-51-03-6 CCCc1cc2OCOc2cc1COCCOCCOCCCC     1.740
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-76-06-2 ClC(Cl)(Cl)[N+]([O-])=O     4.500
*79-09-4 CCC(=O)O     0.040
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*98-01-1 O=Cc1ccco1     1.500
#2439-01-2 Cc1ccc2nc3SC(=O)Sc3nc2c1     3.260
-4299-07-4 O=C1c2ccccc2SN1CCCC     3.090
-7673-09-8 ClNc1nc(NCl)nc(NCl)n1     2.060
*100-02-7 O=[N+]([O-])c1ccc(O)cc1     1.490
#101-21-3 Clc1cc(NC(=O)OC(C)C)ccc1     1.570
*10222-01-2 BrC(Br)(C#N)C(N)=O     2.020
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*104653-34-1 Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C=5C(=O)c6ccccc6SC=5O     4.020
#105512-06-9 O=C(OCC#C)[C@@H](C)Oc1ccc(cc1)Oc2ncc(Cl)cc2F     2.950
-105726-67-8 CC(C)CCC(C)(CC)C(=O)NC     0.410
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*1071-83-6 OC(=O)CNCP(=O)(O)O     0.100
*107534-96-3 OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C     1.840
-108-62-3 CC1OC(C)OC(C)OC(C)O1     0.410
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*1114-71-2 O=C(SCCC)N(CCCC)CC     1.440
-111988-49-9 Clc2ncc(CN1CCS\C1=N\C#N)cc2     0.920
*112-05-0 O=C(O)CCCCCCCC     0.240
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#112143-82-5 CC(C)(C)c1nc(SCC(=O)OCC)n(n1)C(=O)N(C)C     2.770
*112281-77-3 FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl     1.980
*1134-23-2 CCN(C(=O)SCC)C1CCCCC1     1.490
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#114369-43-6 Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3     2.350
-115-29-7 ClC2=C(Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl     5.690
#115-32-2 OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl     3.480
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*116255-48-2 BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl     2.350
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#117718-60-2 CC(C)Cc1c(c(nc(C(F)F)c1C(=O)OC)C(F)(F)F)C2=NCCS2     2.070
-118-52-5 O=C1N(Cl)C(=O)N(Cl)C1(C)C     2.340
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-1192-52-5 O=C1SSC(Cl)=C1Cl     4.130
#119446-68-3 Clc1ccc(cc1)Oc2ccc(c(Cl)c2)[C@@]4(Cn3ncnc3)OC[C@@H](C)O4     2.580
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-120116-88-3 N#Cc2nc(Cl)c(c1ccc(C)cc1)n2S(=O)(=O)N(C)C     4.990
#120-32-1 Oc2ccc(Cl)cc2Cc1ccccc1     2.480
-120-36-5 Clc1cc(Cl)ccc1OC(C)C(=O)O     2.670
*120-51-4 O=C(OCc1ccccc1)c2ccccc2     2.180
+120928-09-8 CC(C)(C)c1ccc(cc1)CCOc3ncnc2ccccc23     4.430
+120-94-5 CN1CCCC1    -1.550
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#121-75-5 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC     3.290
#122-39-4 c1ccccc1Nc2ccccc2     1.890
+122453-73-0 CCOCn1c(c(C#N)c(Br)c1C(F)(F)F)c2ccc(Cl)cc2     4.740
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#124495-18-7 Fc1ccc(cc1)Oc2ccnc3cc(Cl)cc(Cl)c23     3.060
