4C3=O)c(C)cc1C)C2=O,,0.39477416,,,
+1870860682,*CC(*)OC(=O)CCCCCCCCCCCCCCC,,,0.319,0.858717726,12.0896889
+1871148344,*C(C)=C(*)SCCCCCC,,0.41450621,,,
+1871161866,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36844586,,,
+1871349402,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=NN=Cc4ccc(*)cc4)cc3)cc2)cc1,,0.37217659,,,
+1871484696,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccccc5)c(-c5cc(*)ccc5C(=O)c5ccccc5)c4)cc3)c3ccccc3-c3ccccc32)cc1,,0.39595329,,,
+1871505743,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccc(C(C#N)=C(C#N)C#N)cc3)c(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O)c1ccc(C(C#N)=C(C#N)C#N)cc1,,0.36727055,,,
+1871588823,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4C3=O)cc2)cc1,,0.37110373,,,
+1871708716,*CC(*)C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,,0.35501942,,,
+1872303483,*C([2H])([2H])C(*)([2H])C([2H])=C([2H])[2H],,0.39062915,,,
+1872457449,*Oc1cccc(NC(=O)c2cc(C(=O)Nc3ccc(*)cc3)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c1,,0.34349195,,,
+1872607825,*c1ccc(OC(=O)c2ccc([Si](C)(C)c3ccc(C(=O)Oc4ccc(C5(*)c6ccccc6C(=O)N5c5ccccc5)cc4)cc3)cc2)cc1,,0.39364264,,,
+1872649544,*CC(COC(=O)CCCCCN1C(=O)C2C3C=CC(C3)C2C1=O)O*,,0.33852716,,,
+1872652115,*Nc1ccc(C2(c3ccc(N*)cc3)C[C@H](C)CC(C)(C)C2)cc1,,0.36369292,,,
+1873242473,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(N=Nc3ccc(F)cc3)c3ccccc23)cc1,,0.35605621,,,
+1873390978,*CC(OCC)C1(C)C(=O)OC(=O)C1(*)C,,0.32300959,,,
+1873610912,*c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc(S(=O)(=O)c5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.37485249,,,
+1873714666,*Nc1ccc2ccc3cccc4cc(N*)c1c2c34,,0.33162046,,,
+1873866400,*CCN1C(=O)C(=CC=C2SC(=S)N(*)C2=O)SC1=S,164.0140939,,,,
+1874165813,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3c(C)cccc32)cc1,,0.36740099,,,
+1874299815,*Nc1ccc(-c2cc(-c3ccccc3)c(N*)c(N)c2-c2ccccc2)cc1N,,0.35451477,,,
+1874313702,*CCCC(C)(C)CNC(=O)C(=O)N*,,0.3260029,,,
+1876018160,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccccc5)cc4)cc3)cc2)cc1,,0.38502718,,,
+1876711098,*Oc1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37206623,,,
+1876833893,*CC(*)c1ccc(CCCCCCCCCCCCCC)cc1,,0.40253381,0.3399999999999999,0.848186437,12.56559059
+1877102749,*CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(=O)O*,,0.30099588,,,
+1877161213,*Cc1cc(*)c(O)cc1C,12.40187977,,,,
+1877302307,*CC(C)(C)COC(=O)NC(=O)c1ccc(C(=O)NC(=O)O*)cc1,,0.31265064,,,
+1877327739,*CC(*)(C)C(=O)OCCCCCCCC,,,0.2415,0.891484349,11.61104884
+1877647340,*CCCCCCCCCNC(=O)N*,,0.35715169,,,
+1877844504,*Nc1ccc2c(-c3c(C)c(N)c(C)c(N*)c3C)c(N)ccc2c1,,0.36932958,,,
+1877921112,*CC(*)(CC(=O)OCCCCl)C(=O)OCCCCl,,0.3535211,,,
+1877965717,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1,,0.37375522,,,
+1878179811,*Oc1ccc(CC(*)=O)cc1,,0.3454687,,,
+1878617864,*c1cccc(-c2nc3ccc(-c4ccc5nc(*)sc5c4)cc3s2)c1,,0.46119303,,,
+1878660713,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3-c3cc(F)c(F)c(F)c3)c(-c3cc(F)c(F)c(F)c3)c1)C2=O,,0.38343995,,,
+1878904563,*NCCCOCCOCCOCCCN*,,0.3255813199999999,,,
+1879018576,*NC1=C(N)N[C@H](N)C(=O)[C@H](N*)N1,,0.29477936,,,
+1879180798,*N[C@@]12CC(=C)[C@@](C)(N*)[C@@]1(N)Cc1cccc(O)c1C2,,0.33242571,,,
+1879773381,*Oc1ccc(C=C2CCC(=Cc3ccc(OC(=O)c4ccc(N=Cc5ccc(C=Nc6ccc(C(*)=O)cc6)cc5)cc4)cc3)C2=O)cc1,,0.36680398,,,
+1880766912,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCC(C)C)cc1,,0.33925962,,,
+1881186822,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccc(C)cc3-c3ccc(C)cc32)cc1,,0.37924418,,,
+1881349845,*Oc1ccc(C(C)(C)c2ccc(Oc3cncc(*)n3)cc2)cc1,,0.35753445,,,
+1881434698,*Nc1c2ccccc2c(-c2c3ccccc3c(N*)c3c(-c4ccc(C)cc4)c(-c4ccc(C)cc4)c(-c4ccc(C)cc4)c(-c4ccc(C)cc4)c23)c2ccccc12,,0.39299822,,,
+1881628793,*CC(*)C(=O)Oc1ccccc1C(=O)OC,,0.33186429,,,
+1881927203,*CCOC(=O)c1ccc(C(=O)OCCOc2ccc(C(C)(C)c3ccc(O*)cc3)cc2)cc1,,0.34444131,,,
+1881954049,*c1ccc2c(c1)-c1cc(-c3nc4cc(-c5ccc6[nH]c(*)nc6c5)ccc4[nH]3)ccc1S2(=O)=O,355.5073659,,,,
+1882117628,*OC1C(COC(=O)Nc2ccccc2)OC(*)C(OC(=O)Nc2ccccc2)C1OC(=O)Nc1ccccc1,,0.3414528,,,
+1882780589,*CCN(*)C(=O)CCCC,,0.36217869,,,
+1882791294,*c1ccc(-c2cc(CCCCCCOC(=O)COc3ccccc3)c(*)s2)s1,,0.37333341,,,
+1882863686,*C(=C([2H])C([2H])([2H])C(*)([2H])[2H])C([2H])([2H])[2H],,0.40600876,,,
+1883003333,*CC(*)(C)c1ccc(C#N)cc1,,0.3935561,,,
+1883635741,*Oc1ccc(-c2ccc(N=Nc3ccc(C(*)=O)cc3)cc2)cc1,,0.36731588,,,
+1883833244,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5cccc(-c6cccc(C(=O)c7ccc(*)cc7)c6)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.38241447,,,
+1883909955,*c1ccc(-c2cc(CCCCCCCC)c(-c3ccc(-c4ccc(-c5sc(-c6ccc([Si](C)(C)[Si](*)(C)C)s6)cc5CCCCCCCC)s4)s3)s2)s1,,0.44805866,,,
+1884578116,*NCCC[C@@H](C)CN*,,0.32730151,,,
+1885691849,*CC(*)OC(=O)c1cccc(OC)c1,,0.33959116,,,
+1885797446,*CC(*)C(=O)OCC,,,0.2305,1.001646084,14.48303439
+1885836114,*Nc1ccc(Cc2ccc(NC(=O)c3cc(NC(=O)C(C(C)CC)N4C(=O)c5ccccc5C4=O)cc(C(*)=O)c3)cc2)cc1,,0.35394467,,,
+1885883959,*Nc1ccc(-c2cc(-c3ccccc3)c(N*)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.36380664,,,
+1886025191,*c1ccc(-c2nc3ccc(S(=O)(=O)c4ccc5nc(*)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1,,0.44809167,,,
+1886122212,*c1cccc(N2C(=O)c3c(c(-c4ccccc4)c(-c4ccc(-c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5-c5ccccc5)C(=O)N(*)C6=O)cc4)c(-c4ccccc4)c3-c3ccccc3)C2=O)c1,,0.40285213,,,
+1886386616,*CCCCCCNC(=O)CCCCC(=O)NCC(=O)N*,,0.32496558,,,
+1887035673,*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3c(C)cc(C(C)(C)c4cc(C)c(NC(=O)c5ccc(*)cc5)c(C)c4)cc3C)cc2)cc1C(C)(C)C,,0.39461572,,,
+1887357028,*C=Cc1ccc(*)c(OCc2cc(OCCC(C)CCCC(C)C)cc(OCC(CC)CCCC)c2)c1,,0.38283188,,,
+1887528434,*Nc1ccccc1C1(c2ccccc2N*)CCCCC1,,0.3550744,,,
+1887598982,*CC(*)C(=O)Nc1ccc(Cl)cc1,,0.35389835,,,
+1887729559,*OC(=O)C1CCC(C(=O)OC2COC3C(*)COC23)CC1,,0.3404303,,,
+1887902393,*Nc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)NC(*)=S)cc3)cc2)c1,,0.33864713,,,
+1887990999,*CC(COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1)OC(=O)c1ccccc1Cl,,0.35506882,,,
+1888278720,*CCC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)CCN4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)cc3)cc2)cc1,,0.33989797,,,
+1888293192,*Nc1ccc(C(c2ccc(N*)cc2)c2ccc(C(C)(C)C)cc2)cc1,,0.36825917,,,
+1888415409,*c1cccc(N2C(=O)C(=O)N(c3ccc(Cc4ccc(N5C(=O)C(=O)N(*)C5=O)cc4)cc3)C2=O)n1,,0.36326196,,,
+1888603184,*Oc1ccc(C(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(C(=O)c5ccc(*)cc5)cc4)c3)cc2)cc1,,0.35450759,,,
+1888669156,*Nc1ccc(-c2c3ccccc3c(-c3cccc(N*)c3)c3ccccc23)cc1,,0.36094997,,,
+1888885498,*N=P(*)(OCC=Cc1ccccc1)OCC=Cc1ccccc1,,0.36094292,,,
+1889214322,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3ccc4c(c3)C3(CC(C)(C)CC(C)(C)C3)c3cc(*)ccc3-4)ccc1-2,,0.41639141,,,
+1889222328,*Nc1cc(SCCC#N)c(NC(=O)c2ccc(C(*)=O)cc2)cc1SCCC#N,214.7483216,,,,
+1889579812,*Oc1ccc(C(=O)O)c(C(=O)Nc2ccc(NC(=O)c3cc(*)ccc3C(=O)O)cc2)c1,,0.31304057,,,
+1890198796,*CC(c1ccccc1)C1C(=O)N(CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C1*,,0.32992256,,,
+1890222826,*CC(COc1ccc(C(C)(c2ccccc2)c2ccc(O*)cc2)cc1)OC(=O)c1ccccc1,,0.35693176,,,
+1890528933,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3Br)c(Br)c1)C2=O,,0.41164319,,,
+1890730007,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,,0.37306628,,,
+1891219046,*Nc1ccc(-c2cccc(-c3ccccc3N*)c2)cc1C1=CCCCC1,,0.35958468,,,
+1891267124,*CCCCCCCC(=O)OC1COC(*)OC1,,0.35442774,,,
+1891268046,*CCCCCCCCCCNC(=O)CCCCC(=O)N*,,0.35535197,,,
+1891270134,*C(=O)Nc1ccc(C(c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3c(C)cc(C)c(N5C(=O)c6ccc(*)cc6C5=O)c3C)C4=O)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37180888,,,
+1891991846,*C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(-c4sc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)c(-c5ccccc5)c4-c4ccccc4)cc2)C3=O)cc1,,0.39311004,,,
+1892436354,*OP(=O)(Oc1ccc(Br)cc1)OC(CCl)COc1ccc(S(=O)(=O)c2ccc(OCC(*)CCl)cc2)cc1,,0.3602855,,,
+1892438799,*c1c(C)cc(-c2cc(C)c(N3C(=O)c4ccc(Oc5cc6ccccc6cc5Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.38934069,,,
+1892522189,*Nc1ccc([C@]2(c3ccccc3)CC[C@H](N*)CC2)cc1,,0.34589131,,,
+1892682102,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(-c6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6)cc5)cc3)C4=O)cc2)cc1,,0.35822552,,,
+1893126159,*c1ccc(Oc2ccc(C(C)(C)c3ccccc3)cc2)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.39256327,,,
+1893396253,*CC(*)(C)C(=O)OCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1,,0.3618429,,,
+1893806393,*c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.37860625,,,
+1893896764,*CCCOC(=O)NCCCCCCNC(=O)O*,,0.33011168,,,
+1894105114,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccccc7Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.37120514,,,
+1894241731,*c1ccc(-c2ccc(-c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,357.2965065,,,,
+1894260096,*CCOC(=O)Nc1ccc(C)c(NC(=O)OCCOc2ccc(C3(c4ccc(O*)cc4)c4ccccc4-c4ccccc43)cc2)c1,,0.35870068,,,
+1894298006,*CCCCOC(=O)O*,,0.33188575,,,
+1894369854,*C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cc1ccccc1N1C(=O)c3ccc(*)cc3C1=O)C2=O,,0.37730051,,,
+1894651804,*CC/C=C\C[Si](*)(C)c1ccccc1,,0.37572557,,,
+1894705136,*CC(*)(CC(=O)OCCCl)C(=O)OCCCl,,0.35304556,,,
+1895063835,*CC(*)(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,,0.34298576,,,
+1895073862,*NN(N*)c1nc2nc(N)n(N)c2c(=O)n1N,,0.33967082,,,
+1895904608,*CC(*)(C)C(=O)OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.34149841,,,
+1895946693,*Nc1ccc(C2(c3ccc(N*)cc3)CCCCC2)cc1,,0.352691375,,,
+1896402362,*Nc1cccc(C2(c3cccc(N*)c3)c3cccc(N)c3-c3c(N)cccc32)c1,,0.36736588,,,
+1896761463,*CC(*)(F)C(=O)OCC(Cl)(Cl)Cl,,0.36380773,,,
+1896795195,*CC(*)(C)C(=O)OCc1ccc(Cl)c(Cl)c1,,0.35729851,,,
+1896863943,*CC(*)C(=O)NCCCC,-84.72234668,,0.252,0.938352718,11.69729541
+1897620577,*CC(CCCCCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1)COC(=O)CCCCCCCCCCCCC(=O)O*,,0.37422275,,,
+1897678696,*Nc1ccc(-c2cc(-c3ccc(N)cc3C)cc(-c3ccc(N*)cc3C)c2)c(C)c1,,0.3665509,,,
+1898005321,*Oc1ccc(OC(=O)c2cc(OCCCCCCCCCCOCC3CCCN3c3ccc([N+](=O)[O-])cc3)c(C(*)=O)cc2OCCCCCCCCCCOCC2CCCN2c2ccc([N+](=O)[O-])cc2)cc1,,0.35740991,,,
+1898276477,*Nc1c(C)c(C)c(N*)c(C)c1C,,0.358234115,,,
+1898882612,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccc(S(=O)(=O)c6ccccc6)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38778693,,,
+1899186076,*CC(*)(C)C(=O)OCC#N,,0.34496113,,,
+1899283335,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(c3ccccc3)CC2)cc1,,0.35979083,,,
+1899317427,*Nc1ccc(-c2ccc3c(c2)Cc2cc(-c4ccc(N*)cc4)ccc2-3)cc1,,0.35324332,,,
+1899542074,*Nc1ccc(Oc2ccc(Oc3ccc(N*)cc3)cc2)cc1,,0.34207479,,,
+1899805345,*c1ccc(S(=O)(=O)c2ccc(N3C(=O)c4ccc(Oc5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4C3=O)cc2)cc1,,0.37206613,,,
+1899839615,*Nc1ccc(-c2ccc(N*)c(O)c2)cc1O,,0.31809801,,,
+1900067504,*CCCCOC(=O)c1ccc(NC=Nc2ccc(C(=O)O*)cc2)cc1,,0.35909112,,,
+1900387245,*Oc1ccc(-c2ccc(-c3ccc(Oc4ccc(C(C)(C)c5ccc(*)cc5)cc4)c(C(F)(F)F)c3)cc2)cc1C(F)(F)F,,0.37983546,,,
+1901476786,*C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5cccc6c(N7C(=O)c8ccc(*)cc8C7=O)cccc56)cc3)C4=O)cc2)cc1,,0.36485895,,,
+1901480658,*CCCCOC(=O)NCCCCCCNC(=O)OCCCCOc1ccc(N=Cc2ccc(C(=O)Oc3ccc(C=Nc4ccc(O*)cc4)cc3)cc2)cc1,-34.25655466,,,,
