50-00-0	O=C	0.35
50-02-2	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)	1.89
50-03-3	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))C	2.19
50-06-6	O=C2NC(=O)C(c1ccccc1)(C(=O)N2)CC	1.47
50-07-7	O=C(OCC4C=1C(=O)C(N)=C(C(=O)C=1N3CC2NC2C34(OC))C)N	-0.4
50-11-3	O=C1NC(=O)C(C(=O)N1C)(CC)CC	1.15
50-12-4	O=C2NC(c1ccccc1)(C(=O)N2C)CC	1.69
50-18-0	O=P1(OCCCN1)N(CCCl)CCCl	0.63
50-21-5	O=C(O)C(O)C	-0.72
50-22-6	O=C3C=C2CCC1C4CCC(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)	1.94
50-23-7	O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(O)C1C2(C)CC3)	1.61
50-24-8	O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23))(C)	1.62
50-27-1	Oc1ccc2c(c1)CCC3C2CCC4(C)(C(O)C(O)CC34)	2.45
50-28-2	Oc1ccc2c(c1)CCC3C2CCC4(C)(C(O)CCC34)	4.01
50-29-3	c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl	6.91
50-30-6	O=C(O)c1c(cccc1Cl)Cl	2.23
50-32-8	c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45	6.13
50-35-1	O=C3NC(=O)C(N2C(=O)c1ccccc1C2(=O))CC3	0.33
50-36-2	O=C(OC2CC1N(C)C(CC1)C2(C(=O)OC))c3ccccc3	2.3
50-37-3	O=C(N(CC)CC)C4C=C3c2cccc1[nH]cc(c12)CC3N(C)C4	2.95
50-47-5	c1ccc3c(c1)N(c2ccccc2CC3)CCCNC	4.9
50-48-6	c1ccc3c(c1)C(=CCCN(C)C)c2ccccc2CC3	4.92
50-49-7	c1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C	4.8
50-52-2	c1ccc3c(c1)N(c2cc(ccc2S3)SC)CCC4N(C)CCCC4	5.9
50-67-9	Oc1ccc2[nH]cc(c2(c1))CCN	0.21
50-70-4	OCC(O)C(O)C(O)C(O)CO	-2.72
50-71-5	O=C1NC(=O)C(=O)C(=O)N1	-1.84
50-78-2	O=C(O)c1ccccc1(OC(=O)C)	1.19
50-79-3	O=C(O)c1cc(ccc1Cl)Cl	2.82
50-85-1	O=C(O)c1ccc(cc1(O))C	2.99
50-86-2	O=C(O)c1ccc(cc1(O))NC(=O)C	1.62
50-89-5	O=C1NC(=O)N(C=C1C)C2OC(CO)C(O)C2	-0.93
50-91-9	O=C1NC(=O)N(C=C1(F))C2OC(CO)C(O)C2	-1.16
51-03-6	O1c2cc(c(cc2(OC1))CCC)COCCOCCOCCCC	4.75
51-06-9	O=C(NCCN(CC)CC)c1ccc(N)cc1	0.88
51-12-7	O=C(NNCCC(=O)NCc1ccccc1)c2ccncc2	0.87
51-17-2	n1c[nH]c2ccccc12	1.32
51-28-5	O=[N+]([O-])c1ccc(O)c(c1)[N+](=O)[O-]	1.67
51-34-3	O=C(OC1CC3N(C)C(C1)C2OC23)C(c4ccccc4)CO	0.98
51-35-4	O=C(O)C1NCC(O)C1	-3.17
51-36-5	O=C(O)c1cc(cc(c1)Cl)Cl	3
51-41-2	Oc1ccc(cc1(O))C(O)CN	-1.24
51-43-4	Oc1ccc(cc1(O))C(O)CNC	-1.37
51-44-5	O=C(O)c1ccc(c(c1)Cl)Cl	3.25
51-45-6	n1c[nH]cc1CCN	-0.7
51-55-8	O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO	1.83
51-61-6	Oc1ccc(cc1(O))CCN	-0.98
51-66-1	O=C(Nc1ccc(OC)cc1)C	1.03
51-75-2	N(C)(CCCl)CCCl	0.91
51-79-6	O=C(OCC)N	-0.15
52-01-7	O=C1OC3(CC1)(CCC2C5C(CCC23(C))C4(C(=CC(=O)CC4)CC5SC(=O)C)(C))	2.52
52-24-4	N1(CC1)P(N2CC2)(N3CC3)=S	0.53
52-31-3	O=C1NC(=O)C(C(=O)N1)(C2=CCCCC2)CC	1.77
52-43-7	O=C1NC(=O)C(C(=O)N1)(CC=C)CC=C	1.15
52-44-8	O=C1NC(=O)C2(C(=O)N1)(CCCCC2)	0.91
52-45-9	O=C1NC(NC(=O)C12(CCCCC2))=S	1.78
52-52-8	O=C(O)C1(N)(CCCC1)	-2.28
52-53-9	N#CC(c1ccc(OC)c(OC)c1)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C	3.79
52-68-6	O=P(OC)(OC)C(O)C(Cl)(Cl)Cl	0.51
52-85-7	O=S(=O)(c1ccc(OP(OC)(OC)=S)cc1)N(C)C	2.23
52-86-8	O=C(c1ccc(F)cc1)CCCN3CCC(O)(c2ccc(cc2)Cl)CC3	4.3
52-90-4	O=C(O)C(N)CS	-2.49
53-03-2	O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CCC2(O)(C(=O)CO)))))(C)	1.46
53-06-5	O=C4C=C3CCC2C(C(=O)CC1(C)(C2(CCC1(O)(C(=O)CO))))C3(C)CC4	1.47
53-16-7	O=C2CCC3C4CCc1cc(O)ccc1C4(CCC23(C))	3.13
53-41-8	O=C2CCC3C4CCC1CC(O)CCC1(C)C4(CCC23(C))	3.69
53-43-0	O=C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))	3.23
53-70-3	c1ccc5c(c1)ccc4cc3c(ccc2ccccc23)cc45	6.75
53-79-2	O=C(NC1C(O)C(OC1(CO))n3cnc2c3(ncnc2N(C)C))C(N)Cc4ccc(OC)cc4	0.03
53-86-1	O=C(O)Cc3c1cc(OC)ccc1n(C(=O)c2ccc(cc2)Cl)c3C	4.27
54-04-6	O(c1cc(cc(OC)c1(OC))CCN)C	0.78
54-05-7	n1ccc(NC(C)CCCN(CC)CC)c2ccc(cc12)Cl	4.63
54-11-5	n1cccc(c1)C2N(C)CCC2	1.17
54-12-6	O=C(O)C(N)Cc2c[nH]c1ccccc12	-1.06
54-31-9	O=C(O)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N	2.03
54-32-0	O=C(Oc1cc(c(OCCN(C)C)cc1C)C(C)C)C	3.17
54-42-2	O=C1NC(=O)N(C=C1I)C2OC(CO)C(O)C2	-0.96
54-49-9	Oc1cccc(c1)C(O)C(N)C	-0.27
54-80-8	OC(c1ccc2ccccc2(c1))CNC(C)C	3
54-85-3	O=C(NN)c1ccncc1	-0.7
54-92-2	O=C(NNC(C)C)c1ccncc1	0.37
55-18-5	O=NN(CC)CC	0.48
55-21-0	O=C(N)c1ccccc1	0.64
55-22-1	O=C(O)c1ccncc1	0.32
55-38-9	O(c1ccc(c(c1)C)SC)P(OC)(OC)=S	4.09
55-63-0	O=[N+]([O-])OCC(O[N+](=O)[O-])CO[N+](=O)[O-]	1.62
56-12-2	O=C(O)CCCN	-3.17
56-23-5	C(Cl)(Cl)(Cl)Cl	2.83
56-29-1	O=C1NC(=O)C(C(=O)N1C)(C2=CCCCC2)C	1.98
56-38-2	O=[N+]([O-])c1ccc(OP(OCC)(OCC)=S)cc1	3.83
56-40-6	O=C(O)CN	-3.21
56-41-7	O=C(O)C(N)C	-2.91
56-47-3	O=C(OCC(=O)C2CCC3C4CCC1=CC(=O)CCC1(C)C4(CCC23(C)))C	3.08
56-49-5	c1ccc5c(c1)ccc3c5(cc2ccc(c4c2c3CC4)C)	6.42
56-53-1	Oc1ccc(cc1)C(=C(c2ccc(O)cc2)CC)CC	5.07
56-54-2	OC(c2ccnc1ccc(OC)cc12)C3N4CCC(C3)C(C=C)C4	3.44
56-55-3	c3ccc4cc2c(ccc1ccccc12)cc4(c3)	5.76
56-72-4	O=C2Oc1cc(OP(OCC)(OCC)=S)ccc1C(=C2Cl)C	4.13
56-75-7	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)Cl	1.14
56-81-5	OCC(O)CO	-1.76
56-84-8	O=C(O)CC(N)C(=O)O	-3.89
56-85-9	O=C(O)C(N)CCC(=O)N	-3.64
56-86-0	O=C(O)CCC(N)C(=O)O	-3.69
56-87-1	O=C(O)C(N)CCCCN	-3.05
56-89-3	O=C(O)C(N)CSSCC(N)C(=O)O	-5.08
56-91-7	O=C(O)c1ccc(cc1)CN	1.03
57-10-3	O=C(O)CCCCCCCCCCCCCCC	7.17
57-11-4	O=C(O)CCCCCCCCCCCCCCCCC	8.23
57-13-6	O=C(N)N	-2.11
57-15-8	OC(C)(C)C(Cl)(Cl)Cl	2.03
57-24-9	O=C2N6c1ccccc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)	1.93
57-27-2	Oc5ccc4c1c5(OC2C(O)C=CC3C(N(C)CCC123)C4)	0.89
57-42-1	O=C(OCC)C2(c1ccccc1)(CCN(C)CC2)	2.72
57-43-2	O=C1NC(=O)C(C(=O)N1)(CC)CCC(C)C	2.07
57-44-3	O=C1NC(=O)C(C(=O)N1)(CC)CC	0.65
57-47-6	O=C(Oc1ccc2c(c1)C3(C)(CCN(C)C3(N2C)))NC	1.58
57-50-1	OCC2OC(OC1(OC(CO)C(O)C1(O))(CO))C(O)C(O)C2(O)	-3.7
57-53-4	O=C(OCC(C)(COC(=O)N)CCC)N	0.7
57-55-6	OCC(O)C	-0.92
57-63-6	C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(CCC23(C)))	3.67
57-66-9	O=C(O)c1ccc(cc1)S(=O)(=O)N(CCC)CCC	3.21
57-68-1	O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2	0.89
57-74-9	C2(=C(C3(C1C(CC(C1Cl)Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl	6.16
57-83-0	O=C4C=C3CCC1C(CCC2(C)(C(C(=O)C)CCC12))C3(C)CC4	3.87
57-96-5	O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3CCS(=O)c4ccccc4	2.3
57-97-6	c1ccc2c(c1)ccc4c2c(c3ccccc3c4C)C	5.8
58-00-4	Oc1ccc4c(c1(O))c2cccc3c2C(N(C)CC3)C4	2.3
58-14-0	n1c(nc(c(c1N)c2ccc(cc2)Cl)CC)N	2.69
58-18-4	O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C))))C3(C)CC4	3.36
58-19-5	O=C2CC3CCC1C4CCC(O)C4(C)(CCC1C3(C)(CC2C))	3.99
58-22-0	O=C4C=C3CCC1C(CCC2(C)(C(O)CCC12))C3(C)CC4	3.32
58-27-5	O=C1C=C(C(=O)c2ccccc12)C	2.2
58-37-7	c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)CN(C)C	4.76
58-38-8	c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN4CCN(C)CC4	4.88
58-39-9	OCCN1CCN(CC1)CCCN4c2ccccc2Sc3ccc(cc34)Cl	4.2
58-40-2	c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C	4.55
58-55-9	O=C2c1[nH]cnc1N(C(=O)N2C)C	-0.03
58-73-1	O(CCN(C)C)C(c1ccccc1)c2ccccc2	3.27
58-74-2	n2ccc1cc(OC)c(OC)cc1c2Cc3ccc(OC)c(OC)c3	2.95
58-89-9	C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl	3.86
58-90-2	Oc1c(cc(c(c1Cl)Cl)Cl)Cl	4.45
58-93-5	O=S(=O)(N)c1cc2c(cc1Cl)NCNS2(=O)(=O)	-0.07
59-05-2	O=C(O)CCC(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3(N))N)C(=O)O	-1.85
59-07-4	O=C(O)c1ccc(N)cc1(OCC)	0.99
59-14-3	O=C1NC(=O)N(C=C1Br)C2OC(CO)C(O)C2	-0.29
59-26-7	O=C(c1cnccc1)N(CC)CC	0.33
59-40-5	O=S(=O)(Nc1nc2ccccc2(nc1))c3ccc(N)cc3	1.68
59-42-7	Oc1cccc(c1)C(O)CNC	-0.31
59-46-1	O=C(OCCN(CC)CC)c1ccc(N)cc1	2.14
59-47-2	OCC(O)COc1ccccc1C	1.41
59-50-7	Oc1ccc(c(c1)C)Cl	3.1
59-61-0	OC(c1ccc(c(c1)Cl)Cl)CNC(C)C	3.32
59-63-2	O=C(NNCc1ccccc1)c2noc(c2)C	1.49
59-66-5	O=C(Nc1nnc(s1)S(=O)(=O)N)C	-0.26
59-67-6	O=C(O)c1cnccc1	0.36
59-87-0	O=C(N)NN=Cc1oc(cc1)[N+](=O)[O-]	0.23
59-89-2	O=NN1CCOCC1	-0.44
59-92-7	O=C(O)C(N)Cc1ccc(O)c(O)c1	-2.57
59-98-3	N1=C(NCC1)Cc2ccccc2	2.65
60-09-3	N(=Nc1ccc(N)cc1)c2ccccc2	3.41
60-11-7	N(=Nc1ccc(cc1)N(C)C)c2ccccc2	4.58
60-12-8	OCCc1ccccc1	1.36
60-17-3	O=C(O)C(N)Cc1ccc(F)cc1	-1.89
60-18-4	O=C(O)C(N)Cc1ccc(O)cc1	-2.15
60-29-7	O(CC)CC	0.89
60-32-2	O=C(O)CCCCCN	-2.95
60-33-3	O=C(O)CCCCCCCC=CCC=CCCCCC	7.05
60-34-4	NNC	-1.05
60-35-5	O=C(N)C	-1.26
60-51-5	O=C(NC)CSP(OC)(OC)=S	0.78
60-57-1	O1C2C1C3CC2C4C3C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl	5.3
60-80-0	O=C1C=C(N(N1c2ccccc2)C)C	0.38
60-87-7	c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)C	4.81
60-92-4	O=P3(O)(OCC4OC(n2cnc1c(ncnc12)N)C(O)C4(O3))	-2.96
60-99-1	O(c1ccc3c(c1)N(c2ccccc2S3)CC(C)CN(C)C)C	4.68
61-01-8	O(c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C)C	4.9
61-32-5	O=C(O)C3N2C(=O)C(NC(=O)c1c(OC)cccc1(OC))C2SC3(C)(C)	1.22
61-33-6	O=C(O)C3N2C(=O)C(NC(=O)Cc1ccccc1)C2SC3(C)(C)	1.83
61-54-1	NCCc2c[nH]c1ccccc12	1.55
61-57-4	O=C1NCCN1c2ncc([N+](=O)[O-])s2	0.95
61-68-7	O=C(O)c2ccccc2(Nc1cccc(c1C)C)	5.12
61-72-3	O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2ccccc2Cl)C3SC4(C)(C)	2.48
61-78-9	O=C(O)CNC(=O)c1ccc(N)cc1	-0.89
61-80-3	n1c(oc2ccc(cc12)Cl)N	2.46
61-82-5	n1c[nH]nc1N	-0.86
61-90-5	O=C(O)C(N)CC(C)C	-1.52
62-23-7	O=C(O)c1ccc(cc1)[N+](=O)[O-]	1.89
62-37-3	O=C(N)NCC(OC)C[Hg]Cl	-0.8
62-38-4	O=C(O[Hg]c1ccccc1)C	0.71
62-44-2	O=C(Nc1ccc(OCC)cc1)C	1.58
62-53-3	Nc1ccccc1	0.9
62-56-6	NC(N)=S	-1.08
62-67-9	Oc5ccc4c1c5(OC2C(O)C=CC3C(N(CC=C)CCC123)C4)	1.86
62-73-7	O=P(OC=C(Cl)Cl)(OC)OC	1.47
62-75-9	O=NN(C)C	-0.57
63-05-8	O=C3C=C2CCC1C4CCC(=O)C4(C)(CCC1C2(C)CC3)	2.75
63-25-2	O=C(Oc1cccc2ccccc12)NC	2.36
63-68-3	O=C(O)C(N)CCSC	-1.87
63-74-1	O=S(=O)(N)c1ccc(N)cc1	-0.62
63-75-2	O=C(OC)C1=CCCN(C)C1	0.35
63-91-2	O=C(O)C(N)Cc1ccccc1	-1.41
63-98-9	O=C(N)NC(=O)Cc1ccccc1	0.87
63-99-0	O=C(N)Nc1cccc(c1)C	1.29
64-00-6	O=C(Oc1cccc(c1)C(C)C)NC	2.63
64-04-0	NCCc1ccccc1	1.41
64-10-8	O=C(N)Nc1ccccc1	0.83
64-13-1	O(c1ccc(cc1)CC(N)C)C	1.77
64-17-5	OCC	-0.31
64-18-6	O=CO	-0.54
64-19-7	O=C(O)C	-0.17
64-39-1	O=C(OC2(c1ccccc1)(CC(N(C)CC2(C))C))CC	3.13
64-77-7	O=C(NCCCC)NS(=O)(=O)c1ccc(cc1)C	2.34
64-85-7	O=C4C=C3CCC1C(CCC2(C)(C(C(=O)CO)CCC12))C3(C)CC4	2.88
64-86-8	O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C)	1.3
65-23-6	Oc1c(ncc(c1CO)CO)C	-0.77
65-45-2	O=C(N)c1ccccc1(O)	1.28
65-46-3	O=C1N=C(N)C=CN1C2OC(CO)C(O)C2(O)	-2.51
65-49-6	O=C(O)c1ccc(N)cc1(O)	0.89
65-85-0	O=C(O)c1ccccc1	1.87
66-25-1	O=CCCCCC	1.78
66-28-4	O=CC45(CCC(O)CC5(O)(CCC2C4(CCC3(C)(C(C1=CC(=O)OC1)CCC23(O)))))	0.64
66-71-7	n2cccc3ccc1cccnc1c23	1.78
66-79-5	O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2ccccc2)C3SC4(C)(C)	2.38
66-81-9	O=C1NC(=O)CC(C1)CC(O)C2C(=O)C(C)CC(C)C2	0.55
66-97-7	O=C1Oc2cc3occc3(cc2(C=C1))	1.67
67-20-9	O=C2NC(=O)CN2(N=Cc1oc(cc1)[N+](=O)[O-])	-0.47
67-51-6	n1[nH]c(cc1C)C	1.01
67-52-7	O=C1NC(=O)CC(=O)N1	-1.47
67-56-1	OC	-0.77
67-63-0	OC(C)C	0.05
67-64-1	O=C(C)C	-0.24
67-66-3	C(Cl)(Cl)Cl	1.97
67-68-5	O=S(C)C	-1.35
67-71-0	O=S(=O)(C)C	-1.41
67-72-1	C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl	4.14
67-73-2	O=C1C=CC4(C(=C1)C(F)CC3C5CC2OC(OC2(C(=O)CO)C5(C)(CC(O)C34(F)))(C)C)(C)	2.48
67-78-7	O=C(OCC(=O)C3(O)(C(OC(=O)C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C	1.92
68-11-1	O=C(O)CS	0.09
68-12-2	O=CN(C)C	-1.01
68-22-4	O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3CC4	2.97
68-26-8	OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	5.68
68-35-9	O=S(=O)(Nc1ncccn1)c2ccc(N)cc2	-0.09
68-36-0	c1cc(ccc1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	4.62
68-76-8	O=C1C=C(C(=O)C(=C1N2CC2)N3CC3)N4CC4	-0.13
68-96-2	O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C(=O)C))))C3(C)CC4	3.17
69-23-8	FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(CCO)CC4	4.36
69-33-0	OCC3OC(n2ccc1c(ncnc12)N)C(O)C3(O)	-0.8
69-53-4	O=C(O)C3N2C(=O)C(NC(=O)C(N)c1ccccc1)C2SC3(C)(C)	0.11
69-72-7	O=C(O)c1ccccc1(O)	2.26
70-00-8	O=C1NC(=O)N(C=C1C(F)(F)F)C2OC(CO)C(O)C2	-0.46
70-11-1	O=C(c1ccccc1)CBr	2.19
70-26-8	O=C(O)C(N)CCCN	-4.22
70-30-4	Oc1c(cc(c(c1Cc2c(O)c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl	7.54
70-47-3	O=C(O)C(N)CC(=O)N	-3.82
70-55-3	O=S(=O)(N)c1ccc(cc1)C	0.82
70-70-2	O=C(c1ccc(O)cc1)CC	2.03
71-00-1	O=C(O)C(N)Cc1nc[nH]c1	-3.32
71-23-8	OCCC	0.25
71-33-0	O=C1N=CNC(=O)N1	-1.87
71-36-3	OCCCC	0.88
71-41-0	OCCCCC	1.51
71-43-2	c1ccccc1	2.13
71-55-6	CC(Cl)(Cl)Cl	2.49
71-63-6	O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CCC67(C)))	1.85
72-14-0	O=S(=O)(Nc1nccs1)c2ccc(N)cc2	0.05
72-18-4	O=C(O)C(N)C(C)C	-2.26
72-19-5	O=C(O)C(N)C(O)C	-2.94
72-43-5	O(c1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)C	5.08
72-54-8	c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)Cl)Cl	6.02
72-55-9	c1cc(ccc1C(c2ccc(cc2)Cl)=C(Cl)Cl)Cl	6.51
73-24-5	n1cnc2[nH]cnc2(c1N)	-0.07
73-32-5	O=C(O)C(N)C(C)CC	-1.7
73-48-3	O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NC(NS2(=O)(=O))Cc3ccccc3	1.89
74-11-3	O=C(O)c1ccc(cc1)Cl	2.65
74-82-8	C	1.09
74-84-0	CC	1.81
74-85-1	C=C	1.13
74-86-2	C#C	0.37
74-87-3	CCl	0.91
74-88-4	CI	1.51
74-89-5	NC	-0.57
74-90-8	N#C	-0.25
74-95-3	C(Br)Br	1.7
74-96-4	CCBr	1.61
74-97-5	C(Cl)Br	1.41
74-98-6	CCC	2.36
74-99-7	C#CC	0.94
75-00-3	CCCl	1.43
75-03-6	CCI	2
75-04-7	NCC	-0.13
75-05-8	N#CC	-0.34
75-07-0	O=CC	-0.34
75-09-2	C(Cl)Cl	1.25
75-10-5	FCF	0.2
75-11-6	C(I)I	2.3
75-12-7	O=CN	-1.51
75-15-0	C(=S)=S	1.94
75-19-4	C1CC1	1.72
75-21-8	O1CC1	-0.3
75-25-2	C(Br)(Br)Br	2.4
75-26-3	CC(C)Br	2.14
75-27-4	C(Cl)(Cl)Br	2
75-28-5	CC(C)C	2.76
75-30-9	CC(C)I	2.89
75-31-0	NC(C)C	0.26
75-34-3	CC(Cl)Cl	1.79
75-35-4	C=C(Cl)Cl	2.13
75-37-6	FC(F)C	0.75
75-43-4	FC(Cl)Cl	1.55
75-45-6	FC(F)Cl	1.08
75-46-7	FC(F)F	0.64
75-50-3	N(C)(C)C	0.16
75-52-5	O=[N+]([O-])C	-0.35
75-56-9	O1CC1C	0.03
75-63-8	FC(F)(F)Br	1.86
75-64-9	NC(C)(C)C	0.4
75-65-0	OC(C)(C)C	0.35
75-69-4	FC(Cl)(Cl)Cl	2.53
75-72-9	FC(F)(F)Cl	1.65
75-73-0	FC(F)(F)F	1.18
75-74-1	C[Pb](C)(C)C	2.97
75-76-3	C[Si](C)(C)C	3.24
75-83-2	CCC(C)(C)C	3.82
75-84-3	OCC(C)(C)C	1.31
75-85-4	OC(C)(C)CC	0.89
75-87-6	O=CC(Cl)(Cl)Cl	0.99
75-89-8	FC(F)(F)CO	0.41
75-97-8	O=C(C)C(C)(C)C	1.2
75-98-9	O=C(O)C(C)(C)C	1.48
76-01-7	C(C(Cl)(Cl)Cl)(Cl)Cl	3.22
76-03-9	O=C(O)C(Cl)(Cl)Cl	1.33
76-06-2	O=[N+]([O-])C(Cl)(Cl)Cl	2.09
76-13-1	FC(F)(C(F)(Cl)Cl)Cl	3.16
76-14-2	FC(F)(C(F)(F)Cl)Cl	2.82
76-16-4	FC(F)(F)C(F)(F)F	2
76-22-2	O=C1CC2CCC1(C)C2(C)(C)	2.56
76-25-5	O=C1C=CC4(C(=C1)CCC3C5CC2OC(OC2(C(=O)CO)C5(C)(CC(O)C34(F)))(C)C)(C)	2.53
76-38-0	FC(F)(OC)C(Cl)Cl	2.21
76-41-5	O=C1CCC5(O)(C4N(C)CCC25(c3c(OC12)c(O)ccc3C4))	0.83
76-43-7	O=C3C=C2CCC1C4CCC(O)(C)C4(C)(CC(O)C1(F)C2(C)CC3)	2.38
76-44-8	C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl	6.1
76-57-3	OC1C=CC5C4N(C)CCC25(c3c(OC12)c(OC)ccc3C4)	1.19
76-68-6	O=C1NC(=O)C(C(=O)N1)(CC=C)C2C=CCC2	1.51
76-73-3	O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)CCC	1.97
76-74-4	O=C1NC(=O)C(C(=O)N1)(CC)C(C)CCC	2.1
76-75-5	O=C1NC(NC(=O)C1(CC)C(C)CCC)=S	2.85
76-76-6	O=C1NC(=O)C(C(=O)N1)(CC)C(C)C	0.97
76-83-5	c1ccc(cc1)C(c2ccccc2)(c3ccccc3)Cl	5.25
76-84-6	OC(c1ccccc1)(c2ccccc2)c3ccccc3	3.68
76-87-9	O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3	3.53
76-93-7	O=C(O)C(O)(c1ccccc1)c2ccccc2	2.3
76-94-8	O=C2NC(=O)C(c1ccccc1)(C(=O)N2)C	0.91
76-99-3	O=C(CC)C(c1ccccc1)(c2ccccc2)CC(N(C)C)C	3.93
77-02-1	O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)C	1.15
77-06-5	O=C(O)C4C2C1(OC(=O)C2(C)(C(O)C=C1))C5CCC3(O)(C(=C)CC45(C3))	0.24
77-07-6	Oc1ccc2c(c1)C34(CCN(C)C(C2)C4(CCCC3))	3.11
77-20-3	O=C(OC2(c1ccccc1)(CCN(C)CC2(C)))CC	2.83
77-21-4	O=C2NC(=O)C(c1ccccc1)(CC)CC2	1.9
77-27-0	O=C1NC(NC(=O)C1(CC=C)C(C)CCC)=S	3.23
77-28-1	O=C1NC(=O)C(C(=O)N1)(CC)CCCC	1.73
77-30-5	O=C1NC(=O)C(C(=O)N1)(CC)CCCCCC	2.46
77-32-7	O=C1NC(NC(=O)C1(CC)CC)=S	1.5
77-36-1	O=C2NC(O)(c1ccc(c(c1)S(=O)(=O)N)Cl)c3ccccc23	0.85
77-47-4	C=1(C(=C(C(C=1Cl)(Cl)Cl)Cl)Cl)Cl	5.04
77-65-6	O=C(N)NC(=O)C(CC)(CC)Br	1.54
77-67-8	O=C1NC(=O)C(C)(C1)CC	0.38
77-71-4	O=C1NC(=O)C(N1)(C)C	-0.48
77-81-6	N#CP(=O)(OCC)N(C)C	0.38
77-92-9	O=C(O)CC(O)(C(=O)O)CC(=O)O	-1.64
77-99-6	OCC(CO)(CO)CC	-1.48
78-00-2	CC[Pb](CC)(CC)CC	4.15
78-27-3	C#CC1(O)(CCCCC1)	1.73
78-38-6	O=P(OCC)(OCC)CC	0.66
78-40-0	O=P(OCC)(OCC)OCC	0.8
78-48-8	O=P(SCCCC)(SCCCC)SCCCC	5.7
78-51-3	O=P(OCCOCCCC)(OCCOCCCC)OCCOCCCC	3.75
78-59-1	O=C1C=C(C)CC(C)(C)C1	1.7
78-62-6	O(CC)[Si](OCC)(C)C	0.61
78-67-1	N#CC(N=NC(C#N)(C)C)(C)C	1.1
78-70-6	OC(C=C)(C)CCC=C(C)C	2.97
78-79-5	C=CC(=C)C	2.42
78-81-9	NCC(C)C	0.73
78-82-0	N#CC(C)C	0.46
78-87-5	CC(CCl)Cl	1.98
78-93-3	O=C(C)CC	0.29
78-96-6	OC(C)CN	-0.96
79-00-5	C(C(Cl)Cl)Cl	1.89
79-01-6	C(=C(Cl)Cl)Cl	2.42
79-05-0	O=C(N)CC	-0.66
79-06-1	O=C(N)C=C	-0.67
79-07-2	O=C(N)CCl	-0.53
79-08-3	O=C(O)CBr	0.41
79-09-4	O=C(O)CC	0.33
79-10-7	O=C(O)C=C	0.35
79-11-8	O=C(O)CCl	0.22
79-14-1	O=C(O)CO	-1.11
79-20-9	O=C(OC)C	0.18
79-24-3	O=[N+]([O-])CC	0.18
79-31-2	O=C(O)C(C)C	0.94
79-34-5	C(C(Cl)Cl)(Cl)Cl	2.39
79-41-4	O=C(O)C(=C)C	0.93
79-43-6	O=C(O)C(Cl)Cl	0.92
79-46-9	O=[N+]([O-])C(C)C	0.93
79-60-7	O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(=O)C1(F)C2(C)CC3)	1.37
80-05-7	Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C	3.32
80-08-0	O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2	0.97
80-11-5	O=NN(C)S(=O)(=O)c1ccc(cc1)C	0.58
80-17-1	O=S(=O)(NN)c1ccccc1	-0.14
80-26-2	O=C(OC(C)(C)C1CC=C(C)CC1)C	3.96
80-35-3	O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2	0.32
80-40-0	O=S(=O)(OCC)c1ccc(cc1)C	1.81
80-56-8	C1=C(C)C2CC(C1)C2(C)(C)	4.58
80-58-0	O=C(O)C(CC)Br	1.42
80-60-4	O=C(O)C(N)CC	-2.54
80-62-6	O=C(OC)C(=C)C	1.38
80-70-6	N=C(N(C)C)N(C)C	0.41
81-06-1	O=S(=O)(O)c2ccc1ccccc1c2(N)	-0.97
81-07-2	O=C1NS(=O)(=O)c2ccccc12	0.91
81-16-3	O=S(=O)(O)c2c(N)ccc1ccccc12	-1.16
81-20-9	O=[N+]([O-])c1c(cccc1C)C	2.95
81-25-4	O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))	2.02
81-92-5	Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccccc3CO	3.27
82-05-3	O=C2c1ccccc1c4cccc3cccc2c34	4.81
82-07-5	O=C(O)C2c3ccccc3(Oc1ccccc12)	2.23
82-38-2	O=C1c3ccccc3(C(=O)c2c(cccc12)NC)	4.1
82-45-1	O=C1c3ccccc3(C(=O)c2c(N)cccc12)	3.74
82-68-8	O=[N+]([O-])c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	4.64
82-86-0	O=C1C(=O)c3cccc2cccc1c23	1.95
83-12-5	O=C2c3ccccc3(C(=O)C2(c1ccccc1))	2.9
83-25-0	O=C2N(c1ccccc1)C(=O)CC2	0.06
83-32-9	c2cc1cccc3c1c(c2)CC3	3.92
83-34-1	c1ccc2c(c1)[nH]cc2C	2.6
83-40-9	O=C(O)c1cccc(c1(O))C	2.86
83-41-0	O=[N+]([O-])c1cccc(c1C)C	2.83
83-42-1	O=[N+]([O-])c1cccc(c1C)Cl	3.09
83-44-3	O=C(O)CCC(C)C2CCC3C4CCC1CC(O)CCC1(C)C4(CC(O)C23(C))	3.5
83-54-5	O=C1C=CN(c2ccccc12)C	0.44
83-56-7	Oc1cccc2c(O)cccc12	1.94
83-79-4	O=C3c5ccc1OC(C(=C)C)Cc1c5(OC4COc2cc(OC)c(OC)cc2C34)	4.1
83-88-5	O=C3N=C2C(=Nc1cc(c(cc1N2CC(O)C(O)C(O)CO)C)C)C(=O)N3	-1.46
83-98-7	O(CCN(C)C)C(c1ccccc1)c2ccccc2C	3.77
84-01-5	c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN(CC)CC	6.46
84-04-8	O=C(N)C4CCN(CCCN3c1ccccc1Sc2ccc(cc23)Cl)CC4	4.44
84-11-7	O=C2C(=O)c1ccccc1c3ccccc23	2.52
84-51-5	O=C1c3ccccc3(C(=O)c2cc(ccc12)CC)	4.37
84-65-1	O=C1c3ccccc3(C(=O)c2ccccc12)	3.39
84-69-5	O=C(OCC(C)C)c1ccccc1(C(=O)OCC(C)C)	4.11
84-74-2	O=C(OCCCC)c1ccccc1(C(=O)OCCCC)	4.5
84-75-3	O=C(OCCCCCC)c1ccccc1(C(=O)OCCCCCC)	6.82
84-87-7	O=S(=O)(O)c2ccc(O)c1ccccc12	-0.44
84-96-8	c1ccc3c(c1)N(c2ccccc2S3)CC(C)CN(C)C	4.71
84-97-9	c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(C)CC4	4
85-01-8	c1ccc3c(c1)ccc2ccccc23	4.46
85-02-9	n1cccc3c1ccc2ccccc23	3.43
85-34-7	O=C(O)Cc1c(ccc(c1Cl)Cl)Cl	3.2
85-41-6	O=C1NC(=O)c2ccccc12	1.15
85-44-9	O=C1OC(=O)c2ccccc12	1.6
85-45-0	O=[N+]([O-])c1cccc(N)c1(OC)	1.78
85-68-7	O=C(OCc1ccccc1)c2ccccc2(C(=O)OCCCC)	4.73
85-79-0	O=C(NCCN(CC)CC)c2cc(nc1ccccc12)OCCCC	4.4
85-81-4	O=[N+]([O-])c2cc(OC)cc1cccnc12	1.87
86-28-2	c1ccc3c(c1)c2ccccc2n3CC	4.49
86-30-6	O=NN(c1ccccc1)c2ccccc2	3.13
86-35-1	O=C2NC(c1ccccc1)C(=O)N2CC	1.05
86-50-0	O=C1c2ccccc2(N=NN1CSP(OC)(OC)=S)	2.75
86-54-4	n1nc(NN)c2ccccc2(c1)	1
86-55-5	O=C(O)c2cccc1ccccc12	3.1
86-56-6	c1ccc2c(c1)cccc2N(C)C	3.46
86-57-7	O=[N+]([O-])c2cccc1ccccc12	3.19
86-73-7	c1ccc3c(c1)c2ccccc2C3	4.18
86-74-8	c1ccc3c(c1)[nH]c2ccccc23	3.72
86-81-7	O=Cc1cc(OC)c(OC)c(OC)c1	1.39
86-87-3	O=C(O)Cc2cccc1ccccc12	2.24
86-88-4	NC(Nc2cccc1ccccc12)=S	1.65
86-96-4	O=C1NC(=O)c2ccccc2(N1)	0.77
86-98-6	n1ccc(c2ccc(cc12)Cl)Cl	3.57
87-08-1	O=C(O)C3N2C(=O)C(NC(=O)COc1ccccc1)C2SC3(C)(C)	2.09
87-17-2	O=C(Nc1ccccc1)c2ccccc2(O)	3.27
87-33-2	O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12	1.31
87-40-1	O(c1c(cc(cc1Cl)Cl)Cl)C	4.11
87-41-2	O=C1OCc2ccccc12	0.8
87-51-4	O=C(O)Cc2c[nH]c1ccccc12	1.41
87-62-7	Nc1c(cccc1C)C	1.84
87-64-9	Oc1c(cccc1Cl)C	2.8
87-65-0	Oc1c(cccc1Cl)Cl	2.75
87-68-3	C(C(=C(Cl)Cl)Cl)(=C(Cl)Cl)Cl	4.78
87-82-1	c1(c(c(c(c(c1Br)Br)Br)Br)Br)Br	6.07
87-84-3	C1(C(C(C(C(C1Br)Br)Br)Br)Br)Cl	4.72
87-85-4	c1(c(c(c(c(c1C)C)C)C)C)C	5.11
87-86-5	Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	5.12
87-91-2	O=C(OCC)C(O)C(O)C(=O)OCC	-0.29
88-04-0	Oc1cc(c(c(c1)C)Cl)C	3.27
88-06-2	Oc1c(cc(cc1Cl)Cl)Cl	3.69
88-09-5	O=C(O)C(CC)CC	1.68
88-12-0	O=C1N(C=C)CCC1	0.37
88-13-1	O=C(O)c1ccsc1	1.5
88-14-2	O=C(O)c1occc1	0.64
88-15-3	O=C(c1cccs1)C	1.25
88-16-4	FC(F)(F)c1ccccc1Cl	3.53
88-17-5	FC(F)(F)c1ccccc1(N)	2.41
88-18-6	Oc1ccccc1C(C)(C)C	3.31
88-19-7	O=S(=O)(N)c1ccccc1C	0.84
88-65-3	O=C(O)c1ccccc1Br	2.2
88-67-5	O=C(O)c1ccccc1I	2.4
88-68-6	O=C(N)c1ccccc1(N)	0.35
88-69-7	Oc1ccccc1C(C)C	2.88
88-75-5	O=[N+]([O-])c1ccccc1(O)	1.79
88-85-7	O=[N+]([O-])c1cc(c(O)c(c1)C(C)CC)[N+](=O)[O-]	3.56
88-89-1	O=[N+]([O-])c1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-]	1.33
88-96-0	O=C(N)c1ccccc1(C(=O)N)	-1.73
88-99-3	O=C(O)c1ccccc1(C(=O)O)	0.73
89-24-7	O=C1NC(=O)C(N1)c2ccccc2	0.46
89-52-1	O=C(O)c1ccccc1(NC(=O)C)	1.88
89-55-4	O=C(O)c1cc(ccc1(O))Br	3.23
89-56-5	O=C(O)c1cc(ccc1(O))C	2.78
89-59-8	O=[N+]([O-])c1cc(ccc1C)Cl	3.05
89-61-2	O=[N+]([O-])c1cc(ccc1Cl)Cl	3.09
89-63-4	O=[N+]([O-])c1cc(ccc1(N))Cl	2.72
89-64-5	O=[N+]([O-])c1cc(ccc1(O))Cl	2.46
89-68-9	Oc1cc(c(cc1C(C)C)Cl)C	3.92
89-71-4	O=C(OC)c1ccccc1C	2.75
89-72-5	Oc1ccccc1C(C)CC	3.27
89-78-1	OC1CC(C)CCC1(C(C)C)	3.33
89-81-6	O=C1C=C(C)CCC1C(C)C	2.85
89-82-7	O=C1C(=C(C)C)CCC(C)C1	3.08
90-00-6	Oc1ccccc1CC	2.47
90-01-7	Oc1ccccc1CO	0.73
90-02-8	O=Cc1ccccc1(O)	1.81
90-03-9	Oc1ccccc1[Hg]Cl	1.51
90-04-0	O(c1ccccc1(N))C	1.18
90-05-1	Oc1ccccc1(OC)	1.32
90-12-0	c1ccc2c(c1)cccc2C	3.87
90-13-1	c1ccc2c(c1)cccc2Cl	3.9
90-15-3	Oc1cccc2ccccc12	2.85
90-30-2	c1ccc(cc1)Nc3cccc2ccccc23	4.2
90-33-5	O=C2Oc1cc(O)ccc1C(=C2)C	1.9
90-41-5	Nc1ccccc1c2ccccc2	2.84
90-43-7	Oc1ccccc1c2ccccc2	3.09
90-44-8	O=C2c1ccccc1Cc3ccccc23	3.66
90-47-1	O=C1c3ccccc3(Oc2ccccc12)	3.39
90-64-2	O=C(O)C(O)c1ccccc1	0.62
90-82-4	OC(c1ccccc1)C(NC)C	1.01
90-94-8	O=C(c1ccc(cc1)N(C)C)c2ccc(cc2)N(C)C	3.87
91-01-0	OC(c1ccccc1)c2ccccc2	2.67
91-02-1	O=C(c1ncccc1)c2ccccc2	1.88
91-10-1	Oc1c(OC)cccc1(OC)	1.15
91-15-6	N#Cc1ccccc1(C#N)	0.99
91-16-7	O(c1ccccc1(OC))C	1.6
91-18-9	n1cnc2nccnc2(c1)	-0.58
91-19-0	n1ccnc2ccccc12	1.32
91-20-3	c1ccc2ccccc2(c1)	3.3
91-22-5	n1cccc2ccccc12	2.03
91-23-6	O=[N+]([O-])c1ccccc1(OC)	1.73
91-40-7	O=C(O)c2ccccc2(Nc1ccccc1)	4.36
91-46-3	O(c1cc(ccc1C(C)C)C)CCN(C)C	3.79