#125225-28-7 Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2     2.340
+126-11-4 O=[N+]([O-])C(CO)(CO)CO    -0.440
#126833-17-8 O=C(Nc1ccc(O)c(Cl)c1Cl)C2(C)CCCCC2     2.350
#128639-02-1 O=C(OCC)C(Cl)Cc1cc(c(F)cc1Cl)N2N=C(C)N(C2=O)C(F)F     2.410
-131807-57-3 CC2(OC(=O)N(Nc1ccccc1)C2=O)c4ccc(Oc3ccccc3)cc4     4.490
#131860-33-8 O=C(OC)\C(=C\OC)c3ccccc3Oc2cc(Oc1ccccc1C#N)ncn2     2.930
*13194-48-4 CCCSP(=O)(SCCC)OCC     2.320
+132-66-1 O=C(O)c1ccccc1C(=O)Nc3cccc2ccccc23     0.580
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*134-20-3 Nc1ccccc1C(=O)OC     0.770
*134605-64-4 O=C(OCC=C)C(C)(C)OC(=O)c1cc(ccc1Cl)N2C(=O)C=C(N(C)C2=O)C(F)(F)F     2.090
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-135158-54-2 O=C(SC)c1cccc2nnsc12     2.380
-135590-91-9 O=C(OCC)C2(C)CC(=NN2c1ccc(Cl)cc1Cl)C(=O)OCC     1.950
-136-45-8 O=C(OCCC)c1cnc(cc1)C(=O)OCCC     2.400
#13684-56-5 O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2     2.250
*13684-63-4 O=C(Oc1cccc(c1)NC(=O)OC)Nc2cc(C)ccc2     2.330
#137-26-8 CN(C)C(=S)SSC(=S)N(C)C     3.270
+138261-41-3 [O-][N+](=O)/N=C2\NCCN2Cc1cnc(Cl)cc1     0.050
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#142459-58-3 O=C(COc1nnc(s1)C(F)(F)F)N(c2ccc(F)cc2)C(C)C     2.020
*143390-89-0 O=C(OC)/C(=N\OC)c2ccccc2COc1ccccc1C     3.220
*14433-76-2 CN(C)C(=O)CCCCCCCCC     0.980
-148-79-8 n1c3ccccc3nc1c2cscn2     2.560
#149877-41-8 COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2     2.600
-156052-68-5 Clc1cc(cc(Cl)c1C)C(=O)NC(C)(CC)C(=O)CCl     3.330
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#1596-84-5 O=C(NN(C)C)CCC(=O)O     0.030
#15972-60-8 ClCC(=O)N(COC)c1c(cccc1CC)CC     2.180
-16079-88-2 O=C1N(Cl)C(=O)N(Br)C1(C)C     2.510
#1610-18-0 COc1nc(NC(C)C)nc(NC(C)C)n1     1.050
*161326-34-7 CSC2=N[C@](C)(C(=O)N2Nc1ccccc1)c3ccccc3     2.620
+163269-30-5 O=S3CCON=C3c1cc2ccccc2s1     3.760
#163515-14-8 Cc1csc(C)c1N(C(C)COC)C(=O)CCl     1.640
#163520-33-0 CCOC(=O)C=1CC(ON=1)(c2ccccc2)c3ccccc3     2.940
-1646-88-4 CC(C)(/C=N/OC(=O)NC)S(C)(=O)=O     0.720
-16672-87-0 ClCCP(=O)(O)O     0.080
*16752-77-5 C\C(=N\OC(=O)NC)SC     1.680
+1689-84-5 Brc1cc(cc(Br)c1O)C#N     2.120
#173584-44-6 FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N2N=C3c4ccc(Cl)cc4CC3(OC2)C(=O)OC     2.910
+175013-18-0 O=C(OC)N(OC)c3ccccc3COc1ccn(n1)c2ccc(Cl)cc2     4.800
-178928-70-6 S=C3N=CNN3CC(O)(Cc1ccccc1Cl)C2(Cl)CC2     2.270
*179101-81-6 Cl\C(Cl)=C\COc2cc(Cl)c(OCCCOc1ccc(cn1)C(F)(F)F)c(Cl)c2     2.990
#183675-82-3 O=C(Nc1ccsc1C(C)CC(C)C)c2cn(C)nc2C(F)(F)F     2.970
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*188425-85-6 O=C(Nc2ccccc2c1ccc(Cl)cc1)c3cccnc3Cl     2.100
*188489-07-8 O=C(OCC)COc1cc(c(F)cc1Cl)N2N=CC(=C(C)C2=O)C(F)(F)F     2.040
*1897-45-6 Clc1c(C#N)c(Cl)c(C#N)c(Cl)c1Cl     3.750
-19044-88-3 O=S(N)(=O)c1cc(c(c(c1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O     2.030