+1901756978,*C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(P(=O)(c5ccccc5)c5cccc(N6C(=O)c7ccc(*)cc7C6=O)c5)c3)C4=O)cc2)cc1,,0.36549109,,,
+1901878899,*CCCCCCOC(=O)C(CCCCCCP(=O)(O)O)C(=O)OCCCCCCOc1ccc(-n2on2-c2ccc(O*)cc2)cc1,,0.35235981,,,
+1902063591,*C(=O)OCCCCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.34037941,,,
+1902122155,*Oc1ccc(S(=O)(=O)c2ccc3ccc(S(=O)(=O)c4ccc(*)cc4)cc3c2)cc1,,0.36906396,,,
+1902160651,*Nc1ccc(/C=C/c2cccc3c(/C=C/c4ccc(N*)cc4)cccc23)cc1,,0.353423605,,,
+1903144609,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)c1)C2=O,,0.37194181,,,
+1903600886,*Nc1ccc2cccc3c2c1C(CC)=C(CC)[C@@H]3N*,,0.35278804,,,
+1903713432,*CC(C)C(C)COC(=O)c1ccc(C(=O)O*)cc1,,0.34746292,,,
+1904729380,*Nc1ccc2c(C)c3c(C)c(C)c(N*)c(C)c3cc2c1,,0.3506461,,,
+1905028152,*Nc1ccc(Cc2ccc(-c3ccccc3Cc3ccc(N*)cc3)cc2)cc1,,0.35309577,,,
+1905216047,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(*)cc4)cc3)cc2)cc1,203.5999878,,,,
+1905277968,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.36364595,,,
+1905422493,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5ccc(*)s5)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.41103531,,,
+1905713032,*Nc1ccc2c(-c3ccccc3)c(N*)c(-c3ccccc3)c(-c3ccccc3)c2c1-c1ccccc1,,0.37513122,,,
+1906030698,*c1cc(OCCCC)cc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37507763,,,
+1906044444,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(-c6nnc(*)c7c(-c8ccc(F)cc8)c(-c8ccc(F)cc8)c(-c8ccc(F)cc8)c(-c8ccc(F)cc8)c67)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1,,0.41682374,,,
+1906060970,*Nc1c(-c2ccccc2)c(-c2ccccc2)c2ccccc2c1N*,,0.36229869,,,
+1906506911,*Nc1ccc(-c2cccc3cccc(-c4ccc(N*)cc4)c23)cc1,,0.3474253,,,
+1906633153,*Nc1ccc(NC(=O)CCCCCC(*)=O)cc1,,0.3281237,,,
+1906906209,*Nc1cc2c(-c3ccccc3)c3c(-c4ccccc4)c4cc(N*)c(N)cc4c(-c4ccccc4)c3c(-c3ccccc3)c2cc1N,,0.36326244,,,
+1907401274,*CC(*)C(=O)Nc1ccc(C(=O)C=Cc2ccc(Br)cc2)cc1,,0.36262044,,,
+1907558248,*CCC(=O)OC(=O)CCc1ccc(*)o1,,,0.216,,
+1907646642,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cn3)nc1)C2=O,,0.3708683,,,
+1907952467,*Nc1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc(C(*)=O)cc3)cc2)cc1C(=O)OCCCCCCCCCCCCCCCCCC,,0.36305702,,,
+1908228365,*CCCCCCC(=O)NCc1ccc(CNC(=O)CCCCCCS*)cc1,,0.36267887,,,
+1908364684,*Nc1ccc(-c2cccc3ccccc23)c(-c2ccccc2)c1N*,,0.35996757,,,
+1908775119,*c1ccc(Oc2ccc(Oc3ccc(-c4cnc5ccc(-c6ccc7ncc(*)nc7c6)cc5n4)cc3)cc2)cc1,,0.38500868,,,
+1908941468,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCCCCCCCC)cc1,,0.34855736,,,
+1910103715,*CCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,,0.3795304,,,
+1911086845,*c1ccc2oc(-c3ccc(-c4nc5cc(C(*)(c6ccccc6)C(F)(F)F)ccc5o4)cc3)nc2c1,,0.45875481,,,
+1911532586,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)cc1S(=O)(=O)O,,0.3508676,,,
+1911905200,*C=CC1CC(*)C(C#N)C1,,0.39476009,,,
+1911926467,*CC(CSC)O*,,0.41981356,,,
+1911963342,*CC(*)C(=O)n1sc2ccccc2c1=O,48.67425788,,,,
+1912017685,*CC(*)[Si](C)(C)Cc1ccccc1,,0.36754872,,,
+1912083932,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CCCCCCCCCCCC,,0.37677964,,,
+1912147729,*c1c(C)cc(C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.42214994,,,
+1912251377,*CCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,,,0.3915714285714285,0.876856201,21.89554378
+1912518216,*CCCCCCCCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.361536,,,
+1912601583,*OC(=O)c1ccc(C(=O)OC2CC3CC(*)CC(C2)O3)cc1,,0.34801487,,,
+1913033936,*CCC1CC(*)C2CCCC12,,0.37234991,,,
+1913604664,*C(=O)OCCOC(=O)c1cccc(N2C(=O)c3ccc(*)cc3C2=O)c1,,0.33299939,,,
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+1914838661,*CC(*)n1c2ccccc2c2ccccc21,,,0.147,1.05806832,11.82300548
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+1914954895,*Oc1ccc2ccc(Oc3ccc(C(=O)Nc4cccc(Oc5ccc(NC(=O)c6ccc(*)cc6)cc5)c4)cc3)cc2c1,,0.35277036,,,
+1914982152,*C=Cc1ccc2c(c1)Sc1cc(*)ccc1N2c1ccc(OCCCCCCCCCCCC)cc1,,0.39567095,,,
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+1916198200,*OP(=O)(Oc1ccc(Br)cc1)Oc1c(C)cc(S(=O)(=O)c2cc(C)c(*)c(C)c2)cc1C,,0.37734655,,,
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+1916735639,*Nc1cc(N*)c2nc(-c3ccc(-c4nc5c(N)cc(N)c(N)c5c(=O)o4)cc3)oc(=O)c2c1N,,0.35583172,,,
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+1917029887,*OC(=O)CNC(=O)CCCCCCCCC(=O)NCC(=O)OC1COC2C(*)COC12,,0.32250215,,,
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+1917298650,*CNC(=O)CCCCC(=O)NCC1COC(*)CO1,,0.31541925,,,
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+1917735870,*c1ccc(-c2ccc(N(*)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1,,0.44831423,,,
+1917756223,*Oc1ccc(C=NN=Cc2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1,,0.37285172,,,
+1917841461,*CCC(=O)N(CCN(C(=O)CCN1CCN(*)CC1)C(C)C)C(C)C,-43.71593166,,,,
+1917866361,*c1ccc(Nc2ccc(C(c3ccc(Nc4ccc(S(*)(=O)=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.39098411,,,
+1918165220,*ON(C(F)(F)F)C(F)(C(*)(F)F)C(F)(F)F,,0.29794304,,,
+1918242337,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C6(c7ccc(Oc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7)NC(=O)c7ccccc76)cc5)cc3)C4=O)cc2)cc1,,0.36308192,,,
+1918548284,*Nc1cc2c3ccc(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)c3c(N*)cc2c2ccccc12,,0.37420991,,,
+1919323099,*Oc1ccc(NC(=O)NC2CC(C)(C)CC(C)(CNC(=O)Nc3ccc(*)c(-c4ccc(Oc5ccccc5)cc4)c3)C2)cc1-c1ccc(Oc2ccccc2)cc1,,0.35601929,,,
+1919352729,*Nc1cccc2c1c1cccc(N)c1c1cccc(N*)c12,,0.33957884,,,
+1919555775,*CC(CCCC)O*,,0.40491209,,,
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+1919652718,*CCCCCCCCCCCN1C(=O)c2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3)cc2C1=O,,0.34909001,,,
+1919727869,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(*)cc5)c4)cc3)cc2)cc1,,0.35823661,,,
+1919732272,*CCCOC(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(C(=O)O*)cc2)cc1,83.99780359,,,,
+1919768814,*Oc1ccc(C(c2ccc(OC(=O)Nc3ccc(Cc4ccc(NC(*)=O)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.3538727,,,
+1920006010,*OC1C(CO)OC(*)C(N)C1O,,0.30298041,,,
+1920455411,*c1ccc(OCCN(CC)c2ccc(-c3ccc(C(=C(C#N)C#N)c4ccc(N(CC)CC)cc4)s3)cc2)c(-c2cc(-c3ccccc3)c3cc(Oc4ccc5nc(*)cc(-c6ccccc6)c5c4)ccc3n2)c1,,0.40104761,,,
+1920671231,*C(=O)Nc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.33896532,,,
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+1921035085,*CCCCCCN1C(=O)C(=O)N(c2ccc(CCc3ccccc3N3C(=O)C(=O)N(*)C3=O)cc2)C1=O,,0.33804418,,,
+1921102507,*Nc1ccc(C(C)(c2ccc(N*)cc2)C2C3=CC=CC2=C3)cc1,,0.35568458,,,
+1921819978,*CCc1cc(Cl)c(*)c(Cl)c1,,0.39170288,,,
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+1922704516,*c1cc(N=Nc2ccc([N+](=O)[O-])cc2)cc(*)c1O,165.6801535,,,,
+1922733245,*OS(=O)(=O)c1cc(C)c(*)c(C)c1,,0.36970865,,,
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+1924314985,*C(=O)Nc1cccc(NC(=O)C=Cc2cccc(N3C(=O)c4ccc(*)cc4C3=O)c2)c1,,0.33727257,,,
+1924725049,*CCOC(=O)Cc1ccc(C(=O)O*)cc1,,0.33698334,,,
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+1925016072,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5C4=O)cc3)c2)cc1,,0.35881945,,,
+1925322729,*CC(CCl)(CCl)O*,,,0.1159999999999999,1.297944961,14.62361719
+1926054747,*CCCN(*)C(=O)c1ccccc1,,0.35183326,,,
+1926476264,*=c1cc2ccc3cc(=c4oc(=*)c5ccc6cccc7c8cccc9ccc4c(c98)c5c67)cc4ccc(c1)c2c34,432.43,,,,
+1926928868,*CC(*)(C)C(=O)OCCCC,,,0.203,0.906003571,12.81294077
+1926938420,*CC(O)CN(*)c1ccccc1,,0.36123033,,,
+1927037390,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OC(C)C)cc1,,0.33804671,,,
+1927081299,*CCCCCCCCCCSSS*,,0.44700214,,,
+1927128897,*C=CC1CC(*)C2C(=O)N(CCC)C(=O)C12,,0.35809659,,,
+1927758769,*Nc1c(CC=C)cc(C2(c3cc(CC=C)c(N*)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C,,0.39746768,,,
+1927827518,*CC(*)c1cccc(CC)c1,,,0.186,,
+1927972099,*CC(*)(CC(=O)Oc1ccccc1C)C(=O)Oc1ccccc1C,,,0.1635,1.059872607,11.34414762
+1928141683,*CCCCNC(=O)CCCCCCCCC(=O)N*,,,0.355,,
+1928552042,*Oc1c(C)cc(*)cc1C(C)CCCCCCCC,,0.40648391,,,
+1928832708,*CCCCCCCCCCOc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(O*)cc4O)c(OC)c3)cc2OC)c(O)c1,,0.36372258,,,
+1928965066,*CCCCCCOC(=O)c1cc(OCCCCCCOc2ccc(N=Nc3ccc(C#N)cc3)cc2)cc(C(=O)OCCCCCCN2C(=O)c3ccc(-c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4)cc3C2=O)c1,,0.35328159,,,
+1929156646,*OC1CCC(OC(=O)OCCCCCOC(*)=O)CC1,,0.34122931,,,
+1929935400,*CC(=O)NCCCCCCNC(=O)COC(=O)CCCCCCC(=O)O*,,0.32965374,,,
+1930036664,*Nc1ccc(C2=C(c3ccccc3)[C@@H](c3ccccc3)C(N)(N*)C=C2)cc1,,0.36629417,,,
+1930079807,*c1cc(CC(=O)OCCCCCCCC)c(*)[nH]1,-4.076963699,,,,
+1930443303,*CCC=C(*)C,,0.40009241,,,
+1930470217,*Nc1ccc(NC(=O)c2cc(C(*)=O)c(C(=O)OCC)cc2C(=O)OCC)cc1,,0.33893458,,,
+1930894863,*CCC1C(=O)N(C)C(=O)C1*,,0.32269623,,,
+1930955815,*N=P(*)(OCCOCCOCCCC)OCCOCCOCCCC,,0.37867352,,,
+1931091921,*Oc1ccc(-c2ccc(Oc3ccc4ccccc4c3-c3c(*)ccc4ccccc34)c3ccccc23)c2ccccc12,,0.39374699,,,
+1931410833,*CC(*)(C)C(=O)Oc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1,,0.38550865,,,
+1931637723,*Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N*)cc4)cc3)cc2)cc1,,0.34360821,,,
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+1931909120,*Nc1ccc2c(N*)c3cc(N)ccc3c(N)c2c1,,0.34576723,,,
+1932242031,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(-c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36829952,,,
+1932390500,*C(=O)NCCCCCCCCCCNC(=O)c1ccc(*)o1,,,0.217,,
+1932564704,*=C=C=C(COC(=O)NCC)C(=*)COC(=O)NCC,172.0633872,,,,
+1932637388,*c1ccc(CC(=O)Nc2ccc(Oc3ccc(NC(=O)Cc4ccc(-c5sc(*)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1,,0.37963807,,,
+1932737205,*C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.3580544,,,
+1932802703,*Oc1ccc(C(c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.35070734,,,
+1933004653,*OS(=O)(=O)c1cc(S(=O)(=O)Oc2ccc(C3(c4ccc(*)cc4)CCCC3)cc2)ccc1C,,0.36404714,,,
+1933066795,*c1ccc(C(=O)OCCCCCCCCOc2ccc(C=C3CCCCC(=Cc4ccc(OCCCCCCCCOC(=O)c5ccc(-c6nnc(*)o6)cc5)cc4)C3=O)cc2)cc1,,0.36677031,,,
+1933529441,*C=NCCN=Cc1ccc(Sc2ccc(*)o2)o1,95.6213855,,,,
+1933712132,*c1ccc([Si](C)(C)c2ccc([SiH](*)C)s2)s1,60.04219897,,,,
+1933820661,*CCCCCCCCCNC(=O)CCCCCCCC(=O)N*,9.904824538,,0.361,0.944002177,22.95997032
+1933889140,*Oc1ccc(OC(=O)c2cc(OCCCCCCCCCCCCCCCC)c(C(*)=O)cc2OCCCCCCCCCCCCCCCC)cc1,77.98044592,,,,
+1933958092,*CCCCCCCCCCCCCCCCCCCCC(*)Cl,,,0.468,0.869388674,22.5555845
+1934083726,*CC(*)(C)C(=O)OC(C)CC,,,0.182,0.898018787,12.66511883
+1934582540,*CC(*)(C)C(=O)OCCCCc1ccccc1,,0.36056705,,,
+1934851190,*Nc1ccccc1CCc1ccc(NC(*)=O)cc1,,0.34964607,,,
+1935091006,*CC(*)(C)C(=O)OCc1cc(Cl)cc(Cl)c1,,0.35906953,,,
+1936130559,*Nc1ccc(-c2ccc(-c3ccc(-c4ccc(N*)cc4)cc3)cc2)cc1,,0.34630699,,,
+1936588352,*Nc1ccc2c(c1)c(C)c(-c1ccccc1)c1cc(N*)ccc12,,0.35070087,,,
+1937333990,*Nc1c(CCC)c2cccc3c4cccc5cccc(c(c1N*)c23)c54,,0.35047005,,,
+1938625249,*Nc1ccc(C[C@](C)(CC)c2ccc(N)c(C[C@@](C)(CC)c3ccc(N*)cc3)c2)cc1,,0.3558969,,,
+1938664551,*Nc1cccc(-c2c(N*)cccc2-c2ccccc2)c1,,0.35005317,,,
+1939398685,*Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(CN(*)c2ccccc2)c1O,,0.38557882,,,
+1939581854,*C1CCC(CC2CCC(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)CC2)CC1,,0.36158829,,,
+1939700854,*Nc1ccc([C@H](CC)c2ccc(C3(c4ccc([C@@H](CC)c5ccc(N*)cc5)cc4)CCCCC3)cc2)cc1,,0.36956425,,,
+1939922135,*Oc1ccc(C(c2ccc(OC(*)=S)cc2)c2cccc3ccccc23)cc1,,0.37286204,,,