91-55-4	c1ccc2c(c1)[nH]c(c2C)C	3.05
91-56-5	O=C1Nc2ccccc2(C1(=O))	0.83
91-57-6	c1ccc2cc(ccc2(c1))C	3.86
91-58-7	c1ccc2cc(ccc2(c1))Cl	3.98
91-59-8	Nc1ccc2ccccc2(c1)	2.28
91-62-3	n1cccc2cc(ccc12)C	2.57
91-63-4	n1c2ccccc2(ccc1C)	2.59
91-66-7	c1ccc(cc1)N(CC)CC	3.31
91-76-9	n1c(nc(nc1N)c2ccccc2)N	1.36
91-80-5	n1ccccc1N(Cc2cccs2)CCN(C)C	2.87
91-84-9	n1ccccc1N(Cc2ccc(OC)cc2)CCN(C)C	3.27
91-94-1	Nc1ccc(cc1Cl)c2ccc(N)c(c2)Cl	3.51
91-96-3	O=C(Nc1ccc(cc1C)c2ccc(NC(=O)CC(=O)C)c(c2)C)CC(=O)C	1.75
92-24-0	c1ccc2cc3cc4ccccc4(cc3(cc2(c1)))	5.76
92-43-3	O=C2NN(c1ccccc1)CC2	0.89
92-44-4	Oc1cc2ccccc2(cc1(O))	2.24
92-50-2	OCCN(c1ccccc1)CC	2.1
92-52-4	c1ccc(cc1)c2ccccc2	3.98
92-53-5	O2CCN(c1ccccc1)CC2	1.36
92-54-6	c1ccc(cc1)N2CCNCC2	1.1
92-55-7	O=C(OC(OC(=O)C)c1oc(cc1)[N+](=O)[O-])C	1.06
92-62-6	n1c3cc(N)ccc3(cc2ccc(N)cc12)	1.83
92-66-0	c1ccc(cc1)c2ccc(cc2)Br	4.96
92-67-1	Nc1ccc(cc1)c2ccccc2	2.86
92-69-3	Oc1ccc(cc1)c2ccccc2	3.2
92-70-6	O=C(O)c1cc2ccccc2(cc1(O))	3.05
92-71-7	n1cc(oc1c2ccccc2)c3ccccc3	4.67
92-82-0	n1c3ccccc3(nc2ccccc12)	2.84
92-83-1	O2c1ccccc1Cc3ccccc23	4.23
92-84-2	c1ccc3c(c1)Nc2ccccc2S3	4.15
92-85-3	c1ccc3c(c1)Sc2ccccc2S3	4.47
92-86-4	c1cc(ccc1c2ccc(cc2)Br)Br	5.72
92-87-5	Nc1ccc(cc1)c2ccc(N)cc2	1.34
92-92-2	O=C(O)c1ccc(cc1)c2ccccc2	3.75
92-93-3	O=[N+]([O-])c1ccc(cc1)c2ccccc2	3.82
92-94-4	c1ccc(cc1)c2ccc(cc2)c3ccccc3	6.03
93-02-7	O=Cc1cc(OC)ccc1(OC)	1.91
93-04-9	O(c1ccc2ccccc2(c1))C	3.47
93-07-2	O=C(O)c1ccc(OC)c(OC)c1	1.61
93-09-4	O=C(O)c1ccc2ccccc2(c1)	3.28
93-14-1	OCC(O)COc1ccccc1(OC)	1.39
93-55-0	O=C(c1ccccc1)CC	2.19
93-58-3	O=C(OC)c1ccccc1	2.12
93-60-7	O=C(OC)c1cnccc1	0.83
93-61-8	O=CN(c1ccccc1)C	1.09
93-65-2	O=C(O)C(Oc1ccc(cc1C)Cl)C	3.13
93-72-1	O=C(O)C(Oc1cc(c(cc1Cl)Cl)Cl)C	3.8
93-76-5	O=C(O)COc1cc(c(cc1Cl)Cl)Cl	3.31
93-79-8	O=C(OCCCC)COc1cc(c(cc1Cl)Cl)Cl	4.81
93-97-0	O=C(OC(=O)c1ccccc1)c2ccccc2	2.26
93-98-1	O=C(Nc1ccccc1)c2ccccc2	2.62
93-99-2	O=C(Oc1ccccc1)c2ccccc2	3.59
94-02-0	O=C(OCC)CC(=O)c1ccccc1	1.87
94-07-5	Oc1ccc(cc1)C(O)CNC	-0.45
94-09-7	O=C(OCC)c1ccc(N)cc1	1.86
94-12-2	O=C(OCCC)c1ccc(N)cc1	2.43
94-13-3	O=C(OCCC)c1ccc(O)cc1	3.04
94-18-8	O=C(OCc1ccccc1)c2ccc(O)cc2	3.56
94-19-9	O=S(=O)(Nc1nnc(CC)s1)c2ccc(N)cc2	1.01
94-20-2	O=C(NCCC)NS(=O)(=O)c1ccc(cc1)Cl	2.27
94-24-6	O=C(OCCN(C)C)c1ccc(cc1)NCCCC	3.51
94-25-7	O=C(OCCCC)c1ccc(N)cc1	2.87
94-26-8	O=C(OCCCC)c1ccc(O)cc1	3.57
94-33-7	O=C(OCCO)c1ccccc1	1.12
94-36-0	O=C(OOC(=O)c1ccccc1)c2ccccc2	3.46
94-41-7	O=C(C=Cc1ccccc1)c2ccccc2	3.08
94-44-0	O=C(OCc1ccccc1)c2cnccc2	2.4
94-46-2	O=C(OCCC(C)C)c1ccccc1	4.15
94-47-3	O=C(OCCc1ccccc1)c2ccccc2	4.01
94-71-3	Oc1ccccc1(OCC)	1.68
94-74-6	O=C(O)COc1ccc(cc1C)Cl	3.25
94-75-7	O=C(O)COc1ccc(cc1Cl)Cl	2.81
94-82-6	O=C(O)CCCOc1ccc(cc1Cl)Cl	3.53
94-99-5	c1cc(c(cc1Cl)Cl)CCl	3.82
95-13-6	c1ccc2c(c1)C=CC2	2.92
95-14-7	n1nc2ccccc2([nH]1)	1.44
95-15-8	c1ccc2c(c1)ccs2	3.12
95-16-9	n1csc2ccccc12	2.01
95-20-5	c1ccc2[nH]c(cc2(c1))C	2.53
95-47-6	c1ccc(c(c1)C)C	3.12
95-48-7	Oc1ccccc1C	1.95
95-49-8	c1ccc(c(c1)C)Cl	3.42
95-50-1	c1ccc(c(c1)Cl)Cl	3.43
95-51-2	Nc1ccccc1Cl	1.9
95-53-4	Nc1ccccc1C	1.32
95-54-5	Nc1ccccc1(N)	0.15
95-55-6	Oc1ccccc1(N)	0.62
95-56-7	Oc1ccccc1Br	2.35
95-57-8	Oc1ccccc1Cl	2.15
95-62-5	NC2CC2(c1ccccc1)	1.54
95-63-6	c1cc(c(cc1C)C)C	3.63
95-64-7	Nc1ccc(c(c1)C)C	1.84
95-65-8	Oc1ccc(c(c1)C)C	2.23
95-71-6	Oc1ccc(O)c(c1)C	0.91
95-72-7	c1cc(c(cc1C)Cl)C	3.86
95-76-1	Nc1ccc(c(c1)Cl)Cl	2.69
95-77-2	Oc1ccc(c(c1)Cl)Cl	3.33
95-80-7	Nc1ccc(c(N)c1)C	0.14
95-83-0	Nc1ccc(cc1(N))Cl	1.28
95-84-1	Oc1ccc(cc1(N))C	1.16
95-85-2	Oc1ccc(cc1(N))Cl	1.81
95-87-4	Oc1cc(ccc1C)C	2.33
95-88-5	Oc1ccc(c(O)c1)Cl	1.8
95-89-6	n1cc(nc(c1C)Cl)C	1.5
95-92-1	O=C(OCC)C(=O)OCC	0.56
95-93-2	c1c(c(cc(c1C)C)C)C	4
95-95-4	Oc1cc(c(cc1Cl)Cl)Cl	3.72
96-09-3	O1CC1c2ccccc2	1.61
96-12-8	C(C(CBr)Br)Cl	2.96
96-14-0	CCC(C)CC	3.6
96-18-4	C(C(CCl)Cl)Cl	2.27
96-22-0	O=C(CC)CC	0.99
96-29-7	ON=C(C)CC	0.63
96-31-1	O=C(NC)NC	-0.49
96-33-3	O=C(OC)C=C	0.8
96-43-5	c1cc(Cl)sc1	2.54
96-45-7	N1C(NCC1)=S	-0.66
96-48-0	O=C1OCCC1	-0.64
96-50-4	n1ccsc1N	0.38
96-54-8	c1ccn(c1)C	1.21
96-64-0	O=P(F)(OC(C)C(C)(C)C)C	1.78
96-76-4	Oc1ccc(cc1C(C)(C)C)C(C)(C)C	5.19
96-88-8	O=C(Nc1c(cccc1C)C)C2N(C)CCCC2	1.95
96-91-3	O=[N+]([O-])c1cc(N)c(O)c(c1)[N+](=O)[O-]	0.93
96-96-8	O=[N+]([O-])c1cc(OC)ccc1(N)	1.94
96-97-9	O=C(O)c1cc(ccc1(O))[N+](=O)[O-]	2.34
97-00-7	O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])Cl	2.17
97-09-6	O=[N+]([O-])c1cc(ccc1Cl)S(=O)(=O)N	0.66
97-17-6	O(c1ccc(cc1Cl)Cl)P(OCC)(OCC)=S	5.14
97-23-4	Oc1ccc(cc1Cc2cc(ccc2(O))Cl)Cl	4.26
97-31-4	Oc1ccc(cc1(OC))C(O)CN	-1.05
97-53-0	Oc1ccc(cc1(OC))CC=C	2.27
97-54-1	Oc1ccc(C=CC)cc1(OC)	3.04
97-61-0	O=C(O)C(C)CCC	1.8
97-63-2	O=C(OCC)C(=C)C	1.94
97-77-8	C(N(CC)CC)(=S)SSC(N(CC)CC)=S	3.88
97-86-9	O=C(OCC(C)C)C(=C)C	2.66
97-88-1	O=C(OCCCC)C(=C)C	2.88
98-00-0	OCc1occc1	0.28
98-01-1	O=Cc1occc1	0.41
98-05-5	O=[As](O)(O)c1ccccc1	0.06
98-06-6	c1ccc(cc1)C(C)(C)C	4.11
98-10-2	O=S(=O)(N)c1ccccc1	0.31
98-16-8	FC(F)(F)c1cccc(N)c1	2.29
98-17-9	FC(F)(F)c1cccc(O)c1	2.95
98-18-0	O=S(=O)(N)c1cccc(N)c1	-0.38
98-46-4	O=[N+]([O-])c1cccc(c1)C(F)(F)F	2.62
98-51-1	c1cc(ccc1C)C(C)(C)C	5.17
98-54-4	Oc1ccc(cc1)C(C)(C)C	3.31
98-55-5	OC(C)(C)C1CC=C(C)CC1	3.13
98-57-7	O=S(=O)(c1ccc(cc1)Cl)C	1.06
98-64-6	O=S(=O)(N)c1ccc(cc1)Cl	1.15
98-73-7	O=C(O)c1ccc(cc1)C(C)(C)C	3.85
98-80-6	OB(O)c1ccccc1	1.58
98-82-8	c1ccc(cc1)C(C)C	3.66
98-83-9	C=C(c1ccccc1)C	3.48
98-86-2	O=C(c1ccccc1)C	1.58
98-89-5	O=C(O)C1CCCCC1	1.96
98-92-0	O=C(N)c1cnccc1	-0.37
98-95-3	O=[N+]([O-])c1ccccc1	1.85
98-96-4	O=C(N)c1nccnc1	-0.6
98-98-6	O=C(O)c1ncccc1	0.72
99-02-5	O=C(c1cccc(c1)Cl)C	2.51
99-03-6	O=C(c1cccc(N)c1)C	0.83
99-04-7	O=C(O)c1cccc(c1)C	2.37
99-05-8	O=C(O)c1cccc(N)c1	0.65
99-06-9	O=C(O)c1cccc(O)c1	1.5
99-07-0	Oc1cccc(c1)N(C)C	1.56
99-10-5	O=C(O)c1cc(O)cc(O)c1	0.86
99-24-1	O=C(OC)c1cc(O)c(O)c(O)c1	0.86
99-28-5	O=[N+]([O-])c1cc(c(O)c(c1)Br)Br	3.57
99-30-9	O=[N+]([O-])c1cc(c(N)c(c1)Cl)Cl	2.8
99-34-3	O=C(O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	1.55
99-35-4	O=[N+]([O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	1.18
99-36-5	O=C(OC)c1cccc(c1)C	2.77
99-48-9	OC1C(=CCC(C(=C)C)C1)C	3.12
99-50-3	O=C(O)c1ccc(O)c(O)c1	0.86
99-51-4	O=[N+]([O-])c1ccc(c(c1)C)C	2.91
99-55-8	O=[N+]([O-])c1ccc(c(N)c1)C	1.87
99-56-9	O=[N+]([O-])c1ccc(N)c(N)c1	0.88
99-57-0	O=[N+]([O-])c1ccc(O)c(N)c1	1.26
99-59-2	O=[N+]([O-])c1ccc(OC)c(N)c1	1.47
99-60-5	O=C(O)c1ccc(cc1Cl)[N+](=O)[O-]	2.03
99-61-6	O=Cc1cccc(c1)[N+](=O)[O-]	1.47
99-65-0	O=[N+]([O-])c1cccc(c1)[N+](=O)[O-]	1.49
99-66-1	O=C(O)C(CCC)CCC	2.75
99-71-8	Oc1ccc(cc1)C(C)CC	3.08
99-75-2	O=C(OC)c1ccc(cc1)C	2.7
99-76-3	O=C(OC)c1ccc(O)cc1	1.96
99-77-4	O=C(OCC)c1ccc(cc1)[N+](=O)[O-]	2.33
99-82-1	CC1CCC(CC1)C(C)C	5.56
99-85-4	C1=C(C)CC=C(C1)C(C)C	4.5
99-86-5	C=1C=C(CCC=1C)C(C)C	4.25
99-87-6	c1cc(ccc1C)C(C)C	4.1
99-88-7	Nc1ccc(cc1)C(C)C	2.49
99-89-8	Oc1ccc(cc1)C(C)C	2.9
99-90-1	O=C(c1ccc(cc1)Br)C	2.43
99-91-2	O=C(c1ccc(cc1)Cl)C	2.32
99-93-4	O=C(c1ccc(O)cc1)C	1.35
99-94-5	O=C(O)c1ccc(cc1)C	2.27
99-96-7	O=C(O)c1ccc(O)cc1	1.58
99-97-8	c1cc(ccc1N(C)C)C	2.81
99-99-0	O=[N+]([O-])c1ccc(cc1)C	2.37
100-02-7	O=[N+]([O-])c1ccc(O)cc1	1.91
100-06-1	O=C(c1ccc(OC)cc1)C	1.74
100-09-4	O=C(O)c1ccc(OC)cc1	1.96
100-10-7	O=Cc1ccc(cc1)N(C)C	1.81
100-12-9	O=[N+]([O-])c1ccc(cc1)CC	3.03
100-15-2	O=[N+]([O-])c1ccc(cc1)NC	2.04
100-16-3	O=[N+]([O-])c1ccc(cc1)NN	1.41
100-17-4	O=[N+]([O-])c1ccc(OC)cc1	2.03
100-19-6	O=C(c1ccc(cc1)[N+](=O)[O-])C	1.53
100-21-0	O=C(O)c1ccc(cc1)C(=O)O	2
100-23-2	O=[N+]([O-])c1ccc(cc1)N(C)C	2.27
100-25-4	O=[N+]([O-])c1ccc(cc1)[N+](=O)[O-]	1.46
100-27-6	O=[N+]([O-])c1ccc(cc1)CCO	1.12
100-29-8	O=[N+]([O-])c1ccc(OCC)cc1	2.53
100-36-7	NCCN(CC)CC	0.21
100-39-0	c1ccc(cc1)CBr	2.92
100-40-3	C=CC1CC=CCC1	3.93
100-41-4	c1ccc(cc1)CC	3.15
100-42-5	C=Cc1ccccc1	2.95
100-44-7	c1ccc(cc1)CCl	2.3
100-46-9	NCc1ccccc1	1.09
100-47-0	N#Cc1ccccc1	1.56
100-51-6	OCc1ccccc1	1.1
100-52-7	O=Cc1ccccc1	1.48
100-54-9	N#Cc1cnccc1	0.36
100-55-0	OCc1cnccc1	-0.02
100-56-1	c1ccc(cc1)[Hg]Cl	1.78
100-61-8	c1ccc(cc1)NC	1.66
100-63-0	NNc1ccccc1	1.25
100-64-1	ON=C1CCCCC1	0.84
100-65-2	ONc1ccccc1	0.79
100-66-3	O(c1ccccc1)C	2.11
100-68-5	c1ccc(cc1)SC	2.74
100-69-6	n1ccccc1C=C	1.54
100-70-9	N#Cc1ncccc1	0.45
100-71-0	n1ccccc1CC	1.69
100-75-4	O=NN1CCCCC1	0.36
100-76-5	N12(CCC(CC1)CC2)	1.38
100-83-4	O=Cc1cccc(O)c1	1.29
100-84-5	O(c1cccc(c1)C)C	2.66
101-05-3	n1c(nc(nc1Cl)Cl)Nc2ccccc2Cl	3.88
101-14-4	Nc1ccc(cc1Cl)Cc2ccc(N)c(c2)Cl	3.91
101-21-3	O=C(OC(C)C)Nc1cccc(c1)Cl	3.51
101-41-7	O=C(OC)Cc1ccccc1	1.83
101-42-8	O=C(Nc1ccccc1)N(C)C	0.98
101-43-9	O=C(OC1CCCCC1)C(=C)C	3.13
101-53-1	Oc1ccc(cc1)Cc2ccccc2	3.47
101-77-9	Nc1ccc(cc1)Cc2ccc(N)cc2	1.59
101-80-4	O(c1ccc(N)cc1)c2ccc(N)cc2	1.36
101-81-5	c1ccc(cc1)Cc2ccccc2	4.14
101-84-8	O(c1ccccc1)c2ccccc2	4.21
101-97-3	O=C(OCC)Cc1ccccc1	2.28
101-99-5	O=C(OCC)Nc1ccccc1	2.3
102-03-4	O=C(Nc1ccccc1)NC(=O)C	1.6
102-07-8	O=C(Nc1ccccc1)Nc2ccccc2	3
102-09-0	O=C(Oc1ccccc1)Oc2ccccc2	3.28
102-29-4	O=C(Oc1cccc(O)c1)C	1.23
102-32-9	O=C(O)Cc1ccc(O)c(O)c1	0.98
102-37-4	O=C(OCC)C=Cc1ccc(O)c(O)c1	2.56
102-38-5	O=CNc1cccc(c1)[N+](=O)[O-]	1.4
102-56-7	O(c1ccc(OC)c(N)c1)C	1.2
102-70-5	C=CCN(CC=C)CC=C	2.59
102-71-6	OCCN(CCO)CCO	-1
102-76-1	O=C(OCC(OC(=O)C)COC(=O)C)C	0.25
102-93-2	O=C(N)CCc1ccccc1	0.91
102-96-5	O=[N+]([O-])C=Cc1ccccc1	2.11
102-97-6	c1ccc(cc1)CNC(C)C	1.83
103-01-5	O=C(O)CNc1ccccc1	0.62
103-03-7	O=C(N)NNc1ccccc1	0.13
103-04-8	O=C(O)CSc1ccccc1	1.88
103-26-4	O=C(OC)C=Cc1ccccc1	2.62
103-29-7	c1ccc(cc1)CCc2ccccc2	4.79
103-30-0	c1ccc(cc1)C=Cc2ccccc2	4.81
103-32-2	c1ccc(cc1)NCc2ccccc2	3.13
103-33-3	N(=Nc1ccccc1)c2ccccc2	3.82
103-36-6	O=C(OCC)C=Cc1ccccc1	2.99
103-38-8	O=C(OCc1ccccc1)CC(C)C	3.26
103-45-7	O=C(OCCc1ccccc1)C	2.3
103-46-8	O=C(O)CSCc1ccccc1	2.1
103-49-1	c1ccc(cc1)CNCc2ccccc2	2.67
103-50-4	O(Cc1ccccc1)Cc2ccccc2	3.31
103-63-9	c1ccc(cc1)CCBr	3.09
103-65-1	c1ccc(cc1)CCC	3.69
103-67-3	c1ccc(cc1)CNC	1.52
103-69-5	c1ccc(cc1)NCC	2.16
103-70-8	O=CNc1ccccc1	1.15
103-72-0	C(=Nc1ccccc1)=S	3.28
103-73-1	O(c1ccccc1)CC	2.51
103-74-2	OCCc1ncccc1	0.12
103-81-1	O=C(N)Cc1ccccc1	0.45
103-83-3	c1ccc(cc1)CN(C)C	1.98
103-88-8	O=C(Nc1ccc(cc1)Br)C	2.29
103-89-9	O=C(Nc1ccc(cc1)C)C	1.7
103-90-2	O=C(Nc1ccc(O)cc1)C	0.46
104-01-8	O=C(O)Cc1ccc(OC)cc1	1.42
104-03-0	O=C(O)Cc1ccc(cc1)[N+](=O)[O-]	1.39
104-04-1	O=C(Nc1ccc(cc1)[N+](=O)[O-])C	1.66
104-10-9	OCCc1ccc(N)cc1	0.1
104-13-2	Nc1ccc(cc1)CCCC	3.05
104-14-3	Oc1ccc(cc1)C(O)CN	-0.9
104-31-4	O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1ccc(cc1)NCCCC	2.45
104-40-5	Oc1ccc(cc1)CCCCCCCCC	5.76
104-43-8	Oc1ccc(cc1)CCCCCCCCCCCC	7.91
104-47-2	N#CCc1ccc(OC)cc1	1.7
104-51-8	c1ccc(cc1)CCCC	4.38
104-52-9	c1ccc(cc1)CCCCl	3.55
104-55-2	O=CC=Cc1ccccc1	1.9
104-63-2	OCCNCc1ccccc1	0.79
104-66-5	O(c1ccccc1)CCOc2ccccc2	3.81
104-72-3	c1ccc(cc1)CCCCCCCCCC	7.35
104-83-6	c1cc(ccc1CCl)Cl	3.18
104-84-7	NCc1ccc(cc1)C	1.46
104-91-6	O=Nc1ccc(O)cc1	1.29
104-92-7	O(c1ccc(cc1)Br)C	3.05
104-94-9	O(c1ccc(N)cc1)C	0.95
105-13-5	OCc1ccc(OC)cc1	1.1
105-34-0	N#CCC(=O)OC	-0.47
105-36-2	O=C(OCC)CBr	1.12
105-37-3	O=C(OCC)CC	1.21
105-39-5	O=C(OCC)CCl	0.94
105-40-8	O=C(OCC)NC	0.34
105-46-4	O=C(OC(C)CC)C	1.72
105-53-3	O=C(OCC)CC(=O)OCC	0.96
105-55-5	N(C(NCC)=S)CC	0.57
105-58-8	O=C(OCC)OCC	1.21
105-67-9	Oc1ccc(cc1C)C	2.3
105-87-3	O=C(OCC=C(C)CCC=C(C)C)C	4.01
106-18-3	O=C(OCCCC)CCCCCCCCCCC	6.51
106-22-9	OCCC(C)CCC=C(C)C	3.91
106-24-1	OCC=C(C)CCC=C(C)C	3.52
106-33-2	O=C(OCC)CCCCCCCCCCC	5.71
106-37-6	c1cc(ccc1Br)Br	3.79
106-38-7	c1cc(ccc1C)Br	3.42
106-39-8	c1cc(ccc1Cl)Br	3.54
106-40-1	Nc1ccc(cc1)Br	2.26
106-41-2	Oc1ccc(cc1)Br	2.59
106-42-3	c1cc(ccc1C)C	3.15
106-43-4	c1cc(ccc1C)Cl	3.33
106-44-5	Oc1ccc(cc1)C	1.94
106-46-7	c1cc(ccc1Cl)Cl	3.44
106-47-8	Nc1ccc(cc1)Cl	1.83
106-48-9	Oc1ccc(cc1)Cl	2.39
106-49-0	Nc1ccc(cc1)C	1.39
106-50-3	Nc1ccc(N)cc1	-0.3
106-51-4	O=C1C=CC(=O)C=C1	0.2
106-58-1	N1(C)CCN(C)CC1	-0.4
106-62-7	OCC(OCC(O)C)C	-0.67
106-63-8	O=C(OCC(C)C)C=C	2.22
106-86-5	O1C2CCC(C=C)CC12	2.08
106-87-6	O1CC1C2CCC3OC3(C2)	0.44
106-89-8	O1CC1CCl	0.45
106-93-4	C(CBr)Br	1.96
106-94-5	CCCBr	2.1
106-95-6	C=CCBr	1.79
106-97-8	CCCC	2.89
106-98-9	C=CCC	2.4
106-99-0	C=CC=C	1.99
107-02-8	O=CC=C	-0.01
107-03-9	CCCS	1.81
107-06-2	C(CCl)Cl	1.48
107-07-3	OCCCl	0.03
107-10-8	NCCC	0.48
107-11-9	C=CCN	0.03
107-12-0	N#CCC	0.16
107-13-1	N#CC=C	0.25
107-14-2	N#CCCl	0.45
107-15-3	NCCN	-2.04
107-18-6	OCC=C	0.17
107-19-7	C#CCO	-0.38
107-21-1	OCCO	-1.36
107-29-9	ON=CC	-0.13
107-31-3	O=COC	0.03
107-39-1	C=C(C)CC(C)(C)C	4.55
107-44-8	O=P(F)(OC(C)C)C	0.3
107-46-0	O([Si](C)(C)C)[Si](C)(C)C	4.2
107-51-7	O([Si](O[Si](C)(C)C)(C)C)[Si](C)(C)C	4.8
107-52-8	O([Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C	6.6
107-87-9	O=C(C)CCC	0.91
107-92-6	O=C(O)CCC	0.79
107-94-8	O=C(O)CCCl	0.41
107-95-9	O=C(O)CCN	-3.05
107-96-0	O=C(O)CCS	0.43
107-97-1	O=C(O)CNC	-2.78
108-03-2	O=[N+]([O-])CCC	0.87
108-05-4	O=C(OC=C)C	0.73
108-10-1	O=C(C)CC(C)C	1.31
108-18-9	N(C(C)C)C(C)C	1.4
108-20-3	O(C(C)C)C(C)C	1.52
108-27-0	O=C1NC(C)CC1	-0.1
108-36-1	c1cc(cc(c1)Br)Br	3.75
108-37-2	c1cc(cc(c1)Br)Cl	3.7
108-38-3	c1cc(cc(c1)C)C	3.2
108-39-4	Oc1cccc(c1)C	1.96
108-41-8	c1cc(cc(c1)Cl)C	3.28
108-42-9	Nc1cccc(c1)Cl	1.88
108-43-0	Oc1cccc(c1)Cl	2.5
108-44-1	Nc1cccc(c1)C	1.4
108-46-3	Oc1cccc(O)c1	0.8
108-48-5	n1c(cccc1C)C	1.68
108-50-9	n1cc(nc(c1)C)C	0.54
108-59-8	O=C(OC)CC(=O)OC	-0.05
108-60-1	O(C(C)CCl)C(C)CCl	2.48
108-65-6	O=C(OC(C)COC)C	0.56
108-68-9	Oc1cc(cc(c1)C)C	2.35
108-70-3	c1c(cc(cc1Cl)Cl)Cl	4.19
108-73-6	Oc1cc(O)cc(O)c1	0.16
108-75-8	n1c(cc(cc1C)C)C	1.88
108-78-1	n1c(nc(nc1N)N)N	-1.37
108-85-0	C1CCC(CC1)Br	3.2
108-86-1	c1ccc(cc1)Br	2.99
108-87-2	CC1CCCCC1	3.61
108-88-3	c1ccc(cc1)C	2.73
108-89-4	n1ccc(cc1)C	1.22
108-90-7	c1ccc(cc1)Cl	2.84
108-91-8	NC1CCCCC1	1.49
108-93-0	OC1CCCCC1	1.23
108-94-1	O=C1CCCCC1	0.81
108-95-2	Oc1ccccc1	1.46
108-98-5	c1ccc(cc1)S	2.52
108-99-6	n1cccc(c1)C	1.2
109-00-2	Oc1cnccc1	0.48
109-02-4	O1CCN(C)CC1	-0.33
109-04-6	n1ccccc1Br	1.42
109-06-8	n1ccccc1C	1.11
109-08-0	n1ccnc(c1)C	0.21
109-09-1	n1ccccc1Cl	1.22
109-46-6	N(C(NCCCC)=S)CCCC	2.75
109-49-9	O=C(C)CCC=C	1.02
109-52-4	O=C(O)CCCC	1.39
109-59-1	OCCOC(C)C	0.05
109-60-4	O=C(OCCC)C	1.24
109-64-8	C(CBr)CBr	2.37
109-65-9	CCCCBr	2.75
109-66-0	CCCCC	3.39
109-69-3	CCCCCl	2.64
109-70-6	C(CCl)CBr	2.18
109-73-9	NCCCC	0.97
109-75-1	N#CCC=C	0.4
109-76-2	NCCCN	-1.43
109-78-4	N#CCCO	-0.94
109-79-5	CCCCS	2.28
109-86-4	OCCOC	-0.77
109-87-5	O(C)COC	0
109-89-7	N(CC)CC	0.58
109-92-2	O(C=C)CC	1.04
109-94-4	O=COCC	0.23
109-97-7	c1cc[nH]c1	0.75
109-99-9	O1CCCC1	0.46
110-00-9	o1cccc1	1.34
110-02-1	c1ccsc1	1.81
110-12-3	O=C(C)CCC(C)C	1.88
110-13-4	O=C(C)CCC(=O)C	-0.27
110-15-6	O=C(O)CCC(=O)O	-0.59
110-16-7	O=C(O)C=CC(=O)O	-0.01
110-19-0	O=C(OCC(C)C)C	1.78
110-42-9	O=C(OC)CCCCCCCCC	4.41
110-43-0	O=C(C)CCCCC	1.98
110-44-1	O=C(O)C=CC=CC	1.33
110-53-2	CCCCCBr	3.37
110-54-3	CCCCCC	3.9
110-58-7	NCCCCC	1.49
110-59-8	N#CCCCC	1.12
110-60-1	NCCCCN	-0.7
110-61-2	N#CCCC#N	-0.99
110-64-5	OCC=CCO	-0.81
110-70-3	N(C)CCNC	-0.62
110-74-7	O=COCCC	0.83
110-80-5	OCCOCC	-0.32
110-82-7	C1CCCCC1	3.44
110-83-8	C1=CCCCC1	2.86
110-85-0	N1CCNCC1	-1.5
110-86-1	n1ccccc1	0.65
110-87-2	O1C=CCCC1	0.69
110-89-4	N1CCCCC1	0.84
110-91-8	O1CCNCC1	-0.86
110-94-1	O=C(O)CCCC(=O)O	-0.29
111-13-7	O=C(C)CCCCCC	2.37
111-14-8	O=C(O)CCCCCC	2.42
111-16-0	O=C(O)CCCCCC(=O)O	0.61
111-25-1	CCCCCCBr	3.8
111-26-2	NCCCCCC	2.06
111-42-2	OCCNCCO	-1.43
111-43-3	O(CCC)CCC	2.03
111-44-4	O(CCCl)CCCl	1.29
111-48-8	OCCSCCO	-0.63
111-65-9	CCCCCCCC	5.18
111-66-0	C=CCCCCCC	4.57
111-68-2	NCCCCCCC	2.57
111-69-3	N#CCCCCC#N	-0.32
111-70-6	OCCCCCCC	2.62
111-76-2	OCCOCCCC	0.83
111-78-4	C1=CCCC=CCC1	3.16
111-82-0	O=C(OC)CCCCCCCCCCC	5.41
111-83-1	CCCCCCCCBr	4.89
111-86-4	NCCCCCCCC	2.9
111-87-5	OCCCCCCCC	3
111-90-0	OCCOCCOCC	-0.54
111-92-2	N(CCCC)CCCC	2.83
111-94-4	N#CCCNCCC#N	-1.34
111-96-6	O(C)CCOCCOC	-0.36
112-05-0	O=C(O)CCCCCCCC	3.42
112-12-9	O=C(C)CCCCCCCCC	4.09
112-25-4	OCCOCCCCCC	1.86
112-30-1	OCCCCCCCCCC	4.57
112-34-5	OCCOCCOCCCC	0.56
112-36-7	O(CC)CCOCCOCC	0.39
112-37-8	O=C(O)CCCCCCCCCC	4.42
112-38-9	O=C(O)CCCCCCCCC=C	3.86
112-39-0	O=C(OC)CCCCCCCCCCCCCCC	7.38
112-40-3	CCCCCCCCCCCC	6.1
112-48-1	O(CCOCCCC)CCCC	2.48
112-53-8	OCCCCCCCCCCCC	5.13
112-56-1	N#CSCCOCCOCCCC	1.68
112-59-4	OCCOCCOCCCCCC	1.7
112-61-8	O=C(OC)CCCCCCCCCCCCCCCCC	8.35
112-62-9	O=C(OC)CCCCCCCC=CCCCCCCCC	7.45
112-63-0	O=C(OC)CCCCCCCC=CCC=CCCCCC	6.82
112-73-2	O(CCOCCCC)CCOCCCC	1.92
113-48-4	O=C2N(C(=O)C3C1C=CC(C1)C23)CC(CC)CCCC	3.7
113-53-1	c1ccc3c(c1)C(=CCCN(C)C)c2ccccc2SC3	4.49
113-59-7	c1ccc3c(c1)C(=CCCN(C)C)c2cc(ccc2S3)Cl	5.18
114-07-8	O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C	3.06
114-26-1	O=C(Oc1ccccc1(OC(C)C))NC	1.52
114-33-0	O=C(NC)c1cnccc1	0
114-38-5	O=C(N)Nc1ccccc1Cl	1.27
115-02-6	[N-]=[N+]=CC(=O)OCC(N)C(=O)O	-2
115-07-1	C=CC	1.77
115-09-3	C[Hg]Cl	0.41
115-10-6	O(C)C	0.1
115-11-7	C=C(C)C	2.34
115-20-8	OCC(Cl)(Cl)Cl	1.42
115-32-2	OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C(Cl)(Cl)Cl	5.02
115-38-8	O=C2NC(=O)C(c1ccccc1)(C(=O)N2C)CC	1.84
115-43-5	O=C1NC(=O)C(C(=O)N1)(c2ccccc2)CC=C	1.69
115-56-0	O=C1NC(NC(=O)C1(CC(=C)C)CC)=S	2.19
115-58-2	O=C1NC(=O)C(C(=O)N1)(CC)CCCCC	2.24
115-77-5	OCC(CO)(CO)CO	-1.69
115-86-6	O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3	4.59
115-90-2	O=S(c1ccc(OP(OCC)(OCC)=S)cc1)C	2.23
115-95-7	O=C(OC(C=C)(C)CCC=C(C)C)C	3.93
115-96-8	O=P(OCCCl)(OCCCl)OCCCl	1.44
116-06-3	O=C(ON=CC(C)(C)SC)NC	1.13
116-29-0	O=S(=O)(c1ccc(cc1)Cl)c2cc(c(cc2Cl)Cl)Cl	4.61
116-53-0	O=C(O)C(C)CC	1.18
117-34-0	O=C(O)C(c1ccccc1)c2ccccc2	3.09
117-37-3	O=C1c3ccccc3(C(=O)C1c2ccc(OC)cc2)	2.88
117-59-9	O=S(=O)(O)c2cccc1c(O)cccc12	-0.17
117-81-7	O=C(OCC(CC)CCCC)c1ccccc1(C(=O)OCC(CC)CCCC)	7.6
117-84-0	O=C(OCCCCCCCC)c1ccccc1(C(=O)OCCCCCCCC)	8.1
117-89-5	FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(C)CC4	5.03
117-99-7	O=C(c1ccccc1)c2ccccc2(O)	3.52
118-10-5	OC(c2ccnc1ccccc12)C3N4CCC(C3)C(C=C)C4	2.75
118-44-5	c1ccc2c(c1)cccc2(NCC)	3.45
118-61-6	O=C(OCC)c1ccccc1(O)	2.95
118-69-4	c1cc(c(c(c1)Cl)C)Cl	3.99
118-74-1	c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl	5.73
118-79-6	Oc1c(cc(cc1Br)Br)Br	4.13
118-83-2	O=[N+]([O-])c1ccc(cc1C(F)(F)F)Cl	3.2
118-90-1	O=C(O)c1ccccc1C	2.46
118-91-2	O=C(O)c1ccccc1Cl	2.05
118-92-3	O=C(O)c1ccccc1(N)	1.21
118-93-4	O=C(c1ccccc1(O))C	1.92
118-95-6	O=[N+]([O-])c1cc(c(O)c(c1)C(C)C)[N+](=O)[O-]	3.1
118-96-7	O=[N+]([O-])c1cc(c(c(c1)[N+](=O)[O-])C)[N+](=O)[O-]	1.6
118-97-8	O=C(O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]	2.5
119-26-6	O=[N+]([O-])c1ccc(NN)c(c1)[N+](=O)[O-]	1.47
119-30-2	O=C(O)c1cc(ccc1(O))I	3.34
119-33-5	O=[N+]([O-])c1cc(ccc1(O))C	2.37
119-34-6	O=[N+]([O-])c1cc(N)ccc1(O)	0.96
119-36-8	O=C(OC)c1ccccc1(O)	2.55
119-47-1	Oc1c(cc(cc1C(C)(C)C)C)Cc2cc(cc(c2(O))C(C)(C)C)C	6.25
119-56-2	OC(c1ccccc1)c2ccc(cc2)Cl	3.61
119-61-9	O=C(c1ccccc1)c2ccccc2	3.18
119-64-2	c1ccc2c(c1)CCCC2	3.49
119-65-3	n1ccc2ccccc2(c1)	2.08
119-75-5	O=[N+]([O-])c2ccccc2(Nc1ccccc1)	3.66
119-81-3	O=C(Nc1ccc(OC)cc1[N+](=O)[O-])C	1.09
119-90-4	O(c1cc(ccc1(N))c2ccc(N)c(OC)c2)C	1.81
119-91-5	n1c(ccc2ccccc12)c3nc4ccccc4(cc3)	4.31
119-93-7	Nc1ccc(cc1C)c2ccc(N)c(c2)C	2.34
120-03-6	n1c3ccccc3([nH]c1c2ccc(cc2)C)	3.67
120-12-7	c1ccc2cc3ccccc3(cc2(c1))	4.45
120-14-9	O=Cc1ccc(OC)c(OC)c1	1.22
120-18-3	O=S(=O)(O)c1ccc2ccccc2(c1)	0.63
120-20-7	O(c1ccc(cc1(OC))CCN)C	0.77
120-25-2	O=Cc1ccc(OCC)c(OC)c1	1.63
120-26-3	O(c1ccc(cc1(OC))CC(N)C)C	1.2
120-47-8	O=C(OCC)c1ccc(O)cc1	2.47
120-51-4	O=C(OCc1ccccc1)c2ccccc2	3.97
120-57-0	O=Cc1ccc2OCOc2(c1)	1.05
120-66-1	O=C(Nc1ccccc1C)C	0.85
120-71-8	O(c1ccc(cc1(N))C)C	1.74
120-72-9	c1ccc2[nH]ccc2(c1)	2.14
120-73-0	n1cnc2nc[nH]c2(c1)	-0.37
120-80-9	Oc1ccccc1(O)	0.88
120-83-2	Oc1ccc(cc1Cl)Cl	3.06
120-94-5	N1(C)CCCC1	0.92
121-14-2	O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])C	1.98
121-21-1	O=C(OC1C(=C(C(=O)C1)CC=CC=C)C)C2C(C=C(C)C)C2(C)(C)	5.9
121-29-9	O=C(OC)C(=CC2C(C(=O)OC1C(=C(C(=O)C1)CC=CC=C)C)C2(C)(C))C	4.3
121-30-2	O=S(=O)(N)c1cc(c(cc1(N))Cl)S(=O)(=O)N	-0.41
121-32-4	O=Cc1ccc(O)c(OCC)c1	1.58
121-33-5	O=Cc1ccc(O)c(OC)c1	1.21
121-34-6	O=C(O)c1ccc(O)c(OC)c1	1.43
121-44-8	N(CC)(CC)CC	1.45
121-46-0	C1=CC2C=CC1C2	2.67
121-50-6	FC(F)(F)c1ccc(c(N)c1)Cl	3.06
121-52-8	O=[N+]([O-])c1cccc(c1)S(=O)(=O)N	0.55
121-57-3	O=S(=O)(O)c1ccc(N)cc1	-2.16
121-66-4	O=[N+]([O-])c1cnc(N)s1	0.83
121-69-7	c1ccc(cc1)N(C)C	2.31
121-71-1	O=C(c1cccc(O)c1)C	1.39
121-72-2	c1cc(cc(c1)C)N(C)C	2.8
121-73-3	O=[N+]([O-])c1cccc(c1)Cl	2.46
121-75-5	O=C(OCC)CC(C(=O)OCC)SP(OC)(OC)=S	2.36
121-79-9	O=C(OCCC)c1cc(O)c(O)c(O)c1	1.8
121-81-3	O=C(N)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	0.83
121-82-4	O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1	0.87
121-92-6	O=C(O)c1cccc(c1)[N+](=O)[O-]	1.83
121-98-2	O=C(OC)c1ccc(OC)cc1	2.27
122-00-9	O=C(c1ccc(cc1)C)C	2.1
122-09-8	NC(C)(C)Cc1ccccc1	1.9
122-11-2	O=S(=O)(Nc1nc(nc(OC)c1)OC)c2ccc(N)cc2	1.63
122-14-5	O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1C	3.3
122-28-1	O=C(Nc1cccc(c1)[N+](=O)[O-])C	1.47
122-34-9	n1c(nc(nc1NCC)Cl)NCC	2.18
122-37-2	Oc1ccc(cc1)Nc2ccccc2	2.82
122-39-4	c1ccc(cc1)Nc2ccccc2	3.5
122-42-9	O=C(OC(C)C)Nc1ccccc1	2.6
122-46-3	O=C(Oc1cccc(c1)C)C	2.09
122-51-0	O(CC)C(OCC)OCC	1.2
122-57-6	O=C(C=Cc1ccccc1)C	2.18
122-59-8	O=C(O)COc1ccccc1	1.34
122-66-7	c1ccc(cc1)NNc2ccccc2	2.94
122-69-0	O=C(OCC=Cc1ccccc1)C=Cc2ccccc2	4.45
122-78-1	O=CCc1ccccc1	1.78
122-79-2	O=C(Oc1ccccc1)C	1.49
122-80-5	O=C(Nc1ccc(N)cc1)C	0.08
122-85-0	O=Cc1ccc(cc1)NC(=O)C	1.25
122-88-3	O=C(O)COc1ccc(cc1)Cl	2.25
122-94-1	Oc1ccc(OCCCC)cc1	2.9
122-98-5	OCCNc1ccccc1	0.82
122-99-6	OCCOc1ccccc1	1.16
123-01-3	c1ccc(cc1)CCCCCCCCCCCC	8.65
123-02-4	c1ccc(cc1)CCCCCCCCCCCCC	9.36
123-07-9	Oc1ccc(cc1)CC	2.58
123-08-0	O=Cc1ccc(O)cc1	1.35
123-11-5	O=Cc1ccc(OC)cc1	1.76
123-25-1	O=C(OCC)CCC(=O)OCC	1.2
123-30-8	Oc1ccc(N)cc1	0.04
123-31-9	Oc1ccc(O)cc1	0.59
123-32-0	n1cc(ncc1C)C	0.63
123-33-1	O=C1C=CC(=O)NN1	-0.84
123-35-3	C=CC(=C)CCC=C(C)C	4.17
123-38-6	O=CCC	0.59
123-51-3	OCCC(C)C	1.16
123-54-6	O=C(C)CC(=O)C	0.4
123-63-7	O1C(OC(OC1C)C)C	0.67
123-72-8	O=CCCC	0.88
123-75-1	N1CCCC1	0.46
123-76-2	O=C(O)CCC(=O)C	-0.49
123-82-0	NC(C)CCCCC	2.4
123-86-4	O=C(OCCCC)C	1.78
123-91-1	O1CCOCC1	-0.27
123-99-9	O=C(O)CCCCCCCC(=O)O	1.57
124-02-7	C=CCNCC=C	1.11
124-04-9	O=C(O)CCCCC(=O)O	0.08
124-07-2	O=C(O)CCCCCCC	3.05
124-10-7	O=C(OC)CCCCCCCCCCCCC	6.41
124-11-8	C=CCCCCCCC	5.15
124-12-9	N#CCCCCCCC	2.75
124-18-5	CCCCCCCCCC	5.01
124-38-9	O=C=O	0.83
124-40-3	N(C)C	-0.38
124-48-1	C(Cl)(Br)Br	2.16
124-76-5	OC1CC2CCC1(C)C2(C)(C)	2.98
124-94-7	O=C1C=CC3(C(=C1)CCC2C4CC(O)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)	1.16
125-33-7	O=C2NCNC(=O)C2(c1ccccc1)CC	0.91
