Collection of duplicates

Final #TotalSet0.txt

+95-50-1 C1=CC=C(C(=C1)Cl)Cl 2.700     Y
+541-73-1 C1=CC(=CC(=C1)Cl)Cl 3.290     Y
#106-46-7 C1=CC(=CC=C1Cl)Cl 2.930     Y
+87-61-6 C1=CC(=C(C(=C1)Cl)Cl)Cl 3.360     Y
+120-82-1 C1=CC(=C(C=C1Cl)Cl)Cl 3.450     Y
+108-70-3 C1=C(C=C(C=C1Cl)Cl)Cl 3.570     Y
*634-66-2 C1=CC(=C(C(=C1Cl)Cl)Cl)Cl 3.690     Y
+634-90-2 C1=C(C=C(C(=C1Cl)Cl)Cl)Cl 4.180     Y
-95-94-3 C1=C(C(=CC(=C1Cl)Cl)Cl)Cl 4.090     Y
+608-93-5 C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl 4.350     Y
-118-74-1 C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl 4.900     Y
+108-90-7 C1=CC=C(C=C1)Cl 2.400     Y
-95-49-8 CC1=CC=CC=C1Cl 3.070     Y
+106-43-4 CC1=CC=C(C=C1)Cl 2.870     Y
+6639-30-1 CC1=CC(=C(C=C1Cl)Cl)Cl 4.170     Y
+108-86-1 C1=CC=C(C=C1)Br 2.510     Y
-591-50-4 C1=CC=C(C=C1)I 2.730     Y
#71-43-2 C1=CC=CC=C1 1.990     Y
-108-88-3 CC1=CC=CC=C1 2.480     Y
#100-41-4 CCC1=CC=CC=C1 2.790     Y
+95-47-6 CC1=CC=CC=C1C 2.700     Y
+103-65-1 CCCC1=CC=CC=C1 3.140     Y
-108-38-3 CC1=CC(=CC=C1)C 2.950     Y
+106-42-3 CC1=CC=C(C=C1)C 2.760     Y
-98-82-8 CC(C)C1=CC=CC=C1 3.250     Y
-95-63-6 CC1=CC(=C(C=C1)C)C 2.940     Y
-108-67-8 CC1=CC(=CC(=C1)C)C 3.250     Y
+100-42-5 C=CC1=CC=CC=C1 2.860     Y
*1022-22-6 C1=CC(=CC=C1C(=CCl)C2=CC=C(C=C2)Cl)Cl 5.590     Y
#3424-82-6 C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl 5.890     Y
*72-55-9 C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl 5.750     Y
-53-19-0 C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl 5.160     Y
-72-54-8 C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl 5.190     Y
+789-02-6 C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl 5.770     Y
+50-29-3 C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl 5.470     Y
+72-43-5 COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl 4.260     Y
+319-84-6 C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl 3.040     Y
*309-00-2 C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl 5.250     Y
*60-57-1 C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl 4.750     Y
-959-98-8 C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl 3.870     Y
*1031-07-8 C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl 2.910     Y
*72-20-8 C1[C@@H]2[C@@H]3[C@H]([C@H]1[C@H]4[C@@H]2O4)[C@@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl 4.530     Y
#7421-93-4 C1C(C2C3C1C4C5(C2(C(C3(C45Cl)Cl)(Cl)Cl)Cl)Cl)C=O 3.150     Y
*53494-70-5 C1C2C3C4C1C(=O)C2C5(C3(C(C4(C5Cl)Cl)(Cl)Cl)Cl)Cl 3.360     Y
-76-44-8 C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl 4.260     Y
#1024-57-3 [C@@H]12[C@@H]([C@H]([C@@H]3[C@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl 4.590     Y
*5103-71-9 C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl 5.490     Y
#5103-74-2 C1[C@H]2[C@@H]([C@H]([C@@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl 5.500     Y
-5103-73-1 [C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl 5.300     Y
+3734-48-3 C1C=CC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl 5.650     Y
+121-75-5 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC 2.320     Y
#86-50-0 COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1 2.540     Y
*2921-88-2 CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl 4.310     Y
-333-41-5 CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C 3.430     Y
#62-73-7 COP(=O)(OC)OC=C(Cl)Cl 1.950     Y
-298-04-4 CCOP(=S)(OCC)SCCSCC 3.200     Y
+13194-48-4 CCCSP(=O)(OCC)SCCC 2.260     Y
*56-38-2 CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] 3.030     Y
#52-85-7 CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC 2.180     Y
#299-84-3 COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl 3.540     Y
+122-14-5 CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] 2.890     Y
-26087-47-8 CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1 2.600     Y
#18854-01-8 CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2 3.260     Y
#298-00-0 COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] 2.070     Y