+1940131067,*CCCCCCCCCCSCCCCS*,,,0.282,,
+1941096449,*Nc1ccc2c(N*)c3cc(N)ccc3cc2c1,,0.34432404,,,
+1941265933,*CC(*)C(C)(C)C,,,0.1363333333333333,,
+1941356734,*c1ccc(Oc2ccc(C(=O)c3ccc4cc(C(=O)c5ccc(Oc6ccc(-c7nc(-c8ccc(-c9nc(*)c(-c%10ccccc%10)[nH]9)cc8)[nH]c7-c7ccccc7)cc6)cc5)ccc4c3)cc2)cc1,,0.40364332,,,
+1941491710,*c1ccc(C(c2ccc(OCCCC)cc2)c2ccc(N(*)c3ccc(C)cc3)cc2)cc1,,0.42901003,,,
+1941500497,*NC/C=C\C(=C/CC)[C@]1(c2ccc(N*)cc2)c2ccccc2[C@@]2(C)C=CC=C[C@@H]12,,0.36729671,,,
+1941951841,*c1cc(CCCCCCCCCCCCCCCC)c(*)s1,,,0.381,,
+1942089131,*c1ccc(-c2ccc(-c3ccc(-c4ccc([Si](CCCC)(CCCC)[Si](*)(CCCC)CCCC)s4)s3)s2)s1,,0.42782111,,,
+1942247562,*c1ccc2c(c1)C(=O)N(c1c(CC)cc(Cc3cc(CC)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(CC)c3)cc1CC)C2=O,,0.41266288,,,
+1942353441,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3cc(C(C)(C)C)c(Oc4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4C(F)(F)F)c(C(C)(C)C)c3)cc1)C2=O,,0.41039262,,,
+1942367812,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OC(C)C)cc1,,0.35066661,,,
+1942693246,*CCC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.32686636,,,
+1942916315,*Nc1ccc2cc3cc(N*)ccc3cc2c1,,0.34349824,,,
+1943060109,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c1)C2=O,,0.38603279,,,
+1944234117,*C(C#N)=C(C#N)N1C(=O)c2ccc(C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3)cc2C1=O,,0.37567368,,,
+1944443208,*CCC1CC(*)C2C3CC(CC)C(C3)C12,,0.3847423,,,
+1944562220,*c1ccc(C2(c3ccc(-c4cc(-c5ccccc5)c5cc(Oc6ccc7nc(*)cc(-c8ccccc8)c7c6)ccc5n4)cc3)c3ccccc3C(=O)c3ccccc32)cc1,,0.41900126,,,
+1944776345,*CC1CC(*)C(OC(=O)CCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1OC(=O)CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1,,0.36288651,,,
+1945309092,*OC(C)COCC(C)OC(=O)c1ccccc1C(*)=O,,0.3500213,,,
+1945809152,*CC(OC1CCCCC1)C1C(=O)OC(=O)C1*,,0.33180155,,,
+1946473006,*N=P(N=P(N=S(*)(=O)NCCC)(NCCC)NCCC)(NCCC)NCCC,,0.39552121,,,
+1947203303,*Nc1ccccc1-c1cccc(C2(c3ccc(N*)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)c1,,0.37486017,,,
+1947367944,*CC(*)(C)C(=O)OCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1,,0.35714893,,,
+1947454451,*C(=O)Nc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc4[nH]c(-c5ccc(-c6nc7cc(*)ccc7[nH]6)cc5)nc4c3)c2)c1,,0.36448737,,,
+1947568782,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C#Cc1ccc(C#C[Si](*)(C)C)cc1,,0.46091949,,,
+1947579859,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCC)cc1,,0.3461508,,,
+1947586452,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)CCCCCCCCCCC(=O)Nc4cccc(O*)c4)c3)cc2)cc1,,0.34635755,,,
+1948010634,*Oc1ccc(OC(=O)c2ccc(Oc3ccc(C(*)=O)cc3)cc2)c2ccccc12,,0.35595045,,,
+1948589234,*Oc1ccc(C2(c3ccc(OC(=O)OC4C(C)(C)C(OC(*)=O)C4(C)C)cc3)CCCCC2)cc1,,0.36225678,,,
+1948698672,*OC(COC(=O)C12CC3CC(CC(C(*)=O)(C3)C1)C2)COc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.35736369,,,
+1949061676,*C(=O)Nc1ccc(C2(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CC(C)CC(C)(C)C2)cc1,,0.38283226,,,
+1949190696,*Oc1ccc(Oc2ccc(NC(=O)c3cc(NC(=O)c4ccc(OC(C)=O)cc4)cc(C(=O)Nc4ccc(*)cc4)c3)cc2)cc1,,0.34312529,,,
+1949212177,*C(=O)Nc1ccc(-c2sc(-c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc7ccc(Oc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7c6)cc4)C5=O)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1,,0.38350821,,,
+1949333335,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)cc1,,0.35202663,,,
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+1953803634,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(NC(=O)Nc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.34861514,,,
+1954306622,*Nc1cc2c(c(N*)c1N)-c1ccccc1C21c2ccccc2-c2ccccc21,,0.37629547,,,
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+1956029718,*CCCCCCCCCCCCCCCCCCCCC(*)COCCOCCOCCOCCOCc1ccc2ccc3cccc4ccc1c2c34,,0.37669905,,,
+1956150521,*CC(*)(C)C(=O)OCCN(C)C,,0.36516646,0.2005,0.981910387,12.3457196
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+1957426818,*c1c(C)cc(C(c2cccnc2)c2cc(C)c(N3C(=O)CC(Nc4ccc(Cc5ccc(NC6CC(=O)N(*)C6=O)cc5)cc4)C3=O)c(C)c2)cc1C,,0.3862315,,,
+1957470383,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc(C(=O)O*)c2)c1,,0.33466722,,,
+1958192948,*c1ccc2c(c1)C(=O)N(c1ccc(-c3cc(-c4ccc(OCCCC#N)cc4)cc(-c4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)n3)cc1)C2=O,,0.39133561,,,
+1958473963,*Oc1cccc2ccc(Oc3ccc(NC(=O)c4ccc(Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4)cc3)cc12,,0.35386288,,,
+1958487458,*OC1CCCCC1OC(*)=O,,0.34928658,,,
+1958554605,*CC(C[Si](*)(C)C)c1cccc2ccccc12,,0.37751563,,,
+1958618966,*CC(C)(C)O*,,0.39662664,0.1995,0.861163598,13.695157
+1958858448,*C=CC1CC(*)C([Si](C)(C)C)C1,,0.41756193,,,
+1959224488,*c1ccc(N(c2ccc(C#N)cc2)c2ccc(N3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(*)C9=O)cc7)c7ccccc7-c7ccccc76)cc5)cc4C3=O)cc2)cc1,,0.41325752,,,
+1959489258,*Nc1ccc(C(c2ccc(CC)cc2)c2ccc(N*)cc2)cc1,,0.36039896,,,
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+1960232404,*CCCCCCCCCCCCOc1ccc(OCc2ccc(COc3ccc(O*)cc3)cc2)cc1,,0.36434601,,,
+1960719660,*CCCCCCNC(=O)Cc1ccc(C(=O)N*)cc1,,0.3389375,,,
+1960875010,*c1ccc(-c2cnc3cc4nc(*)cnc4cc3n2)cc1,,0.49831615,,,
+1960968082,*c1ccc(C(=O)OCCCCCCOc2ccc(C=CC(=O)C=Cc3ccc(OCCCCCCOC(=O)c4ccc(-c5nnc(*)o5)cc4)cc3)cc2)cc1,,0.35964696,,,
+1961009790,*Nc1ccc(C(=C(CC)c2ccccc2)c2ccc(N*)cc2)cc1,,0.36784102,,,
+1961333233,*CCN(CCOC(=O)Nc1cccc(NC(=O)O*)c1C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.34593177,,,
+1961335797,*c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(-c6nnc(*)c7c(-c8ccccc8)c(-c8ccc9ccccc9c8)c(-c8ccc9ccccc9c8)c(-c8ccccc8)c67)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1,,0.41100116,,,
+1962617217,*Nc1cc(C)c(Cc2ccc(CCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.36087708,,,
+1962650861,*CCCCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)CCCCOc2ccc(O*)c(C)c2)cc1,,0.33967136,,,
+1962833245,*c1ccc(NC2CC(=O)N(c3ccc(Cc4ccc(N5C(=O)CC(Nc6ccc(-c7nc(-c8ccc(N=Nc9ccc([N+](=O)[O-])cc9)cc8)[nH]c7*)cc6)C5=O)cc4)cc3)C2=O)cc1,,0.37673487,,,
+1963304401,*CCCCCCCCCCOC(=O)CC/C=C/CCC(=O)O*,,0.3650855,,,
+1963751846,*C=CC1CC(*)C(C2CC=CCC2)C1,,0.39319144,,,
+1964367064,*Oc1c(C)c(C)c(NC(=O)c2ccc(C(=O)Nc3ccc(*)cc3)cc2)c(C)c1C,,0.37041365,,,
+1964385683,*C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)c1ccccc1N1C(=O)c3ccc(*)cc3C1=O)C2=O,,0.38153591,,,
+1964501919,*c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-c5nnc(*)n5-c5ccc(S(C)(=O)=O)cc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.38547657,,,
+1964666760,*CCCCCCOC(=O)NCCCCNC(=O)O*,,0.33568423,,,
+1964792280,*c1ccc(OCCN(CCOc2ccc(-c3cc(-c4ccccc4)c4cc(Oc5ccc6nc(*)cc(-c7ccccc7)c6c5)ccc4n3)cc2)c2ccc(C(C#N)=C(C#N)C#N)cc2)cc1,,0.38278631,,,
+1964948297,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O,,0.37124661,,,
+1965550017,*CC(*)C(=O)OCCSC,,0.38690329,0.181,1.110954584,15.7280871
+1965690727,*CCCCCCCCCCOC(=O)c1cccc(NC(=O)O*)c1,45.09440244,,,,
+1965799831,*CCCCCCNC(=O)C(CCCCCCCCCCCCCCCCCC)C(=O)N*,,,0.354,,
+1965906081,*O[Si](*)(C)CCCOc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1,,0.3616266,,,
+1965969714,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CC(C)CCC(*)=O)cc2)C(=O)OCCCC)cc1,,0.3483824,,,
+1966018498,*SC1CCCC(*)C1,,0.39301912,,,
+1966201897,*CC(*)c1ccc(COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.35487318,,,
+1966629557,*CCCCCCOC(=O)OCCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.35116404,,,
+1966848887,*CCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,0.37735264,0.3725,0.901851851,21.13049646
+1967479741,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(c4cc(C)c(*)c(C)c4)(C(F)(F)F)C(F)(F)F)cc3C)c(Br)c2)cc1Br,,0.41274823,,,
+1967596895,*Nc1c(CCCC)cc(C2(c3cc(CCCC)c(N*)c(CCCC)c3)c3ccccc3-c3ccccc32)cc1CCCC,,0.39180486,,,
+1967679061,*CC(OCC(C)C)C1C(=O)OC(=O)C1*,,0.33696178,,,
+1967860241,*CC(*)(CC(=O)Oc1ccc(OCCC)cc1)C(=O)Oc1ccc(OCCC)cc1,,0.35583828,,,
+1968301845,*CCN(*)CCOCCOC,,0.35963141,,,
+1968819662,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C=C4CCCCC(=Cc5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(C(C)(C)c9ccc(*)cc9)cc8)cc7)cc6)cc5)C4=O)cc3)cc2)cc1,,0.37593554,,,
+1968997516,*CC(CO*)(CS(=O)(=O)CCCCC)CS(=O)(=O)CCCCC,,0.3851805,,,
+1969004591,*c1ccc(OCCN(CCOc2ccc(-c3nc4ccc(Oc5ccc6nc(*)c(-c7ccccc7)nc6c5)cc4nc3-c3ccccc3)cc2)c2ccc(C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,,0.37700388,,,
+1969083594,*CCOC(=O)NCCNC(=O)O*,5.896093021,,,,
+1969287325,*Oc1ccc(OC(=O)c2ccccc2C=Cc2ccc(C=Cc3ccccc3C(*)=O)cc2)cc1,86.85824281,,,,
+1969520077,*Oc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(Oc5ccc(C6(c7ccc(*)cc7)C7CC8CC(C7)CC6C8)cc5)cc4)cc3)cc2)cc1,,0.36901705,,,
+1969822510,*CCc1ccc(*)c(CCCC)c1,,0.39722229,,,
+1969835968,*C(=O)Nc1ccc(C2(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)CCC(C(C)(C)C)CC2)cc1,,0.38391661,,,
+1970056455,*Nc1cc2c3cccc(-c4ccc(C)cc4)c3c3c(-c4ccc(C)cc4)c(N*)c4ccccc4c3c2c2ccccc12,,0.38290568,,,
+1970556387,*Oc1cccc(NC(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)cc2)c1,,0.35216883,,,
+1970744006,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC3CC2C2C4CCC(C4)C32)cc1,,0.37460046,,,
+1971561670,*CCCCCCNC(=O)CCCCC(=O)N*,,0.33903345,,,
+1971686624,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37362004,,,
+1971749373,*Oc1ccc(C(*)=O)cc1CCCCCC,85.05865655,,,,
+1971998855,*Cc1cccc(COC(=O)Nc2ccc(Cc3ccc(NC(=O)O*)cc3)cc2)c1,,0.34243796,,,
+1972024406,*CC(COC(=O)O*)OCCCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1,,0.3517257,,,
+1972032416,*c1ccc(C(=O)OCCCCCCCCOc2ccc(C=C3CCC(=Cc4ccc(OCCCCCCCCOC(=O)c5ccc(-c6nnc(*)o6)cc5)cc4)C3=O)cc2)cc1,,0.3617754,,,
+1972109782,*c1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N4C(=O)CC(SCCOCCSC5CC(=O)N(*)C5=O)C4=O)cc3)cc2)cc1,,0.33390562,,,
+1972780662,*CC(*)C(=O)OCCOCC,,0.35976017,,,
+1973157365,*Oc1cc(Oc2ccc(C(C)(C)c3ccc(*)cc3)cc2)cc([N+](=O)[O-])c1,,0.37041921,,,
+1973279343,*CCCCCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,,0.35672203,,,
+1973417069,*C=CC1CC(*)C2C(=O)N(c3ccc(F)cc3)C(=O)C12,,0.37471023,,,
+1973609313,*Nc1cccc(C2(c3cccc(N*)c3N)c3ccccc3-c3ccccc32)c1N,,0.37482883,,,
+1974222133,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(-c4cc(C)c(*)c(C)c4Br)c(Br)c3C)cc2)cc1,,0.41770931,,,
+1974242688,*c1ccc(C)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.39299942,,,
+1974258183,*CCCOCCCCOCCCN1C(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)c(-c4ccccc4)c3)cc2C1=O,,0.34408624,,,
+1974383215,*CCCCCCCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.35929701,,,
+1974978740,*C=C(*)c1c(C)cc(C(C)(C)C)cc1C,,0.44377353,,,
+1975082239,*c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ncnc(N(*)c3ccccc3)n2)n1,,0.41510699,0.185,1.133996819,15.96371163
+1975447756,*CCOC(=O)c1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C(=O)O*)cc2)cc1,14.08686284,,,,
+1975514366,*c1cccc(OCCCCOc2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.34563212,,,
+1975880565,*Oc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)Nc6ccc(*)cc6)cc5)cc4-c4ccccc4)cc3)cc2)cc1-c1ccccc1,,0.36793579,,,
+1976024514,*Nc1ccc(C(c2ccc(N*)cc2)C2CCCCC2)cc1,,0.36335791,,,
+1976774043,*CCCCCCOc1ccc(C(=O)N(C(=O)c2ccc(O*)cc2)c2cccc3ccccc23)cc1,,0.37512174,,,
+1977447931,*Nc1cccc(C2(c3cccc(N*)c3)c3cc(N)ccc3-c3ccc(N)cc32)c1,,0.36514594,,,