125-40-6	O=C1NC(=O)C(C(=O)N1)(CC)C(C)CC	1.65
125-46-2	O=C2C=C3Oc1c(C(=O)C)c(O)c(c(O)c1C3(C(=O)C2C(=O)C)C)C	2.88
125-55-3	O=C1NC(=O)C(C(=O)N1C)(CC(=C)Br)C(C)C	2.11
125-64-4	O=C1NCC(C(=O)C1(CC)CC)C	0.78
126-33-0	O=S1(=O)(CCCC1)	-0.77
126-73-8	O=P(OCCCC)(OCCCC)OCCCC	4
126-98-7	N#CC(=C)C	0.68
127-06-0	ON=C(C)C	0.12
127-07-1	O=C(N)NO	-1.8
127-18-4	C(=C(Cl)Cl)(Cl)Cl	3.4
127-19-5	O=C(N(C)C)C	-0.77
127-31-1	O=C3C=C2CCC1C4CCC(O)(C(=O)CO)C4(C)(CC(O)C1(F)C2(C)CC3)	1.67
127-41-3	O=C(C=CC1C(=CCCC1(C)(C))C)C	3.85
127-63-9	O=S(=O)(c1ccccc1)c2ccccc2	2.4
127-69-5	O=S(=O)(Nc1onc(c1C)C)c2ccc(N)cc2	1.01
127-77-5	O=S(=O)(Nc1ccccc1)c2ccc(N)cc2	1.55
127-79-7	O=S(=O)(Nc1nccc(n1)C)c2ccc(N)cc2	0.14
127-91-3	C=C1CCC2CC1C2(C)(C)	4.16
128-13-2	O=C(O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))	3.58
128-37-0	Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C	5.1
128-39-2	Oc1c(cccc1C(C)(C)C)C(C)(C)C	4.92
128-95-0	O=C1c3ccccc3(C(=O)c2c(N)ccc(N)c12)	3
129-00-0	c1cc2ccc3cccc4ccc(c1)c2c34	4.88
129-03-3	c1ccc3c(c1)C=Cc2ccccc2C3=C4CCN(C)CC4	4.69
129-20-4	O=C3N(c1ccccc1)N(c2ccc(O)cc2)C(=O)C3CCCC	2.72
129-43-1	O=C1c3ccccc3(C(=O)c2c(O)cccc12)	3.52
129-79-3	O=C3c1cc(ccc1c2c3(cc(cc2[N+](=O)[O-])[N+](=O)[O-]))[N+](=O)[O-]	2.42
129-81-7	O=C2C(=C(N(N2(c1ccccc1))C)C)I	1.27
130-15-4	O=C1C=CC(=O)c2ccccc12	1.71
130-16-5	Oc1ccc(c2cccnc12)Cl	2.88
131-03-3	O=C(OC)C3C(O)CCC4CN2CCc1c5ccccc5([nH]c1C2CC34)	2.64
131-16-8	O=C(OCCC)c1ccccc1(C(=O)OCCC)	3.27
131-18-0	O=C(OCCCCC)c1ccccc1(C(=O)OCCCCC)	5.62
131-57-7	O=C(c1ccccc1)c2ccc(OC)cc2(O)	3.79
131-89-5	O=[N+]([O-])c1cc(c(O)c(c1)C2CCCCC2)[N+](=O)[O-]	4.12
131-91-9	O=Nc2c(O)ccc1ccccc12	2.28
132-22-9	n1ccccc1C(c2ccc(cc2)Cl)CCN(C)C	3.38
132-53-6	O=Nc1ccc2ccccc2(c1(O))	2.46
132-64-9	o2c1ccccc1c3ccccc23	4.12
132-65-0	c1ccc3c(c1)c2ccccc2s3	4.38
132-86-5	Oc1cc(O)c2ccccc2(c1)	1.97
133-06-2	O=C1N(C(=O)C2CC=CCC12)SC(Cl)(Cl)Cl	2.8
133-07-3	O=C1c2ccccc2(C(=O)N1SC(Cl)(Cl)Cl)	2.85
133-11-9	O=C(Oc1ccccc1)c2ccc(N)cc2(O)	3.15
133-16-4	O=C(OCCN(CC)CC)c1ccc(N)cc1Cl	2.86
133-32-4	O=C(O)CCCc2c[nH]c1ccccc12	2.3
133-67-5	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(Cl)Cl	0.62
133-91-5	O=C(O)c1cc(cc(c1(O))I)I	4.56
134-20-3	O=C(OC)c1ccccc1(N)	1.88
134-32-7	Nc1cccc2ccccc12	2.25
134-55-4	O=C(Oc1ccccc1)c2ccccc2(OC(=O)C)	2.88
134-62-3	O=C(c1cccc(c1)C)N(CC)CC	2.18
134-81-6	O=C(c1ccccc1)C(=O)c2ccccc2	3.38
134-98-5	O=C(Nc1cccc(c1C)C)C	1.35
135-01-3	c1ccc(c(c1)CC)CC	3.72
135-02-4	O=Cc1ccccc1(OC)	1.72
135-07-9	O=S(=O)(N)c1cc2c(cc1Cl)NC(N(C)S2(=O)(=O))CCl	1.42
135-09-1	O=S(=O)(N)c1cc2c(cc1C(F)(F)F)NCNS2(=O)(=O)	0.36
135-19-3	Oc1ccc2ccccc2(c1)	2.7
135-48-8	c1ccc2cc3cc4cc5ccccc5(cc4(cc3(cc2(c1))))	7.11
135-67-1	O1c3ccccc3(Nc2ccccc12)	3.85
135-98-8	c1ccc(cc1)C(C)CC	4.57
136-45-8	O=C(OCCC)c1ncc(cc1)C(=O)OCCC	3.57
136-60-7	O=C(OCCCC)c1ccccc1	3.84
136-77-6	Oc1ccc(c(O)c1)CCCCCC	3.45
136-83-4	Oc1ccccc1CCCCCCCCC	5.76
137-07-5	Nc1ccccc1S	1.43
137-17-7	Nc1cc(c(cc1C)C)C	2.27
137-18-8	O=C1C=C(C(=O)C=C1C)C	1.28
137-26-8	C(N(C)C)(=S)SSC(N(C)C)=S	1.73
137-58-6	O=C(Nc1c(cccc1C)C)CN(CC)CC	2.44
138-38-5	O=S(=O)(N)c1ccc(cc1)CC	1.31
138-41-0	O=C(O)c1ccc(cc1)S(=O)(=O)N	0.5
138-52-3	OCc2ccccc2(OC1OC(CO)C(O)C(O)C1(O))	-1.22
138-56-7	O=C(NCc1ccc(OCCN(C)C)cc1)c2cc(OC)c(OC)c(OC)c2	2.29
138-86-3	C=C(C)C1CC=C(C)CC1	4.48
139-40-2	n1c(nc(nc1NC(C)C)Cl)NC(C)C	2.93
139-59-3	O(c1ccccc1)c2ccc(N)cc2	2.96
139-65-1	Nc1ccc(cc1)Sc2ccc(N)cc2	2.18
139-66-2	c1ccc(cc1)Sc2ccccc2	4.45
139-71-9	O=CNc1cccc(c1)Cl	1.9
139-84-4	Oc1cccc(c1)CCCCCCCCC	5.61
139-85-5	O=Cc1ccc(O)c(O)c1	1.09
140-10-3	O=C(O)C=Cc1ccccc1	2.13
140-11-4	O=C(OCc1ccccc1)C	1.96
140-29-4	N#CCc1ccccc1	1.56
140-38-5	O=C(N)Nc1ccc(cc1)Cl	1.8
140-40-9	O=C(Nc1ncc([N+](=O)[O-])s1)C	1.3
140-53-4	N#CCc1ccc(cc1)Cl	2.47
140-79-4	O=NN1CCN(N=O)CC1	-0.85
140-88-5	O=C(OCC)C=C	1.32
141-32-2	O=C(OCCCC)C=C	2.36
141-62-8	O([Si](O[Si](C)(C)C)(C)C)[Si](O[Si](C)(C)C)(C)C	5.4
141-66-2	O=C(C=C(OP(=O)(OC)OC)C)N(C)C	-0.49
141-78-6	O=C(OCC)C	0.73
141-82-2	O=C(O)CC(=O)O	-0.81
141-93-5	c1cc(cc(c1)CC)CC	4.57
141-97-9	O=C(OCC)CC(=O)C	0.25
142-28-9	C(CCl)CCl	2
142-62-1	O=C(O)CCCCC	1.92
142-68-7	O1CCCCC1	0.95
142-82-5	CCCCCCC	4.66
142-84-7	N(CCC)CCC	1.67
142-96-1	O(CCCC)CCCC	3.21
143-07-7	O=C(O)CCCCCCCCCCC	4.6
143-08-8	OCCCCCCCCC	3.77
143-50-0	O=C1C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	5.41
143-62-4	O=C1OCC(=C1)C3CCC4(O)(C5CCC2CC(O)CCC2(C)C5(CCC34(C)))	2.64
143-74-8	O=S4(=O)(OC(c1ccc(O)cc1)(c2ccc(O)cc2)c3ccccc34)	3.02
144-11-6	OC(c1ccccc1)(CCN2CCCCC2)C3CCCCC3	4.49
144-19-4	OCC(C)(C)C(O)C(C)C	1.24
144-48-9	O=C(N)CI	-0.19
144-80-9	O=C(NS(=O)(=O)c1ccc(N)cc1)C	-0.96
144-82-1	O=S(=O)(Nc1nnc(C)s1)c2ccc(N)cc2	0.54
144-83-2	O=S(=O)(Nc1ncccc1)c2ccc(N)cc2	0.35
145-13-1	O=C(C)C2CCC3C4CC=C1CC(O)CCC1(C)C4(CCC23(C))	4.22
145-73-3	O=C(O)C2C1OC(CC1)C2(C(=O)O)	1.91
146-22-5	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-]	2.25
146-54-3	FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN(C)C	5.54
147-55-7	O=C(O)C3N2C(=O)C(NC(=O)C(Oc1ccccc1)C)C2SC3(C)(C)	2.2
147-58-0	O=C(O)CNC(=O)c1ccccc1I	0.97
147-85-3	O=C(O)C1NCCC1	-2.54
147-93-3	O=C(O)c1ccccc1S	2.39
148-24-3	Oc1cccc2cccnc12	2.02
148-53-8	O=Cc1cccc(OC)c1(O)	1.37
148-79-8	n1cscc1c2nc3ccccc3([nH]2)	2.47
149-32-6	OCC(O)C(O)CO	-2.29
149-73-5	O(C)C(OC)OC	0.25
149-91-7	O=C(O)c1cc(O)c(O)c(O)c1	0.7
150-13-0	O=C(O)c1ccc(N)cc1	0.83
150-19-6	Oc1cccc(OC)c1	1.34
150-68-5	O=C(Nc1ccc(cc1)Cl)N(C)C	1.94
150-76-5	Oc1ccc(OC)cc1	1.58
151-10-0	O(c1cccc(OC)c1)C	2.21
151-67-7	FC(F)(F)C(Cl)Br	2.3
152-02-3	Oc1ccc2c(c1)C34(CCN(CC=C)C(C2)C4(CCCC3))	3.48
152-47-6	O=S(=O)(Nc1nccnc1(OC))c2ccc(N)cc2	0.7
152-58-9	O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C(=O)CO))))C3(C)CC4	3.08
153-61-7	O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))	0
153-78-6	Nc2ccc3c1ccccc1Cc3(c2)	3.14
154-21-2	O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2N(C)CC(CCC)C2	0.56
154-23-4	Oc3cc(O)c2c(OC(c1ccc(O)c(O)c1)C(O)C2)c3	0.51
154-93-8	O=NN(C(=O)NCCCl)CCCl	1.53
156-34-3	NC(C)Cc1ccccc1	1.76
156-38-7	O=C(O)Cc1ccc(O)cc1	0.75
156-43-4	O(c1ccc(N)cc1)CC	1.24
156-59-2	C(=CCl)Cl	1.98
156-87-6	OCCCN	-1.12
191-07-1	c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67	7.64
191-24-2	c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56	6.63
191-26-4	c1cc2ccc3cc6cccc5ccc4cc(c1)c2c3c4c56	7.04
191-30-0	c1ccc3c(c1)cc4ccc5cccc6c2ccccc2c3c4c56	7.71
191-68-4	c1ccc4c(c1)c2ccccc2c5c6ccccc6(c3ccccc3c45)	8.39
194-69-4	c1ccc5c(c1)ccc4c5(ccc3ccc2ccccc2c34)	7.11
198-55-0	c1cc2cccc3c5cccc4cccc(c(c1)c23)c45	6.25
205-43-6	c1ccc2c(c1)ccc4c2c3ccccc3s4	5.19
205-99-2	c1ccc3c(c1)cc5c2ccccc2c4cccc3c45	5.78
206-44-0	c1ccc2c(c1)c4cccc3cccc2c34	5.16
207-08-9	c1ccc2cc3c5cccc4cccc(c3(cc2(c1)))c45	6.11
208-96-8	c1cc2cccc3C=Cc(c1)c23	3.94
213-46-7	c1ccc5c(c1)ccc3c5(ccc2c4ccccc4(ccc23))	7.11
214-17-5	c4ccc5cc2c(ccc1c3ccccc3(ccc12))cc5(c4)	7.11
215-58-7	c2ccc3cc4c5ccccc5(c1ccccc1c4(cc3(c2)))	6.41
215-62-3	n1c5ccccc5(cc4c1c2ccccc2c3ccccc34)	5.66
217-59-4	c1ccc3c(c1)c2ccccc2c4ccccc34	5.49
218-01-9	c1ccc2c(c1)ccc3c4ccccc4(ccc23)	5.81
219-25-0	c1ccc4c(c1)ccc3c4(ccc2c3(ccs2))	5.35
224-41-9	c1ccc4c(c1)ccc3cc5ccc2ccccc2c5(cc34)	6.54
224-42-0	n2c5ccc1ccccc1c5(cc4c2ccc3ccccc34)	5.63
224-53-3	n4c2c(ccc1ccccc12)cc5ccc3ccccc3c45	6.45
226-36-8	n3c5ccc1ccccc1c5(cc4ccc2ccccc2c34)	5.73
226-88-0	c3ccc4cc5cc2c(ccc1ccccc12)cc5(cc4(c3))	6.81
229-87-8	n2cc1ccccc1c3ccccc23	3.48
230-07-9	n1cccc3c1ccc2ncccc23	2.05
230-17-1	n2nc1ccccc1c3ccccc23	2.4
230-27-3	n2cccc3ccc1ccccc1c23	3.43
230-46-6	n1cccc3c1ccc2cccnc23	2.51
233-02-3	c1ccc3c(c1)ccc2c3(ccs2)	4.41
234-41-3	c1ccc3c(c1)ccc2ccsc23	4.55
238-84-6	c1ccc3c(c1)ccc4c2ccccc2Cc34	5.4
239-64-5	c1ccc3c(c1)ccc4c5ccc2ccccc2c5([nH]c34)	6.4
243-17-4	c1ccc2cc4c(cc2(c1))c3ccccc3C4	5.77
243-42-5	o2c1ccccc1c3cc4ccccc4(cc23)	5.05
243-46-9	c1ccc2cc4c(cc2(c1))c3ccccc3s4	5.34
244-63-3	n1ccc3c(c1)[nH]c2ccccc23	3.17
244-99-5	n1cccc3c1c2ccccc2C3	2.96
253-52-1	n1ncc2ccccc2(c1)	0.57
253-66-7	n1nc2ccccc2(cc1)	0.93
253-82-7	n1cnc2ccccc2(c1)	1
260-94-6	n1c3ccccc3(cc2ccccc12)	3.4
262-12-4	O1c3ccccc3(Oc2ccccc12)	4.3
262-20-4	O2c1ccccc1Sc3ccccc23	4.54
268-77-9	c2ccc3cc1c(ccs1)cc3(c2)	4.5
271-44-3	n1cc2ccccc2([nH]1)	1.77
271-89-6	o1ccc2ccccc12	2.67
271-95-4	n1oc2ccccc2(c1)	1.63
272-97-9	n1ccc2[nH]cnc2(c1)	0.18
273-21-2	n1cccc2nc[nH]c12	0.3
273-53-0	n1coc2ccccc12	1.59
274-09-9	O1c2ccccc2(OC1)	2.08
274-55-5	n1cccc2cc[nH]c12	1.82
278-06-8	C2C1C3C1C4C2C34	2.9
279-23-2	C1CC2CCC1C2	3.78
281-23-2	C1C2CC3CC1CC(C2)C3	4.24
286-16-8	O1C2CCCCCC12	1.26
287-92-3	C1CCCC1	3
288-13-1	n1ccc[nH]1	0.26
288-14-2	n1occc1	0.08
288-32-4	n1cc[nH]c1	-0.08
288-36-8	n1n[nH]cc1	-0.29
288-37-9	n1oncc1	0.16
288-42-6	n1cocc1	0.12
288-47-1	n1ccsc1	0.44
288-88-0	n1nc[nH]c1	-0.58
288-94-8	n1nc[nH]n1	-0.6
289-80-5	n1ncccc1	-0.72
289-95-2	n1cnccc1	-0.4
290-37-9	n1ccncc1	-0.26
290-87-9	n1cncnc1	0.12
291-64-5	C1CCCCCC1	4
292-64-8	C1CCCCCCC1	4.45
294-93-9	O1CCOCCOCCOCC1	-0.04
298-00-0	O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1	2.86
298-02-2	O(CC)P(OCC)(=S)SCSCC	3.56
298-04-4	O(CC)P(OCC)(=S)SCCSCC	4.02
298-46-4	O=C(N)N2c3ccccc3(C=Cc1ccccc12)	2.45
298-57-7	c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4	5.77
299-84-3	O(c1cc(c(cc1Cl)Cl)Cl)P(OC)(OC)=S	4.88
299-85-4	O(c1ccc(cc1Cl)Cl)P(OC)(NC(C)C)=S	4.3
299-86-5	O=P(Oc1ccc(cc1Cl)C(C)(C)C)(OC)NC	3.42
300-48-1	O=C(O)C(N)Cc1ccc(O)c(OC)c1	-2.54
300-57-2	C=CCc1ccccc1	3.23
300-76-5	O=P(OC)(OC)OC(C(Cl)(Cl)Br)Br	1.38
301-00-8	O=C(OC)CCCCCCCC=CCC=CCC=CCC	6.29
301-12-2	O=S(CC)CCSP(=O)(OC)OC	-0.75
302-17-0	OC(O)C(Cl)(Cl)Cl	0.99
302-41-0	N#CC(c1ccccc1)(c2ccccc2)CCN4CCC(C(=O)N)(N3CCCCC3)CC4	3.91
302-79-4	O=C(O)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	6.3
303-07-1	O=C(O)c1c(O)cccc1(O)	2.2
303-34-4	O=C(OC2CCN1CC=C(COC(=O)C(O)(C(OC)C)C(O)(C)C)C12)C(=CC)C	1.28
303-38-8	O=C(O)c1cccc(O)c1(O)	1.2
303-47-9	O=C1OC(C)Cc2c1c(O)c(cc2Cl)C(=O)NC(C(=O)O)Cc3ccccc3	4.74
303-49-1	c1ccc3c(c1)N(c2cc(ccc2CC3)Cl)CCCN(C)C	5.19
305-62-4	O=C(O)C(N)CCN	-4.64
306-08-1	O=C(O)Cc1ccc(O)c(OC)c1	0.33
306-18-3	N#CC(C#N)=NNc1ccccc1	2.67
306-44-5	O=C(C=NO)C	0.34
309-00-2	C1=CC2CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl	6.5
309-11-5	FC(F)(F)C(F)(F)c1ccccc1	3.36
311-45-5	O=[N+]([O-])c1ccc(OP(=O)(OCC)OCC)cc1	1.98
312-35-6	O=S(=O)(c1ccc(F)cc1)c2ccc(N)cc2	2.17
312-73-2	FC(F)(F)c1nc2ccccc2([nH]1)	2.67
312-90-3	O=C3C=C2CCC1C4CCC(C(=O)C)C4(C)(CC(O)C1C2(C)CC3)	2.36
314-40-9	O=C1NC(=C(C(=O)N1C(C)CC)Br)C	2.11
315-18-4	O=C(Oc1cc(c(c(c1)C)N(C)C)C)NC	2.56
317-57-7	FC(F)(F)c2cccc1cccnc12	2.5
319-81-3	C1=CC(C(C(C1Cl)Cl)Cl)Cl	3.29
321-14-2	O=C(O)c1cc(ccc1(O))Cl	3.09
321-28-8	Fc1ccccc1(OC)	2.14
321-64-2	n2c1ccccc1c(N)c3c2CCCC3	2.71
322-46-3	n1ccnc2cccnc12	-0.04
325-14-4	FC(F)(F)c1ccc2cccnc2(c1)	3.02
326-91-0	O=C(c1cccs1)CC(=O)C(F)(F)F	1.46
327-19-5	O=[N+]([O-])c1ccc2[nH]c(nc2(c1))C(F)(F)F	2.68
327-57-1	O=C(O)C(N)CCCC	-1.53
327-98-0	O(c1cc(c(cc1Cl)Cl)Cl)P(OCC)(CC)=S	5.23
328-74-5	FC(F)(F)c1cc(N)cc(c1)C(F)(F)F	3.57
329-20-4	O=C(Nc1ccc(cc1)S(=O)(=O)F)C	2.17
330-39-2	O=C(Nc1cccc(F)c1)N(C)C	1.37
330-54-1	O=C(Nc1ccc(c(c1)Cl)Cl)N(C)C	2.68
330-55-2	O=C(Nc1ccc(c(c1)Cl)Cl)N(OC)C	3.2
330-64-3	O=C(Oc1cc(cc(c1)C(C)C)C(C)C)NC	3.79
331-25-9	O=C(O)Cc1cccc(F)c1	1.65
331-39-5	O=C(O)C=Cc1ccc(O)c(O)c1	1.15
332-33-2	O=C(Nc1ccc(F)cc1)N(C)C	1.13
333-41-5	n1c(OP(OCC)(OCC)=S)cc(nc1C(C)C)C	3.81
334-48-5	O=C(O)CCCCCCCCC	4.09
338-95-4	O=C1C=CC3(C(=C1)CCC2C4CCC(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)	1.51
339-43-5	O=C(NCCCC)NS(=O)(=O)c1ccc(N)cc1	1.01
344-53-6	O=C(Nc1ccc(cc1C(F)(F)F)Cl)C	1.98
344-62-7	O=C(Nc1ccccc1C(F)(F)F)C	1.17
345-35-7	Fc1ccccc1CCl	2.67
346-18-9	O=S(=O)(N)c1cc2c(cc1Cl)NC(N(C)S2(=O)(=O))CSCC(F)(F)F	1.9
348-10-7	O=C(O)COc1ccccc1(F)	1.39
348-54-9	Fc1ccccc1(N)	1.26
348-90-3	O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)C	3.33
349-27-9	O=C(Nc1cc(ccc1(F))C(F)(F)F)C	2.24
349-75-7	FC(F)(F)c1cccc(c1)CO	2.24
349-82-6	O=C(O)COc1cccc(c1)C(F)(F)F	2.36
349-97-3	O=C(Nc1ccc(cc1)C(F)(F)F)C	2.52
351-28-0	O=C(Nc1cccc(F)c1)C	1.65
351-35-9	O=C(O)Cc1cccc(c1)C(F)(F)F	2.62
351-36-0	O=C(Nc1cccc(c1)C(F)(F)F)C	2.56
351-83-7	O=C(Nc1ccc(F)cc1)C	1.47
352-11-4	Fc1ccc(cc1)CCl	2.73
352-33-0	Fc1ccc(cc1)Cl	2.78
352-61-4	FC(F)(F)CCCCO	1.15
352-87-4	O=C(OCC(F)(F)F)C(=C)C	1.56
352-93-2	CCSCC	1.95
354-38-1	O=C(N)C(F)(F)F	0.12
355-68-0	FC1(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)(F))	2.91
356-12-7	O=C(OCC(=O)C35(OC(OC5(CC2C4CC(F)C1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))(C)C))C	3.19
357-56-2	O=C(N1CCCC1)C(c2ccccc2)(c3ccccc3)C(C)CN4CCOCC4	3.61
357-57-3	O=C2N6c1cc(OC)c(OC)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)	0.98
359-83-1	Oc1ccc2c(c1)C3(C)(CCN(CC=C(C)C)C(C2)C3(C))	4.64
360-64-5	O=C(N)c1ccccc1C(F)(F)F	0.68
360-97-4	O=C(N)c1[nH]cnc1(N)	-1.1
362-29-8	O=C(c1ccc3c(c1)N(c2ccccc2S3)CC(N(C)C)C)CC	4.79
363-03-1	O=C1C=CC(=O)C(=C1)c2ccccc2	1.95
363-24-6	O=C(O)CCCC=CCC1C(=O)CC(O)C1(C=CC(O)CCCCC)	2.82
363-72-4	Fc1cc(F)c(F)c(F)c1(F)	2.53
364-62-5	O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))Cl	2.62
366-18-7	n1ccccc1c2ncccc2	1.5
367-11-3	Fc1ccccc1(F)	2.37
367-12-4	Fc1ccccc1(O)	1.71
367-21-5	Fc1ccc(N)cc1Cl	2.06
367-23-7	Fc1ccc(F)c(F)c1	2.52
367-25-9	Fc1ccc(N)c(F)c1	1.54
367-49-7	O=C(NC)CF	-0.83
367-93-1	OCC1OC(C(O)C(O)C1(O))SC(C)C	-1.26
369-24-4	O=C(NN)c1ccnc(F)c1	-0.11
370-09-2	n1cccc(c1)CN2CCCC2	1.1
370-86-5	N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1	3.68
371-40-4	Fc1ccc(N)cc1	1.15
371-41-5	Fc1ccc(O)cc1	1.77
371-62-0	FCCO	-0.67
372-09-8	N#CCC(=O)O	-0.76
372-18-9	Fc1cccc(F)c1	2.21
372-19-0	Fc1cccc(N)c1	1.3
372-20-3	Fc1cccc(O)c1	1.93
372-47-4	Fc1cnccc1	0.77
372-48-5	Fc1ncccc1	0.84
372-75-8	O=C(N)NCCCC(N)C(=O)O	-3.19
374-01-6	FC(F)(F)C(O)C	0.71
375-01-9	FC(F)(F)C(F)(F)C(F)(F)CO	1.94
382-67-2	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(C(=O)CO)C4(C)(CC(O)C23(F)))(C)	2.35
383-63-1	O=C(OCC)C(F)(F)F	1.18
384-22-5	O=[N+]([O-])c1ccccc1C(F)(F)F	2.58
384-97-4	FC(F)(F)C(c1ccc(OC)cc1)c2ccc(OC)cc2	4.76
385-00-2	O=C(O)c1c(F)cccc1(F)	1.59
389-08-2	O=C(O)C1=CN(c2nc(ccc2(C1(=O)))C)CC	1.59
392-56-3	Fc1c(F)c(F)c(F)c(F)c1(F)	2.55
393-75-9	O=[N+]([O-])c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F	2.5
394-35-4	O=C(OC)c1ccccc1(F)	1.82
394-68-3	Fc1cccc2cccnc12	2.19
395-36-8	O=C(Nc1cccc(c1(F))Cl)C	1.83
396-01-0	n1c(nc(N)c2nc(c(nc12)N)c3ccccc3)N	0.98
399-31-5	O=C(Nc1ccccc1(F))C	1.03
400-99-7	O=[N+]([O-])c1cc(ccc1(O))C(F)(F)F	2.34
402-31-3	FC(F)(F)c1cccc(c1)C(F)(F)F	3.83
402-38-0	FC(F)(F)c1cccc(N=NN(C)C)c1	3.78
402-45-9	FC(F)(F)c1ccc(O)cc1	2.82
402-54-0	O=[N+]([O-])c1ccc(cc1)C(F)(F)F	2.55
403-33-8	O=C(OC)c1ccc(F)cc1	2.28
403-54-3	N#Cc1cccc(F)c1	1.47
404-24-0	O=C(Nc1ccccc1)C(F)(F)F	2.21
404-98-8	O=C(O)COc1cccc(F)c1	1.48
405-50-5	O=C(O)Cc1ccc(F)cc1	1.55
405-79-8	O=C(O)COc1ccc(F)cc1	1.64
420-04-2	N#CN	-0.82
421-50-1	O=C(C)C(F)(F)F	0.2
425-32-1	FC(F)(c1ccccc1)C(F)(F)c2ccccc2	5
426-13-1	O=C1C=CC3(C(=C1)C(C)CC2C4CCC(O)(C(=O)C)C4(C)(CC(O)C23(F)))(C)	2
426-65-3	O=C(OCC)C(F)(F)C(F)(F)F	2.12
430-51-3	O=C(C)CF	-0.39
431-47-0	O=C(OC)C(F)(F)F	0.6
433-17-0	O=S(=O)(N)c2nc1ccccc1s2	1.33
433-19-2	FC(F)(F)c1ccc(cc1)C(F)(F)F	3.83
434-03-7	O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C#C))))C3(C)CC4	3.11
434-22-0	O=C4C=C3CCC1C(CCC2(C)(C(O)CCC12))C3CC4	2.62
434-45-7	O=C(c1ccccc1)C(F)(F)F	2.15
434-75-3	O=C(O)c1c(F)cccc1Cl	2.11
437-38-7	O=C(N(c1ccccc1)C3CCN(CCc2ccccc2)CC3)CC	4.05
439-14-5	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)C	2.82
442-51-3	n1ccc2c3ccc(OC)cc3([nH]c2(c1C))	3.56
444-30-4	FC(F)(F)c1ccccc1(O)	2.8
445-28-3	O=C(N)c1ccccc1(F)	0.59
445-29-4	O=C(O)c1ccccc1(F)	1.77
445-66-9	O=[N+]([O-])c1cc(cc(c1(N))[N+](=O)[O-])C(F)(F)F	2.29
446-31-1	O=C(O)c1ccc(N)cc1(F)	1.29
446-36-6	O=[N+]([O-])c1ccc(F)cc1(O)	1.91
446-51-5	Fc1ccccc1CO	1.31
446-86-6	O=[N+]([O-])c1ncn(c1Sc3ncnc2[nH]cnc23)C	0.1
451-13-8	O=C(O)Cc1cc(O)ccc1(O)	0.86
451-40-1	O=C(c1ccccc1)Cc2ccccc2	3.18
451-82-1	O=C(O)Cc1ccccc1(F)	1.5
452-35-7	O=S(=O)(N)c2nc1ccc(OCC)cc1s2	2.01
452-86-8	Oc1ccc(cc1(O))C	1.37
453-13-4	FCC(O)CF	-0.36
454-31-9	O=C(OCC)C(F)F	0.87
454-89-7	O=Cc1cccc(c1)C(F)(F)F	2.47
454-92-2	O=C(O)c1cccc(c1)C(F)(F)F	2.95
455-14-1	FC(F)(F)c1ccc(N)cc1	1.95
455-16-3	O=S(=O)(F)c1ccc(cc1)C	2.74
455-24-3	O=C(O)c1ccc(cc1)C(F)(F)F	3.1
455-36-7	O=C(c1cccc(F)c1)C	1.77
455-37-8	O=C(N)c1cccc(F)c1	0.91
455-38-9	O=C(O)c1cccc(F)c1	2.15
455-87-8	O=C(O)c1ccc(N)c(F)c1	1.41
456-22-4	O=C(O)c1ccc(F)cc1	2.07
456-55-3	FC(F)(F)Oc1ccccc1	3.17
456-56-4	FC(F)(F)Sc1ccccc1	3.57
456-64-4	O=S(=O)(Nc1ccccc1)C(F)(F)F	3.05
458-24-2	FC(F)(F)c1cccc(c1)CC(NCC)C	3.36
458-92-4	FC(F)Oc1ccccc1	2.44
459-25-6	O=CNc1ccc(F)cc1	1.27
459-56-3	Fc1ccc(cc1)CO	1.36
459-57-4	O=Cc1ccc(F)cc1	1.54
459-60-9	Fc1ccc(OC)cc1	2.26
460-00-4	Fc1ccc(cc1)Br	3.08
461-72-3	O=C1NC(=O)CN1	-1.69
461-78-9	NC(C)(C)Cc1ccc(cc1)Cl	2.6
461-98-3	n1c(N)cc(nc1C)C	0.39
462-06-6	Fc1ccccc1	2.27
462-43-1	FCCCO	-0.28
462-95-3	O(COCC)CC	0.84
463-40-1	O=C(O)CCCCCCCC=CCC=CCC=CCC	6.46
463-49-0	C(=C)=C	1.45
463-82-1	CC(C)(C)C	3.11
464-07-3	OC(C)C(C)(C)C	1.48
465-15-6	O=C1OCC(=C1)C3C(OC(=O)C)CC4(O)(C5CCC2CC(O)CCC2(C)C5(CCC34(C)))	1.93
465-16-7	O=C1OCC(=C1)C4C(OC(=O)C)CC5(O)(C6CCC3CC(OC2OC(C)C(O)C(OC)C2)CCC3(C)C6(CCC45(C)))	2.4
465-29-2	O=C1C(=O)C2(C)(CCC1C2(C)(C))	1.52
465-62-3	O=C2N6c1ccccc1C57(CCN4CC3=CCOC(C2)C(C3CC45(O))C67)	1.82
465-65-6	O=C1CCC5(O)(C4N(CC=C)CCC25(c3c(OC12)c(O)ccc3C4))	2.09
466-06-8	O=C1OC=C(C=C1)C4CCC5(O)(C6CCC3=CC(OC2OC(C)C(O)C(O)C2(O))CCC3(C)C6(CCC45(C)))	2.48
466-07-9	O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(OC)C2(O))CCC3(C)C6(CCC45(C)))	2.1
466-97-7	Oc5ccc4c1c5(OC2C(O)C=CC3C(NCCC123)C4)	-0.17
467-15-2	OC1C=CC5C4NCCC25(c3c(OC12)c(OC)ccc3C4)	0.69
468-50-8	O=C(OC2(c1ccccc1)(CCN(C)CC2(CC)))CC	3.61
469-01-2	OC13(c4cc5OCOc5(cc4(OC3(c2ccc(OC)cc2(OC1)))))	2.58
469-62-5	O=C(OC(c1ccccc1)(Cc2ccccc2)C(C)CN(C)C)CC	4.18
470-17-7	O=C1OC2CC3(C)(CCCC(=C)C3(CC2(C1(=C))))	3.42
470-67-7	O1C2(C)(CCC1(CC2)C(C)C)	2.97
470-82-6	O1C(C)(C)C2CCC1(C)CC2	2.74
470-90-6	O=P(OC(=CCl)c1ccc(cc1Cl)Cl)(OCC)OCC	3.81
475-31-0	O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CC(O)C23(C))	1.65
475-38-7	O=C1C=CC(=O)c2c(O)ccc(O)c12	1.79
477-30-5	O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(NC)	1.37
479-27-6	Nc1cccc2cccc(N)c12	1.78
479-92-5	O=C2C(=C(N(N2(c1ccccc1))C)C)C(C)C	1.94
480-16-0	O=C1C(O)=C(Oc2cc(O)cc(O)c12)c3ccc(O)cc3(O)	1.54
480-18-2	O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)c(O)c1)C2(O))	0.95
480-40-0	O=C1C=C(Oc2cc(O)cc(O)c12)c3ccccc3	3.52
480-41-1	O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)cc1)C2)	2.52
481-39-0	O=C1C=CC(=O)c2c(O)cccc12	1.92
482-05-3	O=C(O)c1ccccc1c2ccccc2(C(=O)O)	2.07
483-54-5	O=C1C(OC)=C(OC)C(=O)C(=C1C)C	1.26
486-12-4	n1ccccc1C(=CCN2CCCC2)c3ccc(cc3)C	3.92
486-25-9	O=C2c1ccccc1c3ccccc23	3.58
486-56-6	O=C2N(C)C(c1cnccc1)CC2	0.07
486-84-0	n2ccc1c3ccccc3([nH]c1c2C)	3.1
487-26-3	O=C2c3ccccc3(OC(c1ccccc1)C2)	3.14
487-54-7	O=C(O)CNC(=O)c1ccccc1(O)	0.95
487-89-8	O=Cc1c[nH]c2ccccc12	1.68
488-23-3	c1cc(c(c(c1C)C)C)C	4
488-41-5	OC(CBr)C(O)C(O)C(O)CBr	-0.27
488-93-7	O=C(O)c1cocc1	1.03
490-79-9	O=C(O)c1cc(O)ccc1(O)	1.74
490-91-5	O=C1C=C(C(=O)C=C1C)C(C)C	2.2
491-35-0	n1ccc(c2ccccc12)C	2.61
491-70-3	O=C1C=C(Oc2cc(O)cc(O)c12)c3ccc(O)c(O)c3	2.53
491-78-1	O=C1C=C(Oc2cccc(O)c12)c3ccccc3	4.3
492-14-8	O=C2c3ccc(O)cc3(OC(c1ccc(O)c(O)c1)C2)	1.94
492-22-8	O=C2c1ccccc1Sc3ccccc23	3.99
492-94-4	O=C(C(=O)c1occc1)c2occc2	1.24
492-97-7	c2cc(c1cccs1)sc2	3.75
493-09-4	O1c2ccccc2(OCC1)	2.01
494-52-0	n1cccc(c1)C2NCCCC2	0.97
494-97-3	n1cccc(c1)C2NCCC2	0.17
495-18-1	O=C(NO)c1ccccc1	0.26
495-40-9	O=C(c1ccccc1)CCC	2.77
495-69-2	O=C(O)CNC(=O)c1ccccc1	0.31
495-76-1	OCc1ccc2OCOc2(c1)	1.05
496-11-7	c1ccc2c(c1)CCC2	3.18
496-14-0	O2Cc1ccccc1C2	1.76
496-16-2	O2c1ccccc1CC2	2.14
496-41-3	O=C(O)c1oc2ccccc2(c1)	2.41
496-63-9	O=C1C=COC=C1(O)	-0.92
496-67-3	O=C(N)NC(=O)C(C(C)C)Br	1.14
496-72-0	Nc1ccc(cc1(N))C	0.66
497-23-4	O=C1OCC=C1	-0.6
497-36-9	OC2CC1CCC2(C1)	1.41
497-76-7	Oc2ccc(OC1OC(CO)C(O)C(O)C1(O))cc2	-1.35
498-60-2	O=Cc1cocc1	0.51
498-62-4	O=Cc1ccsc1	1.01
498-66-8	C1=CC2CCC1C2	3.24
498-94-2	O=C(O)C1CCNCC1	-3.05
499-75-2	Oc1cc(ccc1C)C(C)C	3.49
500-22-1	O=Cc1cnccc1	0.29
500-28-7	O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1Cl	3.45
500-99-2	Oc1cc(OC)cc(OC)c1	1.64
501-30-4	O=C1C=C(OC=C1(O))CO	-0.64
501-52-0	O=C(O)CCc1ccccc1	1.84
501-65-5	C(#Cc1ccccc1)c2ccccc2	4.78
501-89-3	O=C(O)c1ccc(cc1)CC(=O)O	1.24
501-98-4	O=C(O)C=Cc1ccc(O)cc1	1.63
502-56-7	O=C(CCCC)CCCC	2.88
503-09-3	FCC1OC1	-0.16
503-17-3	C(#CC)C	1.46
503-74-2	O=C(O)CC(C)C	1.16
504-24-5	n1ccc(N)cc1	0.26
505-02-2	O=C(OC)C=CC#CC#CC=CC	2.45
506-30-9	O=C(O)CCCCCCCCCCCCCCCCCCC	9.29
506-32-1	O=C(O)CCCC=CCC=CCC=CCC=CCCCCC	6.98
507-52-8	FC(F)(F)C(O)(C)C	1.04
508-52-1	O=C1OCC(=C1)C2CCC3(O)(C4CCC5(O)(CC(O)CC(O)C5(CO)(C4(C(O)CC23(C)))))	-0.02
508-59-8	O=C1OC2C(C1(=C))CCC(C)C3(O)(C=CC(=O)C23(C))	0.77
508-75-8	O=CC56(CCC(OC1OC(C)C(O)C(O)C1(O))CC6(O)(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))	-0.48
508-77-0	O=CC56(CCC(OC1OC(C)C(O)C(OC)C1)CC6(O)(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))	0.64
508-93-0	O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2(O))CCC3(C)C6(CCC45(C)))	2.1
509-36-4	O=C2N6c1ccc(OC)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)	1.85
509-74-0	O=C(OC(CC)C(c1ccccc1)(c2ccccc2)CC(N(C)C)C)C	4.27
509-86-4	O=C1NC(=O)C(C(=O)N1)(C2=CCCCCC2)CC	2.03
509-93-3	O=C1OC2C(C1(=C))CCC(C)C3C=CC(=O)C23(C)	1.03
510-15-6	O=C(OCC)C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl	4.74
512-56-1	O=P(OC)(OC)OC	-0.65
513-08-6	O=P(OCCC)(OCCC)OCCC	1.87
513-35-9	C(=C(C)C)C	2.67
513-49-5	NC(C)CC	0.74
514-61-4	O=C4C=C3CCC2C(CCC1(C)(C2(CCC1(O)(C))))C3CC4	2.99
514-65-8	OC(c1ccccc1)(CCN2CCCCC2)C4CC3C=CC4(C3)	4.25
515-00-4	OCC1=CCC2CC1C2(C)(C)	3.22
515-30-0	O=C(O)C(O)(c1ccccc1)C	0.8
515-64-0	O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2	-0.33
517-60-2	O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1(C(=O)O)	1.5
518-12-7	O=C1C=CC2=C(C=C1(OC))C(NC(=O)C)CCc3cc(OC)c(OC)c(OC)c23	1
518-28-5	O=C3OCC4C(O)c1cc5OCOc5(cc1C(c2cc(OC)c(OC)c(OC)c2)C34)	2.01
519-23-3	n1ccc3c(c1)c(c2c4ccccc4([nH]c2c3C))C	4.8
519-44-8	O=[N+]([O-])c1ccc(O)c(c1(O))[N+](=O)[O-]	2.1
520-03-6	O=C2c3ccccc3(C(=O)N2(c1ccccc1))	2.4
520-27-4	O=C3C=C(Oc4cc(OC2OC(COC1OC(C)C(O)C(O)C1(O))C(O)C(O)C2(O))cc(O)c34)c5ccc(OC)c(O)c5	0.14
520-33-2	O=C2c3c(O)cc(O)cc3(OC(c1ccc(OC)c(O)c1)C2)	2.6
520-34-3	O=C1C=C(Oc2cc(O)cc(O)c12)c3ccc(OC)c(O)c3	3.1
520-36-5	O=C1C=C(Oc2cc(O)cc(O)c12)c3ccc(O)cc3	3.02
522-00-9	c1ccc3c(c1)N(c2ccccc2S3)CC(N(CC)CC)C	4.77
522-24-7	c1ccc3c(c1)N(c2ccccc2S3)CCN(C)C	4.2
