*51-03-6 CCCc1cc2OCOc2cc1COCCOCCOCCCC    1.740
*68-12-2 CN(C)C=O   -1.990
*76-06-2 ClC(Cl)(Cl)[N+]([O-])=O    4.500
*79-09-4 CCC(=O)O    0.040
*94-11-1 Clc1cc(Cl)ccc1OCC(=O)OC(C)C    2.580
*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
*102851-06-9 Clc3cc(ccc3NC(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F    5.740
*104040-78-0 O=S(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)c2ncccc2C(F)(F)F    0.550
*104-55-2 O=C\C=C\c1ccccc1    1.900
*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
*10605-21-7 O=C(OC)Nc1nc2ccccc2n1    2.160
*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
*110488-70-5 O=C(\C=C(/c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2)N3CCOCC3    1.800
*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
*112-12-9 CC(=O)CCCCCCCCC    1.750
*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
*114-26-1 CC(C)Oc1ccccc1OC(=O)NC    1.750
*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
*116-06-3 CC(C)(\C=N\OC(=O)NC)SC    2.530
*116255-48-2 BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl    2.350
*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
*119168-77-3 Clc2c(C(=O)NCc1ccc(cc1)C(C)(C)C)n(C)nc2CC    4.270
*1192-52-5 O=C1SSC(Cl)=C1Cl    4.130
*120068-37-3 FC(F)(F)S(=O)c1c(N)n(nc1C#N)c2c(Cl)cc(cc2Cl)C(F)(F)F    3.250
*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
*121552-61-2 Cc2cc(nc(Nc1ccccc1)n2)C3CC3    1.970
*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
*122454-29-9 Brc1c(C#N)c(nc1C(F)(F)F)c2ccc(Cl)cc2    5.430
*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
*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
*133-07-3 ClC(Cl)(Cl)SN2C(=O)c1ccccc1C2=O    4.300
*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
*134-62-3 Cc1cccc(c1)C(=O)N(CC)CC    0.430
*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
*138-86-3 CC1=CCC(CC1)C(C)=C    0.230
*141112-29-0 O=C(c2cnoc2C1CC1)c3ccc(cc3S(C)(=O)=O)C(F)(F)F    0.350
*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
*1563-66-2 CNC(=O)Oc1cccc2CC(C)(C)Oc12    2.720
*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
*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
*1861-32-1 Clc1c(C(=O)OC)c(Cl)c(Cl)c(C(=O)OC)c1Cl    1.700
*1861-40-1 CC(C)N(CCC(=O)OCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12    3.620
*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
*1912-24-9 Clc1nc(NCC)nc(NC(C)C)n1    1.610
*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
*23950-58-5 Clc1cc(cc(Cl)c1)C(=O)NC(C)(C)C#C    1.380
*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
*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
*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
*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
*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
*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
*36734-19-7 O=C2CN(C(=O)NC(C)C)C(=O)N2c1cc(Cl)cc(Cl)c1    1.900
*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
*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
*55283-68-6 CCOc2nc(nc(NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC)n2)NC    3.950
*55-38-9 Cc1cc(ccc1SC)OP(=S)(OC)OC    2.530
*55406-53-6 O=C(NCCCC)OCC#CI    3.590
*556-61-6 C\N=C=S    3.150
*5598-13-0 Clc1cc(Cl)c(Cl)nc1OP(=S)(OC)OC    4.410
*56425-91-3 OC(C(C)C)(c1cncnc1)c2ccc(OC(F)(F)F)cc2    1.300
*56-72-4 CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C(Cl)=C2C    1.790
*57837-19-1 C[C@@H](N(C(=O)COC)c1c(C)cccc1C)C(=O)OC    0.330
*57966-95-7 N#C\C(=N\OC)C(=O)NC(=O)NCC    0.510
*58842-20-9 O=[N+]([O-])\C=C1\NCCCS1    0.140
*5902-51-2 O=C1NC(C)=C(Cl)C(=O)N1C(C)(C)C    0.670
*5915-41-3 Clc1nc(NCC)nc(NC(C)(C)C)n1    1.830
*59-50-7 Oc1ccc(Cl)c(C)c1    2.190
*59756-60-4 CN1C=C(C(=O)C(=C1)c2cc(ccc2)C(F)(F)F)c3ccccc3    1.810
*60168-88-9 O[C@@](c1ccccc1Cl)(c2cncnc2)c3ccc(Cl)cc3    2.030
*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
*62924-70-3 Clc2cccc(F)c2CN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O    4.240
*6317-18-6 N#CSCSC#N    2.730
*64359-81-5 ClC=1SN(CCCCCCCC)C(=O)C=1Cl    5.020
*643-79-8 O=Cc1ccccc1C=O    3.270
*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
*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
*7166-19-0 Br/C(=C/c1ccccc1)[N+]([O-])=O    3.930
*7212-44-4 C/C(C)=C\CCC(\C)=C\CCC(C)(O)C=C    2.090
*72490-01-8 O=C(OCC)NCCOc1ccc(cc1)Oc2ccccc2    2.660
*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
*741-58-2 O=S(=O)(NCCSP(=S)(OC(C)C)OC(C)C)c1ccccc1    2.560
*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
*76674-21-0 OC(Cn1cncn1)(c2ccccc2F)c3ccc(F)cc3    0.690
*76738-62-0 OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C    1.020
*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
*834-12-8 CSc1nc(NCC)nc(NC(C)C)n1    1.800
*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
*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
*91-53-2 CCOc1ccc2NC(C)(C)C=C(C)c2c1    1.080
*92-52-4 c1cc(ccc1)c2ccccc2    1.920
*94361-06-5 OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3    1.190
*944-22-9 S=P(Sc1ccccc1)(CC)OCC    3.690
*94-74-6 Clc1cc(C)c(OCC(=O)O)cc1    0.350
*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
*950-37-8 O=C1SC(=NN1CSP(=S)(OC)OC)OC    4.480
*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