+1978316297,*Nc1ccc(-c2cc(N*)cc(-c3cccc(N)c3)c2)cc1,,0.34498231,,,
+1978540220,*C(=O)OCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.34266185,,,
+1978620404,*CC(*)CCCCCCCCCCCCCCCCCC,,0.40805705,0.381,,
+1978702733,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)c(C(OC)(C(F)(F)F)C(F)(F)F)c4)cc3C(OC)(C(F)(F)F)C(F)(F)F)cc2)cc1,,0.37975399,,,
+1978759933,*CCC1C(=O)N(CCCCCCCCCCCCCC)C(=O)C1*,,0.38602412,,,
+1978914025,*c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(Oc7ccc(-c8c(-c9ccccc9)c(-c9ccccc9)c(*)c(-c9ccccc9)c8-c8ccccc8)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4C3=O)cc1)C2=O,,0.40149442,,,
+1978930507,*C(=C(*)c1ccc([Si](C(C)C)(C(C)C)C(C)C)cc1)c1ccccc1,,0.45051401,,,
+1979011181,*c1ccc(Oc2ccc(-c3nc(-c4cccc(-c5nnc(-c6ccccc6)c(*)n5)n4)nnc3-c3ccccc3)cc2)cc1,,0.41817078,,,
+1979505726,*c1cccc(S(=O)(=O)NCCCCCCNS(*)(=O)=O)c1,,0.34906326,,,
+1979525193,*OC1CCC(OC(=O)C(*)=O)CC1,,0.33792482,,,
+1979934753,*c1nnc(-c2ccc(Oc3ccc(C=Cc4ccc(Oc5ccc(*)c6ccccc56)cc4)c4ccccc34)c3ccccc23)o1,,0.38836559,,,
+1979939370,*Nc1ccc(C2(c3ccc(N*)cc3)c3cc(C#CCCCC)ccc3-c3ccc(C#CCCCC)c(C#C)c32)cc1,,0.39588749,,,
+1980536603,*CCc1ccc(-n2on2-c2ccc(CCOC(=O)CCCCCCC(=O)O*)cc2)cc1,17.91289325,,,,
+1981136743,*OC(COCCOC)COC(*)=O,,0.33674194,,,
+1981457097,*Oc1cccc(Oc2ccc(C(=O)c3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(C(=O)c6ccc(*)cc6)cc5)c4)cc3)cc2)c1,,0.35415935,,,
+1981691204,*Nc1ccc(/C=C(/c2ccc(N*)cc2)c2cccc(C)c2)cc1,,0.3641488,,,
+1981721677,*NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(*)=O,,0.33486234,,,
+1981870695,*Nc1nc(=S)[nH]c(N*)c1N,,0.30575132,,,
+1981886524,*c1ccc(Oc2ccc(C=Cc3ccc(Oc4ccc(-c5nnc(*)o5)cc4)c4ccccc34)cc2)cc1,,0.38751411,,,
+1982249582,*C#CC(CCCCOC(=O)NCCC)=C(*)CCCCOC(=O)NCCC,40.70123878,,,,
+1982444634,*Oc1ccc(P(C)(=O)c2ccc(Oc3ccc(C(c4ccccc4)(c4ccc(*)cc4)C(F)(F)F)cc3)cc2)cc1,,0.38583407,,,
+1982948729,*CCOCCOCCOc1ccc(C=Cc2cc(OC)c(C=Cc3ccc(O*)c4ccccc34)cc2OC)c2ccccc12,,0.35883,,,
+1983222428,*c1ccc(NC(=O)c2ccc(OCCOc3ccc(C(=O)Nc4ccc5[nH]c(*)nc5c4)cc3)cc2)cc1,,0.35057029,,,
+1984190839,*CCC=C(*)Cl,,0.39969952,,,
+1984350149,*CCN(CCOC(=O)Nc1ccc(C)c(NC(=O)O*)c1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C)c(C)c1,,0.35034244,,,
+1984402033,*CCCCCCCCCCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(-c6c(-c7ccccc7)cc(-c7ccc(O*)cc7)cc6-c6ccccc6)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1,,0.37093746,,,
+1984563739,*Oc1cccc(NC(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc(Oc6ccc(C(=O)Nc7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)c1,,0.3657163,,,
+1984715605,*CC(O*)C(C)(C)C,,0.38045208,,,
+1985260994,*c1cc(CCCCCCCCCCCC)c(*)cc1CCCCCCCCCCCC,,,0.356,0.832338804,11.74161872
+1985598557,*CCCCCCCCCCCCCCOC(=O)CC/C=C/CCC(=O)O*,,,0.318,,
+1985922935,*O[Si](Oc1ccc(C2(c3ccc(*)c(C)c3)c3ccccc3-c3ccccc32)cc1C)(c1ccccc1)c1ccccc1,,0.42654959,,,
+1986596083,*Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,0.37091034,,,
+1986643136,*c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(*)ccc1-2,,0.4176963,,,
+1986951321,*Oc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C(c5ccc(*)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2)cc1,,0.35696671,,,
+1987297108,*CC(*)(C)C(=O)Oc1ccc(C(=O)OC)cc1,,0.33216316,,,
+1987380350,*CCCCCCCCCCCCCNC(=O)CCCCCCCCCCCC(=O)N*,,0.37680906,0.3835,0.900220523,22.20373128
+1987420560,*Oc1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(*)cc4)c3)cc2)cc1S(=O)(=O)O,,0.36037958,,,
+1987532740,*Nc1cc2c3ccccc3c(N*)cc2c2ccccc12,,0.3388047,,,
+1987791441,*C=CC1CC(*)C2C(=O)N(CCCCCC)C(=O)C12,,0.36643423,,,
+1987932881,*Oc1c(OC)cc(-c2cc(OC)c(OC(=O)CCCCCCCCC(*)=O)c(OC)c2)cc1OC,,0.35167826,,,
+1988065987,*CCCCCCOP(=O)(N=Nc1ccc(-c2ccc(N=NP(=O)(O*)OC)cc2)cc1)OC,,0.36135767,,,
+1988157490,*C(=O)c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C(=O)c6ccc7c(c6)C(=O)N(c6ccc(Cc8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc6)C7=O)cc5)cc4)OC(=O)c4ccccc43)cc2)cc1,,0.38151091,,,
+1988158741,*NC1=C(c2c(N*)ccc3ccccc23)[C@@H]2C=CC=CC2=CC1,,0.35485105,,,
+1988515420,*C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc3)C4=O)cc2)cc1,,0.3587615,,,
+1988563349,*CCCCCCOP(=O)(N=Nc1ccc(CCOC(=O)c2cc(C(=O)OCCc3ccc(N=NP(=O)(O*)OC)cc3)cc(C(C)(C)C)c2)cc1)OC,,0.36086299,,,
+1988613729,*c1ccc(Nc2cccc(Nc3ccc(S(*)(=O)=O)cc3)c2)cc1,,0.38606656,,,
+1988695621,*C=Cc1cc(OCCCC)c(*)cc1OC,,0.38141349,,,
+1989009104,*Nc1ccc(Cc2ccc(NC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.35067325,,,
+1989599237,*c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1OC(=O)C13CC4CC(CC(C4)C1)C3)C2=O,,0.39735492,,,
+1991040777,*C(OC(F)(F)F)C(*)(F)F,,0.31744193,,,
+1991510657,*Oc1ccc(Oc2ccc(C(=O)c3ccc(*)cc3)cc2)cc1C(C)(C)C,,0.38863246,,,
+1991701752,*C1C(*)C2CC1C(C(=O)OCCCc1ccccc1)C2C(=O)OCCCc1ccccc1,,0.35924036,,,
+1991992647,*CC(CC)(CO)CO*,,0.3383421,,,
+1992818207,*Oc1ccc(C(C)(C)c2ccc(OC(=O)OCC3CCC(COC(*)=O)CC3)cc2)cc1,,0.35273302,,,
+1992987283,*CC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)CN2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(*)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1,226.7602549,,,,
+1993503133,*Oc1ccc(C=C2CCCC(=Cc3ccc(OC(=O)c4cccc(C(*)=O)c4)c(OC)c3)C2=O)cc1OC,,0.35590759,,,
+1994005610,*c1cccc(C(F)(F)C(F)(F)C(*)(F)F)c1,,0.35942273,,,
+1995309810,*NNC(=O)c1ccccc1C(=O)Nc1cccc(C=C2CCC(=Cc3cccc(NC(=O)c4ccccc4C(*)=O)c3)C2=O)c1,,0.3556635,,,
+1995487445,*CC(*)(C)C(=O)OCCO[Si](C)(C)C,,0.40711704,,,
+1995567642,*CC(*)c1ccc(C(=O)CCN2CCOCC2)cc1,,0.35976341,,,
+1995858685,*NC(C)CNC(=O)NCCCCCCNC(*)=O,55.35434565,,,,
+1995899423,*Oc1ccc(CC(NC(=O)Cc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCC)cc1,,0.33327297,,,
+1997329694,*CCCCCCCCCCCCCCCCOC(=O)C/C=C/CC(=O)O*,,0.37864549,0.315,,
+1997475828,*CC(*)CCCCCC,,0.40777595,0.238,,
+1997665708,*Nc1ccc2c(c1)[C@]1(c3ccccc3-2)c2ccccc2-c2ccc(N*)c(-c3ccccc3)c21,,0.377512415,,,
+1997781379,*OP(=O)(Oc1ccccc1)Oc1c(C)cc(S(=O)(=O)c2cc(C)c(*)c(C)c2)cc1C,,0.3661802,,,
+1998038943,*c1ccc(N2C(=O)CC(C3C=C(C)C4C(=O)N(*)C(=O)C4C3)C2=O)cc1,,0.38067827,,,
+1998309406,*c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6nc7cc(S(=O)(=O)c8ccc9nc(-c%10ccccc%10)c(*)nc9c8)ccc7nc6-c6ccccc6)cc4)C5=O)cc3C2=O)cc1,,0.41300079,,,
+1998608102,*CC(*)(C)C(=O)OCCCCCCCCCCOc1ccc(C#Cc2cc(C)c(C=Cc3ccncc3)cc2C)cc1,,0.38135827,,,
+1999110043,*CC(*)(C#N)C(=O)OCC(C)C,,0.37373522,,,
+1999630530,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(*)cc5)CCCC4)cc3)cc2)cc1,,0.37454618,,,
+1999832779,*Oc1ccc(S(=O)(=O)c2cccc3c(S(=O)(=O)c4ccc(Oc5c(C)cc(-c6cc(C)c(*)c(C)c6C)c(C)c5C)cc4)cccc23)cc1,300.6954413,,,,
+2000269306,*C/C=C\C[Si](*)(C)CCCOc1ccccc1,,0.37468563,,,
+2000354912,*Nc1ccc([C@@]2(C)CC(C)(C)c3ccc(N*)c(C)c32)cc1C,,0.37566233,,,
+2000390968,*CC(*)(C)C(=O)OC1CCC1,,0.36717327,,,
+2000404932,*CC(*)(C)C(=O)OCCCCCCOc1ccc2cc(C(=O)Oc3ccccc3)ccc2c1,,0.35117887,,,
+2001829595,*Nc1ccc([C@@H](C)CC(C)(C)c2ccc(N*)cc2)cc1,,0.35096863,,,
+2001832914,*Oc1ccc(C(C)(C)c2ccc(OC(=O)CN(CC(*)=O)c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1,,,0.244,1.157411669,16.76101041
+2002181530,*c1cccc(N2C(=O)c3ccc(Oc4cccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)c4)cc3C2=O)c1,,0.35648085,,,
+2002293555,*CCCCCCCCCCCSCCCCCCCCCCS*,,,0.352,,
+2002425196,*CC(*)(C)C(=O)OCCCCCCCCCCn1c2ccccc2c2cc(C=C(C#N)c3ccc([N+](=O)[O-])cc3)ccc21,,0.3617365,,,
+2002464485,*Nc1ccc(-c2c(N*)ccc3ccccc23)cc1,,0.34543683,,,
+2002874744,*CCCCCCCCCCCc1nc2ccc(-c3ccc4nc(*)oc4c3)cc2o1,,0.37454114,,,
+2002898366,*Nc1ccc2c(-c3ccccc3)c(N*)ccc2c1-c1ccccc1,,0.35542966,,,
+2002993449,*CC(*)NC(=O)OC(C)(C)C,,0.36612133,,,
+2003072511,*Nc1ccc(NC(=O)c2cc(C(*)=O)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)cc1,235.6895845,,,,
+2003251624,*Oc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(C(=O)Oc5ccc(OC(=O)c6cccc(C(*)=O)c6)cc5)cc4)cc3)cc2)cc1,119.4238893,,,,
+2003333074,*CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,0.37842036,0.381,,
+2003821691,*C1C(=O)N(c2cc(Br)c(O[Si](CC)(CC)CC)c(Br)c2)C(=O)C1*,,0.42330372,,,
+2004147185,*CC(*)(CC(=O)OCCCCCCC)C(=O)OCCCCCCC,,0.38365749,,,
+2004174775,*C=Cc1ccc2c(c1)C(CCCCCCOc1ccc3ccc(=O)oc3c1)(CCCCCCOc1ccc3ccc(=O)oc3c1)c1cc(C=Cc3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(*)ccc3-4)ccc1-2,,0.3721787,,,
+2004281729,*CC(*)c1cc(C)ccc1C,,,0.173,0.907377009,13.45177375
+2004522316,*C(=O)Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)c4ccc(N5C(=O)c6ccc(*)cc6C5=O)cc4)cc2)C3=O)c(C(C)(C)C)c1,,0.37267294,,,
+2004781454,*Nc1ccc(C2CCCCC2)c(C2CCCCC2)c1N*,,0.37629915,,,
+2004817978,*CCCCCCCCCCCCNC(=O)CCP(C)(=O)CCC(=O)N*,,0.35766138,,,
+2004822166,*CC1CCCC(CN2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(*)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)C1,,0.36224817,,,
+2005210923,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(Oc8ccc(Oc9ccc(Oc%10ccc%11c(c%10)C(=O)N(*)C%11=O)cc9)cc8)cc7C6=O)cc5)cc4)c3)cc2)cc1,,0.36312657,,,
+2005402308,*CC(C)(C)COC(=O)CCCCCCCC(=O)O*,17.01342593,,,,
+2005457521,*CCCC(=O)O*,,0.32557378,,,
+2005551662,*C1C2CC(CCCCc3ccccc3)C(C2)C1*,,0.36435732,,,
+2005844572,*NC1=Cc2c(c3ccc(N*)cc3c3ccccc23)C[C@@H]1c1ccccc1,,0.34384971,,,
+2006295259,*Sc1cc(C)c(*)cc1C,,0.42409378,,,
+2006448599,*c1ccc2c(c1)C(=O)N(c1c(C)cc(C3(c4cc(C)c(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C)c4)c4ccccc4-c4ccccc43)cc1C)C2=O,,0.44643789,,,
+2006513781,*Nc1ccc(C(c2ccc(N*)cc2)[C@@H](CCC)[C@H]2CC[C@H](/C=C/[C@H]3CC[C@H](C(C)C)CC3)CC2)cc1,,0.37803401,,,
+2006683718,*CC(*)C(=O)c1ccc(C)cc1,,0.38303868,0.1975,1.017121715,11.41539018
+2006821254,*Oc1ccc(OC(*)=O)cc1,105.0499992,,,,
+2006996474,*CCCCCCCCCCOC(=O)NCc1ccc(CNC(=O)O*)cc1,,0.34727776,,,
+2007281733,*c1cc(CCCCCCCCCC)c(*)s1,,0.41339329,,,
+2007312638,*Oc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1,,0.37573653,,,
+2007560490,*c1ccc2oc(-c3ccc(-c4nc5cc(C(*)(C(F)(F)F)C(F)(F)F)ccc5o4)cc3)nc2c1,,0.45097253,,,
+2007665966,*OCC(F)(F)C(F)(F)C(F)(F)COc1nc(F)nc(*)c1F,,0.34008549,,,
+2007994317,*CC(C)(C)COC(=O)Cc1ccc(C(=O)O*)cc1,,0.35161343,,,
+2008537603,*C=C(*)c1ccccc1,66.12991425,,,,
+2008605500,*CC(C)(CO*)COCCC#N,,0.38263098,,,
+2008709540,*Nc1cc(-c2c(N*)ccc3ccccc23)c(N)cc1[C@@H]1c2ccccc2C=C[C@H]1N,,0.34308661,,,
+2009603005,*Nc1cccc(-c2cccc3ccccc23)c1N*,,0.34900624,,,
+2009816260,*Nc1ccc2ccc3c(N*)c(-c4ccccc4)c(-c4ccccc4)c4ccc1c2c34,,0.36314793,,,
+2010311547,*Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(=O)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.36073846,,,
+2010970125,*NCC(C)(C)N*,,0.32677864,,,
+2011509747,*c1ccc(C=C2CCCC(=Cc3ccc(-c4csc(NC(=O)NCCCCCCNC(=O)Nc5nc(*)cs5)n4)cc3)C2=O)cc1,47.02441211,,,,
+2011999310,*OC(COCCCC)COC(*)=O,,0.35933677,,,
+2012503945,*CC(*)OCCOc1ccc(C=C(C#N)C(=O)OC)cc1,,0.34910915,,,
+2012816779,*OP(=O)(Oc1ccccc1)Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,,0.34868252,,,
+2013254124,*CC(O)COc1ccc(C(C)(c2ccccc2)c2ccc(O*)cc2)cc1,,0.35423156,,,
+2013412684,*Nc1ccc(NC(=O)c2cc(SCCCCCCCC)c(C(*)=O)cc2SCCCCCCCC)cc1,69.67482713,,,,
+2014114432,*c1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(-c6c7c(c(*)c8ccccc68)C(=O)N(C)C7=O)cc5)cc4)c3)cc2)cc1,,0.37310295,,,
+2014263245,*OC(F)(F)C(F)(F)C(F)(F)C(*)(F)F,,0.3276198,,,
+2014301760,*CCOCCOCCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(O*)c3)c2)c1,,0.33785763,,,
+2014418725,*c1cc(CCCCCCCCCCCCCCCC)c(*)[nH]1,,,0.4075,0.866052711,14.71408344