523-50-2	O=C1Oc3c(C=C1)ccc2occc23	2.08
525-66-6	OC(COc1cccc2ccccc12)CNC(C)C	3.48
525-74-6	n1cccc(c1)C2=CCCN2C	1.13
525-82-6	O=C1C=C(Oc2ccccc12)c3ccccc3	3.56
525-97-3	O=C(O)C2N1C(=O)C(NC(=O)CCCCCCC)C1SC2(C)(C)	3.32
526-73-8	c1cc(c(c(c1)C)C)C	3.66
526-75-0	Oc1cccc(c1C)C	2.48
526-86-3	O=C1C=CC(=O)C(=C1C)C	1.23
527-17-3	O=C1C(=C(C(=O)C(=C1C)C)C)C	2.23
527-20-8	Nc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	4.82
527-53-7	c1c(cc(c(c1C)C)C)C	4.1
527-60-6	Oc1c(cc(cc1C)C)C	2.73
527-61-7	O=C1C=C(C(=O)C(=C1)C)C	1.22
527-72-0	O=C(O)c1cccs1	1.57
527-73-1	O=[N+]([O-])c1ncc[nH]1	0.15
527-75-3	O=C3OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C	3.12
527-84-4	c1ccc(c(c1)C)C(C)C	4.38
527-85-5	O=C(N)c1ccccc1C	0.76
528-29-0	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	1.69
529-19-1	N#Cc1ccccc1C	2.21
529-20-4	O=Cc1ccccc1C	2.26
529-33-9	OC2c1ccccc1CCC2	1.98
529-35-1	Oc1cccc2c1CCCC2	2.95
529-37-3	O=C1C=CNc2ccccc12	0.58
529-64-6	O=C(O)C(c1ccccc1)CO	0.77
530-50-7	NN(c1ccccc1)c2ccccc2	2.8
530-55-2	O=C1C=C(OC)C(=O)C(OC)=C1	-0.06
530-57-4	O=C(O)c1cc(OC)c(O)c(OC)c1	1.04
532-03-6	O=C(OCC(O)COc1ccccc1(OC))N	0.61
532-11-6	O(c1ccc(cc1)C2=CC(=S)SS2)C	3.82
533-45-9	n1csc(c1C)CCCl	2.12
533-58-4	Oc1ccccc1I	2.65
533-74-4	C1(N(C)CN(C)CS1)(=S)	1.4
534-13-4	N(C(NC)=S)C	-0.24
534-22-5	o1cccc1C	1.85
534-25-8	C1=CSSC1=S	1.58
534-52-1	O=[N+]([O-])c1cc(c(O)c(c1)C)[N+](=O)[O-]	2.12
534-82-7	Oc1ccc(cc1(OC))C(O)CO	-0.58
535-75-1	O=C(O)C1NCCCC1	-2.31
535-77-3	c1cc(cc(c1)C(C)C)C	4.5
535-80-8	O=C(O)c1cccc(c1)Cl	2.68
536-40-3	O=C(NN)c1ccc(cc1)Cl	1.18
536-59-4	OCC1=CCC(C(=C)C)CC1	3.17
536-66-3	O=C(O)c1ccc(cc1)C(C)C	3.4
536-74-3	C#Cc1ccccc1	2.53
536-75-4	n1ccc(cc1)CC	1.65
536-78-7	n1cccc(c1)CC	1.66
536-90-3	O(c1cccc(N)c1)C	0.93
537-46-2	c1ccc(cc1)CC(NC)C	2.07
537-55-3	O=C(O)C(NC(=O)C)Cc1ccc(O)cc1	1.32
537-91-7	O=[N+]([O-])c1cccc(c1)SSc2cccc(c2)[N+](=O)[O-]	4.06
538-32-9	O=C(N)NCc1ccccc1	0.73
538-43-2	OCC(O)COc1ccccc1	0.7
538-51-2	N(=Cc1ccccc1)c2ccccc2	2.82
538-68-1	c1ccc(cc1)CCCCC	4.9
538-86-3	O(C)Cc1ccccc1	1.92
539-03-7	O=C(Nc1ccc(cc1)Cl)C	2.09
540-36-3	Fc1ccc(F)cc1	2.13
540-37-4	Nc1ccc(cc1)I	2.34
540-38-5	Oc1ccc(cc1)I	2.91
540-51-2	OCCBr	0.23
540-54-5	CCCCl	2.04
540-61-4	N#CCN	-1.37
540-88-5	O=C(OC(C)(C)C)C	1.76
541-01-5	O([Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C	7.2
541-02-6	O1[Si](O[Si](O[Si](O[Si](O[Si]1(C)C)(C)C)(C)C)(C)C)(C)C	5.2
541-35-5	O=C(N)CCC	-0.21
541-59-3	O=C1C=CC(=O)N1	-0.29
541-73-1	c1cc(cc(c1)Cl)Cl	3.53
541-79-7	O=C(OCC)NC(O)C(Cl)(Cl)Cl	1.84
542-28-9	O=C1OCCCC1	-0.35
542-54-1	N#CCCC(C)C	1.54
542-76-7	N#CCCCl	0.18
542-85-8	C(=NCC)=S	1.47
543-49-7	OC(C)CCCCC	2.31
543-59-9	CCCCCCl	2.73
543-87-3	O=[N+]([O-])OCCC(C)C	2.84
544-13-8	N#CCCCC#N	-0.72
544-25-2	C1=CC=CCC=C1	2.63
544-63-8	O=C(O)CCCCCCCCCCCCC	6.11
545-06-2	N#CC(Cl)(Cl)Cl	2.09
545-26-6	O=C1OCC(=C1)C3C(O)CC4(O)(C5CCC2CC(O)CCC2(C)C5(CCC34(C)))	1.6
545-27-7	O=C1OCC(=C1)C4C(O)CC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2)CCC3(C)C6(CCC45(C)))	1.77
545-55-1	O=P(N1CC1)(N2CC2)N3CC3	-0.62
545-93-7	O=C1NC(=O)C(C(=O)N1)(CC(=C)Br)C(C)C	1.47
546-43-0	O=C1OC2CC3(C(=CC2(C1(=C)))C(C)CCC3)(C)	3.38
546-88-3	O=C(NO)C	-1.59
547-52-4	O=S(=O)(N)c1ccc(cc1)NS(=O)(=O)c2ccc(N)cc2	0.35
547-75-1	O=C(O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)(C3(CCC12(C)))	2.8
550-44-7	O=C1c2ccccc2(C(=O)N1C)	1.31
551-06-4	C(=Nc1cccc2ccccc12)=S	4.34
551-11-1	O=C(O)CCCC=CCC1C(O)CC(O)C1(C=CC(O)CCCCC)	4.39
551-27-9	O=C(O)C3N2C(=O)C(NC(=O)C(Oc1ccccc1)CC)C2SC3(C)(C)	2.65
552-16-9	O=C(O)c1ccccc1[N+](=O)[O-]	1.46
552-32-9	O=C(Nc1ccccc1[N+](=O)[O-])C	1
552-41-0	O=C(c1ccc(OC)cc1(O))C	1.98
552-58-9	O=C2c3c(O)cc(O)cc3(OC(c1ccc(O)c(O)c1)C2)	2.02
552-62-5	O=C2NC(=O)c1c(ncn1C)N2	-0.89
552-86-3	O=C(c1occc1)C(O)c2occc2	0.54
552-89-6	O=Cc1ccccc1[N+](=O)[O-]	1.74
553-03-7	O=C2Nc1ccccc1CC2	1.34
553-20-8	O=C(Nc1cc(ccc1(OCCC))[N+](=O)[O-])C	1.6
553-26-4	n1ccc(cc1)c2ccncc2	1.28
553-27-5	c1ccc(cc1)N(CCCl)CCCl	2.9
553-84-4	O=C(c1cocc1)CCC(C)C	2.76
553-90-2	O=C(OC)C(=O)OC	-0.17
553-97-9	O=C1C=CC(=O)C(=C1)C	0.72
554-00-7	Nc1ccc(cc1Cl)Cl	2.78
554-12-1	O=C(OC)CC	0.84
554-14-3	c1cc(C)sc1	2.33
554-57-4	O=C(N=C1N(N=C(S1)S(=O)(=O)N)C)C	0.13
554-61-0	C1=C(C)CCC2C1C2(C)(C)	4.44
554-84-7	O=[N+]([O-])c1cccc(O)c1	2
555-03-3	O=[N+]([O-])c1cccc(OC)c1	2.16
555-16-8	O=Cc1ccc(cc1)[N+](=O)[O-]	1.56
555-37-3	O=C(Nc1ccc(c(c1)Cl)Cl)N(C)CCCC	4.1
555-60-2	N#CC(C#N)=NNc1cccc(c1)Cl	3.38
556-08-1	O=C(O)c1ccc(cc1)NC(=O)C	1.31
556-24-1	O=C(OC)CC(C)C	1.82
556-33-2	O=C(O)CNC(=O)CNC(=O)CN	-2.68
556-50-3	O=C(O)CNC(=O)CN	-2.92
556-52-5	OCC1OC1	-0.95
556-61-6	C(=NC)=S	0.94
556-67-2	O1[Si](O[Si](O[Si](O[Si]1(C)C)(C)C)(C)C)(C)C	5.1
556-69-4	O([Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C	7.7
556-75-2	O=P(OCC)(C)SCCSCC	1.48
557-17-5	O(C)CCC	1.21
557-25-5	O=C(OCC(O)CO)CCC	-0.17
557-98-2	C=C(C)Cl	2
558-13-4	C(Br)(Br)(Br)Br	3.42
558-25-8	O=S(=O)(F)C	0.55
561-27-3	O=C(Oc5ccc4c1c5(OC2C(OC(=O)C)C=CC3C(N(C)CCC123)C4))C	1.58
561-86-4	O=C1NC(=O)C(C(=O)N1)(CC=C)CC(=C)Br	1.37
562-26-5	O=C(OCC)C3(c1ccccc1)(CCN(CCC(O)c2ccccc2)CC3)	4.04
562-74-3	OC1(CC=C(C)CC1)C(C)C	3.26
563-12-2	O(CC)P(OCC)(=S)SCSP(OCC)(OCC)=S	5.07
563-80-4	O=C(C)C(C)C	0.84
564-00-1	O1CC1C2OC2	-0.52
565-80-0	O=C(C(C)C)C(C)C	1.86
569-41-5	c2cc1cccc(c1c(c2)C)C	4.26
571-58-4	c1ccc2c(c1)c(ccc2C)C	4.37
571-60-8	Oc1ccc(O)c2ccccc12	1.9
573-56-8	O=[N+]([O-])c1cccc(c1(O))[N+](=O)[O-]	1.37
573-98-8	c1ccc2c(c1)ccc(c2C)C	4.31
574-66-3	ON=C(c1ccccc1)c2ccccc2	3.2
575-37-1	c2cc1ccc(cc1c(c2)C)C	4.44
575-38-2	Oc1ccc2cccc(O)c2(c1)	1.94
575-41-7	c1ccc2c(c1)cc(cc2C)C	4.42
576-24-9	Oc1cccc(c1Cl)Cl	2.84
576-26-1	Oc1c(cccc1C)C	2.36
577-19-5	O=[N+]([O-])c1ccccc1Br	2.52
577-56-0	O=C(O)c1ccccc1(C(=O)C)	0.81
577-59-3	O=C(c1ccccc1[N+](=O)[O-])C	1.28
578-06-3	n1c3ccccc3(cc2c1cccc2(N))	2.47
578-57-4	O(c1ccccc1Br)C	2.86
578-58-5	O(c1ccccc1C)C	2.74
578-66-5	n1cccc2cccc(N)c12	1.79
578-68-7	n1ccc(N)c2ccccc12	1.63
579-10-2	O=C(N(c1ccccc1)C)C	1.12
579-38-4	O=C(N(c1ccc(O)cc1)C)C(Cl)Cl	1.78
579-43-1	OC(c1ccccc1)C(O)c2ccccc2	1.91
579-45-3	O=C(c1ccccc1)N(N)c2ccccc2	2.3
579-58-8	O=C(N(c1ccc(O)cc1)C)C	0.61
579-74-8	O=C(c1ccccc1(OC))C	1.82
579-75-9	O=C(O)c1ccccc1(OC)	1.59
580-02-9	O=C(OC)c1ccccc1(OC(=O)C)	1.46
580-15-4	n1cccc2cc(N)ccc12	1.28
580-16-5	Oc1ccc2ncccc2(c1)	1.8
580-17-6	n1cc(N)cc2ccccc12	1.63
580-22-3	n1c(N)ccc2ccccc12	1.87
580-51-8	Oc1cccc(c1)c2ccccc2	3.23
581-08-8	O=C(Nc1ccccc1(OCC))C	1.49
581-28-2	n1c3ccccc3(cc2cc(N)ccc12)	2.62
581-29-3	n1c3ccccc3(cc2ccc(N)cc12)	2.77
581-40-8	c1ccc2cc(c(cc2(c1))C)C	4.4
581-42-0	c1cc(cc2ccc(cc12)C)C	4.31
581-43-1	Oc1ccc2cc(O)ccc2(c1)	1.9
581-47-5	n1ccc(cc1)c2ncccc2	1.58
581-50-0	n1cccc(c1)c2ncccc2	1.46
581-89-5	O=[N+]([O-])c1ccc2ccccc2(c1)	3.24
582-60-5	n1c[nH]c2cc(c(cc12)C)C	2.35
583-53-9	c1ccc(c(c1)Br)Br	3.64
584-79-2	O=C(OC1C(=C(C(=O)C1)CC=C)C)C2C(C=C(C)C)C2(C)(C)	4.78
585-07-9	O=C(OC(C)(C)C)C(=C)C	2.54
585-34-2	Oc1cccc(c1)C(C)(C)C	3.3
585-48-8	n1c(cccc1C(C)(C)C)C(C)(C)C	4.14
585-74-0	O=C(c1cccc(c1)C)C	2.15
585-76-2	O=C(O)c1cccc(c1)Br	2.87
586-11-8	O=[N+]([O-])c1cc(O)cc(c1)[N+](=O)[O-]	2.36
586-37-8	O=C(c1cccc(OC)c1)C	1.84
586-38-9	O=C(O)c1cccc(OC)c1	2.02
586-62-9	C1=C(C)CCC(=C(C)C)C1	4.47
586-76-5	O=C(O)c1ccc(cc1)Br	2.86
586-78-7	O=[N+]([O-])c1ccc(cc1)Br	2.55
586-84-5	O=[N+]([O-])c1oc(cc1)COC	0.89
586-89-0	O=C(O)c1ccc(cc1)C(=O)C	1.61
586-95-8	OCc1ccncc1	0.06
586-96-9	O=Nc1ccccc1	2.01
586-98-1	OCc1ncccc1	0.06
587-03-1	OCc1cccc(c1)C	1.6
587-34-8	O=C(Nc1cccc(c1)Cl)N(C)C	2
587-48-4	O=C(O)c1cccc(c1)NC(=O)C	1.32
587-64-4	O=C(O)COc1cc(cc(c1)Cl)Cl	2.84
587-65-5	O=C(Nc1ccccc1)CCl	1.63
588-16-9	O=C(Nc1cccc(OC)c1)C	1.3
588-22-7	O=C(O)COc1ccc(c(c1)Cl)Cl	2.81
588-32-9	O=C(O)COc1cccc(c1)Cl	2.03
588-46-5	O=C(NCc1ccccc1)C	0.95
589-08-2	c1ccc(cc1)CCNC	1.91
589-16-2	Nc1ccc(cc1)CC	1.96
589-21-9	NNc1ccc(cc1)Br	1.39
589-55-9	OC(CCC)CCC	2.22
589-62-8	OC(CCC)CCCC	2.68
589-82-2	OC(CC)CCCC	2.24
589-92-4	O=C1CCC(C)CC1	1.38
591-17-3	c1cc(cc(c1)Br)C	3.41
591-19-5	Nc1cccc(c1)Br	2.1
591-22-0	n1cc(cc(c1)C)C	1.78
591-27-5	Oc1cccc(N)c1	0.21
591-33-3	O=C(Nc1cccc(OCC)c1)C	1.82
591-35-5	Oc1cc(cc(c1)Cl)Cl	3.62
591-50-4	c1ccc(cc1)I	3.25
591-54-8	n1cnc(N)cc1	-0.25
591-78-6	O=C(C)CCCC	1.38
591-82-2	C(=NCC(C)C)=S	2.82
591-93-5	C=CCC=C	2.48
592-31-4	O=C(N)NCCCC	0.41
592-35-8	O=C(OCCCC)N	0.85
592-41-6	C=CCCCC	3.39
592-42-7	C=CCCC=C	2.87
592-48-3	C=CC=CCC	3.16
592-50-7	FCCCCC	2.33
592-57-4	C=1C=CCCC=1	2.47
592-76-7	C=CCCCCC	3.99
592-82-5	C(=NCCCC)=S	2.92
593-53-3	FC	0.51
593-60-2	C=CBr	1.57
593-70-4	FCCl	0.51
593-74-8	C[Hg]C	2.59
594-27-4	C[Sn](C)(C)C	3.48
594-36-5	CCC(C)(C)Cl	2.52
595-37-9	O=C(O)C(C)(C)CC	1.9
595-46-0	O=C(O)C(C(=O)O)(C)C	0.39
597-35-3	O=S(=O)(CC)CC	-0.59
598-03-8	O=S(=O)(CCC)CCC	0.39
598-16-3	C(=C(Br)Br)Br	3.2
598-38-9	OCC(Cl)Cl	0.37
598-50-5	O=C(N)NC	-1.4
598-52-7	NC(NC)=S	-0.69
598-55-0	O=C(OC)N	-0.66
598-72-1	O=C(O)C(C)Br	0.92
598-75-4	OC(C)C(C)C	1.28
598-92-5	O=[N+]([O-])C(C)Cl	1.1
598-98-1	O=C(OC)C(C)(C)C	1.83
598-99-2	O=C(OC)C(Cl)(Cl)Cl	2.03
599-71-3	O=S(=O)(NO)c1ccccc1	0.48
599-82-6	O=S(=O)(Nc1ncncc1)c2ccc(N)cc2	-0.24
599-88-2	O=S(=O)(Nc1ncc(cn1)C)c2ccc(N)cc2	0.34
600-24-8	O=[N+]([O-])C(C)CC	1.2
601-77-4	O=NN(C(C)C)C(C)C	1.38
601-84-3	O=C(O)c1c(cccc1Br)Br	3.58
601-89-8	O=[N+]([O-])c1c(O)cccc1(O)	1.56
602-38-0	O=[N+]([O-])c2cccc1cccc(c12)[N+](=O)[O-]	2.52
602-55-1	c1ccc(cc1)c3c4ccccc4(cc2ccccc23)	6.01
602-60-8	O=[N+]([O-])c2c3ccccc3(cc1ccccc12)	4.78
602-87-9	O=[N+]([O-])c3ccc2c1c3(cccc1CC2)	3.85
603-00-9	O=C2c1c(ncn1CC(O)C)N(C(=O)N2C)C	-0.77
603-11-2	O=C(O)c1cccc(c1(C(=O)O))[N+](=O)[O-]	0.75
603-34-9	c1ccc(cc1)N(c2ccccc2)c3ccccc3	5.74
603-35-0	c1ccc(cc1)P(c2ccccc2)c3ccccc3	5.69
603-76-9	c1ccc2c(c1)ccn2C	2.72
604-44-4	Oc1ccc(c2ccccc12)Cl	3.94
604-68-2	O=C(OCC1OC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))C	0.63
604-75-1	O=C1Nc3ccc(cc3(C(=NC1(O))c2ccccc2))Cl	2.24
605-45-8	O=C(OC(C)C)c1ccccc1(C(=O)OC(C)C)	2.83
605-71-0	O=[N+]([O-])c2cccc1c2(cccc1[N+](=O)[O-])	2.58
605-93-6	O=C1C=CC(=O)c2cc(ccc12)C	2.1
605-94-7	O=C1C=C(C(=O)C(OC)=C1(OC))C	0.8
606-20-2	O=[N+]([O-])c1cccc(c1C)[N+](=O)[O-]	2.1
606-22-4	O=[N+]([O-])c1cccc(c1(N))[N+](=O)[O-]	1.79
606-23-5	O=C1c2ccccc2(C(=O)C1)	0.61
606-25-7	O=S(=O)(N)c2cccc1ccccc12	1.55
606-26-8	O=C(NN)c1ccccc1[N+](=O)[O-]	-0.54
606-27-9	O=C(OC)c1ccccc1[N+](=O)[O-]	1.66
606-37-1	O=[N+]([O-])c2cc1ccccc1c(c2)[N+](=O)[O-]	2.83
606-38-2	O=C(Nc1c(cc(cc1C)C)[N+](=O)[O-])C	1.18
606-43-9	O=C2C=Cc1ccccc1N2C	1.45
606-45-1	O=C(OC)c1ccccc1(OC)	2.04
607-34-1	O=[N+]([O-])c2cccc1ncccc12	1.86
607-35-2	O=[N+]([O-])c2cccc1cccnc12	1.4
607-57-8	O=[N+]([O-])c2ccc3c1ccccc1Cc3(c2)	3.37
607-81-8	O=C(OCC)C(C(=O)OCC)Cc1ccccc1	2.76
607-90-9	O=C(OCCC)c1ccccc1(O)	3.8
607-99-8	O(c1c(cc(cc1Br)Br)Br)C	4.48
608-08-2	O=C(Oc1c[nH]c2ccccc12)C	2.01
608-31-1	Nc1c(cccc1Cl)Cl	2.76
608-33-3	Oc1c(cccc1Br)Br	3.36
608-43-5	Oc1ccc(O)c(c1C)C	1.36
608-93-5	c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	5.17
609-19-8	Oc1cc(c(c(c1)Cl)Cl)Cl	4.01
609-35-8	O=C(N)c1cocc1	0.09
609-38-1	O=C(N)c1occc1	-0.11
609-39-2	O=[N+]([O-])c1occc1	0.66
609-40-5	O=[N+]([O-])c1cccs1	1.55
609-66-5	O=C(N)c1ccccc1Cl	0.64
609-72-3	c1ccc(c(c1)N(C)C)C	2.85
609-99-4	O=C(O)c1cc(cc(c1(O))[N+](=O)[O-])[N+](=O)[O-]	1.71
610-02-6	O=C(O)c1ccc(O)c(O)c1(O)	1.05
610-15-1	O=C(N)c1ccccc1[N+](=O)[O-]	-0.12
610-39-9	O=[N+]([O-])c1ccc(cc1[N+](=O)[O-])C	2.08
610-40-2	O=[N+]([O-])c1ccc(cc1[N+](=O)[O-])Cl	2.18
610-49-1	Nc1cccc2cc3ccccc3(cc12)	3.69
610-69-5	O=C(Oc1ccccc1[N+](=O)[O-])C	1.55
610-96-8	O=C(OC)c1ccccc1Cl	2.38
610-97-9	O=C(OC)c1ccccc1I	2.74
610-99-1	O=C(c1ccccc1(O))CC	2.54
611-03-0	O=C(O)c1ccc(N)cc1(N)	-0.31
611-06-3	O=[N+]([O-])c1ccc(cc1Cl)Cl	3.07
611-09-6	O=C1Nc2ccc(cc2(C1(=O)))[N+](=O)[O-]	0.47
611-13-2	O=C(OC)c1occc1	1
611-20-1	N#Cc1ccccc1(O)	1.61
611-21-2	c1ccc(c(c1)NC)C	2.16
611-32-5	n1cccc2cccc(c12)C	2.6
611-33-6	n1cccc2cccc(c12)Cl	2.44
611-34-7	n1cccc2c1cccc2(N)	1.16
611-70-1	O=C(c1ccccc1)C(C)C	2.73
611-74-5	O=C(c1ccccc1)N(C)C	0.62
612-16-8	OCc1ccccc1(OC)	1.13
612-24-8	N#Cc1ccccc1[N+](=O)[O-]	1.02
612-25-9	O=[N+]([O-])c1ccccc1CO	1.24
612-28-2	O=[N+]([O-])c1ccccc1(NC)	2.18
612-45-3	O=C(Nc1ccc(cc1[N+](=O)[O-])C)C	1.49
612-57-7	n1cccc2cc(ccc12)Cl	2.73
612-58-8	n1cc(cc2ccccc12)C	2.53
612-60-2	n1cccc2ccc(cc12)C	2.47
612-62-4	n1c2ccccc2(ccc1Cl)	2.71
612-96-4	n1c3ccccc3(ccc1c2ccccc2)	3.9
612-98-6	O=NN(c1ccccc1)Cc2ccccc2	3.38
613-31-0	c1ccc3c(c1)Cc2ccccc2C3	4.25
613-33-2	c1cc(ccc1c2ccc(cc2)C)C	5.09
613-50-3	O=[N+]([O-])c1ccc2ncccc2(c1)	1.84
613-51-4	O=[N+]([O-])c1ccc2cccnc2(c1)	1.82
613-70-7	O=C(Oc1ccccc1(OC))C	1.38
613-93-4	O=C(NC)c1ccccc1	0.86
613-94-5	O=C(NN)c1ccccc1	0.19
614-17-5	O=C(NCC)c1ccccc1	1.28
614-18-6	O=C(OCC)c1cnccc1	1.32
614-19-7	O=C(O)CC(N)c1ccccc1	-1.4
614-30-2	c1ccc(cc1)N(C)Cc2ccccc2	4.22
614-61-9	O=C(O)COc1ccccc1Cl	1.86
614-76-6	O=C(Nc1ccccc1Br)C	1.34
614-80-2	O=C(Nc1ccccc1(O))C	0.72
614-96-0	c1cc2cc(ccc2([nH]1))C	2.68
614-99-3	O=C(OCC)c1occc1	1.52
615-15-6	n1c2ccccc2([nH]c1C)	1.43
615-22-5	n2c1ccccc1sc2SC	3.15
615-36-1	Nc1ccccc1Br	2.11
615-43-0	Nc1ccccc1I	2.32
615-58-7	Oc1ccc(cc1Br)Br	3.22
615-60-1	c1cc(c(cc1Cl)C)C	3.82
615-67-8	Oc1ccc(O)c(c1)Cl	1.4
615-74-7	Oc1cc(ccc1Cl)C	2.9
615-77-0	O=C1C=CN(C(=O)N1)C	-1.2
616-03-5	O=C1NC(=O)C(N1)C	-0.91
616-44-4	c1cscc1C	2.34
616-45-5	O=C1NCCC1	-0.85
616-47-7	n1ccn(c1)C	-0.06
616-68-2	O=C(Nc1c(cc(cc1C)C)C)CN(CC)CC	2.41
616-82-0	O=C(O)c1ccc(O)c(c1)[N+](=O)[O-]	1.85
617-31-2	O=C(O)C(O)CCC	0.45
617-89-0	o1cccc1CN	0.37
617-90-3	N#Cc1occc1	0.96
618-47-3	O=C(N)c1cccc(c1)C	1.18
618-48-4	O=C(N)c1cccc(c1)Cl	1.51
618-49-5	O=C(N)c1cccc(O)c1	0.39
618-51-9	O=C(O)c1cccc(c1)I	3.13
618-62-2	O=[N+]([O-])c1cc(cc(c1)Cl)Cl	3.09
618-80-4	O=[N+]([O-])c1cc(c(O)c(c1)Cl)Cl	2.94
618-87-1	O=[N+]([O-])c1cc(N)cc(c1)[N+](=O)[O-]	1.89
618-94-0	O=C(NN)c1cccc(c1)[N+](=O)[O-]	0.23
618-95-1	O=C(OC)c1cccc(c1)[N+](=O)[O-]	1.89
618-98-4	O=C(OCC)c1cccc(c1)[N+](=O)[O-]	2.35
619-01-2	OC1CC(C(=C)C)CCC1(C)	3.21
619-05-6	O=C(O)c1ccc(N)c(N)c1	0.13
619-17-0	O=C(O)c1ccc(cc1(N))[N+](=O)[O-]	1.91
619-24-9	N#Cc1cccc(c1)[N+](=O)[O-]	1.17
619-25-0	O=[N+]([O-])c1cccc(c1)CO	1.21
619-31-8	O=[N+]([O-])c1cccc(c1)N(C)C	2.16
619-42-1	O=C(OC)c1ccc(cc1)Br	2.95
619-45-4	O=C(OC)c1ccc(N)cc1	1.37
619-50-1	O=C(OC)c1ccc(cc1)[N+](=O)[O-]	1.89
619-55-6	O=C(N)c1ccc(cc1)C	1.18
619-56-7	O=C(N)c1ccc(cc1)Cl	1.55
619-57-8	O=C(N)c1ccc(O)cc1	0.33
619-58-9	O=C(O)c1ccc(cc1)I	3.02
619-64-7	O=C(O)c1ccc(cc1)CC	2.89
619-65-8	N#Cc1ccc(cc1)C(=O)O	1.56
619-66-9	O=Cc1ccc(cc1)C(=O)O	1.76
619-72-7	N#Cc1ccc(cc1)[N+](=O)[O-]	1.19
619-73-8	O=[N+]([O-])c1ccc(cc1)CO	1.26
619-76-1	O=C(N)c1ccc(cc1)C(C)C	2.14
619-80-7	O=C(N)c1ccc(cc1)[N+](=O)[O-]	0.82
619-84-1	O=C(O)c1ccc(cc1)N(C)C	1.28
619-86-3	O=C(O)c1ccc(OCC)cc1	2.39
619-90-9	O=C(OCc1ccc(cc1)[N+](=O)[O-])C	1.73
620-02-0	O=Cc1oc(cc1)C	0.67
620-08-6	n1ccc(OC)cc1	1
620-17-7	Oc1cccc(c1)CC	2.4
620-24-6	Oc1cccc(c1)CO	0.49
620-71-3	O=C(Nc1ccccc1)CC	1.61
620-79-1	O=C(OCC)C(C(=O)C)Cc1ccccc1	2.52
620-80-4	O=C(OCC)C(=Cc1ccccc1)C(=O)C	2.21
620-88-2	O=[N+]([O-])c2ccc(Oc1ccccc1)cc2	3.92
620-92-8	Oc1ccc(cc1)Cc2ccc(O)cc2	2.91
621-04-5	O=C(Nc1ccccc1)NCC	1.64
621-06-7	O=C(Nc1ccccc1)Cc2ccccc2	2.7
621-08-9	O=S(Cc1ccccc1)Cc2ccccc2	1.99
621-34-1	Oc1cccc(OCC)c1	1.98
621-36-3	O=C(O)Cc1cccc(c1)C	1.95
621-37-4	O=C(O)Cc1cccc(O)c1	0.85
621-38-5	O=C(Nc1cccc(c1)Br)C	2.31
621-42-1	O=C(Nc1cccc(O)c1)C	0.73
621-59-0	O=Cc1ccc(OC)c(O)c1	0.97
621-64-7	O=NN(CCC)CCC	1.36
621-65-8	O=[N+]([O-])OCC(O[N+](=O)[O-])CO	0.83
621-79-4	O=C(N)C=Cc1ccccc1	1.43
621-84-1	O=C(OCc1ccccc1)N	1.2
621-88-5	O=C(N)COc1ccccc1	0.76
622-29-7	N(=Cc1ccccc1)C	1.64
622-31-1	ON=Cc1ccccc1	1.8
622-37-7	[N-]=[N+]=Nc1ccccc1	2.59
622-38-8	c1ccc(cc1)SCC	3.2
622-44-6	N(c1ccccc1)=C(Cl)Cl	2.54
622-46-8	O=C(Oc1ccccc1)N	1.08
622-47-9	O=C(O)Cc1ccc(cc1)C	1.86
622-50-4	O=C(Nc1ccc(cc1)I)C	2.71
622-59-3	C(=Nc1ccc(cc1)C)=S	3.92
622-62-8	Oc1ccc(OCC)cc1	1.81
622-78-6	C(=NCc1ccccc1)=S	3.16
622-80-0	c1ccc(cc1)NCCC	2.45
622-83-3	N#CN=Nc1ccccc1	2.3
622-85-5	O(c1ccccc1)CCC	3.18
623-03-0	N#Cc1ccc(cc1)Cl	2.47
623-05-2	Oc1ccc(cc1)CO	0.25
623-08-5	c1cc(ccc1NC)C	2.15
623-12-1	O(c1ccc(cc1)Cl)C	2.78
623-15-4	O=C(C=Cc1occc1)C	1.35
623-26-7	N#Cc1ccc(C#N)cc1	0.93
623-30-3	O=CC=Cc1occc1	1.15
623-37-0	OC(CC)CCC	1.65
623-42-7	O=C(OC)CCC	1.29
623-59-6	O=C(NC(=O)C)NC	-0.7
623-87-0	O=[N+]([O-])OCC(O)CO[N+](=O)[O-]	0.71
624-24-8	O=C(OC)CCCC	1.96
624-38-4	c1cc(ccc1I)I	4.11
624-45-3	O=C(OC)CCC(=O)C	-0.13
624-48-6	O=C(OC)C=CC(=O)OC	0.48
624-73-7	C(CI)I	2.71
624-78-2	N(C)CC	0.15
624-84-0	O=CNN	-2.05
624-92-0	CSSC	1.77
625-28-5	N#CCC(C)C	1.07
625-33-2	O=C(C=CC)C	0.52
625-48-9	O=[N+]([O-])CCO	-0.42
625-52-5	O=C(N)NCC	-0.74
625-53-6	NC(NCC)=S	-0.21
625-74-1	O=[N+]([O-])CC(C)C	1.4
625-80-9	CC(C)SC(C)C	2.84
625-84-3	c1cc([nH]c1C)C	1.47
625-86-5	o1c(ccc1C)C	2.24
625-89-8	O=NN(CC(F)(F)F)CC(F)(F)F	2.15
626-01-7	Nc1cccc(c1)I	2.86
626-02-8	Oc1cccc(c1)I	2.93
626-16-4	c1cc(cc(c1)CCl)CCl	2.72
626-17-5	N#Cc1cccc(C#N)c1	0.8
626-39-1	c1c(cc(cc1Br)Br)Br	4.51
626-43-7	Nc1cc(cc(c1)Cl)Cl	2.9
626-55-1	n1cccc(c1)Br	1.6
626-60-8	n1cccc(c1)Cl	1.33
626-61-9	n1ccc(cc1)Cl	1.28
626-67-5	N1(C)CCCCC1	1.3
626-93-7	OC(C)CCCC	1.76
627-05-4	O=[N+]([O-])CCCC	1.47
627-12-3	O=C(OCCC)N	0.36
627-19-0	C#CCCC	1.98
627-30-5	OCCCCl	0.5
627-31-6	C(CI)CI	3.02
627-35-0	N(C)CCC	0.84
627-93-0	O=C(OC)CCCCC(=O)OC	1.03
628-05-7	O=[N+]([O-])CCCCC	2.01
628-20-6	N#CCCCCl	0.56
628-28-4	O(C)CCCC	1.66
628-34-2	O(CC)CCCl	0.98
628-41-1	C1=CCC=CC1	2.3
628-55-7	O(CC(C)C)CC(C)C	2.78
628-73-9	N#CCCCCC	1.66
628-81-9	O(CC)CCCC	2.03
628-83-1	N#CSCCCC	2.03
628-96-6	O=[N+]([O-])OCCO[N+](=O)[O-]	1.16
629-04-9	CCCCCCCBr	4.36
629-06-1	CCCCCCCCl	4.15
629-20-9	C1=CC=CC=CC=C1	3.08
629-40-3	N#CCCCCCCC#N	0.59
629-59-4	CCCCCCCCCCCCCC	7.2
630-18-2	N#CC(C)(C)C	1.08
630-60-4	O=C1OCC(=C1)C3CCC4(O)(C5CCC6(O)(CC(OC2OC(C)C(O)C(O)C2(O))CC(O)C6(CO)(C5(C(O)CC34(C)))))	-2
630-64-8	O=CC56(CCC(OC1OC(C)C(O)C(O)C1)CC6(O)(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))	0.3
631-07-2	O=C1NC(=O)C(N1)(c2ccccc2)CC	1.53
632-22-4	O=C(N(C)C)N(C)C	0.19
632-46-2	O=C(O)c1c(cccc1C)C	2.21
633-72-7	OCc1cnc(c(OC)c1CO)C	-0.1
634-36-6	O(c1cccc(OC)c1(OC))C	1.53
634-67-3	Nc1ccc(c(c1Cl)Cl)Cl	3.33
634-83-3	Nc1cc(c(c(c1Cl)Cl)Cl)Cl	4.27
634-90-2	c1c(cc(c(c1Cl)Cl)Cl)Cl	4.56
634-91-3	Nc1cc(c(c(c1)Cl)Cl)Cl	3.32
634-93-5	Nc1c(cc(cc1Cl)Cl)Cl	3.52
634-97-9	O=C(O)c1ccc[nH]1	0.85
635-21-2	O=C(O)c1cc(ccc1(N))Cl	1.57
635-22-3	O=[N+]([O-])c1cc(N)ccc1Cl	2.06
635-46-1	c1ccc2c(c1)NCCC2	2.29
635-90-5	c1ccc(cc1)n2cccc2	3.08
636-04-4	c1ccc(cc1)NC(c2ccccc2)=S	3.03
636-28-2	c1c(c(cc(c1Br)Br)Br)Br	5.13
636-72-6	OCc1cccs1	0.87
636-97-5	O=C(NN)c1ccc(cc1)[N+](=O)[O-]	0.35
637-59-2	c1ccc(cc1)CCCBr	3.72
637-61-6	O=C1C=CC(=NCl)C=C1	1.26
638-20-0	O=C(NC(=O)C)NC(=O)C	-0.68
638-42-6	O=C(OCCCCC)N	1.35
639-58-7	c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)Cl	4.19
640-15-3	O(C)P(OC)(=S)SCCSCC	3.15
640-61-9	O=S(=O)(NC)c1ccc(cc1)C	1.28
640-79-9	O=C(O)CNC(=O)CCC(C)C2CCC3C4C(O)CC1CC(O)CCC1(C)C4(CCC23(C))	2.07
643-15-2	C1=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	3.72
644-08-6	c1ccc(cc1)c2ccc(cc2)C	4.63
644-35-9	Oc1ccccc1CCC	2.93
644-46-2	O=C1C=C(OC=C1(O))C	-0.59
645-05-6	n1c(nc(nc1N(C)C)N(C)C)N(C)C	2.73
645-56-7	Oc1ccc(cc1)CCC	3.2
645-59-0	N#CCCc1ccccc1	1.72
646-06-0	O1COCC1	-0.37
646-14-0	O=[N+]([O-])CCCCCC	2.7
646-20-8	N#CCCCCCC#N	0.05
651-06-9	O=S(=O)(Nc1ncc(OC)cn1)c2ccc(N)cc2	0.41
651-85-4	O=S(=O)(c1c(F)c(F)c(F)c(F)c1(F))C	1.11
652-32-4	O=C(O)c1c(F)c(F)c(c(F)c1(F))C	3.15
653-22-5	O=C(Nc1c(F)c(F)c(F)c(F)c1(F))C	1.7
654-13-7	O=C(O)CC(n2nnc1ccccc12)C	-0.2
654-42-2	Oc1cc(c(O)c(c1)C)C	1
656-31-5	O=C(N)Nc1ccccc1(F)	0.88
656-49-5	FC(F)(F)c1nc2cc(ccc2([nH]1))Cl	3.39
658-43-5	O=S(=O)(Nc1ccccc1)C(F)F	1.95
660-88-8	O=C(O)CCCCN	-2.63
664-95-9	O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C	2.9
670-96-2	n1cc[nH]c1c2ccccc2	1.88
671-03-4	O=C(Oc1cc(c(cc1C)C)C)NC	2.52
671-16-9	O=C(NC(C)C)c1ccc(cc1)CNNC	0.08
672-66-2	c1ccc(cc1)P(C)C	2.57
672-76-4	O=C1C=CC(=CC=C1(O))C(C)C	1.89
673-31-4	O=C(OCCCc1ccccc1)N	1.96
675-20-7	O=C1NCCCC1	-0.46
675-21-8	Fc1cncnc1	-0.03
678-26-2	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	4.4
680-31-9	O=P(N(C)C)(N(C)C)N(C)C	0.28
681-57-2	O=C(O)CCC(C(=O)O)(C)C	0.67
683-18-1	CCCC[Sn](CCCC)(Cl)Cl	1.56
683-57-8	O=C(N)CBr	-0.52
683-72-7	O=C(N)C(Cl)Cl	0.19
684-93-5	O=NN(C(=O)N)C	-0.03
685-91-6	O=C(N(CC)CC)C	0.34
687-48-9	O=C(OCC)N(C)C	0.89
688-04-0	O=C(O)C(CC(=O)C)CCC	1.31
688-84-6	O=C(OCC(CC)CCCC)C(=C)C	4.54
692-94-4	O=C(OC)C=CC#CC#CC#CC	3.14
693-02-7	C#CCCCC	2.73
693-21-0	O=[N+]([O-])OCCOCCO[N+](=O)[O-]	0.98
693-54-9	O=C(C)CCCCCCCC	3.73
693-95-8	n1cscc1C	0.97
693-98-1	n1cc[nH]c1C	0.24
694-85-9	O=C1C=CC=CN1C	-0.23
695-05-6	O=C1C2CC3C1C3(C2)	0.81
695-19-2	O=C1C=CN(C=C1)C	-1.22
695-34-1	n1ccc(cc1N)C	0.56
695-94-3	OCCN1C(=NCC1)C	0.04
695-99-8	O=C1C=CC(=O)C(=C1)Cl	0.84
696-44-6	c1cc(cc(c1)C)NC	2.19
698-63-5	O=Cc1oc(cc1)[N+](=O)[O-]	1.01
698-67-9	O=C(N)c1ccc(cc1)Br	1.76
698-87-3	OC(C)Cc1ccccc1	1.97
699-18-3	O=[N+]([O-])C=Cc1occc1	1.56
700-00-5	n2cnc1c(ncn1C)c2N	-0.03
700-12-9	c1c(c(c(c(c1C)C)C)C)C	4.56
700-13-0	Oc1cc(c(O)c(c1C)C)C	1.69
700-38-9	O=[N+]([O-])c1ccc(cc1(O))C	2.31
701-34-8	O=S(=O)(N)c1ccc(cc1)Br	1.36
701-56-4	O(c1ccc(cc1)N(C)C)C	1.42
701-65-5	c1ccc(cc1)SC(Cl)(Cl)Cl	3.78
701-83-7	O=C(Oc1cccc(F)c1)C	1.74
704-73-4	O=C(Oc1ccccc1(F))NC	1.25
705-19-1	O=[N+]([O-])c1nc(n(c1)CCO)C	-0.59
705-48-6	O=C(Oc1cccc(F)c1)NC	1.48
705-60-2	O=[N+]([O-])C(=Cc1ccccc1)C	2.52
705-62-4	c1ccc(cc1)NC(N(C)C)=S	1.04
705-70-4	O=C(Oc1ccc(F)cc1)NC	1.28
706-07-0	O=[N+]([O-])C=Cc1ccc(cc1)Cl	2.44
706-14-9	O=C1OC(CC1)CCCCCC	2.72
707-07-3	O(C)C(OC)(OC)c1ccccc1	2.27
707-98-2	n2cnc1c(ncn1CCC)c2N	0.74
709-79-5	N#CC(=Cc1ccccc1)C(=O)N	1.56
709-98-8	O=C(Nc1ccc(c(c1)Cl)Cl)CC	3.07
710-15-6	O=S(=O)(N)NCCc1ccccc1	0.81
710-25-8	O=C(N)C=Cc1oc(cc1)[N+](=O)[O-]	0.65
711-82-0	OCCOc1cccc2ccccc12	2.5
713-05-3	O=C(NC)CCC(=O)c1cnccc1	-0.69
716-79-0	n1c3ccccc3([nH]c1c2ccccc2)	3.24
718-64-9	FC(F)(F)C(O)(c1ccccc1)C(F)(F)F	3.41
719-22-2	O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C	4.42
721-50-6	O=C(Nc1ccccc1C)C(NCCC)C	2.11
723-46-6	O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2	0.89
723-62-6	O=C(O)c2c3ccccc3(cc1ccccc12)	3.85
726-78-3	O=C1NC(=O)C(C(=O)N1C)(C2=CCCCC2)CC	2.25
728-88-1	O=C(c1ccc(cc1)C)C(C)CN2CCCCC2	3.65
731-27-1	O=S(=O)(N(c1ccc(cc1)C)SC(F)(Cl)Cl)N(C)C	3.9
732-11-6	O=C1c2ccccc2(C(=O)N1CSP(OC)(OC)=S)	2.78
732-26-3	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	6.06
738-70-5	n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(OC)c2	0.91
741-58-2	O=S(=O)(NCCSP(OC(C)C)(OC(C)C)=S)c1ccccc1	4.2
742-20-1	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CC3CCCC3	1.27