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+1918-16-7 CC(C)N(C(=O)CCl)c1ccccc1     3.100
-1928-43-4 Clc1cc(Cl)ccc1OCC(=O)OCC(CC)CCCC     0.540
*1929-73-3 Clc1cc(Cl)ccc1OCC(=O)OCCOCCCC     2.190
#1929-77-7 O=C(SCCC)N(CCC)CCC     1.760
+1929-82-4 ClC(Cl)(Cl)c1cccc(Cl)n1     1.760
+19666-30-9 O=C2OC(=NN2c1cc(OC(C)C)c(Cl)cc1Cl)C(C)(C)C     2.520
*1982-49-6 O=C(N[C@H]1CCCC[C@H]1C)Nc2ccccc2     1.460
-20018-09-1 Cc1ccc(cc1)S(=O)(=O)C(I)I     3.510
*2008-41-5 CC(C)CN(CC(C)C)C(=O)SCC     1.710
*2032-59-9 O=C(Oc1cc(C)c(cc1)N(C)C)NC     1.390
*2032-65-7 Cc1cc(cc(C)c1SC)OC(=O)NC     1.680
*203313-25-1 O=C(OCC)OC2=C(C(=O)NC12CCC(CC1)OC)c3cc(C)ccc3C     2.170
-21087-64-9 O=C1C(=NN=C(SC)N1N)C(C)(C)C     0.450
#2164-17-2 O=C(Nc1cc(ccc1)C(F)(F)F)N(C)C     0.950
*2212-67-1 O=C(SCC)N1CCCCCC1     0.970
#2224-44-4 [O-][N+](=O)C(CC)CN1CCOCC1     2.400
-2227-17-0 ClC1(C(Cl)=C(Cl)C(Cl)=C1Cl)C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl     3.980
-22781-23-3 CNC(=O)Oc1cccc2OC(C)(C)Oc12     2.160
+23031-36-9 O=C2CC(OC(=O)C1C(/C=C(\C)C)C1(C)C)C(C)=C2CC#C     4.400
#2303-17-5 Cl/C(Cl)=C(/Cl)CSC(=O)N(C(C)C)C(C)C     2.400
+2310-17-0 CCOP(=S)(OCC)SCN1c2ccc(Cl)cc2OC1=O     2.770
*23103-98-2 Cc1nc(nc(OC(=O)N(C)C)c1C)N(C)C     0.480
*23135-22-0 O=C(C(=N\OC(=O)NC)\SC)N(C)C     1.720
#23564-05-8 S=C(Nc1ccccc1NC(=S)NC(=O)OC)NC(=O)OC     1.490
+239110-15-7 Clc2cccc(Cl)c2C(=O)NCc1ncc(cc1Cl)C(F)(F)F     3.040
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-240494-70-6 C\C=C\C2C(C(=O)OCc1c(F)c(F)c(COC)c(F)c1F)C2(C)C     5.480
+25168-15-4 Clc1cc(OCC(=O)OCCCCCC(C)C)c(Cl)cc1Cl     1.340
#25168-26-7 Clc1cc(Cl)ccc1OCC(=O)OCCCCCC(C)C     1.180
-2527-66-4 O=C1c2ccccc2SN1C     2.840
#25311-71-1 S=P(Oc1ccccc1C(=O)OC(C)C)(NC(C)C)OCC     2.280
-2536-31-4 O=C(OC)C3(O)c1ccccc1c2ccc(Cl)cc23     1.990
+2593-15-9 ClC(Cl)(Cl)c1nc(OCC)sn1     2.510
+26002-80-2 C/C(C)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C     4.320
+26225-79-6 CS(=O)(=O)Oc1cc2c(cc1)OC(OCC)C2(C)C     1.400
#2634-33-5 O=C2NSc1ccccc12     1.980
-26530-20-1 O=C1C=CSN1CCCCCCCC     3.510
#2665-13-6 CC2CCOB(OC(C)CCOB1OCCC(C)O1)O2     0.610
#2675-77-6 COc1cc(Cl)c(cc1Cl)OC     1.750
#27314-13-2 FC(F)(F)c1cc(ccc1)N2N=CC(NC)=C(Cl)C2=O     1.570
-28159-98-0 CSc2nc(NC1CC1)nc(NC(C)(C)C)n2     2.480
+28249-77-6 Clc1ccc(CSC(=O)N(CC)CC)cc1     2.350
+283594-90-1 CC(C)(C)CC(=O)OC2=C(C(=O)OC12CCCC1)c3c(C)cc(C)cc3C     4.340
-28434-01-7 O=C(OCc2cc(Cc1ccccc1)oc2)[C@@H]3[C@@H](/C=C(\C)C)C3(C)C     5.740
-2921-88-2 Clc1cc(Cl)c(Cl)nc1OP(=S)(OCC)OCC     4.110
+2939-80-2 ClC(Cl)C(Cl)(Cl)SN1C(=O)[C@H]2CC=CC[C@H]2C1=O     2.840
*29450-45-1 Clc1cc(C)c(OCC(=O)OCC(CC)CCCC)cc1     1.990
*298-04-4 CCSCCSP(=S)(OCC)OCC     1.960
#301-12-2 O=S(CCSP(=O)(OC)OC)CC     2.530
-30560-19-1 O=C(C)NP(=O)(OC)SC    -0.600
*31218-83-4 COP(=S)(NCC)OC(\C)=C/C(=O)OC(C)C     2.030
+314-40-9 CC[C@@H](C)N1C(=O)C(Br)=C(C)NC1=O     0.860
#315-18-4 O=C(Oc1cc(C)c(c(C)c1)N(C)C)NC     1.200