+2014622631,*CC(*)c1cccc(Cl)c1,,,0.14175,1.095935741,14.9638119
+2014653068,*CC1CCC(COC(=O)NCCSCCCCCCSCCNC(=O)O*)CC1,,,0.24,,
+2014740524,*CC(*)OC(=O)c1ccc(CC)cc1,,0.37318074,,,
+2015016927,*Oc1ccc(S(=O)(=O)c2ccc(OC(=O)OC3C(C)(C)C(OC(*)=O)C3(C)C)cc2)cc1,,0.3572516,,,
+2015176684,*CCCCCCNC(=O)c1ccc(C(=O)N*)c(Oc2ccc(-c3ccccc3)cc2)c1,,0.35011454,,,
+2015484909,*CCCCCCOC(=O)OCCCCCCCCCOC(=O)OCCCCCCOc1ccc(Oc2ccc(O*)cc2)cc1,,0.35651223,,,
+2015550348,*C(=O)c1ccc(C(=O)N(CC)c2ccc(-c3ccc(N(*)CC)cc3)cc2)cc1,62.56896406,,,,
+2015619350,*C(=O)OCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.33665398,,,
+2015647676,*CCCCCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C(=O)O*)cc2)cc1,-26.12929226,,,,
+2015742836,*C(=O)NCCCCCCNC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.33363359,,,
+2016514618,*c1cccc(CCCOc2cccc(N3C(=O)c4cccc(-c5ccc6c(c5)C(=O)N(*)C6=O)c4C3=O)c2)c1,,0.35569719,,,
+2016694996,*N=P(*)(OCCCCCCCCCC)OCCCCCCCCCC,,0.40515813,,,
+2016828093,*O[Si](*)(C)CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4cc(OCCCCC)c(OCCCCC)c(OCCCCC)c4)cc3)cc2)cc1,,0.36863152,,,
+2017537150,*CC(F)(F)C(F)(F)COC(=O)NCCCCCCNC(=O)O*,,0.32427748,,,
+2017623024,*CCCCCCCCCCc1nc2ccc(-c3ccc4nc(*)oc4c3)cc2o1,,0.37701196,,,
+2018770254,*c1ccc(OC(=O)c2ccc([Si](C)(C)c3ccc(C(=O)Oc4ccc(C5(*)OC(=O)c6ccccc65)cc4)cc3)cc2)cc1,,0.37413124,,,
+2019089439,*Oc1ccc(Oc2ccc(Oc3cccc(C(=O)Oc4ccc(-c5ccc(OC(=O)c6cccc(*)c6)cc5)cc4)c3)cc2)cc1,,0.35465002,,,
+2019160480,*c1cccc(C(c2cccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)c1,,0.37386438,,,
+2019662589,*CC(*)c1ccc(COc2ccc(-c3ccc(-c4ccc(-c5ccc(CCCCCC)s5)s4)c4nsnc34)cc2)cc1,,0.38938672,,,
+2019749596,*Nc1ccc2cccc3c2c1C=C[C@@H]3N*,,0.32848339,,,
+2020299176,*Oc1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(Oc5ccc(C(=O)c6ccc(S(=O)(=O)c7ccc(C(=O)c8ccc(*)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.36431498,,,
+2020359190,*SC1CCCCC1*,,0.39542833,,,
+2020708371,*CCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)O*,,,0.319,,
+2020818351,*OP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(C(C)(C)c2ccc(*)cc2)cc1,,0.36942228,,,
+2020857359,*C1C(*)C2CC1C(C(=O)OCC1CC3CCC1C3)C2C(=O)OCC1CC2CCC1C2,,0.3915968,,,
+2020969412,*Nc1ccc(Cc2ccc(NC(=O)c3cc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cc(C(*)=O)c3)cc2)cc1,,0.33946762,,,
+2021130143,*Nc1ccc([C@]2(C)CC(C)(C)c3cc(N*)c(N)c(N)c32)c(N)c1N,,0.35556128,,,
+2021290286,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4ccc5cc(C(=O)c6ccc(Oc7ccc(N8C(=O)c9ccc(*)cc9C8=O)cc7)cc6)ccc5c4)cc3)cc1)C2=O,,0.3742742,,,
+2021383868,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(-c4cc(-c5ccccc5)cc(-c5cccc(Oc6ccc(N7C(=O)c8ccc(C(*)(C(F)(F)F)C(F)(F)F)cc8C7=O)cc6)c5)n4)c3)cc1)C2=O,,0.3772372,,,
+2021473660,*CCOC(=O)CCCCCCCCCCC(=O)OCCOC(=O)c1ccc(C(=O)O*)cc1,,0.34409739,,,
+2021478343,*CCC1C(=O)N(CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C1*,,0.31483442,,,
+2022011396,*Oc1ccc(Oc2ccc(Nc3ccc(S(=O)(=O)c4ccc(Nc5ccc(*)cc5)cc4)cc3)cc2)cc1,,0.39625118,,,
+2022159696,*CCNC(=O)c1ccc(C(=O)NCCOc2ccc3c(O*)cccc3c2)cc1,,0.33252314,,,
+2022505233,*CC(*)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0.32766063,,,
+2023609610,*Nc1ccc2ccc(N*)c3c4cccc5cccc(c1c23)c54,,0.33884923,,,
+2023841912,*c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.3587456,,,
+2024518785,*Nc1ccc2c3ccc(N*)c4cccc(c5cccc1c52)c43,,0.33265387,,,
+2024524302,*CC(*)c1cc(OC)c(O)c(OC)c1,,0.32962822,,,
+2024808471,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,,0.33493908,,,
+2024926859,*Nc1ccc(C2(c3ccc(N*)cc3)Cc3ccc(cc3)C2)cc1,,0.34766302,,,
+2025206311,*NC1=C2C=CC=C[C@@H]2[C@@](N*)(c2c(C)cc(N)c3ccccc23)C(C)=C1,,0.36137025,,,
+2025276311,*C/C=C\C[Si](*)(C)CCCOc1ccc(-c2ccccc2)cc1,,0.36376356,,,
+2025508516,*Oc1cccc(C(*)=O)c1,,0.34146211,,,
+2025809998,*OC(Cc1ccccc1)C(*)=O,,0.35974569,,,
+2025970688,*CCCCCCCCCCCCNC(=O)C(OC)C(OC)C(=O)N*,,0.36064464,,,
+2026398041,*c1cccc(N2C(=O)c3cccc(Oc4ccc(Oc5cccc6c5C(=O)N(*)C6=O)cc4)c3C2=O)c1,,0.35986411,,,
+2026422493,*c1ccc(Oc2cc3ccccc3cc2Oc2ccc(N3C(=O)c4ccc(S(=O)(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37064659,,,
+2026602715,*Oc1ccc(CC2(Cc3ccc(*)cc3)c3ccccc3-c3ccccc32)cc1,,0.38673574,,,
+2026869258,*c1ccc(Oc2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.37709986,,,
+2026975698,*CC(*)(C)C(=O)OCCCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35100241,,,
+2027806037,*C[Si](*)(C)CCCn1c2ccccc2c2ccccc21,,0.36146235,,,
+2028307602,*Nc1cc2c(cc1N*)C1(CC1)CC2(C)C,,0.36330601,,,
+2028500149,*CC(*)CCC1CCCCC1,,,0.2176666666666666,,
+2028527037,*Cc1ccc(CSS*)cc1,,0.40158924,,,
+2028683291,*CC(=O)Nc1ccc(C2(c3ccc(NC(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3)c3ccccc3-c3ccccc32)cc1,,0.36284889,,,
+2029399840,*CCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.3346262,,,
+2030056583,*CC(*)C(=O)N(C(C)C)C(C)C,,,0.1865,0.844059103,11.58798505
+2030717926,*CCCCCCC(=O)NCCCCCCNC(=O)CCCO*,1.467345964,,,,
+2030734021,*Oc1ccc(NC(=O)c2c(F)c(F)c(C(=O)Nc3ccc(*)cc3)c(F)c2F)cc1,168.6168885,,,,
+2031010727,*CC(*)c1ccc(C(=O)OCCCCCC)cc1,,0.37921152,,,
+2031068763,*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)cc3)cc2)cc1-c1ccccc1,,0.38107447,,,
+2031096142,*Oc1ccc(Oc2ccc(OC(=O)c3cccc(Oc4ccc(Oc5cccc(C(*)=O)c5)cc4)c3)cc2)cc1,,0.35436946,,,
+2031152163,*c1ccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5cccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)c5)cc4)cc3C2=O)cc1,,0.37049123,,,
+2031378457,*CC(*)CCC(C)CC,,,0.229,0.791153015,11.37248496
+2031413397,*CCN(CCOC(=O)c1cc(OC2CCN(c3ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)CC2)cc(C(=O)O*)c1)c1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,,0.34244923,,,
+2031789072,*CC(*)CNc1ccc([N+](=O)[O-])cn1,,0.37295814,0.192,1.22830711,12.89532483
+2032432464,*CCC(C(=O)OC)C(*)C(=O)OC,,0.33473342,,,
+2032438783,*Nc1ccc2c(c1)[C@@]1(c3ccccc3-2)c2ccccc2-c2cccc(-c3ccccc3N*)c21,,0.3737942,,,
+2033020840,*CC(C)(C)CS(=O)(=O)CC(C)(C)COC(=O)NCCCCCCNC(=O)O*,,0.3457558,,,
+2033581658,*C1C(*)C2CC1C(C(=O)OCCC1CC3CCC1C3)C2C(=O)OCCC1CC2CCC1C2,,0.38027867,,,
+2033646210,*Nc1cccc(-c2cc(-c3ccccc3C)c(-c3ccccc3C)c(-c3ccccc3)c2-c2ccccc2)c1N*,,0.3749928,,,
+2033898259,*Cc1ccc(CNC(=O)CCCCCCCCCCCCCCCCC(=O)N*)cc1,,0.36245212,0.3299999999999999,0.962041851,19.70952259
+2034204725,*CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,,,0.3873333333333333,0.892460081,24.81577292
+2034484019,*Oc1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCOc3ccc(C(*)=O)cc3)cc2)cc1S(=O)(=O)c1ccccc1,,0.36220577,,,
+2035254874,*CCCCCCCCCCNC(=O)C=C(C)C(=O)N*,,0.35574403,,,
+2035543497,*CCCCNC(=O)c1cccc(C(=O)N*)c1,,0.32480195,,,
+2035696631,*Nc1ccccc1C1(c2cc(C(C)(C)C)ccc2N*)CCCCC1,,0.37402396,,,
+2035735306,*Oc1ccc(P(C)(=O)c2ccc(*)cc2)cc1,,0.38176997,,,
+2035749307,*CC(*)OC(=O)c1ccc(OC(=O)CC)cc1,,0.34337593,,,
+2035906358,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(-c5nnc(*)c6c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c(-c7ccc(F)cc7)c56)cc4)cc3)cc2)cc1,,0.4058732,,,
+2036221295,*Nc1ccc(C(c2ccc(N)cc2)c2ccc(N*)cc2)cc1,,0.35715159,,,
+2036690814,*C(CC)=C(*)c1ccccc1,,0.40534286,,,
+2036937559,*Nc1ccc(-c2ccc(N*)cc2-c2ccc(C(C)(C)C)cc2)cc1,,0.3670132,,,
+2036966102,*C(*)O,,0.24565388,,,
+2037050348,*NCc1ccc(CN*)cc1,,0.320806375,,,
+2037235529,*Nc1nc(N*)nc(N(C)C)n1,,0.33908484,,,
+2037427343,*Nc1ccc(-c2c(-c3ccc4ccccc4c3)c(-c3ccc4ccccc4c3)c(N*)c(-c3ccc4ccccc4c3)c2-c2ccc3ccccc3c2)cc1,,0.36989415,,,
+2037755126,*Oc1ccc(S(=O)(=O)c2ccc(Oc3c(C)cc(C(c4cc(C)c(*)c(C)c4)(C(F)(F)F)C(F)(F)F)cc3C)cc2[Si](C)(C)C)c([Si](C)(C)C)c1,,0.41286543,,,
+2038032102,*Cc1ccc(COC(=O)Cc2ccc(C(=O)O*)cc2)cc1,,0.34236476,,,
+2038593828,*CCCCCCCCCCOC(=O)NCCCCCCCCCCNC(=O)O*,,,0.316,,
+2038600003,*CC(*)(C)C(=O)OCc1cccc(Cl)c1,,0.3685976,,,
+2038692066,*C=C(*)c1ccccc1[Ge](C)(C)C,,0.44377353,,,
+2038784698,*Nc1ccc(*)cc1CC,162.1855704,,,,
+2038813510,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(*)cc5C4=O)c(C(C)(C)C)c3)cc1C(C)(C)C)C2=O,,0.4037542,,,
+2039137441,*C(*)CC,,,0.206,,
+2039185015,*C1OCOC(C(*)(F)F)C1(F)F,,0.31802359,,,
+2039265517,*NCC1=Cc2c(N*)ccc3cccc(c23)C1,,0.33495644,,,
+2039296323,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(-c5nnc(*)c6c(-c7ccccc7)c(-c7ccc8ccccc8c7)c(-c7ccc8ccccc8c7)c(-c7ccccc7)c56)cc4)cc3)cc2)cc1,,0.40570846,,,
+2039689406,*CC(*)(C)c1nc(N(CCOCCOCCOC)CCOCCOCCOC)nc(N(CCOCCOCCOC)c2ccccc2)n1,,0.35963207,,,
+2040418137,*c1c(C)cc(Cc2cc(C)c(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5)cc4C3=O)c(C)c2)cc1C,,0.39213223,,,
+2040580299,*Oc1ccc(Oc2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,,0.37740838,,,
+2040837596,*CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O*,,,0.376,0.893790404,19.43446517
+2040930933,*Nc1ccc2ccc3c(N*)c(-c4cccc(C)c4)cc4ccc1c2c43,,0.34832984,,,
+2041026757,*c1cc(CCCC)c(*)s1,,0.4491673,,,
+2041864294,*c1ccc(OCCCCCCCCCCCOC(=O)c2ccc(C(=O)OCCCCCCCCCCCOc3cccc(-c4nnc(*)s4)c3)cc2)cc1,,0.37179476,,,
+2041930704,*c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(*)C9=O)cc7C6=O)cc5)cc4)cc3)cc2)cc1,,0.37294801,,,
+2042324873,*C=C(*)c1nc2ccccc2n1C,-6.104199835,,,,
+2042618640,*C=Cc1ccc2c3ccc(*)cc3n(-c3ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c3)c2c1,,0.38669468,,,
+2042805767,*c1ccc(Oc2ccc(-c3ccc(-c4ccc(-c5ccc(Oc6ccc(-c7c8c(c(*)c9ccccc79)C(=O)N(c7ccccc7)C8=O)cc6)c(C(F)(F)F)c5)cc4)cc3)cc2C(F)(F)F)cc1,,0.38592112,,,
+2042962957,*CC(*)c1cc(Br)ccc1OCCC,,0.4104551,0.136,,
+2042985265,*NCCc1c(N*)ccc2ccccc12,,0.33294897,,,
+2043343589,*c1ccc(-c2ccc(N3C(=O)c4ccc(-c5cccc6c5C(=O)N(*)C6=O)cc4C3=O)c(C)c2)cc1C,,0.38576498,,,
+2043894726,*c1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(-c6nnc(*)o6)cc5)cc4)c(Oc4ccccc4)c3)cc2)cc1,,0.36628379,,,
+2044319304,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(-c5c6c(c(*)c7ccccc57)C(=O)N(c5ccccc5-c5ccccc5)C6=O)cc4)cc3)cc2)cc1,,0.38414881,,,
+2044554925,*Nc1ccc2c(c1)[C@H]1CC[C@@H]2c2ccc(N*)cc21,,0.3658294,,,
+2044694871,*CC(CCCCCC)C(CCCCCC)COC(=O)c1ccc(C(=O)O*)cc1,,0.37457172,,,
+2044966386,*Nc1ccc([C@H](CC)c2ccc([C@@](CCC)(c3ccc([C@H](CC)c4ccc(N*)cc4C)cc3)C3CCCCC3)cc2)c(C)c1,,0.38839084,,,
+2045712230,*Nc1ccc2cccc3c2c1C(c1ccc(CCCC)cc1)=C(c1ccc(CCCC)cc1)[C@H]3N*,,0.3682026,,,
+2046153733,*Nc1ccc(C[C@@H](c2ccc(N*)cc2)C(c2cccc(N)c2)c2cccc(N)c2)cc1,,0.35616115,,,
+2046167476,*CCCCCCSCCCCCS*,,,0.241,,
+2046736007,*NC1=C(CC=C)[C@H](CC=C)c2cccc3ccc(N*)c1c23,,0.33818589,,,
+2046892348,*CCCCOc1ccc(C(=O)OC(=O)c2ccc(O*)cc2)cc1,,0.33643184,,,
+2046956333,*Nc1ccc(-c2ccc(N*)c(C(c3cc(-c4ccc(N)cc4)ccc3N)(c3cc(-c4ccc(N)cc4)ccc3N)c3cc(-c4ccc(N)cc4)ccc3N)c2)cc1,,0.34585373,,,
+2047082921,*Nc1cccc(NC(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc(C(*)=O)c2)c1,,0.3518154,,,
+2047303918,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6cccc(Oc7c(Oc8cccc9c8C(=O)N(*)C9=O)cc(C(C)(C)C)cc7C(C)(C)C)c6C5=O)cc4)cc3)cc2)cc1,,0.3876841,,,
+2047470696,*Nc1ccc2c(c1)C1c3cc(N)ccc3C2c2ccc(N*)cc21,,0.38546708,,,
+2047526312,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3cccc(NC(=O)CCCC(=O)Nc4cccc(O*)c4)c3)cc2)cc1,,0.33823192,,,
+2047662238,*C=CC(COCc1ccccc1)C(*)COCc1ccccc1,,0.36790087,,,
+2047820714,*CC(*)(C)C(=O)OCCCCCCCCOc1ccc(N=Nc2ccc(C#N)cc2)cc1,,0.37032483,,,
+2047965728,*CCCCCOC(=O)O*,,0.3428874,,,
+2048401412,*CC(*)c1ccc([Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1,,0.46187463,,,
+2048601766,*c1ccc(Sc2ccc(Sc3ccc(Sc4ccc(S(*)=O)cc4)cc3)cc2)cc1,,0.38833103,,,