745-65-3	O=C(O)CCCCCCC1C(=O)CC(O)C1(C=CC(O)CCCCC)	3.2
746-53-2	O=C3c1cc(cc(c1c2c3(cc(cc2[N+](=O)[O-])[N+](=O)[O-]))[N+](=O)[O-])[N+](=O)[O-]	2.4
749-02-0	O=C2NCN(c1ccccc1)C24(CCN(CCCC(=O)c3ccc(F)cc3)CC4)	3.03
753-90-2	FC(F)(F)CN	0.24
756-79-6	O=P(OC)(OC)C	-0.61
758-96-3	O=C(N(C)C)CC	-0.11
759-73-9	O=NN(C(=O)N)CC	0.23
759-94-4	O=C(N(CCC)CCC)SCC	3.21
760-60-1	O=NN(C(=O)N)CC(C)C	1.04
764-13-6	C(C=C(C)C)=C(C)C	3.5
764-42-1	N#CC=CC#N	-0.25
765-30-0	NC1CC1	0.07
765-43-5	O=C(C)C1CC1	0.49
766-09-6	N1(CC)CCCCC1	1.75
766-77-8	c1ccc(cc1)[Si](C)C	3.99
767-00-0	N#Cc1ccc(O)cc1	1.6
768-03-6	O=C(C=C)c1ccccc1	1.88
768-32-1	c1ccc(cc1)[Si](C)(C)C	4.72
768-59-2	OCc1ccc(cc1)CC	2.27
768-66-1	N1C(C)(C)CCCC1(C)C	2.15
768-94-5	NC23(CC1CC(CC(C1)C2)C3)	2.44
768-95-6	OC23(CC1CC(CC(C1)C2)C3)	2.14
769-92-6	Nc1ccc(cc1)C(C)(C)C	2.7
770-09-2	c1ccc(cc1)C[Si](C)(C)C	4.13
770-19-4	O=C(N)Nc1cccc(F)c1	1.29
771-39-1	O=C1N=C(Oc2ccccc12)N	0.27
771-50-6	O=C(O)c2c[nH]c1ccccc12	1.99
771-61-9	Fc1c(F)c(F)c(O)c(F)c1(F)	3.23
771-97-1	Nc1cc2ccccc2(cc1(N))	1.54
771-99-3	c1ccc(cc1)C2CCNCC2	2.39
774-40-3	O=C(OCC)C(O)c1ccccc1	1.53
776-35-2	c1ccc3c(c1)c2ccccc2CC3	4.52
776-75-0	O=C(c1ccccc1)N2CCCCC2	2.2
777-59-3	O=NN(C(=O)Nc1ccc(F)cc1)C	1.88
779-02-2	c1ccc3c(c1)cc2ccccc2c3C	5.07
780-11-0	O=C(Oc1cccc(c1)C(C)(C)C)NC	2.93
780-59-6	O=C1NC(=O)C(C(=O)N1C)(CC=C)CC=C	1.55
780-69-8	O(CC)[Si](OCC)(OCC)c1ccccc1	2.99
781-43-1	c1ccc3c(c1)c(c2ccccc2c3C)C	5.69
786-19-6	O(CC)P(OCC)(=S)SCSc1ccc(cc1)Cl	5.33
790-53-4	O=C(OCC)C(=Cc1ccc(F)cc1)C(=O)OCC	3.1
791-28-6	O=P(c1ccccc1)(c2ccccc2)c3ccccc3	2.83
815-24-7	O=C(C(C)(C)C)C(C)(C)C	3
816-57-9	O=NN(C(=O)N)CCC	0.3
817-99-2	[N-]=[N+]=CC(=O)NCC(=O)N	-1.26
818-61-1	O=C(OCCO)C=C	-0.21
819-06-7	FC(F)(F)CN(C)C	1.06
821-10-3	C(#CCCl)CCl	2.01
821-55-6	O=C(C)CCCCCCC	3.14
822-36-6	n1c[nH]cc1C	0.23
822-84-4	O=[N+]([O-])c1ccsc1	1.55
822-86-6	C1CCC(C(C1)Cl)Cl	3.2
823-09-6	n1cccnc1SC	1.01
824-46-4	Oc1ccc(O)c(OC)c1	0.47
824-75-9	O=C(N)c1ccc(F)cc1	0.91
825-44-5	O=S2(=O)(C=Cc1ccccc12)	0.88
825-56-9	n1nc(oc1)c2ccccc2	1.31
825-86-5	O=S(=O)(N)c1ccc(cc1)I	1.59
826-81-3	Oc1cccc2ccc(nc12)C	2.33
827-42-9	O=C2C=C(c1ccccc1)SS2	3.01
829-26-5	c1cc(cc2cc(c(cc12)C)C)C	4.73
830-03-5	O=C(Oc1ccc(cc1)[N+](=O)[O-])C	1.5
830-07-9	O=[N+]([O-])C=Cc1oc(cc1)[N+](=O)[O-]	1.3
830-09-1	O=C(O)C=Cc1ccc(OC)cc1	2.68
830-13-7	O=C1CCCCCCCCCCC1	4.1
830-81-9	O=C(Oc1cccc2ccccc12)C	2.78
830-96-6	O=C(O)CCc2c[nH]c1ccccc12	1.75
831-61-8	O=C(OCC)c1cc(O)c(O)c(O)c1	1.3
831-71-0	O=[N+]([O-])c1oc(C=NNC(N)=S)cc1	1.64
831-82-3	Oc2ccc(Oc1ccccc1)cc2	3.35
832-69-9	c1ccc3c(c1)ccc2c3(cccc2C)	5.08
832-71-3	c1ccc3c(c1)ccc2ccc(cc23)C	5.15
833-50-1	n1c(oc2ccccc12)c3ccccc3	3.67
834-12-8	n1c(nc(nc1NC(C)C)SC)NCC	2.98
834-91-3	O=C1NC(=O)C(=C(N1)C)N(CCF)CCCl	0.85
836-30-6	O=[N+]([O-])c1ccc(cc1)Nc2ccccc2	3.74
838-89-1	O=C(Nc1cccc(c1)C(F)(F)F)N(OC)C	2.64
841-06-5	n1c(nc(nc1NC(C)C)SC)NCCCOC	2.82
842-00-2	O=S(=O)(N)c2ccc(c1ccccc12)S(=O)(=O)CC	1.24
846-49-1	O=C1Nc3ccc(cc3(C(=NC1(O))c2ccccc2Cl))Cl	2.39
846-53-7	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2SC))Cl	2.99
847-25-6	O=C(NC(CO)C(O)c1ccc(cc1)S(=O)(=O)C)C(Cl)Cl	-0.27
857-62-5	Fc1ccc(cc1)C(O)CCCN3CCN(c2ccccc2(OC))CC3	3.4
862-26-0	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)O)Cc2ccc(O)cc2)C(C)C	2.43
865-21-4	O=C(OC2C(O)(C(=O)OC)C5N(c1cc(OC)c(cc1C45(CCN3CC=CC2(CC)C34))C9(C(=O)OC)(c7[nH]c6ccccc6c7CCN8CC(CC(O)(C8)CC)C9))C)C	3.7
865-24-7	O=C(OC2C(O)(C(=O)OC)C5N(c1cc(OC)c(cc1C45(CCN3CC=CC2(CC)C34))C9(C(=O)OC)(c7[nH]c6ccccc6c7CCN8CC(CC(O)(C8)CC)C9))C)CN(C)C	4.02
865-52-1	C[Ge](C)(C)C	3.31
868-77-9	O=C(OCCO)C(=C)C	0.47
869-01-2	O=NN(C(=O)N)CCCC	1.04
869-29-4	O=C(OC(OC(=O)C)C=C)C	0.78
872-05-9	C=CCCCCCCCC	5.7
872-31-1	c1cscc1Br	2.62
872-50-4	O=C1N(C)CCC1	-0.38
872-55-9	c1cc(CC)sc1	2.87
872-85-5	O=Cc1ccncc1	0.43
873-49-4	c1ccc(cc1)C2CC2	3.27
873-62-1	N#Cc1cccc(O)c1	1.7
873-63-2	OCc1cccc(c1)Cl	1.94
873-76-7	OCc1ccc(cc1)Cl	1.96
874-14-6	O=C1C=CN(C(=O)N1C)C	-0.54
874-41-9	c1cc(c(cc1C)C)CC	4.47
874-84-0	O=[N+]([O-])C=Cc1cccs1	1.96
874-90-8	N#Cc1ccc(OC)cc1	1.7
876-98-2	O=C(Oc1c(cccc1C)C)C	2.32
877-11-2	c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)C	5.62
877-22-5	O=C(O)c1cccc(OC)c1(O)	1.94
877-95-2	O=C(NCCc1ccccc1)C	1.19
879-39-0	O=[N+]([O-])c1cc(c(c(c1Cl)Cl)Cl)Cl	3.93
881-07-2	O=[N+]([O-])c2cccc1ccc(nc12)C	1.99
881-51-6	O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)C	1.78
882-06-4	O=C(O)C=Cc1ccc(cc1)[N+](=O)[O-]	2.12
882-09-7	O=C(O)C(Oc1ccc(cc1)Cl)(C)C	2.57
882-14-4	O=C(Nc1ccc(c(c1)Cl)Cl)C(C)C	3.72
882-26-8	O=[N+]([O-])C=Cc1cccc(c1)[N+](=O)[O-]	1.82
882-33-7	c1ccc(cc1)SSc2ccccc2	4.41
883-93-2	n2c1ccccc1sc2c3ccccc3	4.26
885-82-5	O=[N+]([O-])c1cc(ccc1(O))c2ccccc2	3.71
886-50-0	n1c(nc(nc1NC(C)(C)C)SC)NCC	3.74
886-59-9	O=C(Nc1ccccc1)NC2CCCCC2	2.77
890-67-5	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C	0.08
891-60-1	O=C(NCCN(CC)CC)c1ccc(N)c(c1)Cl	1.7
919-86-8	O=P(OC)(OC)SCCSCC	1.02
920-66-1	FC(F)(F)C(O)C(F)(F)F	1.66
923-26-2	O=C(OCC(O)C)C(=C)C	0.97
923-99-9	O(CCC)P(OCCC)OCCC	2.26
924-16-3	O=NN(CCCC)CCCC	2.63
924-46-9	O=NN(C)CCC	0.56
925-15-5	O=C(OCCC)CCC(=O)OCCC	2.16
925-57-5	O=C(OC)CCCO	-0.06
925-76-8	O=C(C=C)NCCN(C)C	-0.25
928-51-8	OCCCCCl	0.85
929-17-9	O=C(O)CCCCCCN	-3.03
929-77-1	O=C(OC)CCCCCCCCCCCCCCCCCCCCC	10.2
930-36-9	n1cccn1C	0.23
930-55-2	O=NN1CCCC1	-0.19
930-68-7	O=C1C=CCCC1	0.61
931-63-5	n1cccnc1OC	0.23
932-17-2	O=C(N1C(=O)CCC1)C	-0.05
932-83-2	O=NN1CCCCCC1	0.92
933-67-5	c2cc1cc[nH]c1c(c2)C	2.56
933-78-8	Oc1cc(cc(c1Cl)Cl)Cl	3.84
933-87-9	O=[N+]([O-])c1ncn(c1Br)C	0.36
933-90-4	O=C(N)c1ncccc1(O)	0.65
933-98-2	c1cc(c(c(c1)CC)C)C	4.34
934-32-7	n1c(N)[nH]c2ccccc12	0.91
934-74-7	c1c(cc(cc1C)CC)C	4.55
934-80-5	c1cc(c(cc1CC)C)C	4.5
935-30-8	O=C1NCCCCCCC1	0.67
935-92-2	O=C1C=C(C(=O)C(=C1C)C)C	1.82
935-95-5	Oc1c(c(cc(c1Cl)Cl)Cl)Cl	3.88
936-02-7	O=C(NN)c1ccccc1(O)	0.6
936-98-1	OCC2CC2(c1ccccc1)	1.95
937-05-3	OC1CCC(CC1)C(C)(C)C	3.06
937-40-6	O=NN(C)Cc1ccccc1	1.55
938-16-9	O=C(c1ccccc1)C(C)(C)C	3
938-22-7	O(c1c(cc(c(c1Cl)Cl)Cl)Cl)C	4.75
938-33-0	n1cccc2cccc(OC)c12	1.84
938-56-7	OCCn2nnc1ccccc12	0.5
938-86-3	O(c1cc(c(c(c1Cl)Cl)Cl)Cl)C	4.51
938-91-0	O=C(NC)N(c1ccccc1)C	1.02
939-23-1	n1ccc(cc1)c2ccccc2	2.59
939-27-5	c1ccc2cc(ccc2(c1))CC	4.38
939-48-0	O=C(OC(C)C)c1ccccc1	3.18
940-36-3	O=C(OC)Nc1ccc(cc1)Cl	2.55
940-43-2	O=C(NC)CCc1ccccc1	1.17
940-64-7	O=C(O)COc1ccc(cc1)C	1.86
941-69-5	O=C1C=CC(=O)N1c2ccccc2	1.09
942-24-5	O=C(OC)c2c[nH]c1ccccc12	2.57
942-79-0	N#Cc1ccccc1(OC(=O)NC)	0.86
943-49-7	N#Cc1cccc(OC(=O)NC)c1	0.97
943-88-4	O=C(C=Cc1ccc(OC)cc1)C	2.25
944-21-8	O=P(OCC)(CC)Sc1ccccc1	2.11
944-22-9	O(CC)P(CC)(=S)Sc1ccccc1	3.94
944-61-6	O(c1c(OC)c(c(c(c1Cl)Cl)Cl)Cl)C	4.86
945-51-7	O=S(c1ccccc1)c2ccccc2	2.06
946-76-9	N#CC(C#N)=NNc1ccc(cc1)Cl	3.39
946-80-5	O(c1ccccc1)Cc2ccccc2	3.79
947-04-6	O=C1NCCCCCCCCCCC1	2.92
947-73-9	Nc2cc1ccccc1c3ccccc23	3.56
947-84-2	O=C(O)c2ccccc2(c1ccccc1)	2.89
949-67-7	O=C(OCC)C(N)Cc1ccc(O)cc1	0.72
950-10-7	O=P(N=C1SCC(C)S1)(OCC)OCC	1.04
950-35-6	O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1	1.33
950-37-8	O=C1N(N=C(OC)S1)CSP(OC)(OC)=S	2.2
951-78-0	O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2	-1.51
952-12-5	n1cccc2nc([nH]c12)c3ccc(cc3)C	3.02
952-13-6	n1cccc2nc([nH]c12)c3ccc(cc3)Cl	2.95
952-14-7	Fc1ccc(cc1)c2nc3ncccc3([nH]2)	2.52
953-17-3	O(C)P(OC)(=S)SCSc1ccc(cc1)Cl	4.82
959-98-8	O=S1OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl	3.83
961-11-5	O=P(OC(=CCl)c1cc(c(cc1Cl)Cl)Cl)(OC)OC	3.53
961-22-8	O=C1c2ccccc2(N=NN1CSP(=O)(OC)OC)	0.78
962-58-3	O=P(Oc1nc(nc(c1)C)C(C)C)(OCC)OCC	2.07
962-89-0	c1ccc(cc1)[Sn](c2ccccc2)(c3ccccc3)Br	4.5
968-81-0	O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)C(=O)C	2.44
969-99-3	O=S3c1ccccc1N(c2cc(ccc23)Cl)CCCN(C)C	2.32
976-71-6	O=C1OC4(CC1)(CCC3C5C=CC2=CC(=O)CCC2(C)C5(CCC34(C)))	2.68
982-24-1	OCCN4CCN(CCC=C2c1ccccc1Sc3ccc(cc23)Cl)CC4	4.18
987-24-6	O=C(OCC(=O)C3(O)(C(C)CC2C4CCC1=CC(=O)C=CC1(C)C4(F)(C(O)CC23(C))))C	2.77
992-62-1	O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(NC)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C	2.21
997-95-5	O=NN(CC(C)C)CC(C)C	2.34
999-10-0	O=C(OCC)CCCO	0.43
999-29-1	[N-]=[N+]=CC(=O)NCC(=O)OCC	-0.08
999-61-1	O=C(OCC(O)C)C=C	0.35
1000-36-8	O=P(OCCCCC)(OCCCCC)C	3.74
1000-49-3	CCCC[Si](C)(C)C	4.2
1001-52-1	CCCC[Si](C)C	3.57
1002-53-5	CCCC[Sn]CCCC	1.49
1002-57-9	O=C(O)CCCCCCCN	-2.55
1003-09-4	c1cc(Br)sc1	2.75
1003-29-8	O=Cc1ccc[nH]1	0.64
1003-31-2	N#Cc1cccs1	1.27
1004-36-0	O=C1C=C(OC(=C1)C)C	0.1
1006-59-3	Oc1c(cccc1CC)CC	3.03
1006-94-6	O(c1ccc2[nH]ccc2(c1))C	2.06
1007-28-9	n1c(nc(nc1NCC)Cl)N	1.15
1007-36-9	O=C(Nc1ccccc1)NC	1.12
1008-89-5	n1ccccc1c2ccccc2	2.63
1009-17-2	O=C(NCCN)c1ccccc1	0.06
1009-61-6	O=C(c1ccc(cc1)C(=O)C)C	1.34
1010-60-2	O=C1C=C(C(=O)c2ccccc12)Cl	2.29
1011-54-7	O=C(O)C=Cc1ccccc1(OC)	2.18
1013-51-0	O=C(OC)Cn1c(ncc1[N+](=O)[O-])C	0.17
1014-69-3	n1c(nc(nc1NC(C)C)SC)NC	2.38
1014-70-6	n1c(nc(nc1NCC)SC)NCC	2.8
1016-47-3	O=C(NCCc2c[nH]c1ccccc12)C	1.41
1017-24-9	O=C(c1ccncc1)Cc2ccccc2	1.35
1022-45-3	O=C1N=C(Nc2ccccc12)c3ccccc3	2.53
1022-66-8	O=C3Nc1ccccc1CC3(c2ccccc2)	2.93
1024-57-3	O1C2C1C(C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)Cl	4.98
1031-07-8	O=S1(=O)(OCC2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)	3.66
1034-01-1	O=C(OCCCCCCCC)c1cc(O)c(O)c(O)c1	3.66
1068-57-1	O=C(NN)C	-1.58
1071-83-6	O=C(O)CNCP(=O)(O)O	-4
1072-83-9	O=C(c1ccc[nH]1)C	0.93
1073-72-9	Oc1ccc(cc1)SC	1.78
1074-17-5	c1ccc(c(c1)C)CCC	4.5
1074-43-7	c1cc(cc(c1)CCC)C	4.67
1074-55-1	c1cc(ccc1C)CCC	4.6
1075-49-6	O=C(O)c1ccc(C=C)cc1	2.18
1076-22-8	O=C1NC(=O)N(c2[nH]cnc12)C	-0.5
1077-05-0	O(c1ccccc1)P2OCCO2	1.42
1077-16-3	c1ccc(cc1)CCCCCC	5.52
1078-71-3	c1ccc(cc1)CCCCCCC	5.37
1080-06-4	O=C(OC)C(N)Cc1ccc(O)cc1	0.29
1081-15-8	O=[N+]([O-])c1ccc(NN=C)c(c1)[N+](=O)[O-]	2.33
1081-34-1	c3cc(c2ccc(c1cccs1)s2)sc3	5.57
1081-77-2	c1ccc(cc1)CCCCCCCCC	7.11
1082-23-1	O(c1ccc(c(OC)c1(OC))CC(N)C)C	1.51
1082-88-8	O(c1cc(cc(OC)c1(OC))CC(N)C)C	1.21
1083-09-6	O(c1cc(OC)c(cc1(OC))CC(N)C)C	1.74
1083-27-8	O=C(OCCCCCC)c1ccc(O)cc1	4.35
1083-41-6	O=C(OCCCC)c1cc(O)c(O)c(O)c1	2.41
1083-48-3	O=[N+]([O-])c1ccc(cc1)Cc2ccncc2	2.88
1083-59-6	O=[N+]([O-])c2oc(C=Cc1ncccn1)cc2	1.34
1085-12-7	O=C(OCCCCCCC)c1ccc(O)cc1	4.83
1085-98-9	O=S(=O)(N(c1ccccc1)SC(F)(Cl)Cl)N(C)C	3.7
1087-26-9	O=C(OCCCCCC)c1cc(O)c(O)c(O)c1	3.17
1088-11-5	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))Cl	2.93
1090-16-0	O=C2c3ccccc3(C(=O)C(=C2(Nc1ccccc1))Cl)	4.22
1113-02-6	O=C(NC)CSP(=O)(OC)OC	-0.75
1114-71-2	O=C(N(CC)CCCC)SCCC	3.83
1116-82-1	N#CCCN(N=O)CCC#N	0.08
1118-46-3	CCCC[Sn](Cl)(Cl)Cl	0.41
1118-68-9	O=C(O)CN(C)C	-2.91
1119-40-0	O=C(OC)CCCC(=O)OC	0.62
1120-28-1	O=C(OC)CCCCCCCCCCCCCCCCCCC	9.3
1120-34-9	O=C(OC)CCCCCCCCCCCC=CCCCCCCCC	9.32
1120-87-2	n1ccc(cc1)Br	1.54
1120-88-3	n1ncc(cc1)C	-0.32
1120-90-7	n1cccc(c1)I	1.8
1120-95-2	n1nc(ccc1)Cl	0.1
1121-07-9	O=C1N(C(=O)CC1)C	-0.95
1121-60-4	O=Cc1ncccc1	0.44
1122-54-9	O=C(c1ccncc1)C	0.48
1122-61-8	O=[N+]([O-])c1ccncc1	0.33
1122-62-9	O=C(c1ncccc1)C	0.85
1122-81-2	n1ccc(cc1)CCC	2.1
1123-54-2	n1nc2c(ncnc2([nH]1))N	-0.96
1124-11-4	n1c(c(nc(c1C)C)C)C	1.28
1125-78-6	Oc1ccc2c(c1)CCCC2	2.9
1125-80-0	n1cc2ccccc2(cc1C)	2.68
1126-00-7	n1cccn1c2ccccc2	2.2
1126-46-1	O=C(OC)c1ccc(cc1)Cl	2.87
1126-78-9	c1ccc(cc1)NCCCC	3.58
1127-76-0	c1ccc2c(c1)cccc2CC	4.4
1128-05-8	O=C(c1csc2ccccc12)C	2.78
1128-78-5	O=C(Oc1ccccc1C)NC	1.46
1129-26-6	O=S(=O)(N)c1ccc(OC)cc1	0.47
1129-37-9	O=[N+]([O-])c1ccc(C=NO)cc1	1.95
1129-41-5	O=C(Oc1cccc(c1)C)NC	1.7
1129-48-2	O=C(Oc1ccc(cc1)C)NC	1.66
1129-50-6	O=C(Nc1ccccc1)CCC	2.05
1131-64-2	N=C(N)N2Cc1ccccc1CC2	0.75
1132-18-9	O=S(=O)(N)c1ccc(cc1)CCC	1.64
1132-21-4	O=C(O)c1cc(OC)cc(OC)c1	2.19
1134-23-2	O=C(N(CC)C1CCCCC1)SCC	3.88
1134-47-0	O=C(O)CC(c1ccc(cc1)Cl)CN	-0.96
1134-61-8	C(#Cc2ccc(c1cccs1)s2)C=C	5.15
1134-87-8	O=C(C)C(C(=O)C)Cc1ccccc1	1.89
1135-00-8	O=S(=O)(N)c1ccc(cc1)CCCC	2.45
1135-24-6	O=C(O)C=Cc1ccc(O)c(OC)c1	1.51
1135-43-9	O=C(Oc1ccc(cc1)C(=O)C)NC	1.01
1135-58-6	O=C(N)Nc1cccc(c1)NC(=O)N	0.58
1137-42-4	O=C(c1ccccc1)c2ccc(O)cc2	3.07
1137-96-8	[O-][N+](=Cc1ccccc1)c2ccccc2	1.88
1138-58-5	O=S(=O)(N)c1ccc(OCCCC)cc1	2.05
1138-60-9	O=C(OC(C)C)c1cc(O)c(O)c(O)c1	1.54
1141-88-4	Nc1ccccc1SSc2ccccc2(N)	3.05
1142-70-7	O=C1NC(=O)C(C(=O)N1)(CC(=C)Br)C(C)CC	2.2
1143-78-8	O=C(OCC)CC(n2nnc1ccccc12)C	2.27
1145-46-6	O=S(=O)(N)c1ccc(OCCCCCC)cc1	2.93
1146-98-1	O=C2c3ccccc3(C(=O)C2(c1ccc(cc1)Br))	3.76
1146-99-2	O=C2c3ccccc3(C(=O)C2(c1ccc(cc1)Cl))	3.61
1148-79-4	n1ccccc1c2nc(ccc2)c3ncccc3	1.96
1151-51-5	O=C(Nc1ccc(cc1)Cl)c2cc(cc(c2(O))Cl)Cl	5.15
1152-72-3	O=C(OCC(C#Cc1ccc(C#CC#CC)s1)Cl)C	4.6
1155-00-6	O=[N+]([O-])c1ccccc1SSc2ccccc2[N+](=O)[O-]	3.37
1156-19-0	O=C(NN1CCCCCC1)NS(=O)(=O)c2ccc(cc2)C	2.69
1159-93-9	O=C2c3ccccc3(Nc1cc(ccc1N2CCN(C)C)Cl)	3.73
1164-13-2	O=S(=O)(Nc1nc(nc(OCC)c1)OCC)c2ccc(N)cc2	2.4
1165-48-6	O=C2c3ccc(OC)c(c3(OC(c1ccccc1)=C2C))CN(C)C	3.65
1182-87-2	O=CC56(CCC(OC1OC(C)C(O)C(OC)C1(O))CC6(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)CCC34(O)))))	1.05
1185-97-3	O=P(OC)(OC)C=C(Cl)Cl	1.4
1188-09-6	O=C(OCCCOC(=O)C(=C)C)C(=C)C	1.86
1190-48-3	O=CNCCCCC(N)C(=O)O	-2.84
1192-62-7	O=C(c1occc1)C	0.52
1193-62-0	O=C(OC)c1ccc[nH]1	1.17
1193-82-4	O=S(c1ccccc1)C	0.55
1194-65-6	N#Cc1c(cccc1Cl)Cl	2.74
1195-08-0	O=CC1=CNC(=O)NC1(=O)	-1.03
1195-14-8	c1ccc2c(c1)cc(C)s2	3.71
1195-16-0	O=C(NC1C(=O)SCC1)C	-0.35
1196-01-6	O=C1C=C(C)C2CC1C2(C)(C)	2.23
1197-19-9	N#Cc1ccc(cc1)N(C)C	2.2
1197-22-4	O=S(=O)(Nc1ccccc1)C	0.95
1197-50-8	ON=CCCc1ccccc1	1.56
1198-55-6	Oc1c(O)c(c(c(c1Cl)Cl)Cl)Cl	4.29
1199-98-0	O=C(N)CCCc1ccccc1	1.41
1199-99-1	c1ccc(cc1)CCCN(C)C	2.73
1200-06-2	O=C(Oc1ccc(OC)cc1)C	1.54
1201-56-5	OC(c1ccccc1)C(N(C)C)C	1.7
1202-04-6	O=C(OC)c1cc2ccccc2([nH]1)	2.45
1202-32-0	O=[N+]([O-])C(=Cc1ccccc1)CC	2.86
1207-63-2	O=S2(=O)(NC(=Nc1ccc(cc12)Cl)CC)	1.62
1209-98-9	c1ccc(cc1)C3C(NCC)C2CCC3(C2)	3.2
1210-12-4	N#Cc1c3ccccc3(cc2ccccc12)	4.26
1212-29-9	N(C(NC1CCCCC1)=S)C2CCCCC2	3.69
1214-32-0	O=[N+]([O-])c2ccc3c1ccc(N)cc1Cc3(c2)	3.06
1214-39-7	n2cnc(NCc1ccccc1)c3nc[nH]c23	1.57
1216-40-6	O=C1NC(=O)C(C(=O)N1)(CC(=C)Br)C(C)CCC	2.09
1220-55-9	O=C(NN1CCCC1)NS(=O)(=O)c2ccc(cc2)C	0.65
1220-83-3	O=S(=O)(Nc1ncnc(OC)c1)c2ccc(N)cc2	0.7
1224-47-1	O=C(NN1CCCCC1)NS(=O)(=O)c2ccc(cc2)Cl	0.84
1225-64-5	c1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCNC	4.94
1228-19-9	O=C(NN1CCCCCC1)NS(=O)(=O)c2ccc(cc2)Cl	1.64
1241-94-7	O=P(Oc1ccccc1)(Oc2ccccc2)OCC(CC)CCCC	5.73
1401-69-0	O=CCC4CC(C(=O)C=CC(=CC(COC1OC(C)C(O)C(OC)C1(OC))C(OC(=O)CC(O)C(C)C4(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3(O)))CC)C)C	1.63
1404-64-4	O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(CO)CS(=O)CSC	-1.71
1405-86-3	O=C(O)C7OC(OC1C(OC(C(=O)O)C(O)C1(O))OC3CCC4(C)(C5C(=O)C=C2C6CC(C(=O)O)(C)CCC6(C)(CCC2(C)C5(C)(CCC4(C3(C)(C))))))C(O)C(O)C7(O)	2.8
1420-55-9	c1ccc3c(c1)N(c2cc(ccc2S3)SCC)CCCN4CCN(C)CC4	5.41
1427-45-8	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2C(F)(F)F))[N+](=O)[O-]	2.51
1431-39-6	O=S(=O)(N)c2cccc1c2(cccc1N(C)C)	2.01
1436-34-6	O1CC1CCCC	1.95
1436-43-7	N#Cc1nc2ccccc2(cc1)	1.6
1437-15-6	n1ccccc1C=Cc2ncccc2	2.11
1441-44-7	n1cccc(c1)CCCCN(C)C	1.49
1443-80-7	N#Cc1ccc(cc1)C(=O)C	1.22
1443-94-3	O=C(NN1CCCCC1)NS(=O)(=O)c2ccc(cc2)C	1.34
1448-87-9	n1cc(nc2ccccc12)Cl	2.23
1451-20-3	O(c1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC)C	8.06
1452-77-3	O=C(N)c1ncccc1	0.15
1453-82-3	O=C(N)c1ccncc1	-0.28
1454-80-4	Nc1ccccc1c2ccccc2(N)	1.34
1455-77-2	n1[nH]c(nc1N)N	-1.61
1455-84-1	n1oc(nc1C)c2ncccc2	0.89
1456-28-6	O=NN1CC(OC(C)C1)C	0.32
1457-85-8	O=C(OCC)C(=O)Nc1ccccc1	1.48
1460-57-7	OC1CCCCC1(O)	0.16
1461-22-9	CCCC[Sn](CCCC)(CCCC)Cl	4.76
1461-23-0	CCCC[Sn](CCCC)(CCCC)Br	5.07
1464-44-4	OCC2OC(Oc1ccccc1)C(O)C(O)C2(O)	-0.82
1466-76-8	O=C(O)c1c(OC)cccc1(OC)	0.66
1467-23-8	O=C(NCC)NS(=O)(=O)c1ccc(cc1)C	1.14
1467-34-1	O=C(Nc1cc(c(c(c1)C)C)C)C	2.5
1467-79-4	N#CN(C)C	-0.15
1468-83-3	O=C(c1ccsc1)C	1.24
1468-95-7	OCc2c3ccccc3(cc1ccccc12)	3.04
1470-44-6	O=C2c3ccccc3(C(=O)C2(c1cccc(c1)Cl))	3.61
1477-50-5	O=C(O)c1cc2ccccc2([nH]1)	2.31
1480-19-9	O=C(c1ccc(F)cc1)CCCN3CCN(c2ccccc2(OC))CC3	3.6
1483-24-5	O=C(c1ccccc1)N(N)C	0.7
1492-96-2	O=C1Nc3ccc(cc3(C(=NC1)c2ccc(F)cc2))Cl	2.9
1498-96-0	O=C(O)c1ccc(OCCCC)cc1	3.57
1499-10-1	c1ccc(cc1)c5c2ccccc2c(c3ccccc3)c4ccccc45	8.46
1501-05-9	O=C(O)CCCC(=O)c1ccccc1	1.49
1502-22-3	O=C1CCCCC1C2=CCCCC2	3.17
1504-26-3	O=C(Nc1ccccc1[N+](=O)[O-])Cc2ccccc2	2.73
1510-24-3	C(=Nc1ccc(cc1)c2ccccc2)=S	4.66
1513-31-1	O=S(=O)(Nc1ccc(cc1)Cl)C(F)F	2.84
1513-65-1	Fc1nc(F)ccc1	1.17
1515-85-1	N#Cc1ccc(cc1)COC	1.23
1517-63-1	OC(c1ccccc1)c2ccc(cc2)C	3.13
1517-69-7	OC(c1ccccc1)C	1.42
1523-06-4	O=C(Oc1cccc(c1)[N+](=O)[O-])C	1.82
1532-84-9	n1ccc2ccccc2(c1N)	1.9
1535-61-1	O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2(F)	-0.29
1538-74-5	O=C(OCCCC)Nc1ccccc1	3.3
1542-59-2	Fc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N	0.37
1547-10-0	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(F)(F)F	0.49
1551-06-0	c1c[nH]c(c1)CC	1.59
1552-94-9	O=C(O)C=CC=Cc1ccccc1	3.15
1553-60-2	O=C(O)Cc1ccc(cc1)CC(C)C	3.35
1555-94-8	n1cccc2cccc(OCC)c12	2.25
1558-17-4	n1cnc(cc1C)C	0.62
1563-66-2	O=C(Oc2cccc1c2(OC(C)(C)C1))NC	2.32
1565-17-9	O=C(c1ccc(cc1)S(=O)(=O)N)C	0.2
1567-89-1	O=[N+]([O-])c1ccc(NN=C(C)C)c(c1)[N+](=O)[O-]	3.05
1568-70-3	O=[N+]([O-])c1cc(OC)ccc1(O)	2.02
1570-45-2	O=C(OCC)c1ccncc1	1.43
1570-64-5	Oc1ccc(cc1C)Cl	2.63
1571-33-1	O=P(O)(O)c1ccccc1	0.54
1571-92-2	O=[N+]([O-])c1ccc2[nH]c(nc2(c1))c3ccccc3C	3.42
1574-10-3	O=C(N)NN=Cc1ccccc1	1.27
1574-41-0	C=CC=CC	2.42
1576-17-6	O=C(Nc1ccccc1)N(OC)C	1.29
1576-42-7	O=C(N)c1cccc(c1)S(=O)(=O)N	-0.84
1576-43-8	O=S(=O)(N)c1ccc(O)cc1	0.06
1582-09-8	O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])C(F)(F)F	5.34
1582-75-8	O=C1OC4(CC1)(CCC3C5CCC2=CC(=O)CCC2(C)C5(F)(C(O)CC34(C)))	2.4
1585-79-1	O=C(OCC)CN1C(=O)C=CC1(=O)	0.49
1592-38-7	OCc1ccc2ccccc2(c1)	2.21
1592-82-1	O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1C(C)C	4.05
1596-84-5	O=C(O)CCC(=O)NN(C)C	-1.5
1603-41-4	n1cc(ccc1N)C	1.02
1606-67-3	Nc1ccc2ccc3cccc4ccc1c2c34	4.31
1608-68-0	O=C(Oc1ccccc1C(C)C)C	2.78
1610-17-9	n1c(nc(nc1NCC)NC(C)C)OC	2.69
1610-18-0	n1c(nc(nc1NC(C)C)NC(C)C)OC	2.99
1611-38-7	O=C(C=Cc1ccc(F)cc1)C	2.22
1611-63-8	O=C(Nc1ccccc1)NC2(C)(CCCCC2)	3.6
1612-15-3	O=C(OCC)CC(n1nc2ccccc2(n1))C	2.7
1615-06-1	O=S1(=O)(Nc2ccccc2(N1))	1.12
1617-93-2	n1nc(oc1N)CCc2ccccc2	1.19
1620-75-3	N#Cc1nc(ccc1)C	0.84
1622-57-7	n1c(N)n(c2ccccc12)C	0.95
1622-61-3	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))[N+](=O)[O-]	2.41
1622-62-4	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))[N+](=O)[O-])C	2.06
1623-19-4	O=P(OCC=C)(OCC=C)OCC=C	1.76
1627-73-2	N(=Cc1ccccc1)NC(N)=S	1.86
1628-89-3	n1ccccc1OC	1.34
1632-76-4	n1nc(ccc1)C	-0.35
1633-44-9	N#Cc1cnccc1(C#N)	0.24
1634-04-4	O(C)C(C)(C)C	0.94
1636-33-5	C(=Nc1ccc2ccccc2(c1))=S	4.34
1638-22-8	Oc1ccc(cc1)CCCC	3.65
1639-32-3	O=C(Nc1ccc(c(c1C)C)C)C	1.76
1642-81-5	O=C(O)c1ccc(cc1)CCl	2.12
1643-15-8	O=C(O)COc1cccc(c1)C	1.78
1643-16-9	O=C(O)COc1ccc(cc1)C(C)C	2.69
1646-27-1	O=C(OC)c1oc2ccccc2(c1)	2.53
1646-88-4	O=C(ON=CC(C)(C)S(=O)(=O)C)NC	-0.57
1649-18-9	O=C(c1ccc(F)cc1)CCCN3CCN(c2ncccc2)CC3	3.3
1668-19-5	O3c1ccccc1C(=CCCN(C)C)c2ccccc2C3	4.29
1670-14-0	N=C(N)c1ccccc1	0.65
1670-84-4	O=C(N)c1cc2ccccc2([nH]1)	1.61
1670-86-6	O=C(N)c2cccc1[nH]ccc12	0.66
1670-87-7	O=C(N)c1ccc2[nH]ccc2(c1)	0.87
1671-82-5	O=[N+]([O-])c1nccn1C	-0.17
1672-46-4	O=C1OCC(=C1)C3CCC4(O)(C5CCC2CC(O)CCC2(C)C5(CC(O)C34(C)))	1.1
1673-47-8	O=C(NN)c1cccc(c1)Cl	1.18
1675-02-1	O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(O)(C)C2)C3C)C	1.26
1677-27-6	O=C2c1ccccc1SS2	2.73
1678-25-7	O=S(=O)(Nc1ccccc1)c2ccccc2	2.58
1678-91-7	CCC1CCCCC1	4.56
1680-21-3	O=C(OCCOCCOCCOC(=O)C=C)C=C	0.96
1680-44-0	n1nc(c[nH]1)c2ccccc2	1.91
1689-09-4	O=C1OC(c2ccccc12)(C)C	1.73
1689-83-4	N#Cc1cc(c(O)c(c1)I)I	3.43
1689-99-2	N#Cc1cc(c(OC(=O)CCCCCCC)c(c1)Br)Br	6.1
1695-04-1	O(c1ccccc1)c2ccccc2(OC)	2.92
1696-17-9	O=C(c1ccccc1)N(CC)CC	1.25
1698-60-8	O=C1C(=C(N)C=NN1c2ccccc2)Cl	1.14
1698-62-0	O=C1C(=C(C=NN1c2ccccc2)NC)Cl	1.19
1701-69-5	O=C(c1ccncc1)CC	0.77
1702-17-6	O=C(O)c1nc(ccc1Cl)Cl	1.06
1708-29-8	O1CC=CC1	0.46
1709-52-0	O=S(=O)(NC)c1ccc(N)cc1	-0.01
1709-59-7	O=S(=O)(c1ccc(N)cc1)N(C)C	0.67
1722-10-7	n1nc(ccc1OC)Cl	0.89
1722-12-9	n1cccnc1Cl	0.36
1722-18-5	n1cnc(nc1)c2ccccc2	1.93
1726-94-9	C(=NC(c1ccccc1)(c2ccccc2)c3ccccc3)=S	7.02
1730-37-6	c1ccc3c(c1)c2cccc(c2C3)C	4.97
1731-84-6	O=C(OC)CCCCCCCC	4.32
1732-08-7	O=C(OC)CCCCCC(=O)OC	1.38
1737-06-0	O=C(Nc1ccc(OC(F)(F)F)cc1)C	2.62
1740-57-4	O=C(N)c1cccc(c1)C(=O)N	-0.21
1746-01-6	O1c3cc(c(cc3(Oc2cc(c(cc12)Cl)Cl))Cl)Cl	6.8
1746-13-0	O(c1ccccc1)CC=C	2.94
1746-25-4	n1c([nH]c(c1I)I)I	2.78
1746-81-2	O=C(Nc1ccc(cc1)Cl)N(OC)C	2.3
1747-53-1	O=C(OCC)C1=CC(=O)NC(=O)N1	0.68
1752-26-7	O=C(O)C3N2C(=O)C(NC(=O)CCOc1ccccc1)C2SC3(C)(C)	2.28
1752-96-1	O=C(Nc1ccccc1)c2cnccc2	1.73
1758-88-9	c1cc(c(cc1C)CC)C	4.43
1759-02-0	O=C(Oc1ccc(cc1)Cl)N2CCCC2	3.38
1759-53-1	O=C(O)C1CC1	0.63
1762-26-1	CC[Pb](C)(C)C	3.88
1762-27-2	CC[Pb](C)(C)CC	4.04
1771-65-9	O=C(O)C(C)CC(=O)c1ccccc1	1.62
1783-81-9	Nc1cccc(c1)SC	1.45
1792-40-1	O=[N+]([O-])c1ccc2[nH]c(nc2(c1))C	1.94
1798-03-4	O=C(O)COc1ccccc1CC	2.53
1798-06-7	O=C(O)Cc1ccc(cc1)I	2.64
1798-09-0	O=C(O)Cc1cccc(OC)c1	1.5
1798-11-4	O=C(O)COc1ccc(cc1)[N+](=O)[O-]	1.48
1798-99-8	O=C(O)COc1cccc(c1)Br	2.22
1801-72-5	O=C(NCC=C)NCC=C	0.64
1805-02-3	n1c(N)n(c2ccc(OC)cc12)C	0.87
1805-32-9	OCc1ccc(c(c1)Cl)Cl	2.74
1812-30-2	O=C1Nc3ccc(cc3(C(=NC1)c2ncccc2))Br	2.05
1817-47-6	O=[N+]([O-])c1ccc(cc1)C(C)C	3.45
1821-12-1	O=C(O)CCCc1ccccc1	2.42
1821-33-6	O=C(Nc1ccccc1)NC(=O)c2ccccc2	3.39
1824-46-0	O=S(=O)(N)c1cc2c(cc1C)NCNS2(=O)(=O)	-0.22
1824-47-1	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CCl	0.11
1824-50-6	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))Cc3ccccc3	0.93
1824-58-4	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CC	0.3
1825-21-4	O(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)C	5.45
1825-30-5	c2cc1c(cccc1Cl)c(c2)Cl	4.67
1825-31-6	c1ccc2c(c1)c(ccc2Cl)Cl	4.66
1826-11-5	n1ccsc1c2ccccc2	2.77
1828-76-8	O=C1OC(O)(c2ccccc12)C	0.81
1829-37-4	O=C(Oc1ccccc1Br)C	2.2
1832-68-4	O=P(OCCCCCCCC)(OCCCCCCCC)C	6.13
1836-75-5	O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)Cl)cc2	4.64
1836-77-7	O=[N+]([O-])c2ccc(Oc1c(cc(cc1Cl)Cl)Cl)cc2	4.97
1841-19-6	O=C2NCN(c1ccccc1)C25(CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC5)	5.86
1861-32-1	O=C(OC)c1c(c(c(C(=O)OC)c(c1Cl)Cl)Cl)Cl	4.28
1861-40-1	O=[N+]([O-])c1cc(cc(c1N(CC)CCCC)[N+](=O)[O-])C(F)(F)F	5.29
1864-94-4	O=COc1ccccc1	1.26