-3244-90-4 CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC     3.570
-330-54-1 Clc1ccc(NC(=O)N(C)C)cc1Cl     2.080
*330-55-2 Clc1ccc(NC(=O)N(C)OC)cc1Cl     1.910
+33245-39-5 [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCCl)CCC)C(F)(F)F     4.470
#333-41-5 Cc1cc(OP(=S)(OCC)OCC)nc(n1)C(C)C     2.880
#33629-47-9 [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1NC(C)CC)C(C)(C)C     2.900
*3380-34-5 Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O     3.000
#33820-53-0 [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C     2.590
-3383-96-8 COP(=S)(OC)Oc1ccc(cc1)Sc2ccc(cc2)OP(=S)(OC)OC     1.690
*34014-18-1 CC(C)(C)c1nnc(s1)N(C)C(=O)NC     0.200
*34256-82-1 ClCC(=O)N(COCC)c1c(C)cccc1CC     2.350
-35367-38-5 Clc2ccc(NC(=O)NC(=O)c1c(F)cccc1F)cc2     0.350
-3547-33-9 OCCSCCCCCCCC     1.820
#35554-44-0 Clc2ccc(C(OCC=C)Cn1ccnc1)c(Cl)c2     2.170
+35691-65-7 N#CCCC(Br)(CBr)C#N     2.180
*361377-29-9 Clc4ccccc4Oc3ncnc(Oc2ccccc2C(=N\OC)\C=1OCCON=1)c3F     3.020
*36734-19-7 O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1     1.900
#3689-24-5 CCOP(=S)(OCC)OP(=S)(OCC)OCC     2.510
*3691-35-8 Clc1ccc(cc1)C(c2ccccc2)C(=O)C4C(=O)c3ccccc3C4=O     2.920
+374726-62-2 Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2     1.970
+37764-25-3 ClC(Cl)C(=O)N(CC=C)CC=C     0.170
-3861-41-4 Brc1cc(cc(Br)c1OC(=O)CCC)C#N     4.080
#38727-55-8 ClCC(=O)N(CC(=O)OCC)c1c(cccc1CC)CC     2.040
+39300-45-3 O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)CCCCCC)\C=C\C     4.200
*39515-40-7 C/C(C)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C     6.010
#40487-42-1 [O-][N+](=O)c1c(C)c(C)cc([N+]([O-])=O)c1NC(CC)CC     3.310
-41198-08-7 Brc1cc(Cl)c(OP(=O)(OCC)SCCC)cc1     4.170
+42509-83-1 CC(C)n1nc(OP(=S)(OC)OC)nc1Cl     4.180
*42874-03-3 Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F     2.950
#43121-43-3 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2     1.860
-4437-85-8 O=C1OCC(CC)O1    -0.600
#4602-84-0 C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CO     2.090
*50471-44-8 O=C1N(C(=O)O[C@@]1(C)C=C)c2cc(Cl)cc(Cl)c2     2.000
*510-15-6 OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(=O)OCC     2.400
#51338-27-3 Clc2cc(Cl)ccc2Oc1ccc(OC(C)C(=O)OC)cc1     2.280
*51596-11-3 OC3C(C)=CC4C(=O)OC1CC(OC2(C1)CCC(C)C(CC)O2)CC=C(C)CC(C)C=CC=C5COC3C45O     5.080
+51630-58-1 Clc1ccc(cc1)C(C(C)C)C(=O)OC(C#N)c3cccc(Oc2ccccc2)c3     6.210
-52292-17-8 CC(C)CCCCCCCCCCCCCCCOCCOCCO     0.560
*52315-07-8 Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C     5.670
*5234-68-4 O=C(Nc1ccccc1)C=2SCCOC=2C     2.070
+52-51-7 [O-][N+](=O)C(Br)(CO)CO     1.000
*52645-53-1 Cl\C(Cl)=C/C3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C     4.870
#52-68-6 OC(C(Cl)(Cl)Cl)P(=O)(OC)OC     2.160
*52918-63-5 Br\C(Br)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C     5.740