+2049016668,*CCCCCCCCC(Cl)C(*)Cl,,0.39594162,,,
+2049074412,*O[Si](C)(C)CC[Si](*)(C)O[Si](C)(C)C,,0.47403099,,,
+2049185141,*NC(CC(*)=O)c1ccccc1,-30.79261317,,,,
+2049372451,*CCC([2H])C(*)([2H])C,,0.40087335,,0.8045306,19.33954208
+2049646481,*NNC(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cn2)C3=O)cc(C(=O)NNC(=O)CC(*)=O)c1,,0.33031505,,,
+2049675087,*OCCOC(=O)CCCC(=O)OCCOc1nc(-c2ccc(OCCCC)cc2)nc(*)c1-c1ccc(OC)cc1,,0.35340123,,,
+2049722638,*c1ccc(-c2ccc(-c3nc4cc5sc(*)nc5cc4s3)cc2)cc1,343.9030515,,,,
+2049724174,*Nc1cc2ccc3cc(N*)c(-c4ccccc4N)c4ccc(c1-c1ccccc1N)c2c34,,0.3574156,,,
+2050460955,*CC(*)(C)C(=O)OCCCCCCCCCCCOc1ccc(N=Nc2ccc(OC(=O)c3ccc4c(c3)OCCOCCOCCOCCO4)cc2)cc1,,0.35856938,,,
+2050550943,*C#CC(CCCCOC(=O)NCC(=O)OCCCC)=C(*)c1cncnc1,73.99227071,,,,
+2051195531,*c1ccc2nc(*)cc(-c3ccccc3)c2c1,,0.44585296,,,
+2051477971,*CCCCCCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1,,0.36034305,,,
+2052142146,*NC(N*)(C(=O)O)[C@@](N)(CC)[C@H](C)CC,,0.32721584,,,
+2052261609,*Nc1c(CC)cc2ccccc2c1-c1c(N*)c(CC)cc2ccccc12,,0.36951998,,,
+2052739724,*CC(*)(C)C(=O)OCCn1c2ccccc2c2cc(N=Nc3ccc([N+](=O)[O-])cc3)ccc21,,0.36133223,,,
+2053050930,*CC(=O)OC(=O)COc1ccc(O*)cc1,,0.31004011,,,
+2053127764,*C(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,143.0502256,,,,
+2053139068,*CCC1C(=O)N(CCCCCC)C(=O)C1*,,0.35708568,,,
+2053145171,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(C(=O)OC(c2ccccc2)c2ccccc2)c1,,0.35378729,,,
+2053208810,*c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6nc7cc(Oc8ccc9nc(-c%10ccccc%10)c(*)nc9c8)ccc7nc6-c6ccccc6)cc4)C5=O)cc3C2=O)cc1,,0.41165056,,,
+2053534445,*CC(CC(C)C)S(*)(=O)=O,,0.37757511,,,
+2053664112,*NCCN*,,0.30366476,,,
+2053842039,*C=Nc1ccc(N=Cc2cccc(*)n2)cc1,139.1234551,,,,
+2053942851,*CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,0.37997569,,,
+2054944349,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCC(*)=O)cc2)C(=O)OCCOCCOCC)cc1,,0.34633358,,,
+2055026518,*Oc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(Oc5ccc(-c6ccc(-c7ccc(*)cc7)cc6)cc5)cc4)cc3)cc2)cc1,,0.37441268,,,
+2055219346,*Oc1ccc(-c2ccc(OC(=O)c3ccc(C(*)=O)cc3Oc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1,135.0490958,,,,
+2055251139,*CC(*)(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,,0.33838791,,,
+2055325406,*C#CC(OS(=O)(=O)c1ccc(C)cc1)=C(*)OS(=O)(=O)c1ccc(C)cc1,164.1018919,,,,
+2056311741,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(P(=O)(c3ccccc3)c3cccc(N4C(=O)c5ccc(*)cc5C4=O)c3)c1)C2=O,,0.38469129,,,
+2057063340,*c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6ccc(-c7ccc(Oc8cccc9c8C(=O)N(*)C9=O)cc7)cc6)c5C4=O)cc3)c2)cc1,,0.361259,,,
+2057209972,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(*)cc5)C5CC6CC(C5)CC4C6)cc3)cc2)cc1,,0.38601547,,,
+2057275568,*CC(*)(C#N)C(=O)OCC,,0.35400751,0.1805,1.034280592,15.74241811
+2057370661,*c1ccc(OCCCCCCN(CC)c2ccc(C(C#N)=C(C#N)C#N)cc2)c(-c2cc(-c3ccccc3)c3cc(Oc4ccc5nc(*)cc(-c6ccccc6)c5c4)ccc3n2)c1,,0.38886127,,,
+2057806483,*CC(=O)O*,,0.29139366,,,
+2058153586,*Nc1ccc(-c2ccc(N*)cc2-c2ccccc2C(C)(C)C)cc1,,0.35895204,,,
+2058169887,*c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(-c4nc5ccccc5nc4*)cc3)cc2)cc1,,0.36797942,,,
+2058537463,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C5(*)OC(=O)c6ccccc65)cc4)cc3)cc2)cc1,,0.38030093,,,
+2058722180,*Nc1ccc2c(c1)C(/C(C)=C/C(=C)C(=C)c1ccccc1)(C(/C=C(\C)C(=C)c1ccccc1C)=C/C)c1cc(N*)ccc1-2,,0.359086085,,,
+2058912273,*c1cccc(C(=O)c2c(C)cc(C)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2C)c1,,0.3935505,,,
+2059069732,*Oc1cccc(Oc2ccc(C(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)c1,,0.35539719,,,
+2059156449,*NC[C@@H](CC(O)(COCCO)C[C@@H](N)CN)N*,,0.29619414,,,
+2059422357,*CCCCCCNC(=O)C(CCCCCCCCCCCCCCCC)C(=O)N*,,,0.3235,0.89124948,13.96037752
+2059649155,*CCN(*)C(=O)CCCCCCCCCCCCCCCCC,,0.39935287,0.4005,0.856888696,12.96507874
+2059802205,*c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4)cc3)cc2)cc1,,0.37114536,,,
+2060308564,*CCCCCCN1C(=O)C(=O)N(c2ccc(Cc3ccc(N4C(=O)C(=O)N(*)C4=O)cc3)cc2)C1=O,,0.33818344,,,
+2061363511,*O[Si](C)(C)c1ccc(-c2ccc([Si](*)(C)C)cc2)cc1,,0.40778557,,,
+2061931988,*Nc1cccc(-c2ccc(N*)c(-c3ccccc3)c2-c2ccccc2)c1-c1ccccc1,,0.36810011,,,
+2062389305,*C(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cccc(C(F)(F)F)c3)c3cc(C)c(N4C(=O)c5ccc(*)cc5C4=O)c(C)c3)cc1C)C2=O,,0.42825804,,,
+2062460228,*OC(C)CCOC(=O)C(CCCCCCOc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1)C(*)=O,,0.3535486,,,
+2062588877,*C/C=C\C[Si](*)(c1ccccc1)c1ccccc1,,0.36746772,,,
+2062611807,*CC(*)OC(=O)CCCCCCCCCCC,,,0.261,0.878322012,11.53444859
+2062868312,*Oc1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(*)c(-c4ccc(Oc5ccccc5)cc4)c3)ccc2C)cc1-c1ccc(Oc2ccccc2)cc1,,0.35573638,,,
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+2063026043,*c1ccc(-c2ccc(C(*)(C)C)cc2)cc1,210.9469969,,0.247,0.952850626,21.2582938
+2063396498,*Nc1cc2ccc3cc4ccccc4cc3c2cc1N*,,0.33601961,,,
+2063473981,*CC(*)C(=O)NCCCCCCCCCCCCCCCCCC,,,0.383,0.856385762,12.90114502
+2063616676,*C(=O)c1ccc2c(c1)C(=O)N(c1c(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccccc5)c(N5C(=O)c6ccc(*)cc6C5=O)c(-c5ccccc5)c4)cc3)cc1-c1ccccc1)C2=O,,0.41151687,,,
+2063798200,*Nc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N*)cc3)c2)cc1,,0.34830668,,,
+2064196181,*Cc1ccc(C(C)(C)c2ccc(CN3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)o2)o1,,0.35498107,,,
+2064758203,*CCCCCCNC(=O)c1cccc(C(=O)N*)c1,,0.33764857,,,
+2065005983,*Nc1cc(NC(=O)C(*)=O)ccc1C,,0.3160157,,,
+2065007908,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(-c4sc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)c(-c5ccccc5)c4-c4ccccc4)cc2)C3=O)c1,,0.38895508,,,
+2065090283,*CCOCCOC(=O)C(CCCCCCCCC)C(=O)O*,,0.37130804,0.224,,
+2065153152,*Nc1cc(OC)c(*)cc1OC,168.2573371,,,,
+2065252291,*CCCCCCC(=O)NCCCCCCNC(=O)CCCCCCO*,,,0.3215,0.964171286,21.61972619
+2065279499,*c1cc(C(=O)NCCCCCC)cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.37249776,,,
+2065383771,*Oc1ccc(C2(c3ccc(OC(=O)c4cccc(C(*)=O)c4)cc3)c3ccccc3-c3ccccc32)cc1,,0.37279646,,,
+2065621883,*c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cccc(C(F)(F)F)c3)c3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O,,0.42381981,,,
+2066065208,*CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COc3c(C)cc(C(C)(C)c4cc(C)c(O*)c(C)c4)cc3C)cc2)cc1,,0.36071143,,,
+2066192425,*CC(*)(CC(=O)OC(C)C)C(=O)OC(C)C,,0.37215507,,,
+2066262373,*CC1CCCC(CNC(=O)CCCCCCCCCCC(=O)N*)C1,26.18556129,,,,
+2066820207,*c1ccc(Oc2ccc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6)cc5C4=O)cc3)cc2)cc1,191.2304459,,,,
+2066955666,*c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5c(C)cc(Cc6cc(C)c(Oc7ccc8c(c7)C(=O)N(*)C8=O)c(C)c6)cc5C)cc4C3=O)cc2)cc1,,0.38651077,,,
+2067168064,*COC(=O)c1ccc(C(C#N)=C(c2ccc(OC)cc2)N2CCCC(*)C2)cc1,,0.37236843,,,
+2067238428,*CC(C)(C)COC(=O)c1ccc(C(=O)O*)cc1,,0.351598,,,
+2067309904,*c1ccc2c(c1)C(=O)N(c1ccc(OC(CCC)COc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.36517902,,,
+2067484299,*CC(*)C(=O)NCCCCCCCCCCCC,21.73577755,,0.3435,0.870895681,11.87004823
+2068061676,*Nc1ccc(-c2ccc(-c3ccc(N*)c(-c4ccccc4C)c3-c3ccccc3C)cc2)cc1,,0.37174868,,,
+2068076576,*Nc1ccc(C2c3ccc(N)cc3-c3cc(N*)ccc32)cc1,,0.36276266,,,
+2068084714,*C(=O)NCC(C)(C)CNC(=O)c1ncn(C)c1*,,0.33746625,,,
+2068351519,*Oc1ccc(C(=O)CCCCCCCCC(=O)c2ccc(OC(*)=O)cc2)cc1,6.568396994,,,,
+2068477355,*Cc1ccc(CNC(=O)CCCCCCCCCCCC(=O)N*)cc1,,0.35427449,,,
+2068736249,*Oc1ccc(OC(=O)c2cc(OCCCCCCCCOCC3CCCN3c3ccc([N+](=O)[O-])cc3)c(C(*)=O)cc2OCCCCCCCCOCC2CCCN2c2ccc([N+](=O)[O-])cc2)cc1,,0.35365329,,,
+2069332669,*Cc1ccccc1[Si](*)(C)c1ccccc1,,0.38506793,,,
+2069899879,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(C=NC(=S)Nc3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)ccc1Cl)C2=O,,0.36685025,,,
+2070158798,*Oc1ccc(OC(=O)c2ccc(C(*)=O)cc2Oc2ccc(Br)cc2)cc1,,0.36519909,,,
+2070291544,*CC(*)C(C)CC,,,0.1897499999999999,0.768938442,10.88423334
+2070641529,*c1ccc(C(=O)Oc2c(C)cc(C(c3cccnc3)c3cc(C)c(OC(=O)c4ccc(N5C(=O)CC(Nc6ccc(Cc7ccc(NC8CC(=O)N(*)C8=O)cc7)cc6)C5=O)cc4)c(C)c3)cc2C)cc1,,0.3762598,,,
+2070649419,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)cc3)CCC(C(C)(C)C)CC2)cc1,,0.37035787,,,
+2070663964,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cc(C(=O)O*)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1,,0.32423467,,,
+2070820503,*C(=O)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc4)C5=O)cc3)cc2)cc1,,0.37017356,,,
+2071087091,*Oc1ccc(C(C)(c2ccccc2)c2ccc(Oc3c(F)c(F)c(C(=O)c4c(F)c(F)c(*)c(F)c4F)c(F)c3F)cc2)cc1,,0.37735643,,,
+2071088939,*c1ccc(Oc2cccc(-n3c(=O)c4cc5c(=O)n(-c6cccc(Oc7ccc(-c8nc9cc%10sc(*)nc%10cc9s8)cc7)c6)c(=O)c5cc4c3=O)c2)cc1,,0.40063451,,,
+2071134178,*Nc1ccccc1/C(=C(\c1ccccc1)c1ccccc1N*)c1ccccc1,,0.37548101,,,
+2071365385,*CC(*)c1ccccc1C(F)(F)F,,0.37373278,,,
+2071704186,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccccc7Oc7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)cc4C(F)(F)F)cc3)cc2)c(C(F)(F)F)c1,,0.36566702,,,
+2071844706,*N1CCOC1(*)CC,,0.35941583,,,
+2071858672,*Nc1cc(C)c(Cc2ccc(CCCCCCCCCCCCCCCCCCc3ccc(Cc4c(C)cc(N*)cc4C)cc3)cc2)c(C)c1,,0.36539585,,,
+2072168111,*Nc1ccc(-c2ccc(N*)c([C@H]3C[C@H](C)CC[C@H]3C(C)C)c2[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1,,0.3809251,,,
+2072452393,*c1ccc2c(c1)C(=O)N(c1ccc(OCCOCCOCCOc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,,0.34535563,,,
+2072866385,*CCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,0.37538316,0.3955,0.910662796,20.51606091
+2072955704,*CC(*)(C)OC,,0.34572991,,,
+2073349658,*c1ccc(OCCCCCCCCCCCOC(=O)c2cccc(C(=O)OCCCCCCCCCCCOc3ccc(-c4nnc(*)s4)cc3)c2)cc1,,0.36776086,,,
+2073433279,*OP(=O)(Oc1ccc(OC)cc1)Oc1c(Br)cc(C(c2cc(Br)c(*)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br,,0.38658695,,,
+2073505666,*c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(-c5nc6ccccc6n5-c5ccc(-n6c(*)nc7ccccc76)cc5)cc4)cc3)cc2)cc1,,0.3799322,,,
+2074001151,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc(C(C)(C)c8ccc(Oc9ccc%10c(c9)C(=O)N(*)C%10=O)cc8)cc7)cc6C5=O)cc4)cc3)cc2)cc1,,0.36490013,,,
+2074006647,*Nc1ccc(NC(=O)c2ccc(C(c3ccc(C(*)=O)c(C(=O)OCC)c3)(C(F)(F)F)C(F)(F)F)cc2C(=O)OCC)cc1,,0.34977204,,,
+2074158001,*CC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)O*,,0.31456225,,,
+2074267479,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCCCCCC)cc1,,0.34629979,,,
+2074410152,*CC(*)(C)C(=O)OC1CCCCC1C,,0.37813807,0.153,0.85282857,10.922036
+2074469442,*CC(*)(C)C(=O)OCCCCCCCCCCCn1c2ccccc2c2ccccc21,,0.36342293,,,
+2074481050,*C=CC(C)C(*)C,78.17880502,,,,
+2074575987,*CCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.34397494,,,
+2075083572,*/C=C/c1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(F)c(C(F)(F)F)c1,,,0.185,1.037733826,22.21132757
+2075349566,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Oc4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)cc1)C2=O,,0.37826811,,,
+2075610197,*CC(OO*)c1ccc(C)cc1,,0.3659097,,,
+2076091344,*CC(*)CC[Si](C)(C)C,,0.42654899,,,
+2076186789,*Nc1ccc(*)cc1OC,,0.38337049,,,
+2076683779,*CC(C)(C)COC(=O)C1CCC(C(=O)O*)CC1,,0.35306926,,,
+2076949860,*CC(*)(CC(=O)O)C(=O)O,,0.2269924,,,
+2077226118,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Oc4ccc(Oc5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5)cc4)cc3)cc1)C2=O,126.2551791,,,,