1867-66-9	O=C2CCCCC2(NC)(c1ccccc1Cl)	2.18
1871-96-1	N#CCCCCCCCCC#N	1.75
1874-12-0	O=C(OCC)C=Cc1oc(cc1)[N+](=O)[O-]	2.1
1874-22-2	O=CC=Cc1oc(cc1)[N+](=O)[O-]	0.96
1874-24-4	O=C(OC)C=Cc1oc(cc1)[N+](=O)[O-]	1.65
1877-71-0	O=C(O)c1cccc(c1)C(=O)OC	1.83
1877-72-1	N#Cc1cccc(c1)C(=O)O	1.48
1877-73-2	O=C(O)Cc1cccc(c1)[N+](=O)[O-]	1.45
1877-75-4	O=C(O)COc1ccc(OC)cc1	1.23
1878-49-5	O=C(O)COc1ccccc1C	1.98
1878-51-9	O=C(O)COc1cccc(c1)CC	2.25
1878-52-0	O=C(O)COc1cccc(c1)C(C)C	2.59
1878-53-1	O=C(O)COc1cccc(c1)CCCC	3.18
1878-55-3	O=C(O)COc1cccc(c1)C(C)(C)C	2.96
1878-56-4	O=C(O)COc1ccc(cc1)C2CCCCC2	3.79
1878-57-5	O=C(O)COc1cccc(c1)c2ccccc2	3.18
1878-58-6	O=C(O)COc1ccc2c(c1)CCC2	2.33
1878-59-7	O=C(O)COc1ccc2c(c1)CCCC2	2.67
1878-61-1	O=C(O)c1cccc(OCC(=O)O)c1	1.11
1878-62-2	O=C(O)COc1ccccc1(C(=O)C)	1.25
1878-65-5	O=C(O)Cc1cccc(c1)Cl	2.09
1878-66-6	O=C(O)Cc1ccc(cc1)Cl	2.12
1878-67-7	O=C(O)Cc1cccc(c1)Br	2.37
1878-68-8	O=C(O)Cc1ccc(cc1)Br	2.31
1878-69-9	O=C(O)Cc1cccc(c1)I	2.62
1878-71-3	N#Cc1cccc(c1)CC(=O)O	1.18
1878-76-8	O=C(O)COc1cccc(c1)SC	1.9
1878-80-4	O=C(O)COc1cccc(c1)C(=O)C	0.98
1878-81-5	O=C(O)COc1ccc(cc1)C(=O)C	0.87
1878-82-6	N#Cc1ccc(OCC(=O)O)cc1	0.93
1878-83-7	O=C(O)COc1cccc(O)c1	0.76
1878-84-8	O=C(O)COc1ccc(O)cc1	0.65
1878-85-9	O=C(O)COc1ccccc1(OC)	0.98
1878-87-1	O=C(O)COc1ccccc1[N+](=O)[O-]	1.13
1878-88-2	O=C(O)COc1cccc(c1)[N+](=O)[O-]	1.37
1878-89-3	O=C(O)COc1cccc(c1)NC(=O)c2ccccc2	1.99
1878-91-7	O=C(O)COc1ccc(cc1)Br	2.45
1878-92-8	O=C(O)COc1ccccc1I	2.33
1878-93-9	O=C(O)COc1cccc(c1)I	2.44
1879-56-7	O=C(O)COc1ccccc1Br	2.04
1879-58-9	N#Cc1cccc(OCC(=O)O)c1	0.95
1879-77-2	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)C)C4(C)(CC(O)C23(F)))(C)	2.35
1882-26-4	O=C(OCc1nc(ccc1)COC(=O)NC)NC	0.24
1883-15-4	O=P(O)(O)Oc1cnc(c(O)c1CO)C	-0.64
1885-29-6	N#Cc1ccccc1(N)	1.4
1885-38-7	N#CC=Cc1ccccc1	1.96
1885-87-6	N(=Cc1ccccc1)N2CCCCC2	3.04
1891-90-3	O=C(N)c1ccc(cc1)C(F)(F)F	1.71
1893-33-0	O=C(N)C3(N1CCCCC1)(CCN(CCCC(=O)c2ccc(F)cc2)CC3)	2.02
1897-45-6	N#Cc1c(c(C#N)c(c(c1Cl)Cl)Cl)Cl	3.05
1899-48-5	n1c(nc2ccccc2(c1N))N	1
1899-94-1	O=S(=O)(N)c1cccc(c1)C	0.85
1904-58-1	O=C(NN)c1ccccc1(N)	-0.18
1912-24-9	n1c(nc(nc1NC(C)C)Cl)NCC	2.61
1912-25-0	n1c(nc(nc1N(CC)CC)Cl)NC(C)C	3.94
1912-26-1	n1c(nc(nc1N(CC)CC)Cl)NCC	3.34
1918-00-9	O=C(O)c1c(OC)c(ccc1Cl)Cl	2.21
1918-16-7	O=C(N(c1ccccc1)C(C)C)CCl	2.18
1918-18-9	O=C(OC)Nc1ccc(c(c1)Cl)Cl	3.32
1929-29-9	O=C(O)CCc1ccc(OC)cc1	1.9
1929-77-7	O=C(N(CCC)CCC)SCCC	3.84
1929-82-4	n1c(cccc1Cl)C(Cl)(Cl)Cl	3.41
1934-92-5	O=C(c1ccccc1)N(c2ccccc2)C	2.36
1939-21-5	O=C(Nc1cccc(c1)C(F)(F)F)Cc2ccccc2	3.84
1942-48-9	O=C(CC(=O)CCCC)CCCC	3.56
1943-79-9	O=C(Oc1ccccc1)NC	1.24
1943-87-9	O=C(OC)Nc1ccc(cc1)[N+](=O)[O-]	2.12
1948-92-1	O=[N+]([O-])c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2	2.04
1951-25-3	O=C(c1cc(c(OCCN(CC)CC)c(c1)I)I)c2c3ccccc3(oc2CCCC)	7.8
1951-56-0	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC(C)C	1.34
1953-33-9	O=C1NC(=O)C(C(=O)N1)CCCC	0.77
1953-54-4	Oc1ccc2[nH]ccc2(c1)	1.11
1959-97-3	O=C1N(c3ccc(F)cc3(C(=NC1)c2ccc(cc2)Cl))C	3.1
1962-75-0	O=C(OCCCC)c1ccc(cc1)C(=O)OCCCC	5.53
1967-25-5	O=C(N)Nc1ccc(cc1)Br	1.98
1967-27-7	O=C(N)Nc1cccc(c1)Cl	1.82
1972-71-0	O=C(NC(=O)c1ccccc1(O))c2ccccc2(O)	1.92
1978-59-2	Fc1ccc(cc1)C2=CCNCC2	2.37
1982-37-2	c1ccc3c(c1)N(c2ccccc2S3)CC4CN(C)CC4	5.23
1982-47-4	O=C(Nc2ccc(Oc1ccc(cc1)Cl)cc2)N(C)C	3.7
1984-59-4	O(c1cccc(c1Cl)Cl)C	3.24
1984-65-2	O(c1c(cccc1Cl)Cl)C	3.14
1985-51-9	O=C(OCC(C)(C)COC(=O)C(=C)C)C(=C)C	2.79
1989-33-9	O=C(O)C2c3ccccc3(c1ccccc12)	2.8
1991-78-2	O=C(O)C(N)Cc1ccc(cc1)Cl	-0.48
2002-29-1	O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(O)(C(=O)COC(=O)C(C)(C)C)C4(C)(CC(O)C23(F)))(C)	3.86
2002-36-0	n2cnc1c(ncn1CCCCC)c2N	1.79
2008-41-5	O=C(N(CC(C)C)CC(C)C)SCC	4.15
2008-58-4	O=C(N)c1c(cccc1Cl)Cl	0.77
2008-73-3	O=C(Nc1ccccc1)Nc2ccc(c(c2)Cl)Cl	4.7
2011-57-6	O=C(Nc1ccc(O)c(c1C)C)C	0.57
2011-67-8	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-])C	2.16
2012-81-9	N#CC(c1ccc(cc1)Cl)C(C)C	3.41
2018-61-3	O=C(O)C(NC(=O)C)Cc1ccccc1	0.93
2021-26-3	O=C1NC(=O)c2cc(ccc12)c3ccccc3	2.97
2021-28-5	O=C(OCC)CCc1ccccc1	2.73
2024-34-2	O=C1N(c3ccc(F)cc3(C(=NC1)c2ccccc2(F)))C	2.41
2027-47-6	O=C(O)CCCCCCCC=CCCCCCCCC	7.64
2029-64-3	O=C(OCCCCCCCC)N	2.84
2030-63-9	N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NC(C)C)C(=CC=34)Nc5ccc(cc5)Cl	7.66
2032-59-9	O=C(Oc1ccc(c(c1)C)N(C)C)NC	1.9
2032-65-7	O=C(Oc1cc(c(c(c1)C)SC)C)NC	2.92
2034-22-2	n1c([nH]c(c1Br)Br)Br	1.96
2035-15-6	Oc5ccc1c(OCC2c3cc4OCOc4(cc3(OC12)))c5	2.61
2036-41-1	n1cncc(c1)C	0.01
2038-57-5	NCCCc1ccccc1	1.83
2038-62-2	FCCCc1ccccc1	2.95
2042-14-0	O=[N+]([O-])c1cc(O)ccc1C	2.18
2046-17-5	O=C(OC)CCCc1ccccc1	2.77
2046-18-6	N#CCCCc1ccccc1	2.21
2046-19-7	O=C(O)C(N)CCCc1ccccc1	-0.36
2046-21-1	O=C(OC)CCCCC(=O)C	0.55
2046-23-3	O=C(C)CCC1CC1	1.5
2046-33-5	O(C)CCCc1ccccc1	2.7
2050-43-3	O=C(Nc1ccc(cc1C)C)C	1.46
2050-45-5	O=C(Nc1cc(cc(c1)C)C)C	2.17
2050-67-1	c1cc(cc(c1)Cl)c2cccc(c2)Cl	5.27
2050-68-2	c1cc(ccc1c2ccc(cc2)Cl)Cl	5.23
2050-69-3	c1ccc2c(c1)ccc(c2Cl)Cl	4.42
2050-73-9	c2cc1ccc(cc1c(c2)Cl)Cl	4.56
2050-74-0	c2cc1cccc(c1c(c2)Cl)Cl	4.3
2050-75-1	c1ccc2cc(c(cc2(c1))Cl)Cl	4.42
2050-76-2	Oc2c1ccccc1c(cc2Cl)Cl	4.23
2050-85-3	O=C(Nc1ccccc1(NC(=O)C))C	-0.03
2051-24-3	c2(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	8.27
2051-60-7	c1ccc(cc1)c2ccccc2Cl	4.53
2051-61-8	c1ccc(cc1)c2cccc(c2)Cl	4.58
2051-62-9	c1ccc(cc1)c2ccc(cc2)Cl	4.61
2051-95-8	O=C(O)CCC(=O)c1ccccc1	1.3
2052-07-5	c1ccc(cc1)c2ccccc2Br	4.59
2052-14-4	O=C(OCCCC)c1ccccc1(O)	4.63
2055-14-3	n1cccc(c1)CN(CC)CC	1.01
2055-21-2	n1cccc(c1)CN(C)C	0.49
2055-46-1	N1C(NCCC1)=S	-0.68
2058-74-4	O=C1C(=O)N(c2ccccc12)C	0.58
2059-76-9	C(=Nc1ccc(cc1)I)=S	4.22
2060-58-4	OCC(C=CC#CC#CC#CC=CC)Cl	3.91
2065-23-8	O=C(OC)COc1ccccc1	1.41
2065-37-4	O=C1C=C(C(=O)c2ccccc12)Br	2.44
2070-61-3	O=S(=O)(Nc1ccccc1)CF	1.35
2077-99-8	O=[N+]([O-])c1cc(cc(c1(NCCC))[N+](=O)[O-])C(F)(F)F	3.65
2078-54-8	Oc1c(cccc1C(C)C)C(C)C	3.79
2084-13-1	O=C(O)c1cccc(c1)CC(=O)O	1.14
2088-24-6	O=C(O)COc1cccc(OC)c1	1.38
2095-17-2	NCCCN3c1ccccc1Sc2ccc(cc23)Cl	4.47
2100-42-7	O(c1ccc(OC)c(c1)Cl)C	2.69
2104-64-5	O=[N+]([O-])c2ccc(OP(OCC)(c1ccccc1)=S)cc2	4.78
2104-96-3	O(c1cc(c(cc1Cl)Br)Cl)P(OC)(OC)=S	5.21
2113-47-5	O=C(Nc2ccccc2(c1ccccc1))C	2.02
2113-57-7	c1ccc(cc1)c2cccc(c2)Br	4.85
2113-58-8	O=[N+]([O-])c1cccc(c1)c2ccccc2	3.87
2114-20-7	O=C(OCCCCCC)N	1.85
2122-63-6	O=C(O)c1ccc(N)c(c1)I	2.36
2124-31-4	O=C(c1ccc(cc1)N(C)C)C	2.1
2131-41-1	c1cc2c(c(c1)C)c(ccc2C)C	4.9
2131-55-7	C(=Nc1ccc(cc1)Cl)=S	3.91
2131-59-1	C(=Nc1cccc(c1)Br)=S	4.12
2131-60-4	Oc1ccc(N=C=S)cc1	2.74
2131-62-6	O=C(O)c1ccc(N=C=S)cc1	3.52
2131-64-8	C(=Nc1ccc(cc1)N(C)C)=S	3.96
2135-17-3	O=C1C=CC3(C(=C1)C(F)CC2C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)	1.94
2136-99-4	c2c(c(c(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl	7.73
2140-61-6	O=C1N=C(N)C(=CN1C2OC(CO)C(O)C2(O))C	-2.01
2142-63-4	O=C(c1cccc(c1)Br)C	2.47
2142-68-9	O=C(c1ccccc1Cl)C	2.09
2143-80-8	O=C(C=Cc1ccccc1(F))C	2.34
2144-41-4	O1C(C)CCC1C	1.28
2150-88-1	O=C(OC)Nc1cccc(c1)Cl	2.58
2150-93-8	O=C(Nc1ccc(c(c1)Cl)Cl)C	3
2150-95-0	O=C(Nc1ccc(c(c1)Cl)Cl)CCC	3.77
2150-96-1	O=C(Nc1ccc(c(c1)Cl)Cl)CCCC	4.17
2152-44-5	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCCC)(C(=O)CO)C4(C)(CC(O)C23(F)))(C)	3.6
2156-14-1	O=C3c4ccccc4(C(=O)C3(c1ccc(cc1)c2ccccc2))	4.79
2157-98-4	O=C(C=C(OP(=O)(OC)OC)C)NC	-0.2
2169-64-4	O=C1C=NN(C(=O)N1)C2OC(COC(=O)C)C(OC(=O)C)C2(OC(=O)C)	-0.2
2176-16-1	O(c2cc(cc(OC)c2(OCc1ccccc1))CCN)C	2.4
2176-62-7	n1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	3.53
2183-54-2	Oc1c(cc(cc1Br)Br)CO	2.72
2189-60-8	c1ccc(cc1)CCCCCCCC	6.3
2189-61-9	O=C(OC)Nc1cccc(c1)[N+](=O)[O-]	2
2198-53-0	O=C(Nc1c(cccc1C)C)C	1.07
2198-54-1	O=C(Nc1ccc(c(c1)C)C)C	2.1
2198-77-8	c1cc(cc2cc(ccc12)Cl)Cl	4.81
2199-43-1	O=C(OCC)c1ccc[nH]1	1.73
2199-49-7	O=C(OCC)c1c[nH]cc1C	2.14
2202-79-1	O=C1C=CC(=O)c2cc(c(cc12)C)C	2.49
2211-33-8	O=C2NC(=O)N(c1ccccc1)C2(=O)	0.6
2212-67-1	O=C(N1CCCCCC1)SCC	3.21
2213-43-6	NN1CCCCC1	-0.28
2213-70-9	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NC	3.06
2213-84-5	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCC	3.18
2213-85-6	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCCC	3.7
2213-87-8	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCCCC	4.18
2213-88-9	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NCC(C)C	3.86
2214-33-7	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NC(C)(C)C	3.83
2214-34-8	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)N	2.53
2214-53-1	N#Cc1ccnc(c1)C	0.81
2215-77-2	O=C(O)c2ccc(Oc1ccccc1)cc2	3.91
2216-45-7	O=C(OCc1ccc(cc1)C)C	2.44
2216-68-4	c1ccc2c(c1)cccc2(NC)	2.88
2216-69-5	O(c1cccc2ccccc12)C	3.45
2217-02-9	OC2C(C)(C)C1CCC2(C)(C1)	3.17
2217-08-5	O=C1NC(=O)C(C(=O)N1)(CCC)CCC	1.75
2221-13-8	O=C2NCC(=O)N2(c1ccccc1)	0.04
2227-79-4	NC(c1ccccc1)=S	1.49
2235-83-8	O=C(C)CCCc1ccccc1	2.42
2237-30-1	N#Cc1cccc(N)c1	1.07
2240-28-0	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)COC(=O)CCCC)C4(C)(CC(O)C23(F)))(C)	3.87
2240-41-7	O=P(OC)(OC)c1ccccc1	0.95
2240-88-2	FC(F)(F)CCO	0.39
2243-42-7	O=C(O)c2ccccc2(Oc1ccccc1)	3.11
2243-62-1	Nc1cccc2c(N)cccc12	0.89
2243-81-4	O=C(N)c2cccc1ccccc12	1.88
2251-64-1	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C(F)(F)F)	1.65
2252-63-3	Fc1ccc(cc1)N2CCNCC2	1.28
2255-15-4	O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1Cl	1.83
2255-17-6	O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1C	1.69
2256-16-8	O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2NCC(CCC)C2	0.04
2256-17-9	O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2N(CC)CC(CCC)C2	1.02
2257-09-2	C(=NCCc1ccccc1)=S	3.47
2259-96-3	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C4CC3C=CC4(C3)	1.95
2262-52-4	O=C(OCC)C(=Cc1ccccc1(F))C(=O)OCC	3.04
2265-94-3	O=[N+]([O-])c1cc(F)cc(F)c1	2.03
2270-20-4	O=C(O)CCCCc1ccccc1	2.94
2274-01-3	O=C(N)NC(=O)C(CC)CC	0.91
2274-08-0	O=C(N)NC(=O)CC(C)C	0.45
2274-42-2	N#CCS(=O)(=O)C	-1.42
2274-67-1	O=P(OC(=CCl)c1ccc(cc1Cl)Cl)(OC)OC	3.13
2284-20-0	C(=Nc1ccc(OC)cc1)=S	3.58
2285-16-7	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))C(F)(F)F	3.1
2295-35-4	N1C(CCC1)=S	-0.05
2298-99-9	O=C1C=C(OC(=C1(O))C)C	0.44
2301-40-8	O=C1NCC(=O)N1Cc2ccccc2	0.82
2303-16-4	O=C(N(C(C)C)C(C)C)SCC(=CCl)Cl	4.49
2303-17-5	O=C(N(C(C)C)C(C)C)SCC(=C(Cl)Cl)Cl	4.6
2303-25-5	O=[N+]([O-])c2ccc(Oc1cccc(c1)C)cc2	4.4
2307-68-8	O=C(Nc1ccc(c(c1)Cl)C)C(C)CCC	4.31
2310-17-0	O=C2Oc1cc(ccc1N2CSP(OCC)(OCC)=S)Cl	4.38
2312-35-8	O=S(OCC#C)OC2CCCCC2(Oc1ccc(cc1)C(C)(C)C)	5
2314-09-2	O=C(OCCCC)C2(O)(c3ccccc3(c1ccccc12))	3.7
2314-79-6	O=C2N(c1ccc(cc1)C)C(=O)CC2	0.58
2314-80-9	O=C2N(c1ccc(OC)cc1)C(=O)CC2	0.15
2315-68-6	O=C(OCCC)c1ccccc1	3.01
2316-26-9	O=C(O)C=Cc1ccc(OC)c(OC)c1	2.34
2316-64-5	Oc1ccc(cc1CO)Br	1.72
2327-02-8	O=C(N)Nc1ccc(c(c1)Cl)Cl	2.65
2338-10-5	n1[nH]nc2c1c(c(c(c2Cl)Cl)Cl)Cl	4.17
2338-12-7	O=[N+]([O-])c1ccc2[nH]nnc2(c1)	1.95
2338-25-2	FC(F)(F)c1nc2cc(c(cc2([nH]1))Cl)Cl	3.49
2338-27-4	FC(F)(F)c2nc1c(cc(c(c1Cl)Cl)Cl)[nH]2	3.87
2338-30-9	FC(F)(F)c1nc2c([nH]1)c(c(c(c2Br)Br)Br)Br	4.81
2338-31-0	FC(F)(F)c2nc1c(cccc1Cl)[nH]2	2.93
2345-34-8	O=C(O)c1ccc(OC(=O)C)cc1	1.48
2348-74-5	O=C1C=C(NC(=O)C)C(=O)c2ccccc12	1.29
2348-81-4	O=C1C=C(N)C(=O)c2ccccc12	1.77
2348-82-5	O=C1C=C(OC)C(=O)c2ccccc12	1.35
2362-62-1	NC(c1ccc(cc1)C)=S	2.01
2362-64-3	O(c1ccc(cc1)C(N)=S)C	1.63
2364-46-7	O=[N+]([O-])c2cc1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-]	2.3
2364-50-3	O=C(Nc1ccccc1)CC(C)C	2.51
2365-30-2	O=NN(C(=O)N)CCCl	0.57
2366-52-1	FCCCC	2.58
2373-80-0	O=C(O)C=Cc1ccc2OCOc2(c1)	2.59
2373-84-4	O=C1NC(=O)C(C(=O)N1)(CC=C)CC	0.95
2374-03-0	O=C(O)c1ccc(N)c(O)c1	0.5
2380-78-1	Oc1ccc(cc1(OC))CCO	0.47
2385-77-5	O=CCC(C)CCC=C(C)C	3.83
2385-85-5	C13(C4(C2(C5(C(C1(C2(Cl)Cl)Cl)(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	7.18
2387-16-8	c1ccc(cc1)C(c2ccccc2)C(Cl)Cl	4.51
2388-47-8	O=P(Oc1cc(c(cc1Cl)Cl)Cl)(OC)NC(C)CC	3.99
2389-37-9	O=C(Nc1ccccc1)c2cc(ccc2(O))[N+](=O)[O-]	3.66
2392-68-9	C(=Nc1cccc(c1)Cl)=S	3.36
2398-37-0	O(c1cccc(c1)Br)C	3.03
2400-00-2	c1ccc(cc1)C(CC)CCCCCCCCC	8.1
2402-77-9	n1cccc(c1Cl)Cl	2.11
2402-78-0	n1c(cccc1Cl)Cl	2.15
2402-79-1	n1c(c(cc(c1Cl)Cl)Cl)Cl	3.32
2403-22-7	c1ccc(cc1)CNCCCC	2.59
2404-73-1	O=P(OCCCC)(OCCCC)C	3.26
2410-24-4	O=C(O)C(N)Cc1ccc(N)cc1	-2.2
2416-94-6	Oc1c(ccc(c1C)C)C	2.67
2424-02-4	C=CCNCC	0.81
2425-06-1	O=C1N(C(=O)C2CC=CCC12)SC(C(Cl)Cl)(Cl)Cl	3.8
2425-10-7	O=C(Oc1ccc(c(c1)C)C)NC	2.09
2426-08-6	O(CCCC)CC1OC1	0.63
2427-90-9	O=C(OCC)c1nccnc1(C(=O)OCC)	0.65
2431-96-1	O=C(N(CC)CC)Cc1ccccc1	2.4
2436-66-0	O=C1c2ccccc2(N=CN1C)	0.69
2437-49-2	Oc1c(cc(c(O)c1Br)Br)Br	4.37
2437-79-8	c1cc(cc(c1c2ccc(cc2Cl)Cl)Cl)Cl	6.29
2438-05-3	O=C(O)c1ccc(cc1)CCC	3.42
2438-72-4	O=C(NO)Cc1ccc(OCCCC)cc1	2.08
2438-76-8	O=S(=O)(N)c1cnccc1	-0.49
2439-01-2	O=C2Sc1nc3ccc(cc3(nc1S2))C	3.78
2439-77-2	O=C(N)c1ccccc1(OC)	0.86
2440-79-1	O=C(OC)C(NC(=O)C)Cc1ccc(O)cc1	0.33
2443-62-1	O=C(NN)CCCCC	0.48
2444-89-5	O(c1ccc(cc1)Cl)c2ccc(cc2)Cl	5.25
2446-62-0	O=C1c3ccccc3(N=C2N1CCCC2)	1.52
2447-57-6	O=S(=O)(Nc1ncnc(OC)c1(OC))c2ccc(N)cc2	0.7
2450-08-0	O=C(OC)c1ncncc1	-0.27
2454-39-9	Nc1ccccc1C(N)=S	0.99
2455-15-4	O(c1cccc(c1)C)CCN(C)C	2.05
2457-47-8	n1cc(cc(c1)Cl)Cl	2.56
2457-76-3	O=C(O)c1ccc(N)cc1Cl	1.33
2459-07-6	O=C(OC)c1ncccc1	0.36
2459-09-8	O=C(OC)c1ccncc1	0.87
2460-49-3	Oc1cc(c(cc1(OC))Cl)Cl	3.26
2463-84-5	O=[N+]([O-])c1ccc(OP(OC)(OC)=S)c(c1)Cl	3.58
2466-76-4	O=C(n1cncc1)C	-0.34
2474-50-2	O=C1Nc2cc(c(cc2(NC1(=O)))C)C	1.34
2481-53-0	O=C(C=Cc1cccc(F)c1)C	2.25
2486-02-4	O=C(OCCC(C)C)c1cc(O)c(O)c(O)c1	2.8
2486-52-4	O=C(O)c1ccc(N)cc1Br	1.49
2486-70-6	O=C(O)c1ccc(N)c(c1)C	1.37
2486-75-1	O=C(O)c1ccc(N)cc1C	1.14
2486-77-3	O=C(O)c1ccc(N)cc1(OCC=C)	1.25
2486-79-5	O=C(O)c1ccc(N)cc1(OCCC)	1.53
2486-80-8	O=C(O)c1ccc(N)cc1(OC)	0.45
2488-78-0	O=C1OCC(=C1)C3CCC4(O)(C5CCC2CC(OS(=O)(=O)O)CCC2(C)C5(CCC34(C)))	-0.18
2489-77-2	N(C(N(C)C)=S)C	0.1
2492-87-7	O=[N+]([O-])c2ccc(OC1OC(CO)C(O)C(O)C1(O))cc2	-0.34
2495-37-6	O=C(OCc1ccccc1)C(=C)C	2.53
2497-06-5	O=S(=O)(CC)CCSP(OCC)(OCC)=S	1.87
2497-07-6	O=S(CC)CCSP(OCC)(OCC)=S	1.73
2498-66-0	O=C1c4ccccc4(C(=O)c2c3ccccc3(ccc12))	4.4
2504-18-9	O=NN(C)C(C)(C)C	0.81
2510-86-3	O=P(Oc1ccccc1)(OCC)OCC	1.64
2511-10-6	O=P(OCC)(C)SCC	0.71
2511-17-3	O=P(N(C)C)(N(C)C)C	-0.67
2513-25-9	O1c2ccccc2(C=CC1(C)C)	3.31
2516-95-2	O=C(O)c1cc(ccc1[N+](=O)[O-])Cl	2.13
2516-96-3	O=C(O)c1cc(ccc1Cl)[N+](=O)[O-]	2.03
2518-42-5	[O-][n+]1onc(c1C)C	0.23
2518-72-1	O=C1NC(=O)C(C(=O)N1)CC	-0.35
2519-75-7	c1cc(c(cc1NCCN(CC)CC)Cl)C	4.14
2521-24-6	NC(c1ccc(cc1)Cl)=S	2.4
2524-52-9	O=C(OCC)c1ncccc1	0.87
2525-05-5	Oc1ccc(cc1(O))CCCC	2.96
2527-99-3	O=C(OC)c1oc(cc1)Br	1.84
2528-36-1	O=P(Oc1ccccc1)(OCCCC)OCCCC	4.27
2530-26-9	O=[N+]([O-])c1cnccc1	0.6
2531-84-2	c1ccc3c(c1)ccc2cc(ccc23)C	4.86
2534-77-2	C1CC2CC1CC2Br	3.54
2537-29-3	O=C1NC(=O)C(C(=O)N1)(CC=C)CC(O)C	-0.05
2539-17-5	Oc1c(OC)c(c(c(c1Cl)Cl)Cl)Cl	4.59
2539-26-6	Oc1c(OC)c(c(c(c1(OC))Cl)Cl)Cl	3.74
2540-82-1	O=CN(C(=O)CSP(OC)(OC)=S)C	1.48
2550-28-9	O=C(C)CCC#C	0.58
2553-19-7	O(CC)[Si](OCC)(c1ccccc1)c2ccccc2	4.92
2557-81-5	FS(F)(F)(F)(F)c1ccccc1	3.36
2565-47-1	O=C1NC(=O)CC(=O)N1C	-0.85
2571-81-5	O=C1OC2C(C1(=C))CCC(C)C3(O)(CCC(=O)C23(C))	0.83
2581-34-2	O=[N+]([O-])c1ccc(O)cc1C	2.48
2588-03-6	O=S(CC)CSP(OCC)(OCC)=S	1.78
2588-06-9	O=P(OCC)(OCC)SCS(=O)(=O)CC	1.98
2589-65-3	O=C(Oc1ccc(c(c1)C)Cl)NC	2.57
2593-15-9	n1c(nsc1OCC)C(Cl)(Cl)Cl	3.37
2594-17-4	O=C(OCCCCC)NC	1.96
2597-03-7	O=C(OCC)C(c1ccccc1)SP(OC)(OC)=S	3.69
2598-29-0	O=C(Oc1cccc2cccnc12)C	2.03
2600-69-3	O=P(OCC)(OCC)SCSCC	2.07
2603-10-3	O=C(OC)Nc1ccccc1	1.75
2604-08-2	O=[N+]([O-])C=Cc1ccc(cc1)N(C)C	2.67
2617-79-0	O=CNc1ccc(cc1)Cl	2.04
2618-96-4	O=S(=O)(NS(=O)(=O)c1ccccc1)c2ccccc2	0.52
2620-53-3	O=C(Oc1ccc(cc1)Cl)NC	2.01
2620-63-5	O=C(N)CNC(=O)C	-1.83
2622-07-3	O=P(N(CC)CC)(N(CC)CC)N(CC)CC	2.53
2622-26-6	N#Cc1ccc3c(c1)N(c2ccccc2S3)CCCN4CCC(O)CC4	3.52
2623-33-8	O=C(Oc1ccc(cc1)NC(=O)C)C	1.05
2626-81-5	O=C(Oc1ccccc1C(C)(C)C)NC	2.65
2626-83-7	O=C(Oc1ccc(cc1)C(C)(C)C)NC	3.06
2627-77-2	O=C(Nc1ccc(cc1)Br)c2ccccc2(O)	4.51
2628-58-2	c1ccc(cc1)C(N(c2ccccc2)C)=S	3.12
2629-72-3	OCCCc1ccncc1	0.58
2631-30-3	O=C(Oc1ccc(cc1)CC)NC	2.23
2631-37-0	O=C(Oc1cc(cc(c1)C(C)C)C)NC	3.1
2631-39-2	O=C(Oc1cccc(c1)N(C)C)NC	1.43
2631-40-5	O=C(Oc1ccccc1C(C)C)NC	2.31
2631-42-7	O=C(Oc1ccccc1CC)NC	1.93
2636-26-2	N#Cc1ccc(OP(OC)(OC)=S)cc1	2.71
2642-71-9	O=C1c2ccccc2(N=NN1CSP(OCC)(OCC)=S)	3.4
2642-98-0	Nc1cc3c4ccccc4(ccc3(c2ccccc12))	4.99
2644-96-4	O=C(OC)CNC(=O)c1ccc(cc1)[N+](=O)[O-]	0.98
2646-26-6	O=C(NN)Nc1ccc(cc1)Br	1
2648-00-2	O=C1Nc3ccc(F)cc3(C(=NC1)c2ccccc2)	2.32
2648-01-3	O=C1Nc3ccccc3(C(=NC1)c2ccccc2(F))	2.38
2652-13-3	O([Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C	8.3
2652-77-9	O=C3N(c1ccccc1)N(c2ccccc2)C(=O)C3	1.45
2655-14-3	O=C(Oc1cc(cc(c1)C)C)NC	2.23
2664-63-3	Oc1ccc(cc1)Sc2ccc(O)cc2	3.34
2668-24-8	Oc1c(OC)cc(c(c1Cl)Cl)Cl	3.72
2670-77-1	O(c1ccc(cc1C)SC)P(OCC)(OCC)=S	4.16
2686-99-9	O=C(Oc1cc(c(c(c1)C)C)C)NC	2.66
2687-91-4	O=C1N(CC)CCC1	-0.04
2687-96-9	O=C1N(CCC1)CCCCCCCCCCCC	4.2
2688-84-8	O(c1ccccc1)c2ccccc2(N)	2.46
2689-07-8	O(c1ccccc1)c2ccccc2Cl	4.45
2689-47-6	O=C(Oc1cccc(c1)C(=O)C)N(C)C	1.18
2693-46-1	Nc2ccc4c1ccccc1c3cccc2c34	4.2
2696-84-6	Nc1ccc(cc1)CCC	2.4
2700-22-3	N#CC(C#N)=Cc1ccccc1	2.18
2702-58-1	O=C(OC)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	1.84
2706-22-1	O=C(NNC(=O)C)Nc1ccc(cc1)Br	1.38
2706-56-1	n1ccccc1CCN	0.08
2709-56-0	FC(F)(F)c1ccc4c(c1)C(=CCCN2CCN(CCO)CC2)c3ccccc3S4	4.34
2715-70-0	n2cnc1c(ncn1CCCC)c2N	1.25
2719-08-6	O=C(OC)c1ccccc1(NC(=O)C)	1.65
2719-21-3	O=C(Nc1ccc(cc1)C(=O)C)C	1.24
2719-23-5	O=C(Nc1nccs1)C	0.76
2719-61-1	c1ccc(cc1)C(C)CCCCCCCCCC	8.19
2719-62-2	c1ccc(cc1)C(CCCCC)CCCCCC	8.01
2719-63-3	c1ccc(cc1)C(CCCC)CCCCCCC	8.01
2719-64-4	c1ccc(cc1)C(CCC)CCCCCCCC	8.07
2724-69-8	c1ccc(cc1)NC(NC)=S	0.85
2728-04-3	O=C(c1ccccc1C)N(CC)CC	2.02
2728-05-4	O=C(c1ccc(cc1)C)N(CC)CC	2.38
2730-67-8	FC(F)(F)CNC	0.55
2740-94-5	c1ccc(cc1)CNC(NC)=S	1.35
2741-06-2	c1ccc(cc1)NC(NCC)=S	1.42
2741-14-2	c1ccc(cc1)CNC(N(C)C)=S	1.59
2745-25-7	N#CCc1occc1	0.85
2752-68-3	O=C(Oc1cc(c(cc1Cl)Cl)C)NC	3
2756-85-6	O=C(O)C1(N)(CCCCC1)	-1.87
2757-10-0	O=C(C=Cc1ccccc1)NC	1.81
2759-71-9	O=C(Nc1ccc(c(c1)Cl)Cl)C2CC2	3.83
2763-96-4	O=C1C=C(ON1)CN	-2.39
2772-46-5	O(c1cc(c(cc1(OC))Cl)Cl)C	3.11
2782-91-4	C(N(C)C)(N(C)C)=S	0.49
2784-27-2	O=C1NC(=O)C(N1)(c2ccccc2)c3ccc(O)cc3	1.7
2786-62-1	O=C2N(c1ccccc1S2)C	1.98
2790-16-1	O=C(Nc1ccc(c(c1)Cl)Cl)C2(C)(CC2)	3.63
2797-37-7	O=C(OCc1ccc(cc1)Cl)NC	2.42
2797-51-5	O=C1C(N)=C(C(=O)c2ccccc12)Cl	2.12
2798-54-1	O=C(Oc1cc(ccc1C(C)(C)C)C)NC	3.14
2799-07-7	O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3	2.06
2801-68-5	O(c1ccc(OC)c(c1)CC(N)C)C	1.72
2809-69-0	C(C#CC)#CC	2.24
2810-04-0	O=C(OCC)c1cccs1	2.33
2816-24-2	O=[N+]([O-])c2ccccc2(OC1OC(CO)C(O)C(O)C1(O))	-0.78
2826-25-7	N#CC(C#N)=Cc1ccc(cc1)C	2.4
2827-47-6	n1c(nc(nc1N(C)C)N(C)C)N	1.2
2835-68-9	O=C(N)c1ccc(N)cc1	-0.41
2845-79-6	O=C(N)NNC(=O)c1ccccc1	-0.5
2845-89-8	O(c1cccc(c1)Cl)C	2.98
2847-30-5	n1ccnc(c1OC)C	1.24
2854-98-0	O=S(=O)(N)c2cc1c(N=C(NS1(=O)(=O))CCCCC)cc2Cl	2.01
2854-99-1	O=S(=O)(N)c2cc1c(N=C(NS1(=O)(=O))CCC)cc2Cl	1.21
2859-67-8	OCCCc1cnccc1	0.6
2859-68-9	OCCCc1ncccc1	0.58
2862-51-3	O=C1NC(C(=O)NC1Cc2ccccc2)Cc3ccccc3	1.59
2870-04-4	c1cc(c(c(c1)C)CC)C	4.28
2872-48-2	O=C1c3ccccc3(C(=O)c2c(N)c(OC)cc(N)c12)	3.5
2872-52-8	O=[N+]([O-])c2ccc(N=Nc1ccc(cc1)N(CC)CCO)cc2	4.3
2880-58-2	O=C1C=CC(=O)C(OC)=C1	-0.06
2882-20-4	n1ccnc(c1C)SC	1.81
2886-65-9	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl	2.7
2891-09-0	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))N(C)C)C	2.63
2894-61-3	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))Br	3.11
2894-67-9	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))Cl	3.15
2894-68-0	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2Cl))Cl)C	3.12
2896-70-0	O=C1CC(N(O)C(C)(C)C1)(C)C	0.12
2898-08-0	O=C1Nc3ccccc3(C(=NC1)c2ccccc2)	2.18
2898-12-6	N3=C(c1ccccc1)c2cc(ccc2N(C)CC3)Cl	4.41
2904-53-2	OCCNc1nc(nc(n1)Cl)NC(C)C	0.78
2905-65-9	O=C(OC)c1cccc(c1)Cl	2.85
2916-31-6	O1CCOC1(C)C	0.46
2917-98-8	O1CC1CN2CCN(CC2)CC3OC3	-0.84
2921-88-2	n1c(OP(OCC)(OCC)=S)c(cc(c1Cl)Cl)Cl	4.96
2922-40-9	O=C(O)C(N)Cc1ccc(cc1)[N+](=O)[O-]	-1.25
2924-27-8	FC(F)(F)CN(c1ccccc1)CC(F)(F)F	3.69
2933-44-0	OC(COc1cccc(c1)C)CNC(C)C	1.93
2933-75-7	OCCNc1ccccc1(OC)	1.5
2955-38-6	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)CC4CC4	3.73
2961-50-4	n1ccc(cc1)CCCCC	3.75
2971-22-4	c1ccc(cc1)C(c2ccccc2)C(Cl)(Cl)Cl	4.87
2973-27-5	N#Cc1ccnc2ccccc12	1.98
2973-78-6	O=Cc1ccc(O)c(c1)Br	1.83
2974-90-5	c1cc(cc(c1)Cl)c2ccc(cc2)Cl	5.15
2974-92-7	c1ccc(cc1)c2ccc(c(c2)Cl)Cl	5.29
2976-32-1	O=[N+]([O-])c1cccc(c1)S(=O)(=O)C	0.5
2979-53-5	O=C(Oc1cccc(c1)[N+](=O)[O-])CNC(=O)c2ccccc2	2.46
2979-54-6	O=C(Oc1ccccc1)CNC(=O)c2ccccc2	2.31
2987-53-3	Nc1ccccc1SC	1.2
2989-17-5	O=C(OC)COc1ccccc1C	2.08
2989-98-2	O=C(N)Nc1cccc(c1)Br	2.08
2990-01-4	O=C(N(c1ccccc1)c2ccccc2)N(C)C	2.8
3000-74-6	n1cccc(c1)CCCCNC	0.91
3000-75-7	n1cccc(c1)CNCC	0.76
3006-96-0	O=C(O)c1ccc(cc1)CO	0.93
3011-34-5	O=Cc1ccc(O)c(c1)[N+](=O)[O-]	1.48
3012-37-1	N#CSCc1ccccc1	1.99
3023-44-7	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(OC)))Cl	2.63
3034-34-2	N#Cc1ccc(cc1)C(=O)N	0.48
3034-38-6	O=[N+]([O-])c1nc[nH]c1	-0.06
3034-41-1	O=[N+]([O-])c1ncn(c1)C	-0.44
3034-42-2	O=[N+]([O-])c1cncn1C	0.13
3040-44-6	OCCN1CCCCC1	0.96
3042-22-6	c1ccc(cc1)c2ccc[nH]2	2.76
3055-86-5	N#CCCOc1ccccc1	1.61
3056-17-5	O=C1NC(=O)N(C=C1C)C2OC(C=C2)CO	-0.72
3056-59-5	O=C(Oc1ccccc1CC)C	2.42
3056-60-8	O=C(Oc1cccc(c1)CC)C	2.45
3056-73-3	O=C(C=Cc1ccccc1)Nc2ccccc2	3.61
3060-89-7	O=C(Nc1ccc(cc1)Br)N(OC)C	2.38
3066-90-8	Oc1cc(c(O)c(OC)c1(OC))C	1.05
3070-13-1	O=P(Oc1ccc(cc1)SC)(OCC)OCC	2.79
3070-15-3	O(c1ccc(cc1)SC)P(OCC)(OCC)=S	4.16
3077-12-1	OCCN(c1ccc(cc1)C)CCO	1.09
3085-54-9	O=CNc1ccc(cc1)C	1.61
3093-23-0	FC(F)(F)c1ccc3c(c1)N(c2ccccc2S3)CCCN4CCN(CCOCCO)CC4	4.49
3097-21-0	O=C2N(c1ccccc1N2C)C	1.46
3112-85-4	O=S(=O)(c1ccccc1)C	0.5
3112-88-7	O=S(=O)(c1ccccc1)Cc2ccccc2	2.05
3115-28-4	O=C(O)C(CCCC)CCCC	3.2
3116-76-5	O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2c(cccc2Cl)Cl)C3SC4(C)(C)	2.91
3117-02-0	O=C1C=CC(=O)C(OC)=C1(OC)	0.34
3117-05-3	O=C1C=C(OC)C(=O)C(OC)=C1(OC)	0.22
3117-06-4	O=C1C(OC)=C(OC)C(=O)C(OC)=C1(OC)	0.41
3118-68-1	N#Cc1cccc(c1)S(=O)(=O)N	0.24
3119-02-6	N#Cc1ccc(cc1)S(=O)(=O)N	0.23
3123-89-5	O=C1C=C3C(=CC=C1(N))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C)	0.3
3125-63-1	Oc1cccc(N=C=S)c1	3.23
3125-64-2	C(=Nc1cccc(OC)c1)=S	3.68
3125-78-8	N#Cc1cccc(N=C=S)c1	3.13
3126-90-7	O=C(OCCCC)c1cccc(c1)C(=O)OCCCC	4.26