+53042-79-8 CC(=O)OCCCCCC\C=C/CC\C=C\CCCC     0.470
+53112-28-0 Cc2cc(C)nc(Nc1ccccc1)n2     1.290
#533-74-4 S=C1SCN(C)CN1C     1.000
#542-75-6 Cl\C=C/CCl     1.450
+5437-45-6 BrCC(=O)OCc1ccccc1     3.260
+55179-31-2 CC(C)(C)[C@H](O)[C@H](Oc1ccc(cc1)c2ccccc2)n3cncn3     2.190
#55219-65-3 CC(C)(C)[C@@H](O)[C@H](Oc1ccc(Cl)cc1)n2cncn2     1.320
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*55-38-9 Cc1cc(ccc1SC)OP(=S)(OC)OC     2.530
-55406-53-6 O=C(NCCCC)OCC#CI     3.590
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-5598-13-0 Clc1cc(Cl)c(Cl)nc1OP(=S)(OC)OC     4.410
*56073-10-0 Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6OC5=O     4.320
#563-12-2 S=P(SCSP(=S)(OCC)OCC)(OCC)OCC     2.890
*56425-91-3 OC(C(C)C)(c1cncnc1)c2ccc(OC(F)(F)F)cc2     1.300
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*59-50-7 Oc1ccc(Cl)c(C)c1     2.190
#59669-26-0 CN(SN(C)C(=O)O\N=C(\C)SC)C(=O)O\N=C(\C)SC     2.010
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*60207-90-1 Clc1ccc(c(Cl)c1)C3(Cn2ncnc2)OCC(CCC)O3     2.600
*60-51-5 COP(=S)(OC)SCC(=O)NC     1.490
*624-92-0 CSSC     1.990
-62-73-7 COP(=O)(OC)O\C=C(\Cl)Cl     3.340
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#6317-18-6 N#CSCSC#N     2.730
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#64700-56-7 Clc1cc(Cl)c(Cl)nc1OCC(=O)OCCOCCCC     2.740
#66332-96-5 CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F     1.780
#66841-25-6 BrC(Br)(Br)[C@@H](Br)[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C     5.620
#67485-29-4 CC3(C)CN/C(=N\N=C(/C=C/c1ccc(cc1)C(F)(F)F)\C=C\c2ccc(cc2)C(F)(F)F)NC3     3.490
#67564-91-4 CC2CN(CC(C)Cc1ccc(cc1)C(C)(C)C)CC(C)O2     1.940
*68085-85-8 Cl\C(=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F     5.920
*68157-60-8 Clc2cc(NC(=O)Nc1ccccc1)ccn2     1.430
#68359-37-5 Cl\C(Cl)=C/C3C(C(=O)OC(C#N)c2ccc(F)c(Oc1ccccc1)c2)C3(C)C     6.160
#68694-11-1 FC(F)(F)c2cc(Cl)ccc2\N=C(/COCCC)n1ccnc1     2.780
-69409-94-5 Clc3cc(ccc3NC(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F     5.240
*69806-50-4 O=C(OCCCC)C(C)Oc1ccc(cc1)Oc2ccc(cn2)C(F)(F)F     2.430
*71283-80-2 O=C(OCC)[C@@H](C)Oc1ccc(cc1)Oc2nc3ccc(Cl)cc3o2     2.800
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-71751-41-2 C[C@H]4C=CC=C6CO[C@@H]7[C@H](O)C(C)=C[C@@H](C(=O)O[C@@H]5C[C@]1(C=C[C@H](C)[C@H](O1)C(C)C)O[C@H](CC=C(C)[C@H]4O[C@@H]3O[C@@H](C)[C@H](O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)[C@@H](OC)C3)C5)[C@]67O.CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(C)=CC[C@@H]6C[C@H](OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@]7(O6)C=C[C@H](C)[C@H](O7)[C@@H](C)CC     5.380
#7212-44-4 C/C(C)=C\CCC(\C)=C\CCC(C)(O)C=C     2.090
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*7287-19-6 CSc1nc(NC(C)C)nc(NC(C)C)n1     1.920
-72963-72-5 O=C2CN(CC#C)C(=O)N2COC(=O)C1C(/C=C(\C)C)C1(C)C     3.900
*732-11-6 COP(=S)(OC)SCN2C(=O)c1ccccc1C2=O     3.140