+2077350791,*N=P(N=P(N=S(*)(=O)NCC)(NCC)NCC)(NCC)NCC,,0.37475847,,,
+2078434455,*c1c(C)cc(C)c(N2C(=O)c3ccc(Sc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1C,,0.41533211,,,
+2078494815,*CC(*)(Cl)C(=O)OCCOc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1,,0.34720014,,,
+2078520197,*CCN(*)C(=O)c1cc(F)cc(F)c1,,0.34415412,,,
+2078647419,*CCCCCCC1CC(CCC2CC(*)OC2=O)C(=O)O1,,0.33989367,,,
+2079303447,*CCCCCCCCCCCCCCC(*)Cl,,,0.3735,0.886561889,21.91642918
+2079401317,*CC(*)C(=O)Oc1ccc(Cl)cc1,,0.35839079,0.158,1.211730555,14.07962276
+2079617222,*Nc1ccc2c(c1)CCC21CCc2cc(N*)ccc21,,0.359460575,,,
+2079708609,*CC(*)OC(=O)CC(C)(C)c1ccccc1,,0.35480602,,,
+2079820575,*CCC1CC(*)C2C3CC(C12)C(C)(C(=O)OC)C3,,0.3681131,,,
+2080041266,*=Nc1cccc(Oc2cccc(Oc3cccc(N=C4OC(=O)c5ccc(-c6ccc7c(c6)C(=O)OC7=*)cc54)c3)c2)c1,193.7356518,,,,
+2080614685,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccc(N)cc3-c3cc(N)ccc32)cc1,,0.37760376,,,
+2080644160,*Nc1cc2c3ccc(-c4ccc(C(C)C)cc4)c(-c4ccc(C(C)C)cc4)c3c(N*)cc2c2ccccc12,,0.37311633,,,
+2081117789,*Nc1ccc([C@H](C)Cc2ccc(C[C@@H](C)c3ccc(N*)cc3)cc2)cc1,,0.36158847,,,
+2081485306,*CC(*)C(=O)OCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1,,0.33434555,,,
+2081569182,*CCCNC(=O)c1ccc(C(=O)N*)cc1,,0.31568914,,,
+2081754132,*Nc1ccc([C@]2(c3ccccc3)c3ccccc3-c3cccc(N*)c32)cc1,,0.36468241,,,
+2081766771,*CC(*)OC(=O)CC1CCCCC1,,0.3629501,,,
+2081786405,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(*)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.39990412,,,
+2082251214,*CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,,0.38491292,0.4533333333333333,0.880970816,22.40951609
+2082516558,*Nc1ccc([C@H]2C[C@H]3CC[C@@H]2CC[C@@H]2CC[C@H](CC3)[C@H](c3ccc(N*)c(N)c3)C2)cc1N,,0.35134124,,,
+2082878937,*ON(C(F)(F)F)C(F)(F)C(*)(F)SC(F)(F)F,,0.3185822,,,
+2083351176,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC1=C(*)c2cccc3cccc1c23,,0.40558784,,,
+2083399085,*C(=O)c1ccc2c(c1)C(=O)N(c1cc(OCCCCCCCCCCCC)cc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O,,0.36928432,,,
+2083473001,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(-c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)cc2)cc1,,0.37583933,,,
+2084095989,*C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc8ccc(Oc9ccc(N%10C(=O)c%11ccc(*)cc%11C%10=O)cc9)cc8c7)cc5)C6=O)cc4)cc3)cc2)cc1,,0.35762799,,,
+2084277972,*Nc1ccc(-c2ccc(-c3ccc(N*)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1,,0.36155112,,,
+2085027374,*Nc1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(-c4ccc(N*)cc4)ccc2-3)cc1,,0.37055299,,,
+2085033079,*C(=O)Oc1ccc(-c2ccc(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5C)c(C)c3)C4=O)cc2C)c(C)c1,,0.37394713,,,
+2085100639,*Cc1ccccc1CN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(NC(=O)/C(C#N)=C/c3ccc(N(*)CC)cc3)c2)cc1,,0.36570128,,,
+2085613609,*C=Cc1ccc(-c2ccc(C(C#N)=Cc3ccc4c(c3)C(CC)(CC)c3cc(C=C(C#N)c5ccc(-c6ccc(C=CC7=CC(=C(C#N)C#N)C=C(*)O7)s6)cc5)ccc3-4)cc2)s1,,0.40560476,,,
+2086500241,*CCC(C)O*,,0.3787093,,,
+2086671305,*CC(*)c1ccccc1C,,,0.1903333333333333,0.876818696,11.81194142
+2087529784,*C(=O)c1ccc2c(c1)C(=Nc1cccc(Oc3cccc(Oc4cccc(N=C5OC(=O)c6ccc(*)cc65)c4)c3)c1)OC2=O,,0.35278937,,,
+2087902310,*c1ccc(-c2ccc(-c3c(-c4ccccc4)nc4ccc(-c5ccc6nc(-c7ccccc7)c(*)c(-c7ccccc7)c6c5)cc4c3-c3ccccc3)cc2)cc1,,0.41084325,,,
+2087962619,*Oc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Oc4ccc(C(=O)Nc5ccc(Cc6ccc(NC(=O)c7ccc(*)cc7)cc6)cc5)cc4)cc3)c2)cc1,,0.36716736,,,
+2088540616,*Oc1ccc(C2(c3ccc(OC(=O)c4ccc(C(*)=O)cc4)c(C)c3)CCC3CCCCC3C2)cc1C,,0.38501147,,,
+2088836138,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(C(=O)OCCOc2ccc(C=CC(=O)c3ccccc3)cc2)c1,,0.33943135,,,
+2088992800,*CCCCCCOC(=O)c1cc(N=Nc2ccc(OCC)cc2)ccc1-c1ccc(N=Nc2ccc(OCC)cc2)cc1C(=O)O*,,0.36903817,,,
+2089130160,*/C=C/C(C)CCCCC*,,,0.2486666666666666,,
+2089319482,*CC(*)C(=O)OCCOCCOC(F)(F)C(F)F,,0.33433583,,,
+2089653204,*OC(=O)c1ccc(CCCCCc2ccc(C(*)=O)cc2)cc1,,0.35615105,,,
+2089703645,*NC(CCC(=O)OCc1ccccc1)C(*)=O,,0.32872163,,,
+2089849247,*Oc1cc(C(C)(C)C)c(Oc2ccc(C(=O)Nc3ccc(C(C)(C)c4ccc(NC(=O)c5ccc(*)cc5)c(C)c4)cc3C)cc2)cc1C(C)(C)C,,0.38910548,,,
+2089875346,*CCC/C=C(/*)c1ccc(Cl)cc1,,,0.184,1.085646157,16.28575806
+2090259325,*Nc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(Nc4ccc(C(=O)c5ccc(C(=O)c6ccc(*)cc6)cc5)cc4)cc3)c2)cc1,,0.38954498,,,
+2090445254,*CCCCCCCCCCCCCCCCCCOCO*,,,0.406,0.865128678,20.46039767
+2090672547,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3cccc(Oc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)c3)c1)C2=O,,0.35973284,,,
+2090987332,*C(F)(F)C1(*)OC(F)(F)C(F)(C(F)(F)F)O1,,0.35247357,,,
+2091289727,*c1nc(-c2ccccc2)nc(N(CCCCCCN(*)c2ccccc2)c2ccccc2)n1,,0.38631278,,,
+2091496127,*CC1CC(*)C(OC(=O)CCCCCCCCCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,,0.36711221,,,
+2091819408,*C(C)=C(*)CCC,,0.40232091,,,
+2092024077,*Oc1ccc(C2(c3ccc(Oc4ccc(C(=O)C(=O)c5ccc(*)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1,,0.3923538,,,
+2092061977,*CC(*)(CCCCC)C(=O)OC,,0.38074638,,,
+2092067263,*Nc1ccc(C[C@@H](c2ccc(N*)cc2)[C@@H](C)c2ccc(N)cc2)cc1,,0.35733643,,,
+2092210478,*c1ccc(-c2sc(-c3cc(CCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCC)cc1,,0.41997349,0.413,0.941065148,19.30135388
+2092278480,*Oc1ccc(C(=O)Nc2ccccc2-c2ccc(NC(=O)c3ccc(*)cc3)cc2)cc1,,0.34957751,,,
+2092674324,*CC(F)(F)C(F)(F)C(F)(F)COC(=O)c1cccc(C(=O)O*)c1OCCCCC,,0.34076472,,,
+2092935211,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(Oc4ccc(C5(C)CC(C)(C)c6ccc(Oc7ccc(-c8ccc(N9C(=O)c%10ccc(*)cc%10C9=O)cc8)cc7C(F)(F)F)cc65)cc4)c(C(F)(F)F)c3)cc1)C2=O,,0.38328824,,,
+2093130856,*CCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,,0.36935846,0.408,0.92195685,22.1235356
+2093549092,*c1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(-c5nc(*)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1,,0.42256432,,,
+2093679226,*CCCCC(=O)NCc1ccc(CNC(=O)CCCCS*)cc1,,0.35168032,,,
+2094132157,*CC(*)c1ccccc1OC(C)=O,,0.35684736,,,
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+2099648126,*Nc1c(C)cc(C2(c3cc(C)c(N*)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc1C(C)C,,0.40331022,,,
+2100810597,*c1ccc(-c2nc3cc(C)ccc3o2)c(*)c1,,0.42938572,,,
+2101703893,*N=P(*)(OCCCCC)OCCCCC,,0.4064028,,,
+2101723306,*O[Si](C)(Oc1ccc(C(C)(C)c2ccc(*)cc2)cc1)c1ccccc1,,0.39715022,,,
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+2102039309,*Oc1ccc(Oc2ccc(C(=O)c3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(C(=O)c6ccc(*)cc6)cc5)c4)cc3)cc2)cc1,,0.36086621,,,
+2102048266,*CC(C)(C)C1C(=O)OC(=O)C1*,,0.29898887,,,
+2102097019,*Nc1ccc([C@H](CCCCCC)c2ccc(CCc3ccc([C@@H](CCCCCC)c4ccc(N*)cc4)cc3)cc2)cc1,,0.36359418,,,
+2102135850,*CCC(*)=O,,0.32553925,,1.073855453,22.19638383
+2102234224,*CC(*)(C#N)C(=O)OCCCCCCC,,0.38098493,,,
+2102406766,*CC(*)c1ccccc1Br,,0.40945525,,,
+2102601525,*/C=C/CCCCCCCC*,,,0.3688333333333332,0.822061556,19.34707652
+2102738323,*Oc1ccc(C(=O)c2ccc(OC(=O)c3ccc(C(C)(C)c4ccc(C(*)=O)cc4)cc3)cc2)cc1,,0.35881201,,,
+2102908349,*C1=C(c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(*)cc5)ccc3-4)cc2)C(=O)N(CCCC)C1=O,,0.39850334,,,
+2103171558,*Nc1cc(NC(=O)c2cc(OCCN(C)c3ccc([N+](=O)[O-])cc3)cc(C(*)=O)c2)cc(C(=O)OC2CC(C)CCC2C(C)C)c1,,0.35015329,,,
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+2103408562,*SC(*)(F)F,,0.37718963,0.114,1.840998909,24.17920498
+2103439506,*CCC[Si](*)(C)C[Si](C)(C)C,,0.40507893,,,
+2103456476,*CC(*)c1ccc(CCCCCCCCC)cc1,,0.39955076,0.277,0.87039516,11.44773012
+2103595659,*CCOCCOCCOC(=O)CCCCC(=O)O*,,0.33678464,,,
+2103648490,*Nc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1N*,,0.35655362,,,
+2104121723,*Nc1ccc(-c2ccc(C[C@@H](C)c3ccc(N*)cc3)cc2)cc1,,0.35318823,,,
+2104215335,*Oc1ccc2cc(Oc3ccc4c(=O)n5c6cc(-c7ccc8c(c7)nc7c9ccc(*)c%10cccc(c(=O)n87)c%109)ccc6nc5c5cccc3c45)ccc2c1,,0.37975728,,,
+2104280105,*OC(F)(F)COC(=O)c1cccc(C(F)(F)C(F)(F)C(F)(F)c2cccc(C(=O)OCC(*)(F)F)c2)c1,,0.33058531,,,
+2104394110,*Nc1ccc(-c2ccc(N*)c(C/C=C/c3ccccc3)c2C/C=C/c2ccccc2)cc1,,0.35337188,,,
+2104615575,*Nc1ccc(CC(CC)(CC)c2ccc(N)c(CC(CC)(CC)c3ccc(N*)cc3)c2)cc1,,0.35803867,,,
+2104808505,*NC1CC(C)(C)CC(C)(CNC(=O)CCCCC(*)=O)C1,,0.3442808,,,
+2104822360,*c1ccc(Oc2ccc(-c3nc4cc(Oc5ccc(NC(=O)c6ccc7c(c6)C(=O)N(c6ccc(C(c8ccc(N9C(=O)c%10ccc(C(=O)Nc%11ccc(Oc%12ccc%13nc(-c%14ccccc%14)c(*)nc%13c%12)cc%11)cc%10C9=O)cc8)(C(F)(F)F)C(F)(F)F)cc6)C7=O)cc5)ccc4nc3-c3ccccc3)cc2)cc1,,0.38083913,,,
+2105181780,*c1ccc2c(c1)C(=O)N(c1c(C)cc(C3(c4cc(C)c(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c(C(C)C)c4)c4ccccc4-c4ccccc43)cc1C(C)C)C2=O,,0.44640545,,,
+2105271867,*Nc1ccc(C(c2ccc(N)c(C)c2C)c2ccc(N*)c(C)c2C)c(C)c1C,,0.38011149,,,
+2105289986,*CC(*)c1ccc(OC(C)(C)C)cc1,,0.38657315,,,
+2105342564,*Nc1cccc(C2=C(c3ccccc3)C=C[C@@H](c3ccccc3)[C@]2(c2ccccc2)c2cccc(N*)c2)c1,,0.37740484,,,
+2105808752,*Nc1ccc(/C=C/[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1N*,,0.35587947,,,
+2106014739,*CC(*)(CC(=O)OC1CCC1)C(=O)OC1CCC1,,0.38532463,,,
+2106275080,*CCCCCCCCCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCCCCCCCCCN3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,,0.35025785,,,
+2107302149,*CC(*)c1cc(Br)ccc1OC,,0.39846668,0.132,,
+2107491529,*CC(*)(C)C(=O)OCC(F)(F)F,,0.33930857,,,
+2107706475,*CCCCCCCCCOCO*,,,0.277,,
+2107751440,*Nc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(N)ccc2-c2ccc(N*)cc21,,0.38616703,,,
+2108285261,*CCCCCNC(=O)Cc1ccc(C(=O)N*)cc1,,0.33164611,,,
+2108373019,*CC(*)C(=O)OCCCCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(C#N)cc2)cc1,,0.35628363,,,
+2109042008,*CC(*)c1ccc(S(=O)(=O)O)cc1,,,,1.219503167,14.50652497
+2109143268,*CC(*)(CC(=O)OCCC)C(=O)OCCC,,0.36758128,0.1845,0.95089128,11.16357076
+2109376187,*c1ccc(C(=O)OCCCCCCCCOc2ccc(C=CC(=O)C=Cc3ccc(OCCCCCCCCOC(=O)c4ccc(-c5nnc(*)o5)cc4)cc3)cc2)cc1,,0.36096728,,,
+2110077418,*CCCC1(CCCNC(=O)CCCCCCCCC(=O)N*)c2ccccc2-c2ccccc21,,0.35257757,,,
+2111187299,*C(=Cc1ccc(C=C(c2ccccc2)c2ccc(-c3ccc(*)cc3)cc2)cc1)c1ccccc1,,0.39715192,,,
+2111235464,*CC(*)c1ccccc1COCC,,0.37386236,0.1846666666666666,,
+2111449660,*Nc1ccc(-c2ccc(-c3ccc(N*)c(-c4cc(C)ccc4C)c3-c3cc(C)ccc3C)cc2)cc1,,0.37917526,,,
+2111641058,*CC(*)C(=O)OCCCCC,,0.37816739,,,
+2111688362,*NN(N*)[C@](CC)(CCC)C[C@@](C)(CC)N(N)N,,0.33398342,,,
+2112106908,*Oc1c(C)cc(*)cc1C(C)CCCCC,,0.41074836,,,
+2112160292,*CC(*)(OC(C)=O)c1ccc(OC(C)=O)cc1,74.85696518,,,,
+2112420491,*Nc1ccc(*)cc1,,0.39788166,,,
+2112498322,*c1nnc(-c2sc(-c3nnc(-c4cc(OCCCCCCCC)c(*)cc4OCCCCCCCC)o3)cc2CCCCCCCC)o1,,0.41777055,,,
+2112731378,*CCOCCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(O*)c3)c2)c1,,0.3366937,,,
+2112734421,*CC(c1ccccc1)C1C(=O)N(CCCN(CC)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3)c(C)c2)C(=O)C1*,,0.37385822,,,
+2112770434,*C1=C(c2ccc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-c5ccc(*)cc5)ccc3-4)cc2)C(=O)N(CCCCCCCC)C1=O,,0.39556672,,,
+2112796549,*c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(N4C(=O)c5ccc(NC(=O)Nc6cccc(NC(=O)Nc7ccc8c(c7)C(=O)N(*)C8=O)n6)cc5C4=O)cc3)n2)cc1,,0.35158971,,,
+2112814629,*CC(CO*)C(C)(C)C,,0.37336489,,,
+2113232814,*CC(O)CN(*)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C)cc1,,0.36561272,,,
+2113271620,*CC(*)(CC(=O)OC)C(=O)OC,,0.32193525,0.152,,