3132-64-7	O1CC1CBr	0.85
3140-74-7	n1c(nc(nc1N(C)C)Cl)N(C)C	2.31
3140-93-0	c1csc(c1Br)Br	3.53
3141-42-2	c1ccc(cc1)C3(c2ccccc2)(CC3(Cl)Cl)	4.88
3146-39-2	O2C3C1CCC(C1)C23	1.58
3149-01-7	O=C(NC(C)C)NS(=O)(=O)c1ccccc1	1.34
3149-28-8	n1ccnc(OC)c1	0.73
3150-53-6	N#Cc1ccc(n1CCO)[N+](=O)[O-]	0.6
3153-44-4	O=C(O)CCC(=O)c1ccc(OC)cc1	1.38
3156-34-1	O=[N+]([O-])C=Cc1ccccc1Cl	2.85
3156-35-2	O=[N+]([O-])C=Cc1cccc(c1)Cl	2.57
3156-39-6	O=[N+]([O-])C=Cc1ccccc1[N+](=O)[O-]	1.8
3156-41-0	O=[N+]([O-])C=Cc1ccc(cc1)[N+](=O)[O-]	1.89
3156-44-3	O=[N+]([O-])C=Cc1cccc(O)c1	2.07
3160-35-8	O=C(C=Cc1ccc(O)cc1)C	1.86
3160-38-1	O=C(C=Cc1ccc(cc1)C)C	2.65
3160-40-5	O=C(C=Cc1ccc(cc1)Cl)C	2.8
3163-07-3	O=[N+]([O-])c1ccc(O)cc1(O)	1.05
3178-22-1	CC(C)(C)C1CCCCC1	5.04
3179-08-6	O=[N+]([O-])C=Cc1ccc(O)cc1	2.12
3179-09-7	O=[N+]([O-])C=Cc1cccc(OC)c1	2.37
3179-10-0	O=[N+]([O-])C=Cc1ccc(OC)cc1	2.2
3199-61-9	O=C(OCC)c1oc2ccccc2(c1)	3.05
3201-53-4	O=C(NC(=O)c1ccccc1)NC	1.27
3208-16-0	o1cccc1CC	2.4
3209-22-1	O=[N+]([O-])c1cccc(c1Cl)Cl	3.05
3211-40-3	O=S(=O)(N)c3cc1c(N=C(NS1(=O)(=O))Cc2ccccc2)cc3Cl	1.7
3215-24-5	O=C2N6c1ccc(N)cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67)	0.54
3229-00-3	C(C(CBr)(CBr)CBr)Br	3.99
3235-02-7	ON=Cc1ccc(cc1)C	2.4
3237-22-7	N#CC(C#N)=Cc1occc1	1.4
3245-23-6	O=C(Oc1ccc(cc1)CC)C	2.56
3253-62-1	O=C1OCC(=C1)C3CCC4(O)(C5CCC6(O)(CC(OC2OC(C)C(O)C(O)C2(O))CCC6(CO)(C5(CCC34(C)))))	-0.62
3256-99-3	O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2C	-0.32
3261-53-8	O=COC6CC7(O)(C8CCC4CC(OC3OC(C)C(OC2OC(C)C(OC1OC(C)C(O)C(O)C1)C(O)C2)C(O)C3)CCC4(C)C8(CCC7(C)(C6(C5=CC(=O)OC5))))	2.04
3261-62-9	NCCc1ccc(cc1)C	1.83
3267-78-5	O=C(O[Sn](CCC)(CCC)CCC)C	1.68
3268-87-9	O1c3c(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl	8.2
3271-01-0	O=S(=O)(Nc1ncc(cn1)CC)c2ccc(N)cc2	0.9
3274-28-0	O=C(O)C(CCC)CCCC	3.01
3290-92-4	O=C(OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)CC)C(=C)C	4.39
3290-99-1	O=C(NN)c1ccc(OC)cc1	0.25
3296-90-0	OCC(CO)(CBr)CBr	1.06
3307-39-9	O=C(O)C(Oc1ccc(cc1)Cl)C	2.31
3316-09-4	O=[N+]([O-])c1ccc(O)c(O)c1	1.66
3324-76-3	O=C1C=CC=CC(O)=C1	0.81
3326-88-3	O=C1C=CSS1	0.82
3337-71-1	O=C(OC)NS(=O)(=O)c1ccc(N)cc1	-0.27
3343-19-9	Oc1ccc(cc1(O))C(O)CO	-1.01
3343-22-4	O=C(OCC2OC(N1C=C(F)C(=O)NC1(=O))CC2(OC(=O)CCC))CCC	1.9
3347-22-6	N#CC2=C(C#N)SC=1C(=O)c3ccccc3(C(=O)C=1S2)	2.84
3354-37-8	c1ccc(cc1)C2=CSSC2=S	3.2
3354-39-0	C1(=C(C)SSC1=S)C	2.45
3354-40-3	C1=C(C)SSC1=S	1.89
3354-41-4	C1=C(C(=S)SS1)C	2.18
3354-42-5	c1ccc2c(c1)C(=S)SS2	3.57
3357-42-4	n1nc([nH]c1)c2ccccc2	1.54
3360-41-6	OCCCCc1ccccc1	2.35
3366-95-8	O=[N+]([O-])c1cnc(n1CC(O)C)C	0.22
3373-86-2	O=C(Oc1ccccc1[N+](=O)[O-])N(C)C	1.35
3376-24-7	[O-][N+](=Cc1ccccc1)C(C)(C)C	1.26
3380-34-5	Oc2cc(ccc2(Oc1ccc(cc1Cl)Cl))Cl	4.76
3382-56-7	O=[N+]([O-])c1ccc(cc1)C(C)(C)C	3.89
3383-96-8	O(c1ccc(cc1)Sc2ccc(OP(OC)(OC)=S)cc2)P(OC)(OC)=S	5.96
3393-59-7	FC(F)(F)c1nc2c([nH]1)c(cc(c2Cl)Cl)Cl	3.78
3397-78-2	n2nc1ccccc1c(OC)c2	1.41
3416-05-5	O=C1NC(=O)N(C=C1C)C2OC(CO)CC2	-0.6
3416-26-0	O=C(Nc1c(cccc1C)C)CN2CCN(CC2)CCCC(c3ccc(F)cc3)c4ccc(F)cc4	5.6
3424-93-9	O=C(N)c1ccc(OC)cc1	0.86
3435-28-7	n1cnc(cc1N)C	0.19
3438-46-8	n1cnc(cc1)C	0.16
3438-48-0	n1cnc(cc1)c2ccccc2	1.92
3441-01-8	N#Cc1cccc(c1)C(=O)N	0.52
3445-76-9	c1ccc(cc1)C2=CC(=S)SS2	3.67
3453-64-3	O=C1OC(c2ccccc12)C	1.41
3454-07-7	C=Cc1ccc(cc1)CC	4.19
3456-79-9	O=C3Nc1ccccc1C3(c2ccccc2)	2.59
3467-29-6	c1cc(ccc1C2=CSSC2=S)C	3.73
3467-32-1	O=C1C(=CSS1)c2ccccc2	2.64
3469-69-0	n1cc(c[nH]1)I	1.7
3475-63-6	O=NN(C(=O)N(C)C)C	0.36
3476-50-4	O=C1C=C3C(=CC=C1(OC))c2c(OC)c(OC)c(OC)cc2CCC3(N)	1.1
3478-94-2	O=C(OCCCN1CCCCC1C)c2ccc(c(c2)Cl)Cl	4.31
3481-20-7	Nc1c(c(cc(c1Cl)Cl)Cl)Cl	4.1
3483-39-4	O1CC1C2CCCCC2	2.43
3485-14-1	O=C(O)C3N2C(=O)C(NC(=O)C1(N)(CCCCC1))C2SC3(C)(C)	1.31
3489-59-6	N#Cc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3	1.8
3490-37-7	O=C(C=Cc1ccc(cc1)[N+](=O)[O-])C	1.9
3510-70-1	CCC[Si](C)(C)C	3.84
3530-82-3	O=C1NC(=O)C(N1)Cc2ccccc2	0.6
3538-65-6	O=C(NN)CCC	-0.62
3544-24-9	O=C(N)c1cccc(N)c1	-0.33
3544-35-2	O=C(NNC(C)C)COc1ccc(cc1)Cl	2.02
3547-33-9	OCCSCCCCCCCC	3.64
3550-21-8	C(=NC(c1ccccc1)c2ccccc2)=S	5.09
3555-18-8	O=[N+]([O-])c1cc(ccc1(O))C(C)CC	3.84
3558-69-8	n1c(cccc1c2ccccc2)c3ccccc3	4.82
3566-00-5	O=C(Oc1ccc(c(c1)C)SC)NC	2.47
3567-38-2	O=C(OC(C#C)c1ccccc1)N	1.59
3567-62-2	O=C(Nc1ccc(c(c1)Cl)Cl)NC	2.94
3567-84-8	N=1C(=NC(N(C=1N)c2ccc(cc2)Br)(C)C)N	1.09
3572-34-7	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)NCC	1.98
3585-93-1	[O-][N+](=Cc1ccc(OC)cc1)c2ccccc2	1.94
3593-96-2	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCC	4.48
3599-76-6	n1c(nc(nc1C(Cl)(Cl)Cl)SC)C(Cl)(Cl)Cl	4.42
3615-21-2	FC(F)(F)c2nc1c(ccc(c1Cl)Cl)[nH]2	3.49
3619-01-0	O=C(OC)C(NC(=O)C)CC	-0.17
3619-02-1	O=C(OC)C(NC(=O)C)C	-0.57
3619-17-8	O=C(NN)C(C)C	-0.63
3619-22-5	O=C(NN)c1ccc(cc1)C	0.72
3625-25-0	O=C1NC(=O)C(C(=O)N1)(C2=CC3CCC(C2)C3)CC	2.53
3626-62-8	O=C(N1CCCCC1)Cc2ccccc2	2.44
3642-85-1	O=C4C=C3C(C)CC1C(C(=O)CC2(C)(C(C(=O)C)CCC12))C3(C)CC4	2.75
3663-20-5	O=C(Nc1ccc(cc1)CCCC)C	3.3
3663-21-6	O=C(Nc1ccc(cc1[N+](=O)[O-])CCCC)C	3.1
3663-34-1	O=C(Nc1ccc(cc1)CC)C	2.2
3671-60-1	FC(F)(F)c1nc2cc(ccc2([nH]1))Br	3.57
3679-63-8	O=C(Nc1ccc(cc1)Cl)c2ccccc2(O)	4.5
3679-64-9	O=C(Nc1ccc(cc1)Cl)c2cc(ccc2(O))Br	5.02
3681-78-5	O=C(OCCC)CCCCCCCCCCC	6.11
3688-53-7	O=C(N)C(=Cc1oc(cc1)[N+](=O)[O-])c2occc2	0.15
3688-82-2	O=C(c1ccccc1(OCC))N(CC)CC	2.5
3689-24-5	O(CC)P(OCC)(OP(OCC)(OCC)=S)=S	3.99
3689-50-7	O=S3(=O)(c1ccccc1N(c2ccccc23)CC(C)CN(C)C)	2.51
3690-04-8	O=C2C(NC(=O)C(N(C)C)C)=C(N(N2(c1ccccc1))C)C	-0.05
3690-53-7	O=C(NCCN(CC)CC)c1ccccc1	1.99
3694-52-8	O=[N+]([O-])c1cccc(N)c1(N)	1.27
3695-86-1	N#CC(=Cc1occc1)C(=O)OC	1.65
3701-01-7	O=S(=O)(N)c1cccc(c1)S(=O)(=O)N	-0.55
3704-09-4	O=C4C=C3CC(C)C2C(CCC1(C)(C2(CCC1(O)(C))))C3CC4	3.19
3707-98-0	O=C1C(=C(C=NN1c2ccccc2)N(C)C)Cl	1.55
3722-12-1	N#CC(C#N)=NNc1ccc(cc1)[N+](=O)[O-]	2.37
3724-16-1	O=C(N)Cc1cnccc1	-0.71
3724-65-0	O=C(O)C=CC	0.72
3731-51-9	n1ccccc1CN	-0.21
3731-52-0	n1cccc(c1)CN	-0.32
3734-48-3	C1=CC2C(C1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl	5.57
3735-01-1	O(c1ccc(N)cc1)P(OCC)(OCC)=S	2.6
3736-81-0	O=C(Oc1ccc(cc1)N(C(=O)C(Cl)Cl)C)c2occc2	2.24
3737-09-5	O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C	2.58
3739-38-6	O=C(O)c2cccc(Oc1ccccc1)c2	3.91
3739-82-0	n1cccnc1OCC	0.74
3740-92-9	n1c(nc(cc1Cl)Cl)c2ccccc2	4.17
3741-15-9	O=[N+]([O-])c2ccnc1ccccc12	2.06
3758-59-6	O=C(NN)c1ccnc(c1)C	-0.37
3759-90-8	O=C1OCC(=O)N1c2ccccc2	0.93
3760-54-1	O=CN1CCCC1	-0.32
3761-48-6	O=C(NCCN(CC)CC)c1ccc(N)cc1(OC)	1.4
3766-60-7	O=C(Nc1ccc(cc1)Cl)N(C)C(C#C)C	3
3766-81-2	O=C(Oc1ccccc1C(C)CC)NC	2.78
3766-82-3	O=C(Oc1ccc(c(c1)C)C(C)C)NC	3.11
3769-57-1	O=[N+]([O-])c2ccc(N=Nc1ccc(cc1C)N(CCO)CCO)c(c2)Cl	4.3
3770-50-1	O=C(OCC)c1cc2ccccc2([nH]1)	3.22
3771-14-0	O=S(=O)(O)c1cc(O)c2ccccc2(c1)	-0.18
3772-76-7	O=S(=O)(Nc1nc(nc(OC)c1)C)c2ccc(N)cc2	0.61
3775-60-8	n1nc(oc1)N	-1.44
3775-61-9	n1nc(oc1N)CC	-0.3
3778-73-2	O=P1(OCCCN1(CCCl))(NCCCl)	0.86
3780-85-6	N#CC(C#N)=NNc1c(cccc1Cl)Cl	4.51
3786-76-3	O=C1OCC(C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CCC67(C)))	2.9
3811-49-2	O2c1ccccc1COP2(OC)=S	2.67
3813-05-6	O=C(O)CN2C(=O)Sc1cccc(c12)Cl	1.34
3829-78-5	O=C(N(CC=C)C(C)C)C	1.14
3845-76-9	O=C(C=C)NCCCN(C)C	0
3846-73-9	Oc2cccc1c2(nccc1C)	2.41
3848-36-0	ON=Cc1ccc(cc1)Cl	2.67
3856-05-1	O=C(OCC(C)C)c1cc(O)c(O)c(O)c1	2.46
3858-83-1	N=C(N)c1ccc(N)cc1	-0.37
3861-41-4	N#Cc1cc(c(OC(=O)CCC)c(c1)Br)Br	3.94
3864-49-1	O=C1Nc3ccccc3(C(=NC1)c2cccc(c2)C(F)(F)F)	3.19
3878-19-1	n1c3ccccc3([nH]c1c2occc2)	2.67
3894-63-1	O=C1Nc3ccccc3(C(=NC1)c2ccc(cc2)C(F)(F)F)	3.34
3896-29-5	O=C(Nc1c(F)cccc1(F))C	0.69
3900-31-0	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl)C	2.75
3915-60-4	O=N1CCCCC1SCc2ccccc2	1.24
3922-90-5	O=C4OC(C)C(C)C(O)C(C(=O)C1(OC1)CC(C)C(OC2OC(C)CC(N(C)C)C2(O))C(C)C(OC3OC(C)C(O)C(OC)C3)C4C)C	1.69
3926-67-8	Oc1ccc3c(c1)N(c2cc(ccc2S3)Cl)CCCN(C)C	4.63
3930-20-9	O=S(=O)(Nc1ccc(cc1)C(O)CNC(C)C)C	0.24
3930-83-4	O=C(N)c1ccccc1I	0.93
3938-20-3	O=C(Oc1cccc(OC(C)C)c1)NC	1.96
3938-24-7	O=C(Oc1ccccc1(OC))NC	0.81
3938-28-1	O=C(Oc1cccc(OC)c1)NC	1.3
3938-29-2	O=C(Oc1ccc(OC)cc1)NC	1.2
3938-34-9	O=C(Oc1ccc(cc1)SC)NC	1.92
3942-51-6	O=C(Oc1ccc(cc1)C(C)CC)NC	3.2
3942-54-9	O=C(Oc1ccccc1Cl)NC	1.64
3942-71-0	O=C(Oc1cc(ccc1C(C)C)C)NC	2.84
3956-07-8	O=C(N)c1ccc(cc1)I	1.99
3957-74-2	O=C(Oc1ccc(cc1)NC(=O)C(Cl)Cl)C	1.9
3964-58-7	O=C(O)c1ccc(O)c(c1)Cl	2.41
3964-81-6	n1cccc3c1C(c2ccccc2CC3)=C4CCN(C)CC4	3.59
3971-99-1	O=C(Oc1cc(ccc1C)C)NC	2.03
3978-68-5	O=C(Oc1cccc(OCCCC)c1)NC	2.96
3978-69-6	O=C(Oc1ccc(OCCCC)cc1)NC	2.86
3988-76-9	O=C(C=Cc1occc1)c2occc2	2.34
3994-23-8	N#CC(=NNc1ccccc1Cl)C(=O)OCC	3.38
4001-73-4	O=C(N)c1ccccc1Br	0.77
4005-51-0	n1nc(N)sc1	-0.57
4008-48-4	O=[N+]([O-])c2ccc(O)c1ncccc12	1.99
4016-11-9	O(CC)CC1OC1	0.36
4022-58-6	N=1C(=NC(N(C=1N)c2ccccc2)(C)C)N	0.28
4043-23-6	O=C(Oc1cccc(c1)CC)NC	2.2
4052-30-6	O=C(O)c1ccc(cc1)S(=O)(=O)C	0.67
4053-42-3	O=N2c1ccc(cc1CCC2)C	0.95
4054-88-0	OC1C2CC3C1C3(C2(O))	-0.42
4070-75-1	O=C(C=CC(=O)c1ccccc1)c2ccccc2	3.16
4075-58-5	O=C(OCC)C(=O)c1cccs1	1.77
4081-02-1	Oc1ccc(cc1)C(c2ccccc2)c3ccc(O)cc3	4.3
4089-04-7	O=C(Oc1ccc2ccccc2(c1))NC	2.56
4089-99-0	O=C(Oc1ccc(cc1)C(C)C)NC	2.57
4090-00-0	O=C(Oc1cccc(c1)Cl)NC	2.03
4093-35-0	O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))Br	2.83
4093-42-9	O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))[N+](=O)[O-]	2.11
4094-38-6	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)C	2.4
4096-20-2	c1ccc(cc1)N2CCCCC2	2.98
4096-21-3	c1ccc(cc1)N2CCCC2	3.56
4101-68-2	C(CCCCCBr)CCCCBr	6.12
4104-75-0	NC(N(c1ccccc1)C)=S	0.85
4119-41-9	c1ccc(cc1)CCCI	3.9
4122-57-0	O=C1OC(OC)c2ccccc12	1
4143-63-9	O=C1C=C(Oc2ccccc12)c3ccc(O)cc3	3.2
4144-64-3	O=C(O)Cn2nnc1ccccc12	-1.88
4147-51-7	n1c(nc(nc1NC(C)C)SCC)NC(C)C	3.81
4151-47-7	O=C(Nc1ccc(O)c(c1)C(C)(C)C)C	2.36
4201-24-5	N(=C1NCCN1)c2c(cccc2Cl)C	1.71
4201-33-6	N(=C1NCCN1)c2c(cc(cc2Cl)C)Cl	1.92
4201-34-7	N(=C1NCCN1)c2c(cc(cc2Cl)Cl)C	2.38
4201-36-9	N(=C1NCCN1)c2c(cc(cc2Cl)C)C	2.1
4201-38-1	N(=C1NCCN1)c2c(cc(cc2C)Cl)C	2.5
4201-40-5	N(=C1NCCN1)c2c(cc(cc2C)C)C	2.32
4202-14-6	O=C(C)CP(=O)(OC)OC	-0.86
4205-93-0	N(=C1NCCN1)c2c(cccc2Br)Br	1.96
4214-76-0	O=[N+]([O-])c1cnc(N)cc1	0.65
4224-00-4	O=C3NC(c1ccccc1)(c2ccccc2)C(=O)N3C	2.28
4228-88-0	FC(F)(F)c2nc1c(cc(cc1Cl)Cl)[nH]2	3.49
4228-89-1	FC(F)(F)c1nc2c([nH]1)c(ccc2Cl)Cl	2.87
4233-61-8	O=C(O)C(n2nnc1ccccc12)(C)C	-0.2
4238-66-8	n1ccc3c(c1)cc2c4ccccc4([nH]c2c3C)	4.06
4241-40-1	O=C1NC(=O)C(C(=O)N1)(CC)C(C)CC(O)C	0.35
4248-18-4	O=C(O)CC(n1nc2ccccc2(n1))C	0.34
4248-19-5	O=C(OC(C)(C)C)N	0.48
4248-20-8	O=C(OCCCCCCC)N	2.36
4249-64-3	OC(c1ccccc1)CN(CC)CC	2.02
4261-14-7	n3cnc1c(ncn1Cc2ccccc2)c3N	1.7
4265-25-2	o1c2ccccc2(cc1C)	3.22
4267-05-4	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(Cl)(Cl)Cl	0.82
4275-43-8	NC(Cc1ccccc1)Cc2ccccc2	3.35
4282-40-0	CCCCCCCI	4.7
4284-51-9	O=S(=O)(Nc1ccc(cc1)Cl)C	1.85
4290-62-4	O=C(OC(COc1cccc2ccccc12)CNC(C)C)C	4.34
4300-27-0	C(#CC#CC)C#Cc1ccccc1	4.91
4304-12-5	OCC2OC(OCc1ccccc1)C(O)C(O)C2(O)	-0.7
4314-66-3	O=C(NCC)c1cnccc1	0.31
4318-15-4	O=C1C(=CSS1)CC	1.9
4335-90-4	O=C(C(=Cc1ccccc1)C(=O)C)C	1.59
4343-96-8	OCCCCCc1ccncc1	1.39
4346-64-9	c1ccc(cc1)[Se]C	2.87
4351-48-8	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)C)C4(C)(CC(O)C23(F)))(C)	3.09
4351-59-1	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)C)C4(C)(CC(=O)C23(F)))(C)	3.09
4358-63-8	O=S(=O)(Oc1ccccc1)c2ccccc2	3.06
4360-12-7	OC1N5C3CC(C1(CC))C6C(O)C4(c2ccccc2N(C)C34)(CC56)	1.81
4368-68-7	n1nn(cc1)Cc2ccccc2	1.27
4371-23-7	O=S(=O)(N)c1ccc(cc1)c2ccccc2	2.24
4376-18-5	O=C(O)c1ccccc1(C(=O)OC)	1.13
4383-07-7	Oc1ccc(cc1CO)C	0.97
4388-79-8	O=C1NC(NC(=O)C1(CC)CCC(C)C)=S	2.98
4394-00-7	O=C(O)c2cccnc2(Nc1cccc(c1)C(F)(F)F)	4.43
4406-41-1	O=C(Nc1ccccc1)C(C)C	1.95
4412-35-5	O=C2c3cccc(c3(OC(c1ccccc1)=C2C))CC=C	4.67
4412-91-3	OCc1cocc1	0.3
4423-58-9	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C	-0.03
4425-56-3	N#CC1=CNC(=O)NC1(=O)	-0.93
4426-79-3	C(=NC(C)CC)=S	2.81
4426-90-8	O=S(=O)(N)c1ccc(cc1)NS(=O)(=O)C	-0.4
4439-24-1	OCCOCC(C)C	0.75
4450-00-4	O=C(OCCCCC)C1=CC(=O)NC(=O)N1	1.62
4450-26-4	O=C(OCCC)C1=CC(=O)NC(=O)N1	1.1
4461-29-4	O=C(N)Cc1cccs1	0.33
4465-61-6	O=C(Oc1ccc(OC)cc1)c2ccc(N)cc2(O)	3.07
4478-92-6	C(=NC(c1ccccc1)C)=S	3.46
4493-18-9	O=C(O)C2N1C(=O)C(NC(=O)CCCCC)C1SC2(C)(C)	2.37
4498-32-2	O=C3c1ccccc1N(c2ccccc2N3CCN(C)C)C	2.5
4513-94-4	N#Cc1ccc[nH]1	1.13
4514-53-8	n1c(nc(nc1N)c2ccc(cc2)Cl)N	2.33
4514-54-9	n1c(nc(nc1N)c2cccc(c2)Cl)N	2.33
4521-28-2	O=C(O)CCCc1ccc(OC)cc1	2.33
4525-75-1	O=C(Oc1ccccc1Cl)C	2.18
4531-54-8	O=[N+]([O-])c1ncn(c1(N))C	-1
4534-49-0	c1ccc(cc1)C(CCCCC)CCCCCCC	8.56
4534-50-3	c1ccc(cc1)C(CCCC)CCCCCCCC	8.56
4534-51-4	c1ccc(cc1)C(CCC)CCCCCCCCC	8.62
4534-52-5	c1ccc(cc1)C(CC)CCCCCCCCCC	8.65
4534-53-6	c1ccc(cc1)C(C)CCCCCCCCCCC	8.77
4534-55-8	c1ccc(cc1)C(CCCCC)CCCCCCCC	9.16
4534-56-9	c1ccc(cc1)C(CCCC)CCCCCCCCC	9.16
4534-57-0	c1ccc(cc1)C(CCC)CCCCCCCCCC	9.25
4534-58-1	c1ccc(cc1)C(CC)CCCCCCCCCCC	9.29
4534-59-2	c1ccc(cc1)C(C)CCCCCCCCCCCC	9.29
4536-86-1	c1ccc(cc1)C(CCC)CCCCCCC	7.59
4536-87-2	c1ccc(cc1)C(CC)CCCCCCCC	7.53
4536-88-3	c1ccc(cc1)C(C)CCCCCCCCC	7.63
4537-11-5	c1ccc(cc1)C(CCCC)CCCCC	6.9
4537-12-6	c1ccc(cc1)C(CCC)CCCCCC	7
4537-13-7	c1ccc(cc1)C(C)CCCCCCCC	7.06
4537-14-8	c1ccc(cc1)C(CCCCC)CCCCC	7.45
4537-15-9	c1ccc(cc1)C(CCCC)CCCCCC	7.45
4537-73-9	n1cccnc1C(N)=S	-0.34
4546-55-8	O=C(Nc3ncnc1c3(ncn1C2OC(CO)C(O)C2(O)))c4ccccc4	-0.1
4546-70-7	OCC3OC(n2cnc1c(nc(nc12)N)N)CC3(O)	-0.52
4546-72-9	O=C(Nc3ncnc1c3(ncn1C2OC(CO)C(O)C2))c4ccccc4	0.22
4548-15-6	O=[N+]([O-])c2cnc(c1ccc(F)cc1)n2CCO	1.33
4549-44-4	O=NN(CC)CCCC	1.63
4551-72-8	O=C(N)c1ccc[nH]1	0.09
4551-76-2	O=C(N)c1cc(c(c(c1)[N+](=O)[O-])C)[N+](=O)[O-]	0.68
4559-87-9	O=C(N)N(c1ccccc1)C	0.42
4562-36-1	O=C1OCC(=C1)C6C(O)CC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CCC67(C)))	1.67
4563-33-1	O=S(=O)(N)Cc1ccccc1	0.13
4564-87-8	O=CCC3CC(C(=O)C=CC4OC4(CC(OC(=O)CC(OC(=O)C)C(OC)C3(OC2OC(C)C(OC1OC(C)C(OC(=O)CC(C)C)C(O)(C)C1)C(N(C)C)C2(O)))C))C	3.04
4568-93-8	O=C(OCCCCC)c1cc(O)c(O)c(O)c1	2.67
4570-41-6	n1c(oc2ccccc12)N	1.53
4570-45-0	n1ccoc1N	-0.18
4595-59-9	n1cncc(c1)Br	0.72
4595-60-2	n1cccnc1Br	0.5
4597-87-9	n1ccccc1NC	1.12
4598-39-4	O=C(OCC(C)C)C1=CC(=O)NC(=O)N1	1.01
4608-25-7	O=C(NN)c1ccnc(c1)CC	0.12
4609-10-3	O=C(O)CCCC(=O)c1ccc(OC)cc1	1.63
4620-70-6	OCCNC(C)(C)C	0.41
4621-36-7	c1ccc(cc1)C(CC)CCCCCCC	7
4621-66-3	n1cccc(c1)C(N)=S	0.67
4637-59-6	O=N2c1ccccc1C(CC2)Cl	1.08
4638-48-6	O=C(Nc1ccccc1)c2cc(ccc2(O))Cl	4.05
4653-73-0	N=1C(=NC(N(C=1N)c2ccc(cc2)CCCC)(C)C)N	2.66
4655-34-9	O=C(OC(C)C)C(=C)C	2.25
4658-28-0	[N-]=[N+]=Nc1nc(nc(n1)SC)NC(C)C	3
4671-97-0	O=C(Nc1ccccc1)CN2CCCCC2	2.71
4678-45-9	OC2CC1C(O)(C)C4CCC3C(O)C4(CC(O)C1(O)C2(C)(C))(CC3(O)(C))	0.27
4684-94-0	O=C(O)c1nc(ccc1)Cl	1.5
4697-36-3	O=C(O)C(C(=O)NC2C(=O)N1C(C(=O)O)C(C)(C)SC12)c3ccccc3	1.13
4699-82-5	O=C1Nc3ccc(cc3(C(=NC1C)c2ccccc2))Cl	3.33
4756-30-3	OCC2OC(Oc1ccc(cc1)Cl)C(O)C(O)C2(O)	0.26
4759-24-4	O=C(O)C3N2C(=O)C(NC(=O)C(O)c1ccccc1)C2SC3(C)(C)	1.4
4764-17-4	O1c2ccc(cc2(OC1))CC(N)C	1.64
4770-31-4	O=C1OC(c2ccccc12)(CC)CC	2.69
4774-14-5	n1cc(nc(c1)Cl)Cl	1.53
4774-15-6	n1cc(nc(OC)c1)OC	1.58
4774-24-7	n1c3ccccc3(ccc1N2CCNCC2)	2.04
4780-24-9	O=C(O)C3N2C(=O)C(NC(=O)C(Oc1ccccc1)(C)C)C2SC3(C)(C)	2.76
4780-79-4	OCc2cccc1ccccc12	2.37
4783-68-0	n1ccccc1Oc2ccccc2	2.39
4793-56-0	O=C(OCC)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N	2.67
4794-83-6	N(c1ccc(cc1C)C)=C2NCCN2	1.79
4795-31-7	O=P(O)(Oc1ccc(cc1)Cl)Oc2ccc(cc2)Cl	2.64
4796-68-3	O=C(OC2C1C=CC2(C=C1))c3ccccc3	3.03
4799-59-1	O=P(Oc1ccc(c(c1)C)SC)(OCC)OCC	3.28
4812-20-8	Oc1ccccc1(OC(C)C)	2.09
4824-78-6	O(c1cc(c(cc1Cl)Br)Cl)P(OCC)(OCC)=S	6.15
4826-22-6	O=C(O)CCC1=NS(=O)(=O)c2ccccc2(N1)	-0.18
4826-24-8	O=C(O)CCCC1=NS(=O)(=O)c2ccccc2(N1)	-0.15
4836-13-9	O=C1N=C(C=CN1C2OC(CO)C(O)C2)NC(=O)c3ccccc3	0.67
4837-88-1	O=[N+]([O-])c1cccc(OC)c1C	2.68
4838-65-7	O=C1N(CCC1)CCCCCC	2.6
4849-32-5	O=C(Oc1cccc(c1)NC(=O)N(C)C)NC(C)(C)C	1.66
4849-46-1	O=C(Nc1cccc(O)c1)N(C)C	0.51
4871-13-0	O=C1NC(=O)N(C=C1(F))Cc2ccccc2	0.89
4871-30-1	O=C(OC)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]	2.05
4888-33-9	O=C3Nc1ccccc1C(c2ccccc2)C3	2.79
4891-98-9	n1cc(c(nc1N)N)Cc2cc(OC)c(OCCC)cc2Br	2.84
4894-75-1	O=C2CCC(c1ccccc1)CC2	2.3
4897-25-0	O=[N+]([O-])c1ncn(c1Cl)C	1.06
4897-31-8	O=[N+]([O-])c1c(ncn1C)Cl	0.69
4901-51-3	Oc1cc(c(c(c1Cl)Cl)Cl)Cl	4.21
4914-62-9	O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1CO)c2ccccc2)C3SC4(C)(C)	1.8
4917-89-9	O=C(O)COc1ccc(cc1)C(C)CC	3.12
4919-33-9	O=C(O)Cc1ccc(OCC)cc1	1.95
4920-77-8	O=[N+]([O-])c1c(O)cccc1C	2.29
4925-19-3	O=C(NCCN(CC)CC)c1cc(F)cc(c1(OC))Cl	3.18
4928-02-3	O=C1Nc3ccc(N)cc3(C(=NC1)c2ccccc2)	1
4930-03-4	O=C(Oc1ccccc1)Nc2ccccc2	3.3
4932-53-0	O=C(NCCC)NS(=O)(=O)c1ccccc1	1.44
4940-11-8	O=C1C=COC(=C1(O))CC	0.63
4940-39-0	O=C(O)C=1Oc2ccccc2(C(=O)C=1)	1.63
4941-45-1	O=C2Nc1c(cc(cc1C)[N+](=O)[O-])C(=NC2)c3ccccc3	2.44
4949-13-7	Fc1nccnc1	0.29
4959-16-4	O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))C	1.46
4964-76-5	n1cccc2ccc(OC)cc12	2.37
4965-26-8	O=[N+]([O-])c2ccc1c(ccs1)c2	2.92
4975-21-7	n1onc(c1C)C	0.71
4980-73-8	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2[N+](=O)[O-]))[N+](=O)[O-]	1.61
5001-33-2	Oc1ccc(cc1(OC))C(O)CNC	-0.64
5003-48-5	O=C(Oc1ccc(cc1)NC(=O)C)c2ccccc2(OC(=O)C)	2.15
5004-45-5	O=C2NN=C(c1ccccc1)c3ccccc23	2.48
5006-67-7	O=[N+]([O-])c1nccn1CCO	-0.47
5006-90-6	O=C(Nc1ccc(c(c1)Cl)Cl)NCC(C)C	4.48
5018-16-6	O=S(=O)(Nc1ncnc(OC)c1(OC(C)C))c2ccc(N)cc2	1.03
5018-56-4	O=S(=O)(Nc1ncnc(OCC)c1(OC))c2ccc(N)cc2	1.18
5021-43-2	n1cc(nc2ccccc12)c3ccccc3	3.48
5048-08-8	c1cc(ccc1C2=CCN(C)CC2)Cl	3.32
5049-61-6	n1ccnc(N)c1	-0.07
5053-43-0	n1cccnc1C	-0.05
5075-92-3	O=C1N(C)C(C)CC1	-0.07
5102-79-4	O=C1c4ccccc4(C(=NN)C1C(=O)C(c2ccccc2)c3ccccc3)	3.62
5103-73-1	C2(=C(C3(C1C(C(C(C1Cl)Cl)Cl)C2(C3(Cl)Cl)Cl)Cl)Cl)Cl	6.22
5104-49-4	O=C(O)C(c1ccc(c(F)c1)c2ccccc2)C	4.16
5108-54-3	O=S2(=O)(NC(=Nc1c(cc(cc12)Cl)Br)C)	1.65
5124-25-4	O=[N+]([O-])c2cc(ccc2(Nc1ccccc1))S(=O)(=O)Nc3ccccc3	4.6
5131-24-8	O=C1c2ccccc2(C(=O)N1P(OCC)(OCC)=S)	3.48
5131-60-2	Nc1ccc(c(N)c1)Cl	0.85
5152-83-0	n2nc1ccccc1c(N)c2	1.04
5162-44-7	C=CCCBr	2.53
5182-90-1	O=C(N)c1nc2ccccc2(nc1)	0.98
5183-78-8	O=S(=O)(NC)c1ccccc1	0.92
5192-03-0	Nc1ccc2[nH]ccc2(c1)	0.7
5194-50-3	C(C=CC)=CC	2.91
5213-49-0	O=[N+]([O-])c1nc([nH]c1)[N+](=O)[O-]	0.2
5213-50-3	O=[N+]([O-])c1nc(n(c1)C)[N+](=O)[O-]	-0.17
5215-26-9	O=C(Nc1ccccc1(F))Cc2ccccc2	2.62
5215-27-0	O=C(Nc1cccc(F)c1)Cc2ccccc2	3.1
5215-28-1	O=C(Nc1ccc(F)cc1)Cc2ccccc2	2.86
5221-42-1	O=C(Nc1ccncc1)C	0.5
5231-96-9	O=C(Nc1ncccc1)C	0.61
5234-26-4	O=C(Nc1ccccc1C(=O)C)C	1.5
5234-68-4	O=C(Nc1ccccc1)C2=C(OCCS2)C	2.14
5240-72-2	OCC2CC1CCC2(C1)	1.99
5250-39-5	O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2c(F)cccc2Cl)C3SC4(C)(C)	2.58
5251-93-4	O=C(O)CONC(=O)c1ccccc1	-0.27
5259-86-9	O=C(OC)CNC(=O)c1ccc(N)cc1	-0.23
5259-88-1	O=C(Nc1ccccc1)C2=C(OCCS2(=O)(=O))C	0.74
5263-87-6	n1cccc2cc(OC)ccc12	2.2
5264-15-3	OCCCCc1ccncc1	0.9
5270-94-0	n1cnc(OC)cc1OC	0.96
5284-99-1	OCC2OC(OC1CCCCC1)C(O)C(O)C2(O)	-0.63
5285-87-0	N#CSc1ccccc1	2.54
5292-53-5	O=C(OCC)C(=Cc1ccccc1)C(=O)OCC	3.13
5296-64-0	C=CCSc1ccccc1	3.51
5297-05-2	O=C1OCC(=C1)C5CCC6(O)(C7CCC4CC(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)CCC4(C)C7(CC(O)C56(C)))	1.2
5297-10-9	O=C1OCC(C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(O)C67(C)))	1.36
5305-00-0	O=C2ON(c1ccccc1)C(=O)C2	0.54
5307-14-2	O=[N+]([O-])c1cc(N)ccc1(N)	0.53
5319-71-1	O=C1c2ccccc2(N=CN1(O))	-0.45
5326-47-6	O=C(O)c1cc(ccc1(N))I	2.06
5327-00-4	O=C(NCC)CBr	0.34
5330-38-1	Oc1ccc(cc1CO)Cl	1.44
5332-25-2	n1cccc2cc(ccc12)Br	2.83
5334-39-4	O=[N+]([O-])c1c[nH]nc1C	1.02
5335-75-1	n1ccc(cc1)CCCC	3.13
5344-27-4	OCCc1ccncc1	0.1
5344-49-0	O=C(O)c1c(cccc1Cl)[N+](=O)[O-]	1.56
5345-54-0	O(c1ccc(N)cc1Cl)C	1.85
5346-38-3	n1ccccc1C(N)=S	1.24
5348-42-5	Nc1cc(c(cc1(N))Cl)Cl	2
5348-75-4	O=C(O)COc1ccccc1c2ccccc2	2.83
5350-57-2	N(N)=C(c1ccccc1)c2ccccc2	2.79
5351-17-7	O=C(NN)c1ccc(N)cc1	-0.75
5351-23-5	O=C(NN)c1ccc(O)cc1	-0.33
5352-63-6	O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2)CCC3(C)C6(CC(O)C45(C)))	1.09
5355-16-8	n1cc(c(nc1N)N)Cc2ccc(OC)c(OC)c2	0.97
5358-34-9	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2C))Cl)C	3.03
5358-35-0	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2C))Cl	3.12
5358-92-9	O=C1Nc3ccc(cc3(C(=NC1)c2cccc(OC)c2))Cl	3.14
5358-96-3	O=C1Nc3ccc(OC)cc3(C(=NC1)c2ccccc2)	2.24
5363-32-6	O=C(N)c1ccccc1(NC(C)C)	2.07
5363-33-7	O=C(N)c1ccccc1(NCCCC)	2.33
5380-42-7	O=C(OC)c1cccs1	1.83
5382-47-8	O=C(NN)c1ccc2ncccc2(c1)	0.35
5398-11-8	O=C2OC(c1ccccc1)c3ccccc23	2.64
5401-94-5	O=[N+]([O-])c1ccc2[nH]ncc2(c1)	2.03
5405-53-8	O=[N+]([O-])c2ccc3c1ccc(cc1Cc3(c2))[N+](=O)[O-]	3.35
5406-33-7	O=C(OCc1ccc(cc1)Cl)C	2.59
5407-61-4	OC(c1ccccc1)CN2CCCC2	1.38
5415-68-9	O=C(Nc1cc(F)cc(c1Cl)C(F)(F)F)C	2.86
5416-18-2	O=C1C(OC)=C(C(=O)c2ccccc12)C	2.14
5417-50-5	O=C(Nc1cnc2ccccc2(c1))C	1.92
5418-93-9	n1c(N)[nH]c2cc(ccc12)Cl	1.88
5419-96-5	N(=Cc1occc1)NC(N)=S	1.64
5422-81-1	O=C(C=Cc1ccccc1)N2CCCCC2	2.74
5424-05-5	n1cc(nc2ccccc12)N	1.5
5424-19-1	O=C(c1cnccc1)c2ccccc2	1.88
5428-54-6	O=[N+]([O-])c1ccc(c(O)c1)C	2.47
5429-42-5	O=C(Nc1ccc(cc1)C)CN2CCCCC2	2.96
5432-28-0	O=NN(C)C1CCCCC1	1.43
5432-53-1	O=C(C=Cc1ccc(cc1)N(C)C)C	2.66
5438-19-7	O=C(O)c1ccc(OCCC)cc1	3.09
5446-77-5	O=C(OCC)c1ccc(cc1)S(=O)(=O)N	1.17
5446-92-4	O=[N+]([O-])c1cnc(OC)cc1	1.55
5447-87-0	N#CC(C#N)=C(c1ccccc1)C	2.1
5448-36-2	O=C(c1cccc(c1)C)N(C(C)C)C(C)C	3
5448-43-1	n1ccnc2cc(ccc12)Cl	2.1
5450-54-4	O=C(N)c1nnccc1	-0.73
5451-39-8	O=C(N)Cc1ncccc1	-0.65
5451-83-2	O=C(Oc1cccc(OC)c1)C	1.61
5455-59-4	O=[N+]([O-])c1ccccc1S(=O)(=O)N	0.34
5462-24-8	O=C(NCCC)c1ccc(cc1)S(=O)(=O)N	0.51
5465-00-9	O=C(NCC)Cc1ccccc1	1
5469-69-2	n1nc(ccc1N)Cl	0.35
5470-34-8	O=CNc1ccc(OC)cc1	1.03
5470-49-5	O=S(=O)(c1ccc(N)cc1)C	-0.12
5470-96-2	O=Cc1nc2ccccc2(cc1)	2.14
5472-13-9	OC(c1ccccc1)c2ccccc2C	3.06
5493-24-3	O=C(OCN1C(=O)c2ccccc2(C1(=O)))C	1.15
5500-21-0	N#CC1CC1	0.68
5510-99-6	Oc1c(cccc1C(C)CC)C(C)CC	4.36
5519-23-3	O=C(O)c1ccc(OCCCCCCCCCC)cc1	6.29
5521-56-2	n1cc(nc(c1)C)N	0.35
5522-43-0	O=[N+]([O-])c4ccc1ccc2cccc3ccc4(c1c23)	5.06
5532-90-1	O=C(OCCC)Nc1ccccc1	2.8
5536-17-4	OCC3OC(n2cnc1c(ncnc12)N)C(O)C3(O)	-1.11
5541-67-3	Oc1ccc(c2cccnc12)C	2.37
5558-66-7	O=C(O)C(c1ccccc1)(c2ccccc2)C	2.69
5571-62-0	O=C2Nc1c(cc(cc1C)C)C(=NC2)c3ccccc3	2.94
5571-63-1	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))C	2.62
5581-75-9	O=C(O)CCCCCc1ccccc1	3.27
5585-14-8	[O-][n+]3onc(c1ccccc1)c3(c2ccccc2)	3.64
5588-16-9	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))CSCC=C	1.17