*126-68-1 CCOP(=S)(OCC)OCC 2.260     Y
-298-02-2 CCOP(=S)(OCC)SCSCC 3.150     Y
#34643-46-4 CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl 4.000     Y
*3689-24-5 CCOP(=S)(OCC)OP(=S)(OCC)OCC 3.200     Y
*2104-96-3 COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl 3.590     Y
+4824-78-6 CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl 3.600     Y
#97-17-6 CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl 3.290     Y
+563-12-2 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC 3.170     Y
+55-38-9 CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC 3.220     Y
-297-97-2 CCOP(=S)(OCC)OC1=NC=CN=C1 1.700     Y
+22224-92-6 CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C 2.800     Y
*5598-13-0 COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl 3.450     Y
*994-22-9 CCOP(=S)(CC)SC1=CC=CC=C1 3.440     Y
*18708-87-7 CCOP(=O)(OCC)O/C(=C\Cl)/C1=C(C=C(C=C1)Cl)Cl 3.380     Y
-950-37-8 COC1=NN(C(=O)S1)CSP(=S)(OC)OC 2.850     Y
*2310-17-0 CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O 3.150     Y
#52645-53-1 CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C 5.470     Y
+63-25-2 CNC(=O)OC1=CC=CC2=CC=CC=C21 1.090     Y
+116-06-3 CC(C)(/C=N/OC(=O)NC)SC 0.350     Y
+1563-66-2 CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C 0.770     Y
*3547-04-4 CC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl 5.210     Y
+2642-81-1 C=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl 5.480     Y
#2642-80-0 C1=CC(=CC=C1C(CCl)C2=CC=C(C=C2)Cl)Cl 4.790     Y
#25154-52-3 CCCCCCCCCC1=CC=CC=C1O 3.490     Y
-27193-28-8 CC(C)(C)CC(C)(C)C1=CC=CC=C1O 3.280     Y
+108-95-2 C1=CC=C(C=C1)O -0.530    Y
-108-39-4 CC1=CC(=CC=C1)O -0.030    Y
-108-68-9 CC1=CC(=CC(=C1)O)C 0.420     Y
+123-07-9 CCC1=CC=C(C=C1)O 0.600     Y
-95-57-8 C1=CC=C(C(=C1)O)Cl 0.560     Y
-108-43-0 C1=CC(=CC(=C1)Cl)O 0.310     Y
-87-86-5 C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O 2.650     Y
*886-50-0 CCNC1=NC(=NC(=N1)SC)NC(C)(C)C 3.670     Y
-7287-19-6 CC(C)NC1=NC(=NC(=N1)SC)NC(C)C 4.440     Y
*5915-41-3 CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C 4.250     Y
-834-12-8 CCNC1=NC(=NC(=N1)SC)NC(C)C 4.330     Y
+7286-69-3 CCC(C)NC1=NC(=NC(=N1)NCC)Cl 3.640     Y
-139-40-2 CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C 3.600     Y
-1912-24-9 CCNC1=NC(=NC(=N1)Cl)NC(C)C 2.340     Y
#1610-18-0 CC(C)NC1=NC(=NC(=N1)OC)NC(C)C 2.940     Y
+5436-43-1 C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br 5.890     Y
-60348-60-9 C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br 6.300     Y
-68631-49-2 C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br 6.520     Y
-207122-16-5 C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br 6.610     Y
*623-12-1 COC1=CC=C(C=C1)Cl 2.370     Y
-1746-01-6 C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl 5.590     Y
-40321-76-4 C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl 5.710     Y
-39227-28-6 C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl 5.890     Y
-126-71-6 CC(C)COP(=O)(OCC(C)C)OCC(C)C 4.680     Y
+126-73-8 CCCCOP(=O)(OCCCC)OCCCC 5.000     Y
#1241-94-7 CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 5.390     Y
#115-86-6 C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3 4.940     Y
+78-30-8 CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C 5.500     Y
-563-04-2 CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C 5.770     Y
#78-32-0 CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C 5.850     Y
*93-58-3 COC(=O)C1=CC=CC=C1 1.650     Y
*93-89-0 CCOC(=O)C1=CC=CC=C1 2.120     Y
-122-79-2 CC(=O)OC1=CC=CC=C1 0.860     Y
*67-66-3 C(Cl)(Cl)Cl 1.710     Y
+71-55-6 CC(Cl)(Cl)Cl 2.750     Y
#630-20-6 C(C(Cl)(Cl)Cl)Cl 2.660     Y
-79-34-5 C(C(Cl)Cl)(Cl)Cl 2.170     Y
*78-87-5 CC(CCl)Cl 2.100     Y
#79-01-6 C(=C(Cl)Cl)Cl 2.410     Y
#124-48-1 C(Cl)(Br)Br 2.160     Y
#75-25-2 C(Br)(Br)Br 1.870     Y
+62-53-3 C1=CC=C(C=C1)N 0.010     Y
#95-51-2 C1=CC=C(C(=C1)N)Cl 1.040     Y
-106-47-8 C1=CC(=CC=C1N)Cl 0.840     Y