+2113327142,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O,,0.39124786,,,
+2113413468,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)c([Si](C)(C)C)c4)(C(F)(F)F)C(F)(F)F)cc3[Si](C)(C)C)cc2)cc1,,0.40476699,,,
+2113953037,*Oc1ccc2cc(OC(=O)c3cccc(Oc4ccc(Oc5cccc(C(*)=O)c5)cc4)c3)ccc2c1,,0.34970341,,,
+2113988141,*C(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,,0.34372152,,,
+2114154599,*O[Si](C)(C)c1cccc([Si](*)(C)C)c1,,0.42523073,,,
+2114560231,*c1ccc(CCc2ccccc2N2C(=O)C(=O)N(c3ccc(Oc4ccc(N5C(=O)C(=O)N(*)C5=O)cc4)cc3)C2=O)cc1,,0.35389023,,,
+2114893562,*c1ccc(C(C)(C)c2ccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)cc2)cc1,,,,1.146465554,25.11101976
+2115270537,*CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F,,0.31915236,,,
+2115445958,*C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(*)cc5C4=O)c2)C3=O)n1,,0.34115453,,,
+2115845960,*Nc1cc(NC(=O)c2ccc(C(*)=O)cc2)cc(-c2nc3ccccc3oc2=O)c1,,0.33876246,,,
+2116023272,*O[Si](C)(C=C)O[Si](C)(C)c1ccc([Si](*)(C)C)cc1,,0.42501353,,,
+2116043723,*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1,,0.35854556,,,
+2116336179,*Nc1ccc(-c2ccc(N*)cc2-c2ccccc2)cc1,,0.3506411,,,
+2116365788,*Nc1cc(SCCC#N)c(NC(=O)c2cccc(C(*)=O)c2)cc1SCCC#N,38.16065966,,,,
+2116457345,*CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(Cc3nc5ccc(Cc6ccc7nc(*)oc(=O)c7c6)cc5c(=O)o3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O,,0.36193236,,,
+2116593356,*c1cc(CCCCCC)c(-c2ccc3c4ccc(-c5sc(-c6sc(*)c7nc(CC)c(CC)nc67)cc5CCCCCC)cc4n(CCCCCCCCCCCC)c3c2)s1,,0.43100315,,,
+2117478348,*/C=C/c1ccc(*)c(-c2cc(OCC(CC)CCCC)c(-c3ccccc3)cc2OCC(CC)CCCC)c1,,,0.237,0.947690837,13.74155321
+2117609308,*Oc1ccc(P(C)(=O)c2ccc(Oc3ccc(P(=O)(c4ccccc4)c4ccc(*)cc4)cc3)cc2)cc1,,0.38699983,,,
+2117950580,*c1ccc(C2C(C(=O)OCC)C(*)C2C(=O)OCC)cc1,164.3224631,,,1.011107838,16.56532099
+2118544879,*c1ccc(Oc2ccc(-c3ccc(Oc4ccc(N5C(=O)c6cccc(Oc7ccc(C(c8ccc(Oc9cccc%10c9C(=O)N(*)C%10=O)cc8)(C(F)(F)F)C(F)(F)F)cc7)c6C5=O)cc4)cc3)cc2)cc1,,0.36630102,,,
+2118719720,*O[Si](C)(C)CC(C)(C)COC(=O)c1cccc(C(=O)OCC(C)(C)C[Si](*)(C)C)c1,,0.3817269,,,
+2118723389,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCCOCC(*)=O)cc2)C(=O)OCc2ccccc2)cc1,,0.33524164,,,
+2118767527,*c1cccc(N2C(=O)c3ccc(Oc4ccc5cc(Oc6ccc7c(c6)C(=O)N(*)C7=O)ccc5c4)cc3C2=O)c1,,0.3713948,,,
+2118906166,*CC(*)CNc1ccc([N+](=O)[O-])cc1,,0.3745043,,,
+2119541663,*C=CC1CC(*)C2C(=O)N(c3ccccc3F)C(=O)C12,,0.35885634,,,
+2119800195,*C=C(*)CCCOc1ccc(OC(=O)c2ccc(OCCCCCCCC)cc2)cc1,,0.36337472,,,
+2119910769,*CC(*)(Cl)C(=O)OCC,,,0.1985,1.162819805,16.552184
+2120362276,*Nc1ccc2c(c1)[C@]1(CCC)c3ccc(N*)cc3[C@]3(CCC)c4ccc(N)cc4[C@@]2(CCC)C31C,,0.39344519,,,
+2120569877,*c1cccc(OCCCCCCCCCCCOC(=O)c2cccc(C(=O)OCCCCCCCCCCCOc3cccc(-c4nnc(*)s4)c3)c2)c1,,0.36865264,,,
+2120715373,*CCCCCCCCCCCCOc1c(OC)cc(/C=C/c2ccc(/C=C/c3cc(OC)c(O*)c(OC)c3)cc2)cc1OC,,0.36749274,,,
+2120990962,*Oc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(*)cc2)cc1,,0.35479832,,,
+2121376176,*Nc1ccc(-c2c3cc(N*)c(N)cc3c(-c3ccc(N)cc3)c3c(-c4ccc(N)cc4)c4cc(N)c(N)cc4c(-c4ccc(N)cc4)c23)cc1,,0.35674675,,,
+2121841286,*CC(*)c1ccc([Si](C)(C)O)cc1,,0.41238443,,,
+2122013892,*CC(OC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(COC(=O)O*)OC(=O)C(CC(C)C)NC(=O)OCc1ccccc1,,0.34504989,,,
+2122531737,*c1ccc(N2C(=O)c3ccc(P(=O)(c4ccccc4)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)cc1,,0.40605491,,,
+2123056342,*Nc1ccc(C2(c3ccc(N*)cc3)CCC(C(C)(C)C)CC2)cc1,,0.36342823,,,
+2123073246,*CC(*)OC(=O)OC([2H])([2H])[2H],,0.32119753,,,
+2123232751,*c1nc(-c2ccccc2)nc(N(CCCCN(*)c2ccccc2)c2ccccc2)n1,,0.38631994,,,
+2124031511,*c1ncnc(N(CCCCCCN(*)c2ccccc2)c2ccccc2)n1,,0.38019427,,,
+2124040823,*Oc1ccc(C=Cc2ccc(C=Cc3ccc(OC(=O)CCCCCCCCC(*)=O)c(C)c3)cc2)cc1C,35.47523522,,,,
+2124483443,*CC(*)(C)C(=O)OCc1ccc2c(c1)c1ccccc1n2CCCCCC,,0.36971613,,,
+2124605218,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(*)cc5)c4)cc3)cc2)cc1,,0.36722758,,,
+2124727719,*CCN(CCOC(=O)CCC#CC#CCCC(=O)O*)c1ccc([N+](=O)[O-])cc1,,0.36177609,,,
+2125797590,*Nc1ccc(NC(=O)c2cccc(C(=O)c3ccc(C(*)=O)cc3)c2)cc1,,0.34473646,,,
+2125841447,*Nc1ccc(C2(c3ccc(N*)cc3[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c3ccccc3-c3ccccc32)c([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1,,0.39009071,,,
+2126001551,*Nc1c(F)c(F)c(F)c(N*)c1F,,0.32142208,,,
+2126142504,*CCCCCCN(CC)C(=O)CCCCCCCCCCCCCCCCC(=O)N(*)CC,,,0.333,,
+2127024895,*OC(=CCC)C(CC)C(*)=O,,0.37690028,,,
+2127124600,*c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N5C(=O)C6CCC(C7CCC8C(=O)N(*)C(=O)C8C7)CC6C5=O)cc4)cc3)cc2)cc1,,0.37305974,,,
+2127233037,*CCN(*)C(=O)CCCCCCCCCCCCCCC,,,0.3359999999999999,0.870810763,12.67666102
+2127356325,*c1cc(CCCCCCCCCCCC)c(*)s1,,0.41022463,,,
+2127384896,*C(=O)OCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(*)cc3C2=O)cc1,,0.34264115,,,
+2127609495,*CCCCCCc1nc2cc(NC(=O)CCCCCCC(=O)Nc3ccc4oc(*)nc4c3)ccc2o1,,0.35267308,,,
+2127644258,*c1ccc2c(c1)C(=O)N(c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O,,0.34082447,,,
+2127806896,*CCCCCCCCCCCCCCNC(=O)NCc1ccc(CNC(=O)N*)cc1,,0.35745185,,,
+2128237869,*CC(*)c1ccccc1F,,,0.1746666666666666,,
+2128329222,*CCN(*)C(=O)CSC,,0.36204137,,,
+2128364241,*C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccccc3)c3ccc(N4C(=O)c5ccc(*)cc5C4=O)cc3)cc1)C2=O,,0.39846881,,,
+2128965450,*CCCCCCCCNC(=O)c1ccc(C(=O)N*)cc1,,0.34767798,,,
+2129332781,*CCCCCCNC(=O)CCCCCCCCC(=O)N*,,0.35371267,,,
+2129403327,*Nc1ccc(C(Cc2ccccc2)c2ccc(N*)c(C)c2C)c(C)c1C,,0.36251454,,,
+2130807414,*CC(*)C(=O)OCC1(C)COC(C)(C)OC1,95.74104893,,,,
+2130816588,*OC(=O)c1ccc(C(=O)OC2COC3C(*)COC23)o1,,0.35695181,,,
+2130846532,*Nc1cc([C@]2(C)CC(C)(C)c3cc(N*)c(N)cc32)ccc1N,,0.36873621,,,
+2131450394,*Nc1ccccc1-c1ccc2cc3ccccc3cc2c1-c1ccccc1N*,,0.35945408,,,
+2131565375,*Nc1cc2ccccc2c(Cc2c(N*)c(N)cc3ccccc23)c1N,,0.34344352,,,
+2132236820,*OC1CCC(OC(=O)CCCCC(*)=O)CC1,,0.34360259,,,
+2132602127,*Nc1ccc(Cc2cc(C)cc(Cc3ccc(N*)cc3)c2)cc1,,0.35392035,,,
+2132630814,*c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3nnc(-c4cccc(-c5nnc(*)o5)n4)o3)cc2)cc1,,0.49159892,,,
+2132767837,*Nc1ccc(C2(c3ccc(N*)cc3)c3ccccc3-c3ccccc32)cc1,,0.36811921,,,
+2132825345,*O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC(*)C,,0.43542054,,,
+2133999177,*Nc1ccccc1-c1c(N*)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1,,0.3746419,,,
+2134272821,*CC(C)(C)COC(=O)Nc1ccc(C)c(NC(=O)O*)c1,,0.3446265,,,
+2134740083,*O[Si](C)(C)O[Si](C)(C)c1c(F)c(F)c(F)c([Si](*)(C)C)c1F,,0.41170032,,,
+2135550018,*C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)cc3)C4=O)cc2)cc1,,0.3631707,,,
+2135749372,*CCCCCCCCCCCCNC(=O)c1ccc(C(=O)N*)cc1,,0.35898892,,,
+2135907142,*C(=O)c1ccc2c(c1)C(=O)N(CC1(C)CC(N3C(=O)c4ccc(*)cc4C3=O)CC(C)(C)C1)C2=O,,0.37151766,,,
+2136380644,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)COCC(*)=O)cc2)C(=O)OCC)cc1,,0.33546601,,,
+2136556254,*Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(OC(=O)c3cccc(C(*)=O)c3)cc2)cc1,,0.37842734,,,
+2136774388,*C(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cc3ccc(Cc4cccc(N5C(=O)c6ccc(*)cc6C5=O)c4)cc3)c1)C2=O,,0.36986106,,,
+2136777400,*Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)c4ccc(*)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1,,0.36520818,,,
+2136833669,*Nc1ccc([C@H](C)c2ccc(C3(c4ccc([C@@H](C)c5ccc(N*)cc5)cc4)CCC(C)CC3)cc2)cc1,,0.36603759,,,
+2137189788,*CCCCCCOC(=O)Nc1ccc(NC(=O)OCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c(C)c1,,0.34994782,,,
+2137510659,*c1cccc(N/C=C\C(=O)c2cccc(C(=O)/C=C\Nc3cccc(S(*)(=O)=O)c3)c2)c1,,0.37814125,,,
+2137901854,*O[Si](C)(C)c1c(F)c(F)c(F)c([Si](*)(C)C)c1F,,0.39677257,,,
+2138950642,*Nc1c2ccccc2c(-c2c3ccccc3c(N*)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)c2ccccc12,,0.38138687,,,
+2139033638,*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c(OCCN(CC)c3ccc(N=Nc4ccc([N+](=O)[O-])cc4)cc3)c1)C2=O,,0.37475004,,,
+2139220347,*Oc1ccc(Oc2ccc(Oc3cccc(C(=O)Oc4ccc(OC(=O)c5cccc(*)c5)cc4)c3)cc2)cc1,,0.35258751,,,
+2139752461,*Nc1ccc([C@](C)(CC)c2cccc([C@](C)(CC)c3ccc(N*)cc3)c2)cc1,,0.36284184,,,
+2139764431,*c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(-c5cnc6ccc(-c7ccc8nc(*)cnc8c7)cc6n5)cc4)cc3)cc2)cc1,,0.38627985,,,
+2140175803,*CC(CO*)(CS(=O)(=O)C(C)C)CS(=O)(=O)C(C)C,,0.38031514,,,
+2140329869,*Nc1ccc2c(c1)C1(C3=C(C=C[C@@H](N*)C3)C2)c2ccccc2-c2ccccc21,,0.36640776,,,
+2140546586,*C(=O)Oc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)c3ccc4c(c3)C(=O)N(c3ccc(-c5ccc(N6C(=O)c7ccc(*)cc7C6=O)cc5C)c(C)c3)C4=O)c(C)c2)cc1C,,0.39302078,,,
+2141222333,*CC(*)C1CC=CCC1,,,0.18075,0.84208322,12.70353444
+2141227349,*CC(*)Cl,,,0.139,1.263489368,21.12197193
+2141673799,*CCCCCC(=O)O*,,0.34897959,,1.002695727,18.83367597
+2141743526,*C=Cc1ccc2c(c1)Sc1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)Sc5cc(*)ccc5N6c5ccc(OCCCCCCCCCCCC)cc5)s4)s3)ccc1N2c1ccc(OCCCCCCCCCCCC)cc1,,0.42062022,,,
+2141765674,*Nc1cc2cc3ccc4cc5cc6ccccc6cc5cc4c3cc2c(-c2ccccc2)c1N*,,0.35825873,,,
+2142082158,*CC(*)C(=O)OCCOCC1(CC)COC1,,0.35230889,,,
+2142258643,*ON(C(F)(F)C(*)(F)F)C(F)(F)C(F)(F)Br,,0.34925007,,,
+2142436702,*CC(*)OCCOc1ccc(C=C(C#N)C#N)cc1,,0.36175051,,,
+2142712159,*Oc1ccc(CC(NC(=O)CCc2ccc(OC(=O)CCCCCCCCC(*)=O)cc2)C(=O)OC)cc1,,0.34491037,,,
+2142796643,*CCCC(=O)NCc1ccc(CNC(=O)CCCO*)cc1,,,0.259,1.107946409,20.18778178
+2143562639,*c1ccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccc7ccccc7c6)nc5c4)ccc3nc2-c2ccc3ccccc3c2)cc1,,0.43086415,,,
+2143661007,*c1cccc(P(=O)(c2ccccc2)c2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)c1,,0.38226791,,,
+2143712913,*NNC(=O)c1ccc(C(=O)NNC(=O)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc(C(*)=O)cc3)cc2)c2ccccc12,,0.36644642,,,
+2143907277,*Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(*)c([Si](C)(C)C)c4)(C(F)(F)F)C(F)(F)F)cc3[Si](C)(C)C)cc2[Si](C)(C)C)c([Si](C)(C)C)c1,,0.41875754,,,
+2144004917,*Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CC(C)CC(C)(C)C2)cc1,,0.37154633,,0.982602482,17.75581966
+2144112404,*c1ccc(Nc2ccc(C3(c4ccc(Nc5ccc(S(*)(=O)=O)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1,,0.40928842,,,
+2144122430,*CC(OO*)c1ccc(C(C)(C)C)cc1,,0.37482971,,,
+2144407419,*NC1=C2C=Cc3ccc(N*)c4c3[C@@H]2C(=CC1)C=C4,,0.33652131,,,
+2144585137,*C=CCCCCCCCCCC(Cl)CCCCCCCCC*,,0.40465306,,,
+2144833176,*Nc1cccc(-c2cc(N*)ccc2-c2ccccc2)c1,,0.35055049,,,
+2144885299,*Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(*)cc4)c4ccccc34)cc2)cc1,,0.37892993,,,
+2145754904,*c1ccc(OCCOCCOc2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)c2)cc1,,0.34463858,,,
+2145995824,*c1ccc(C)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.38486808,,,
+2146083613,*CC(C)(C)COC(=O)CCCCC(=O)O*,,0.34752544,,,
+2146213237,*CCOC(=O)c1ccc(C(C#N)=C(c2ccc(OC)cc2)N2CCC(*)CC2)cc1,,0.38560753,,,
+2146592435,*Oc1cc(CCCCCCCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,,0.36749796,,,
+2146810552,*C(=O)OCCN(CCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(*)cc4C3=O)c1)C2=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1,,0.35327976,,,
+2147191531,*c1cc(C(=O)NCCCCCCCC)cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1,,0.36941098,,,
+2147435020,*C=C(*)c1ccccc1C,261.6623551,,,,
+2147438299,*c1ccc(OCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCOc2ccc(-c3nnc(*)s3)cc2)cc1,,0.37404941,,,