-74051-80-2 CCC\C(NOCC)=C1/C(=O)CC(CC(C)SCC)CC1=O     0.280
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#759-94-4 CCCN(CCC)C(=O)SCC     0.980
*76578-14-8 O=C(OCC)C(C)Oc1ccc(cc1)Oc2cnc3cc(Cl)ccc3n2     2.630
*7664-38-2 O=P(O)(O)O     0.050
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#7696-12-0 C\C(C)=C/C3C(C(=O)OCN2C(=O)C=1CCCCC=1C2=O)C3(C)C     4.950
-7747-35-5 CCC12COCN2COC1    -0.190
*7779-27-3 CCN1CN(CN(CC)C1)CC     0.690
#78-48-8 CCCCSP(=O)(SCCCC)SCCCC     2.270
#78-70-6 CC(O)(C=C)CC\C=C(\C)C     0.730
#79622-59-6 [O-][N+](=O)c2cc(c(Cl)c(c2Nc1ncc(cc1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F     3.630
-80844-07-1 CCOc1ccc(cc1)C(C)(C)COCc3cc(Oc2ccccc2)ccc3     5.060
-81335-77-5 C[C@@]1(N=C(NC1=O)c2ncc(CC)cc2C(=O)O)C(C)C    -0.080
*82633-79-2 CN2SC=1CCCC=1C2=O     2.240
#82-68-8 Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)[N+]([O-])=O     2.970
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-83-79-4 C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2     5.150
-85264-33-1 Cc1cc(C)nn1CO     0.010
*858954-83-3 O=C(OC)c1nc(nc(N)c1Cl)C2CC2     1.210
-86209-51-0 O=C(Nc1nc(cc(OC(F)F)n1)OC(F)F)NS(=O)(=O)c2ccccc2C(=O)OC     0.350
#865363-39-9 Clc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(CC)CCCC     1.640
-86-87-3 O=C(O)Cc2cccc1ccccc12     0.820
+87392-12-9 Clc3ccc(/N=C(/SCc1ccc(Cl)cc1)Cn2cncn2)c(Cl)c3     1.380
*874967-67-6 FC(F)c4nn(C)cc4C(=O)Nc3ccccc3C2CC2C1CC1     2.520
#87674-68-8 Cc1csc(C)c1N(C(=O)CCl)[C@@H](C)COC     2.030
-87-86-5 Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl     3.550
+87-90-1 ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O     2.800
#88-04-0 Oc1cc(C)c(Cl)c(C)c1     2.310
*88-30-2 O=[N+]([O-])c1ccc(O)cc1C(F)(F)F     2.030
#90-43-7 Oc2ccccc2c1ccccc1     1.630
+90982-32-4 O=C(Nc1nc(cc(Cl)n1)OC)NS(=O)(=O)c2ccccc2C(=O)OCC     1.690
#91-20-3 c1cccc2ccccc12     1.810
-91465-08-6 Cl\C(=C/[C@@H]3[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C)C(F)(F)F     6.270
-91-53-2 CCOc1ccc2NC(C)(C)C=C(C)c2c1     1.080
*92-52-4 c1cc(ccc1)c2ccccc2     1.920
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-944-22-9 S=P(Sc1ccccc1)(CC)OCC     3.690
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-94-75-7 Clc1cc(Cl)ccc1OCC(=O)O    -0.210
-94-80-4 Clc1cc(Cl)ccc1OCC(=O)OCCCC     2.840
*94-82-6 Clc1cc(Cl)ccc1OCCCC(=O)O     1.240
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*950782-86-2 CC(F)c3nc(N)nc(NC1C(C)Cc2ccc(C)cc12)n3     2.720
-95266-40-3 O=C(OCC)C1CC(=O)/C(C(=O)C1)=C(/O)C2CC2     0.580
-95465-99-9 CC[C@H](C)SP(=O)(S[C@@H](C)CC)OCC     3.310
#96182-53-5 CC(C)(C)c1ncc(OP(=S)(OCC)OC(C)C)cn1     2.160
-96489-71-3 CC(C)(C)N2N=CC(SCc1ccc(cc1)C(C)(C)C)=C(Cl)C2=O     5.200
#97886-45-8 FC(F)(F)c1nc(c(c(CC(C)C)c1C(=O)SC)C(=O)SC)C(F)F     2.940
-98886-44-3 CC(CC)SP(=O)(OCC)N1CCSC1=O     0.410
*99-30-9 Clc1cc(cc(Cl)c1N)[N+]([O-])=O     2.570