-95-76-1 C1=CC(=C(C=C1N)Cl)Cl 1.390     Y
#98-95-3 C1=CC=C(C=C1)[N+](=O)[O-] 1.210     Y
+100-47-0 C1=CC=C(C=C1)C#N 1.040     Y
*260-94-6 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 3.170     Y
#91-20-3 C1=CC=C2C=CC=CC2=C1 2.990     Y
*208-96-8 C1=CC2=C3C(=C1)C=CC3=CC=C2 3.210     Y
#83-32-9 C1CC2=CC=CC3=C2C1=CC=C3 3.550     Y
*86-73-7 C1C2=CC=CC=C2C3=CC=CC=C31 3.680     Y
+85-01-8 C1=CC=C2C(=C1)C=CC3=CC=CC=C32 3.880     Y
#120-12-7 C1=CC=C2C=C3C=CC=CC3=CC2=C1 3.970     Y
*206-44-0 C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4 4.350     Y
*129-00-0 C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 4.410     Y
+218-01-9 C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43 4.910     Y
-56-55-3 C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32 4.920     Y
+50-32-8 C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3 5.270     Y
#205-99-2 C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1 5.230     Y
#207-08-9 C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1 5.330     Y
*192-97-2 C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4 5.140     Y
#191-24-2 C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2 5.540     Y
#193-39-5 C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3 5.670     Y
*215-58-7 C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1 5.410     Y
-53-70-3 C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32 5.680     Y
*198-55-0 C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 4.980     Y
*92-52-4 C1=CC=C(C=C1)C2=CC=CC=C2 3.460     Y
#90-12-0 CC1=CC=CC2=CC=CC=C12 3.260     Y
*91-57-6 CC1=CC2=CC=CC=C2C=C1 3.170     Y
*573-98-8 CC1=C(C2=CC=CC=C2C=C1)C 3.470     Y
#581-42-0 CC1=CC2=C(C=C1)C=C(C=C2)C 3.590     Y
+832-69-9 CC1=C2C=CC3=CC=CC=C3C2=CC=C1 4.500     Y
*2051-60-7 C1=CC=C(C=C1)C2=CC=CC=C2Cl 4.160     Y
*2051-61-8 C1=CC=C(C=C1)C2=CC(=CC=C2)Cl 4.190     Y
+2051-62-9 C1=CC=C(C=C1)C2=CC=C(C=C2)Cl 4.620     Y
#13029-08-8 C1=CC=C(C(=C1)C2=CC=CC=C2Cl)Cl 4.520     Y
+16605-91-7 C1=CC=C(C=C1)C2=C(C(=CC=C2)Cl)Cl 4.890     Y
#34883-43-7 C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)Cl 4.210     Y
+33146-45-1 C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl 4.500     Y
+34883-41-5 C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl 4.990     Y
*2050-68-2 C1=CC(=CC=C1C2=CC=C(C=C2)Cl)Cl 4.730     Y
#38444-78-9 C1=CC=C(C(=C1)C2=C(C(=CC=C2)Cl)Cl)Cl 5.120     Y
#37680-66-3 C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl 4.850     Y
*37680-65-2 C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl 4.930     Y
+55702-46-0 C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl 5.330     Y
-38444-85-8 C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl 5.300     Y
#7012-37-5 C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl 5.060     Y
+15862-07-4 C1=CC=C(C=C1)C2=CC(=C(C=C2Cl)Cl)Cl 5.330     Y
+35693-92-6 C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl 5.180     Y
+16606-02-3 C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl 5.360     Y
*38444-86-9 C1=CC=C(C(=C1)C2=CC(=C(C=C2)Cl)Cl)Cl 5.180     Y
#37680-69-6 C1=CC(=CC(=C1)Cl)C2=CC(=C(C=C2)Cl)Cl 5.270     Y
#38444-90-5 C1=CC(=CC=C1C2=CC(=C(C=C2)Cl)Cl)Cl 5.230     Y
#52663-59-9 C1=CC=C(C(=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl 5.490     Y
*41464-39-5 C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl 5.400     Y
*2437-79-8 C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 5.690     Y
*70362-47-9 C1=CC=C(C(=C1)C2=CC(=C(C=C2Cl)Cl)Cl)Cl 5.490     Y
*41464-40-8 C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl 5.660     Y
-62796-65-0 C1=CC=C(C(=C1)C2=C(C=C(C=C2Cl)Cl)Cl)Cl 5.610     Y
*35693-99-3 C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl 5.380     Y
*41464-41-9 C1=CC(=C(C(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl)Cl 5.180     Y
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-41464-43-1 C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl 5.920     Y
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Total number of objects in set is 284