5593-20-4	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)(CC(O)C23(F)))(C)	4.07
5594-16-1	O=C(Nc1nc(cnc1)C)C	0.38
5602-96-0	O=C(OC)Nc1ccc(cc1)C	2.29
5621-02-3	n1cccnc1N(C)C	1.07
5632-47-3	O=NN1CCNCC1	0.18
5638-76-6	n1ccccc1CCNC	0.68
5663-74-1	O=C(NC(=O)c1ccccc1(O))c2ccccc2	1.38
5666-21-7	C=CCNCCC	1.33
5673-07-4	O(c1cccc(OC)c1C)C	2.87
5681-57-2	O=C(NO)NCCCC	0.32
5683-33-0	n1ccccc1N(C)C	1.65
5692-23-9	O=C(NCCCCN)c1ccccc1	0.58
5710-11-2	O=C(NO)NCC	-0.76
5710-12-3	O=C(NO)NCCC	-0.22
5715-02-6	N#Cc1ccccc1(OC(=O)C)	1.33
5722-68-9	O=[N+]([O-])c1ccc(O)cc1C(C)(C)C	3.65
5725-96-2	ON(C)C	-1.15
5728-21-2	n1c(c(ns1)C)C	1.28
5739-82-2	O=C(OC)C=COc1ccccc1	2.68
5741-22-0	OC(COc1ccccc1(OC))CNC(C)C	1.69
5765-44-6	n1oc(cc1)C	0.45
5785-06-8	O=C(NN)c1cccc(OC)c1	0.4
5794-03-6	C=C2C1CCC(C1)C2(C)C	4.22
5813-86-5	O=C(N)c1cccc(OC)c1	0.85
5813-89-8	O=C(N)c1cccs1	0.52
5813-92-3	O=C(N)C=Cc1ccc2OCOc2(c1)	1.4
5814-05-1	O=C(NN)c1ccccc1Cl	0.14
5818-06-4	O=C(NN)c1cccc(O)c1	-0.08
5819-21-6	O=C(Oc1ccc(cc1)[N+](=O)[O-])NC	1.47
5830-33-1	O=C(N(C)C)CC1CCCCC1	2.19
5841-62-3	O=C1OC(C(=O)N1)Cc2ccccc2	1.2
5841-63-4	O=C1OC(C(=O)N1)c2ccccc2	1.09
5841-66-7	O=C1OC(C(=O)N1C)c2ccccc2	1.06
5867-45-8	O=C(Nc1cnccc1)C	0.41
5884-48-0	O=C(O)Cc2ccc(OCc1ccccc1)c(c2)Br	3.51
5888-34-6	OC1CC2CCC1C2(O)	0.4
5900-55-0	O=C(Nc1cc(ccc1C)Cl)C	1.82
5902-51-2	O=C1NC(=C(C(=O)N1C(C)(C)C)Cl)C	1.89
5910-89-4	n1ccnc(c1C)C	0.54
5915-41-3	n1c(nc(nc1NC(C)(C)C)Cl)NCC	3.21
5933-32-4	O=C(NN)c1ccc(cc1)Br	1.28
5944-41-2	n1ccccc1C(C)(C)C	2.4
5945-41-5	O=C1OC2CC(C)C3C=CC(=O)C3(C)(C(O)C2(C1(=C)))	0.62
5945-42-6	O=C1OC2CC(C)C3C=CC(=O)C3(C)(CC2(C1(=C)))	1.17
5957-75-5	Oc1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC	7.41
5974-93-6	O=C1C=CN(C(=O)N1)C2OC(C=C2)CO	-1.07
5980-06-3	O=C2NC(c1cnccc1)CC2	-0.3
5983-08-4	O=C1NC(C(=CN1C2OC(C=C2)CO)C)=S	0.09
5983-09-5	O=C1C=CN(C(=O)N1)C2OC(CO)CC2	-1
6032-29-7	OC(C)CCC	1.19
6032-32-2	OCC2OC(Oc1ccc(OC)cc1)C(O)C(O)C2(O)	-0.73
6051-53-2	O=C(C=Cc1ccccc1(O))C	2.19
6059-31-0	n2ccc(Nc1ccc(OC)cc1)c3ccc(cc23)Cl	4.94
6066-49-5	O=C1OC(c2ccccc12)CCCC	2.8
6083-47-2	O=C(N)c1ccc(cc1)N(C)C	1.14
6091-81-2	O=C1c2ccccc2(C=NN1C)	0.61
6092-24-6	OCC2OC(Oc1ccccc1(OC))C(O)C(O)C2(O)	-1.04
6092-25-7	OCC2OC(Oc1cccc(c1)C)C(O)C(O)C2(O)	-0.2
6104-41-2	n1cnc(OC)cc1	0.54
6108-74-3	O=C(NCCCN)c1ccccc1	0.3
6125-24-2	O=[N+]([O-])CCc1ccccc1	2.08
6125-89-9	C12(=C(CCCCC1)SSC2=S)	3.27
6125-90-2	C1(=C(CC)SSC1=S)C	2.95
6130-75-2	O(c1cc(c(cc1Cl)Cl)Cl)C	3.85
6132-21-4	O=C(Oc1cccc(c1)[N+](=O)[O-])NC	1.39
6136-68-1	N#Cc1cccc(c1)C(=O)C	1.16
6140-12-1	O=C(Nc1ccccc1C(=O)C)C(Cl)Cl	2.65
6141-18-0	n1cc2ccccc2(nc1SC)	2.5
6141-57-7	O=C(OC)c1occc1C	1.51
6146-52-7	O=[N+]([O-])c1ccc2[nH]ccc2(c1)	2.53
6149-23-1	O=C1c3ccccc3(C(=O)C1c2cccc(OC)c2)	2.88
6154-30-9	O=[N+]([O-])c1[nH]c(nc1Br)Br	2.82
6164-77-8	O=C(OC)c1nccnc1(C(=O)OC)	-0.02
6164-79-0	O=C(OC)c1nccnc1	-0.23
6164-98-3	N(=CN(C)C)c1ccc(cc1C)Cl	2.89
6174-95-4	O=C(OCC)C(C(=O)OCC)=C(C(=O)OCC)C(=O)OCC	2.63
6178-42-3	O=[N+]([O-])C=Cc1ccc(O)c(OC)c1	1.88
6190-65-4	n1c(nc(nc1NC(C)C)Cl)N	1.51
6231-18-1	n1c(OC)cccc1OC	2.3
6236-05-1	O=[N+]([O-])c1oc(C=NO)cc1	0.3
6265-73-2	O=C(NCCO)c1cnccc1	-0.11
6270-45-7	O=C1NC(=O)C(C(=O)N1C)(CC)CCC(C)C	2.45
6280-88-2	O=C(O)c1ccc(cc1[N+](=O)[O-])Cl	2.08
6281-23-8	O=C(O)C=Cc1oc(cc1)[N+](=O)[O-]	0.68
6282-02-6	O=C(NCO)c1ccccc1	0.4
6285-68-3	n1c(N)[nH]c2cc(ccc12)C	1.11
6292-90-6	O=C(OCCCC)C(N)Cc1ccc(O)cc1	1.8
6293-55-6	O=C1C=C(C(=O)C(=C1)Br)C	1.21
6293-56-7	OCCc1cnccc1	0.12
6298-37-9	n1ccnc2cc(N)ccc12	0.9
6304-27-4	n1ccccc1CCN(C)C	1.12
6304-39-8	O=C(NN)CCCCCCC	1
6306-24-7	O=C(N)c1ccc(cc1)S(=O)(=O)N	-0.83
6306-25-8	O=C(O)c1ccc(cc1)NC(=O)N	0.73
6310-41-4	O=C(Nc1ccccc1SC)C	1.53
6312-87-4	O=C(Nc2ccc(Oc1ccccc1)cc2)C	3.13
6317-89-1	O=C(Oc1cccc(c1)NC(=O)C)C	1.03
6321-94-4	N#Cc1ccc(cc1)NC=O	1.08
6324-11-4	O=C(O)COc1ccccc1(O)	0.85
6325-93-5	O=[N+]([O-])c1ccc(cc1)S(=O)(=O)N	0.64
6326-19-8	O=C(OCCc1ccccc1)N	1.5
6333-79-5	O=S(=O)(NC)c1ccc(cc1)Cl	1.92
6335-39-3	O=S(=O)(N)c1ccc(cc1)C(C)C	1.84
6337-56-0	O=C(Nc1c(cc(O)cc1C)C)C	0.31
6339-04-4	O=C(O)COc1cccc(c1)NC(=O)C	0.48
6344-63-4	Nc2cccc3c1ccccc1Cc23	3.18
6358-09-4	O=[N+]([O-])c1cc(N)c(O)c(c1)Cl	1.53
6367-14-2	O=C(NC(C(=O)NC)Cc1ccc(O)cc1)C	-0.32
6415-07-2	O=P(N1CCCC1)(N2CCCC2)N3CCCC3	1.67
6427-66-3	[N-]=[N+]=Nc1ccc(cc1)C(=O)O	2.54
6448-55-1	O=[N+]([O-])c2oc(C=Cc1nc(cs1)C)cc2	1.53
6452-49-9	O(c1ccccc1)c2cccc(c2)Cl	4.75
6452-71-7	OC(COc1ccccc1(OCC=C))CNC(C)C	2.1
6457-92-7	O=C2Oc1c3ccoc3(ccc1C(=C2)C)	2.32
6476-18-2	O=C2NC(=O)C(c1ccccc1)C2(=O)	2.26
6479-18-1	O=C2C=Nc1ccccc1N2C	0.79
6479-24-9	O=C(Nc1nc2ccccc2(nc1))C	1.53
6480-67-7	O=C(N)c1cnc2ccccc2(c1)	1.06
6485-40-1	O=C1C(=CCC(C(=C)C)C1)C	2.71
6493-05-6	O=C2c1c(ncn1C)N(C(=O)N2CCCCC(=O)C)C	0.29
6497-78-5	O=[N+]([O-])c1ncn(c1)CCN2CCOCC2	-0.38
6513-23-1	O=C(N)C(NC(=O)C)CSSCC(NC(=O)C)C(=O)N	-1.7
6514-54-1	O=C(NC2c1ccccc1CC2)CN(CC)CC	2.74
6526-67-6	O=C(c1ccccc1Cl)N(C)C	1.54
6526-72-3	O=[N+]([O-])c1ccccc1C(C)C	3.34
6528-85-4	n1c3ccccc3([nH]c1c2ccccc2(OC))	3.02
6539-57-7	Oc1ccc(cc1(O))C(O)C(N)C	-1.43
6547-53-1	O=C(O)Cc2ccc(OCc1ccccc1)cc2	2.72
6549-64-0	O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)C)C)	4.02
6560-83-4	n1c2ccccc2(ccc1I)	3.04
6574-15-8	O=[N+]([O-])c1ccc(cc1)N2CCCCC2	3.26
6577-34-0	O=C(Nc2ccccc2(c1ccccc1))C3=C(OCCS3)C	2.54
6577-49-7	O(C)C(c1ccccc1)CN2CCCC2	1.88
6577-69-1	O=C(O)C1=C(OCCS1)C	0.04
6587-21-9	FC(F)(F)c1nc2cc(c(cc2([nH]1))Br)Br	4.15
6600-40-4	O=C(O)C(N)CCC	-2.11
6609-40-1	O=[N+]([O-])c1cc2[nH]c(nc2(cc1Cl))C(F)(F)F	3.21
6625-74-7	O=C(Nc1ccccc1)C(C)(C)C	1.99
6626-22-8	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)Br	2.85
6626-84-2	O=C(OC)C(=Cc1ccccc1)C(=O)OC	2.24
6628-97-3	O=C2C=C(Nc1ccccc1)C(=O)c3ccccc23	2.84
6631-37-4	n1ccccc1Nc2ccccc2	2.75
6636-22-2	O=C(O)C(N)Cc1ccc(OC(=O)C)cc1	-1.33
6638-60-4	Nc2ccc3c1ccc(cc1Cc3(c2))Br	3.92
6639-06-1	O=C(O)CCn2ccc1ccccc12	2.2
6639-30-1	c1c(c(cc(c1Cl)Cl)Cl)C	4.56
6640-24-0	c1cc(cc(c1)Cl)N2CCNCC2	2.11
6641-02-7	Oc1c(cc(cc1Cl)Cl)CO	2.3
6642-30-4	O=C(OC)NC	-0.06
6647-92-3	O=C(Nc1cn[nH]c1)C	-0.38
6652-04-6	O=NN2CCC(c1ccccc1)CC2	2.59
6657-33-6	N#CCCN(c2ccc(N=Nc1ccc(cc1Cl)[N+](=O)[O-])cc2)CCO	4
6665-86-7	O=C1C=C(Oc2cc(O)ccc12)c3ccccc3	3.62
6673-35-4	O=C(Nc1ccc(OCC(O)CNC(C)C)cc1)C	0.79
6673-38-7	O=C(Nc1cccc(OCC(O)CNC(C)C)c1)C	0.74
6674-22-2	N1=C2N(CCC1)CCCCC2	1.38
6677-98-1	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CC	2.8
6677-99-2	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC	2.91
6678-00-8	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCC	3.62
6678-14-4	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCCCC	5.49
6723-40-6	O=C1c3ccccc3(C(=O)C1c2ccc(cc2)C(F)(F)F)	3.78
6742-07-0	O=C1N=C(N)C=CN1C2OC(COC(=O)C)C(OC(=O)C)C2(OC(=O)C)	-0.8
6742-54-7	c1ccc(cc1)CCCCCCCCCCC	8.14
6755-13-1	O=C(C=Cc1oc(cc1)[N+](=O)[O-])N(C)C	0.82
6755-16-4	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCC	1.39
6756-33-8	O=[N+]([O-])c2oc(C=Cc1ncc[nH]1)cc2	1.32
6768-20-3	O=C(OCC)C(=Cc1ccccc1Cl)C(=O)OCC	3.15
6768-21-4	O=C(OCC)C(=Cc1cccc(c1)Cl)C(=O)OCC	3.49
6768-22-5	O=C(OCC)C(=Cc1ccccc1(OC))C(=O)OCC	3.29
6768-23-6	O=C(OCC)C(=Cc1ccc(OC)cc1)C(=O)OCC	3.28
6770-38-3	O(C)Cc1ccc(cc1)COC	1.28
6771-54-6	O=C(OCC)C(=Cc1cccc(OC)c1)C(=O)OCC	3.18
6777-05-5	O=C1NC(=O)CN1Cc2ccccc2	0.76
6781-42-6	O=C(c1cccc(c1)C(=O)C)C	1.43
6815-52-7	O=C(NC(=O)C1CCC1)CCC	0.41
6827-40-3	O=C(OCC)C(=Cc1ccc(cc1)Cl)C(=O)OCC	3.96
6829-82-9	O=[N+]([O-])c1ccc(cc1)NS(=O)(=O)c2ccc(N)cc2	2.14
6842-62-2	O(c1ccc(cc1)Cl)c2cccc(c2)Cl	5.13
6850-22-2	O=[N+]([O-])c1ccc2cn(nc2(c1))C	1.76
6853-14-1	OC(c1ccccc1)CN(C)C	1.54
6863-74-7	N#Cc1nc(cnc1)Cl	0.79
6876-65-9	O=C(N(c1ccccc1)c2ccc(cc2)C)C	3.05
6898-86-8	[O-][n+]2onc(c1ccccc1)c2C	2.17
6898-87-9	[O-][n+]2onc(c2(c1ccccc1))C	2.16
6905-47-1	n1cc(nc(N)c1)OC	0.73
6915-15-7	O=C(O)CC(O)C(=O)O	-1.26
6921-29-5	C#CCN(CC#C)CC#C	1.27
6921-83-1	c1cc(ccc1C2=CC(=S)SS2)C	4.26
6924-68-1	O=C(OCC)c1nccnc1	0.28
6926-58-5	NNC(N(C)C)=S	-0.3
6933-10-4	Nc1ccc(c(c1)C)Br	2.53
6935-65-5	O=C(c1cccc(c1)C)N(C)C	1.6
6936-40-9	O(c1c(c(cc(c1Cl)Cl)Cl)Cl)C	4.68
6937-52-6	O=C(c1ccc(cc1)C)N(C(C)C)C(C)C	2.5
6938-06-3	O=C(OCCCC)c1cnccc1	2.27
6943-00-6	O=C2N(c1ccc(cc1)Cl)C(=O)CC2	0.96
6947-77-9	O=C1NC(=O)C2(C(=O)N1)(CC2)	-0.53
6954-35-4	O=[N+]([O-])c1ncn(c1S(=O)(=O)Oc2ccccc2)C	1.08
6960-42-5	O=[N+]([O-])c2cccc1cc[nH]c12	2.63
6961-82-6	O=S(=O)(N)c1ccccc1Cl	0.74
6963-65-1	O=[N+]([O-])c1[nH]cnc1Br	0.85
6963-66-2	O=[N+]([O-])c1[nH]cnc1Cl	0.78
6966-38-7	O=S(=O)(Nc1cccc(c1)NS(=O)(=O)C)C	0.07
6969-90-0	O=C(Oc1ccccc1)N(C)C	1.56
6971-38-6	O=Nc1ccc(O)c(c1)C	1.71
6972-05-0	NC(N(C)C)=S	-0.43
6972-69-6	O=C(c1cnccc1)N(C)C	-0.48
6975-29-7	O=C(Nc1ccc(cc1Cl)Cl)C	2.18
6981-04-0	n1cc(c(nc1N)N)Cc2ccc(OC)c(OC)c2(OC)	1.52
6981-18-6	n1cc(c(nc1N)N)Cc2cc(OC)c(OC)cc2C	1.23
6987-59-3	O=C1OC4(CC1)(CCC3C5CC6(C2=CC(=O)CCC2(C)C5(CCC34(C)))(CC6))	3.15
6988-21-2	O=C(Oc1ccccc1C2OCCO2)NC	0.67
6996-81-2	O(CC)P(OCC)(C)=S	2.08
7005-72-3	O(c1ccccc1)c2ccc(cc2)Cl	4.7
7011-98-5	O=C1OC(c2ccccc12)Cc3ccccc3	3.12
7012-37-5	c1cc(ccc1c2ccc(cc2Cl)Cl)Cl	5.62
7057-48-9	OCC1OC(C=C1)n3cnc2c(ncnc23)N	-0.5
7068-83-9	O=NN(C)CCCC	1.08
7073-42-9	O=C(Nc1ccc(OC)c(c1)Cl)C	1.81
7090-25-7	O=NN(C(=O)Oc1cccc2ccccc12)C	2.85
7090-41-7	c1c2c(cc(c1Cl)Cl)c3cc(c(cc23)Cl)Cl	6.14
7093-67-6	O=C(O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN	-3.31
7101-51-1	O=C(OC)C(N)Cc1ccc(O)c(O)c1	-0.21
7113-30-6	C1=C(C(=S)SS1)CC	2.67
7116-95-2	c1ccc(cc1)c2ccc(cc2)C(C)C	5.51
7145-60-0	n1nc(ccc1N(C)C)Cl	0.98
7146-68-1	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)Cl	2.57
7147-89-9	O=[N+]([O-])c1cc(c(cc1(O))C)Cl	2.93
7149-79-3	O=C(Nc1ccc(c(c1)Cl)C)C	2.69
7151-19-1	O=C(NC)c1cccn1C	0.71
7153-23-3	n1ccnc2cc(c(cc12)C)C	2.29
7154-31-6	O=C(Nc1ccccc1)c2ccc(cc2)C(=O)Nc3ccccc3	3.72
7154-73-6	NCCN1CCCC1	0.08
7159-97-9	O=C(Nc1ccc(cc1)[N+](=O)[O-])N(C)C	1.51
7159-98-0	O=C(Nc1cccc(c1)[N+](=O)[O-])N(C)C	1.46
7160-01-2	O=C(Nc1ccc(cc1)C)N(C)C	1.33
7160-02-3	O=C(Nc1ccc(OC)cc1)N(C)C	0.83
7160-22-7	O=C(Nc1ccc(c(c1)Cl)Cl)C(C)(C)C	3.88
7195-27-9	O=S(=O)(N)c1cc(ccc1Cl)S(=O)(=O)N(C)CC2(OCCC2)(C)	1.54
7203-91-0	O=C(O)c1ccc(N=NN(C)C)cc1	2.33
7205-98-3	O=S(=O)(c1ccccc1)CCl	1.24
7207-62-7	O=C(OCC2OC(N1C=C(F)C(=O)NC1(=O))CC2(OC(=O)CCCC))CCCC	2.72
7209-38-3	NCCCN1CCN(CC1)CCCN	-1.43
7225-96-9	O=C(Oc1cccc(OCC)c1)NC	1.75
7227-91-0	N(=NN(C)C)c1ccccc1	2.59
7234-31-3	OCC2OC(Oc1ccccc1C)C(O)C(O)C2(O)	-0.16
7236-57-9	O=C1NC(C(=CN1C2OC(CO)C(O)C2)C)=S	-0.07
7242-04-8	O=C1OCC(=C1)C6C(OC(=O)C)CC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(OC(=O)C)C(OC(=O)C)C2)C(OC(=O)C)C3)C(OC(=O)C)C4)CCC5(C)C8(CCC67(C)))	3.46
7242-07-1	O=C1OCC(=C1)C6C(OC(=O)C)CC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CCC67(C)))	2.16
7244-70-4	O=C(Oc1ccc(cc1)[N+](=O)[O-])N(C)C	1.5
7244-78-2	O=[N+]([O-])c1ccc(OCCCC)cc1	3.5
7247-89-4	O=NN1CCCCC1C	0.71
7251-61-8	n1cc(nc2ccccc12)C	1.61
7261-97-4	O=C3NC(=O)CN3(N=Cc1oc(cc1)c2ccc(cc2)[N+](=O)[O-])	1.7
7265-01-2	OCC2OC(Oc1ccccc1(N))C(O)C(O)C2(O)	-1.23
7287-19-6	n1c(nc(nc1NC(C)C)SC)NC(C)C	3.51
7287-36-7	O=C(Nc1ccc(cc1)Cl)C(C)(C)CCC	3.83
7290-99-5	O=C(c1cccc(OC)c1)N(C)C	1
7291-00-1	O=C(c1ccc(OC)cc1)N(C)C	0.96
7291-34-1	O=C(c1ccccc1(OC))N(C)C	0.71
7292-16-2	O=P(Oc1ccc(cc1)SC)(OCCC)OCCC	3.67
7295-76-3	n1cccc(OC)c1	0.99
7305-03-5	O=C(Oc1ccc(cc1)Cl)N(C)C	2.27
7305-06-8	O=C(Oc1ccccc1C)N(C)C	1.86
7305-08-0	O=C(Oc1ccc(cc1)C)N(C)C	2.03
7305-10-4	O=C(Oc1ccc(OC)cc1)N(C)C	1.53
7307-04-2	O=C(C)CC(=O)C(C)(C)C	1.67
7319-45-1	n1cc(c(nc1N)N)Cc2ccccc2	1.58
7320-97-0	O=C(O)CC(C)CC(=O)c1ccc(cc1)c2ccccc2	3.82
7335-35-5	O=C(NO)Nc1ccccc1	0.41
7336-36-9	O=C1C=C3C(=CC=C1(OC))c2c(OC)c(O)c(OC)cc2CCC3(NC(=O)C)	0.48
7359-72-0	c1cc(c(c(c1C)Cl)Cl)Cl	4.56
7374-06-3	O=C(Oc1ccccc1[N+](=O)[O-])NC	1.02
7376-90-1	O=C(N)C(NC(=O)C)Cc1ccccc1	-0.04
7388-31-0	O(c1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)Cl)C	4.47
7391-69-7	O=C1NC(=O)C(C(=O)N1)C(C)C	-0.02
7402-22-4	O=C2N(c1ccccc1Cl)C(=O)CC2	0.56
7403-41-0	O=C(NCC)c1ccc(OC)cc1	1.14
7409-30-5	O=[N+]([O-])c1ccc(cc1)CN	1.06
7411-23-6	n1[nH]c(nc1Br)Br	2.24
7411-79-2	O=S(=O)(Nc1cnc(nc1C)C)c2ccc(N)cc2	0.59
7413-36-7	O=[N+]([O-])c1ccc(cc1)C(O)CNC(C)C	1.28
7420-37-3	Oc1cccc(C=NNC(N)=S)c1	1.61
7423-55-4	O=C(O)CCN1C(=O)C=CC1(=O)	0.04
7424-54-6	O=C(CC(=O)CC)CC	1.12
7433-42-3	O=C(N)N(O)CC	-0.1
7433-43-4	O=C(N)N(O)C	-0.46
7443-52-9	OC1CCCCC1(C)	1.83
7463-28-7	O=C(Nc1ccc(cc1)N(C)C)C	1
7463-31-2	O=C(Nc1cccc(c1)C(=O)C)C	1.06
7463-35-6	O=C(Nc1cccc(c1C)Cl)C	1.82
7464-68-8	O=[N+]([O-])c1ncn(c1C)C	-0.11
7466-48-0	O=C(C=Cc1cccc(c1)[N+](=O)[O-])C	1.88
7466-54-8	O=C(NN)c1ccccc1(OC)	0.25
7474-95-5	O=C(Nc1cccc(c1)N(C)C)C	1.29
7481-88-1	O=C1N=C(N)C=CN1C2OC(C=C2)CO	-1.55
7481-89-2	O=C1N=C(N)C=CN1C2OC(CO)CC2	-1.3
7487-94-7	Cl[Hg]Cl	-0.22
7491-74-9	O=C(N)CN1C(=O)CCC1	-1.54
7495-11-6	O=C(Nc1ccc(cc1)Br)Cc2ccccc2	3.7
7520-68-5	n1cc(c(nc1N)N)Cc2cc(c(c(c2)Cl)Cl)Cl	3.64
7547-18-4	O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccccc4Cl	2.67
7547-20-8	O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccc(cc4Cl)Cl	3.4
7556-99-2	n1cnc2cc(ccc2(c1))Cl	1.74
7559-36-6	O=[N+]([O-])C=Cc1ccc(cc1)C	2.66
7560-83-0	N(C)(C1CCCCC1)C2CCCCC2	3.71
7561-67-3	O=C3c1ccccc1C(=O)C3(c2ccc(cc2)CC)	3.92
7576-65-0	O=C1c4ccccc4(C(=O)C1c2nc3ccccc3(cc2(O)))	5
7580-85-0	OCCOC(C)(C)C	0.39
7597-60-6	O=CNC=1C(=O)N(C(=O)N(C=1(N))C)C	-0.64
7598-61-0	O=P(OCC)(OCC)CC(OCC)OCC	0.69
7612-96-6	C(=Nc2ccc(N=Nc1ccccc1)cc2)=S	5.55
7658-80-2	O=C(NN)c1ccccc1C	0.22
7681-15-4	O=C(OCCC)c1cnccc1	1.94
7681-76-7	O=C(OCc1ncc(n1C)[N+](=O)[O-])N	-0.38
7682-32-8	FC(F)(F)c2nc1c(cc(c(c1Br)Br)Br)[nH]2	4.08
7682-34-0	n1c([nH]c2c1c(c(c(c2Cl)Cl)Cl)Cl)Cl	4.53
7682-38-4	n1c([nH]c(c1Cl)Cl)Cl	1.85
7692-57-1	n1c2ccc(cc2([nH]c1SC))Cl	3.22
7695-63-8	OC(COc1ccccc1)CNC(C)C	1.72
7696-12-0	O=C(OCN1C(=O)C2=C(C1(=O))CCCC2)C3C(C=C(C)C)C3(C)(C)	4.73
7700-17-6	O=C(OC(c1ccccc1)C)C=C(OP(=O)(OC)OC)C	3.3
7703-36-8	N#CC=1C(=O)OC(=CN(C)C)C=1c2ccccc2	1.07
7722-15-8	[O-][N+]2=C(c1ccccc1)c3cc(ccc3(N=C(N)C2))Cl	2.13
7728-40-7	O=C(Nc1c(cccc1C)C)CNCC	1.32
7729-78-4	O=C1NC(NC(=O)C1(C)C)=S	0.5
7738-99-0	c1cc(ccc1C2NCCS2)Cl	2.1
7752-27-4	O=C(Nc1ccccc1S(=O)(=O)N)C(CC)CC	1.62
7756-44-7	O=S(=O)(Nc1nc(nc(OC)c1)CC)c2ccc(N)cc2	1
7761-45-7	n1c(nc(c(c1N)c2ccc(c(c2)Cl)Cl)C)N	2.82
7764-50-3	O=C1CC(C(=C)C)CCC1C	2.85
7778-06-5	O=P1(N(C)C)(N(C)CCN1(C))	0.02
7778-85-0	O(C)CC(OC)C	-0.09
7781-98-8	O=C(OCC)c1cccc(O)c1	2.47
7786-34-7	O=C(OC)C=C(OP(=O)(OC)OC)C	0.13
7787-20-4	O=C2C1(C)(CCC(C1)C2(C)C)	3.52
8003-22-3	O=C1c4ccccc4(C(=O)C1c2nc3ccccc3(cc2))	4.1
8050-35-9	O=C(c1ccccc1)C(O)c2ccccc2	2.13
10051-63-5	O=C(Oc1cccc(c1)C(=O)CC)NC	1.49
10057-27-9	O=C(C(F)(F)F)C(F)(F)F	1.46
10061-01-5	C(=CCl)CCl	2.05
10061-64-0	O=C(N)C(NC(=O)C)CS	-0.29
10075-50-0	c1cc2cc(ccc2([nH]1))Br	3
10078-46-3	O=C(C=CN1CC=CC1)c2cc(OC)c(OC)c(OC)c2	1.77
10113-28-7	O=P(Oc1ccccc1)(OC)OC	1.22
10118-89-5	O=C(N)C=3C(=O)C4(O)(C(O)=C2C(=O)c1c(O)c(ccc1CC2CC4(C(C=3(O))N(C)C))N(C)C)	-0.07
10124-85-3	O=C(C=C)NCCc1nc[nH]c1	-0.21
10176-39-3	O=COC1CC(OC(C)C1(OC=O))OC8C(OC(OC7C(OC(OC6CCC5(C)(C(CCC3C5(CCC4(C)(C(C2=CC(=O)OC2)C(OC=O)CC34(O))))C6))CC7(OC=O))C)CC8(OC=O))C	3.16
10176-63-3	N#Cc2cc(c1ccccc1)c(nc2Cl)C	3.24
10206-21-0	N#CCC(=O)NC2C(=O)N1C(C(=O)O)=C(COC(=O)C)CSC12	-0.45
10215-89-1	O=C1OC3C(C1(=C))C(OC(=O)C(=CC)C)CC2(OC2)C4C(OC(=O)C)C=C(C)C34(O)	0.76
10222-01-2	N#CC(C(=O)N)(Br)Br	0.82
10245-51-9	O=C(OCN1C(=O)c3cccc2cccc(C1(=O))c23)C	2.34
10247-71-9	O=C2OC3CC1=CC(OC1(=O))CC4(OC4(C(O)C3(C2(=C))))(C)	-0.64
10249-33-9	O=C(C=CC)Nc1ccc(c(c1)Cl)Cl	3.63
10264-18-3	O=C(Nc1ccccc1)CCCC	2.61
10265-92-6	O=P(OC)(N)SC	-0.8
10268-78-7	O=C(Nc1cccc(c1)NC(=O)C)C	0.5
10269-25-7	c1ccc(cc1)C2=C(C(=S)SS2)C	3.95
10286-75-6	O=C(Nc1ccc(c(c1)Cl)Cl)c2ccccc2	4.42
10290-38-7	O=C(Nc1cc(cc(c1)Cl)Cl)N(C)C	3.07
10311-84-9	O=C1c2ccccc2(C(=O)N1C(CCl)SP(OCC)(OCC)=S)	4.69
10315-98-7	O1CCN(CC1)CC(C)C	1.17
10316-00-4	O2CCN(Cc1ccccc1)CC2	1.58
10319-35-4	C(=Nc1ccc(cc1)C=Cc2ccccc2)=S	5.85
10338-69-9	c1ccc(cc1)C2=CCNCC2	1.99
10342-59-3	O=[N+]([O-])c1ccc(cc1)CCC	3.45
10342-85-5	O=C(c1ccc(cc1)N2CCCCC2)C	3.13
10345-79-6	O=C(c1ccccc1Cl)N(CC)CC	2.1
10346-41-5	O=C(N)C(NC(=O)C)Cc2c[nH]c1ccccc12	0.42
10349-09-4	n1onc(c1c2ccccc2)C	2.59
10349-14-1	n1onc(c1N)c2ccccc2	1.81
10350-68-2	n1oc(nc1c2ncccc2)C	0.79
10352-44-0	O=C(Nc1ccc(cc1)SC)C	2.03
10354-48-0	O=C(NCc1ccccc1)c2occc2	1.81
10354-55-9	O=C(NCCCC)c1cnccc1	0.9
10363-40-3	O=P(Oc1ccc(cc1Cl)Cl)(OC)NC	2.41
10369-88-7	O=C(OCCN(CC)CC)C=Cc1ccccc1	3.61
10379-14-3	O=C1N(c3ccc(cc3(C(=NC1)C2=CCCCC2))Cl)C	3.2
10390-44-0	O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)COc1ccccc1))	0.26
10394-96-4	N#CC(C#N)=C(c1ccccc1)c2ccccc2	3.55
10397-59-8	O=C(N(C)C)COc1ccccc1	0.8
10443-70-6	O=C(OCC)CCCOc1ccc(cc1C)Cl	4.26
10453-86-8	O=C(OCc1coc(c1)Cc2ccccc2)C3C(C=C(C)C)C3(C)(C)	6.14
10502-44-0	O=C(O)C(O)c1ccc(OC)cc1	0.63
10507-52-5	O=C(OCc1ccccc1)N(C)C	2.16
10518-85-1	O=C(NC)c1ccc(cc1)S(=O)(=O)N	-0.31
10533-83-2	O=C(c1ccccc1)N(C)S(=O)(=O)c2ccc(cc2)C	2.95
10542-87-7	O=C(C=Cc1ccccc1(OC))C	2.42
10543-21-2	O(c1ccc(cc1)C(c2ccc(OC)cc2)C)C	4.52
10548-10-4	O=S(CSP(OCC)(OCC)=S)C(C)(C)C	2.21
10552-94-0	O=NN1CC=CC1	0.26
10605-21-7	O=C(OC)Nc1nc2ccccc2([nH]1)	1.52
11039-70-6	OC1(C)(CCC(C(=C)C)C1(C))	2.87
11141-17-6	O=C(OC1CC(OC(=O)C)C3(C(=O)OC)(COC2C(O)C(C)(C4C(O)(OCC14(C23))C(=O)OC)C78(OC8(C)(C6CC7(OC5OC=CC56(O))))))C(=CC)C	1.09
12192-57-3	OCC1OC(C(O)C(O)C1(O))S[Au]	-2.5
12771-68-5	OC(c1cncnc1)(c2ccc(OC)cc2)C3CC3	1.91
13004-52-9	Oc1ccc(cc1)C(c2ccc(O)cc2)c3nccs3	2.96
13010-47-4	O=NN(C(=O)NC1CCCCC1)CCCl	2.83
13017-11-3	O=C(OC2CC1=CC(OC1(=O))CC4(OC4(C3OC(=O)C(=C)C23))(C))C(=C)C	0.69
13021-15-3	c1c(cc(c(c1C)N(C)C)C)C	4.41
13029-08-8	c1ccc(c(c1)c2ccccc2Cl)Cl	4.97
13031-39-5	O=C(Oc1cccc(c1)Cl)C	2.32
13031-43-1	O=C(Oc1ccc(cc1)C(=O)C)C	1.29
13042-33-6	O=C(O)CNC(=O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)(C3(CCC12(C)))	2.15
13050-41-4	O=C(NN)NCC	-1.62
13050-47-0	O=C(NN)c1cccc(c1)C	0.74
13053-81-1	O=C(Nc1cccs1)C	1.1
13053-88-8	O=C(Nc1ncccn1)C	-0.75
13067-93-1	N#Cc2ccc(OP(OCC)(c1ccccc1)=S)cc2	4.29
13070-01-4	N1C(CCCC1)=S	0.13
13071-79-9	O(CC)P(OCC)(=S)SCSC(C)(C)C	4.48
13074-09-4	O=[N+]([O-])c1ccc(OP(OC)(OC)=S)cc1CC	3.74
13074-11-8	O=[N+]([O-])c1ccc(OP(=O)(OC)OC)cc1C(C)C	2.57
13080-90-5	OC2CC1C=CC2(C1)	0.99
13087-49-5	O=C1NC(=O)N(C=2NC(=O)N(C1=2)C)C	-1.33
13089-48-0	O=C1N=C(C=CN1C2OC(CO)C(O)C2(O))NC(=O)c3ccccc3	0.3
13114-87-9	O=C(N)Nc1cccc(c1)C(F)(F)F	2.31
13116-53-5	C(C(CCl)(Cl)Cl)Cl	2.72
13129-23-2	O=C(OC)c1cocc1	1.28
13132-25-7	Oc1ccc(cc1)[Si](C)(C)C	3.84
13136-29-3	O=C(c1ccccc1)N(NC(Nc2ccccc2)=S)C	2.47
13140-73-3	O=C(Nc1cccc(c1)Br)Cc2ccccc2	3.77
13140-76-6	O=C(Nc1cccc(c1)[N+](=O)[O-])Cc2ccccc2	2.93
13140-77-7	O=C(Nc1ccc(cc1)[N+](=O)[O-])Cc2ccccc2	3.18
13140-86-8	O=C(Nc1ccccc1)NC2CC2	1.65
13140-89-1	O=C(Nc1ccccc1)NC2CCCC2	2.65
13156-74-6	O=C(C=Cc1ccccc1)N(C)C	1.73
13156-75-7	O=C(c1occc1)N(C)C	0.41
13171-21-6	O=C(C(=C(OP(=O)(OC)OC)C)Cl)N(CC)CC	0.79
13194-48-4	O=P(OCC)(SCCC)SCCC	3.59
13205-48-6	O=C(O)c1ccc(cc1)SC	2.74
13206-67-2	O=NN(C(=O)Nc1ccccc1)CCCl	2.49
13207-50-6	c1ccc(cc1)NNC(NC)=S	1.17
13207-66-4	Oc1ccc(N)c2cccnc12	-0.11
13214-66-9	NCCCCc1ccccc1	2.4
13229-35-1	O=S(=O)(N(c1ccccc1)C)C	1.02
13256-06-9	O=NN(CCCCC)CCCCC	3.86
13258-63-4	n1ccc(cc1)CCN	-0.01
13276-17-0	O=C(C=C)NCCN1CCOCC1	-0.55
13278-36-9	O=C(O)c2ccccc2(Nc1cccc(c1)Cl)	5.43
13290-48-7	O=C(c1cccc(c1)C)N2CCCCC2	2.6
13311-84-7	O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(C)C	3.35
13314-63-1	c1ccc(cc1)C2=CCN(CC)CC2	3.18
13351-73-0	n1nn(c2ccccc12)C	1.13
13358-11-7	O=C1N(C(=O)C3C1C2(C=CC3(CC2)C(C)C)(C))CC(CC)CCCC	5.96
13360-45-7	O=C(Nc1ccc(c(c1)Cl)Br)N(OC)C	3.09
13373-32-5	O=[N+]([O-])c1nc([nH]c1)C(C)C	0.9
13389-42-9	C(=CCCCCC)C	4.51
13410-84-9	O=C2NC(=S)SC2(=Cc1oc(cc1)[N+](=O)[O-])	0.74
13411-16-0	O=[N+]([O-])c2oc(C=Cc1nc(ccc1)CO)cc2	1.37
13414-55-6	O=[N+]([O-])c2cccc1c2(OC(C)(C)C1)	3.33
13425-98-4	O=S(=O)(OCCCNCCCOS(=O)(=O)C)C	-1.71
13438-65-8	O=C(N)c1cccnc1(N)	0.88
13441-66-2	O=C(NC(C1OC(C(O)C(O)C1(O))SC)C(C)Cl)C2N(CC)CC(CCC)C2	2.51
13450-66-3	n1cccc(c1)CCN2CCCCC2	1.66
13460-15-6	O=S2(=O)(NC(=Nc1ccc(cc12)Br)C)	1.37
13460-16-7	O=S2(=O)(NC(=Nc1ccc(cc12)Cl)C(C)(C)C)	2.4
13460-17-8	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C3CC3)	1.98
13466-78-9	C1=C(C)CC2C(C1)C2(C)(C)	4.38
13476-55-6	O=C(OCCCCCC)c1ccc(N)cc1	3.96
13481-25-9	N#Cc1nccnc1(C#N)	0.38
13491-47-9	O=C1N=C(C=CN1C2OC(CO)C(O)C2(O))NC(=O)C	-1.35
13509-38-1	O=C(Nc1ccccc1)SC	2.4
13523-86-9	OC(COc1cccc2[nH]ccc12)CNC(C)C	1.75
13538-14-2	O=[N+]([O-])c1ccc(OP(=O)(OCC)C(C)(C)C)cc1	2.4
13538-26-6	O=C(Oc1cc(cc(c1)Cl)Cl)NC	3.03
13538-27-7	O=C(Oc1ccccc1Br)NC	1.77
13538-28-8	O=C(Oc1ccccc1I)NC	1.94
13538-50-6	O=C(Oc1ccc(cc1)Br)NC	2.17
13538-51-7	O=C(Oc1ccc(cc1)I)NC	2.46
13538-54-0	O=C(Oc1ccc(OCC)cc1)NC	1.63
13538-60-8	O=C(Oc1cccc(c1)Br)NC	2.25
13540-50-6	c1ccc(cc1)Cc2cc(ccc2C)C	5.65
13551-86-5	O=[N+]([O-])c1nccn1CC(O)CCl	0.15
13551-87-6	O=[N+]([O-])c1nccn1CC(O)COC	-0.37
13551-89-8	O=[N+]([O-])c1nccn1CC(O)CF	-0.52
13551-91-2	O=[N+]([O-])c1nccn1CC(O)C	-0.16
13551-92-3	O=[N+]([O-])c1nccn1CC(O)CO	-0.96
13552-46-0	O=C(c1ccc(cc1)C)CCN2CCCCC2	3.55
13575-92-3	OC2c1ccccc1CCC2(N)	0.84
13584-27-5	O=C(N)C1=C(OCCS1)C	-0.22
13593-03-8	n1cc(nc2ccccc12)OP(OCC)(OCC)=S	4.44
13603-07-1	O=NN1CCCC(C)C1	0.99
13609-67-1	O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC	3.18
13641-62-8	OCC=CC#CC#Cc1ccccc1	2.48
13655-52-2	OC(COc1ccccc1CC=C)CNC(C)C	3.1
13671-00-6	O=C(OC)c1c(F)cccc1(F)	1.96
13674-84-5	O=P(OC(C)CCl)(OC(C)CCl)OC(C)CCl	2.59
13674-87-8	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	3.65
13678-98-3	C(C#Cc1ccccc1)#CC=CC	4.76
13684-56-5	O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2	3.39
13684-63-4	O=C(Oc1cccc(c1)NC(=O)OC)Nc2cccc(c2)C	3.59
13707-23-8	O=C(c1ccc(cc1)C)N2CCCCC2	2.8
13708-12-8	n1ccnc2c1cccc2C	2.04
13725-30-9	O=C(OC)Nc1ccccc1[N+](=O)[O-]	2.1
13780-91-1	O=C(Nc1ccc(O)c(c1)C(C)C)C	1.71
13781-53-8	N#CCc1ccsc1	1.26
13781-66-3	O=C(N)Cc1ccsc1	0.31
13797-63-2	FC(F)(F)c1nc2ncccc2([nH]1)	1.38
13815-60-6	O=C(c1ccccc1)N(N=CC)c2ccccc2	2.76
13838-16-9	FC(F)OC(F)(F)C(F)Cl	2.1
13858-89-4	n1c(oc2ccccc12)N(C)C	2.1
13871-68-6	O=C(Oc1ccc(N)cc1)C	0.45
13907-57-8	O=NN(C(=O)NC1CCC(NC(=O)N(N=O)CCCl)CC1)CCCl	2.74
13907-78-3	O=NN(C(=O)Nc1ccc(cc1)Cl)CCCl	3.16
13908-92-4	O=NN(C(=O)NCCCl)CCF	0.96
13908-98-0	O=NN(C(=O)NC1CCC(NC(=O)N(N=O)CCF)CC1)CCF	1.34
13909-02-9	O=NN(C(=O)NC1C(=O)NC(=O)CC1)CCCl	0.37
13909-03-0	O=NN(C(=O)NC1CCCC1)CCCl	2.2
13909-09-6	O=NN(C(=O)NC1CCC(C)CC1)CCCl	3.3
13909-11-0	O=NN(C(=O)NC1CCCCC1Cl)CCCl	2.73
13909-13-2	O=NN(C(=O)NC2CC1CCC2(C1))CCCl	2.98
13909-14-3	O=NN(C(=O)NC1CCCCCCCCCCC1)CCCl	5.64
13909-21-2	O=NN(C(=O)Nc1cccc(OC)c1)CCCl	2.66
13909-63-2	O=C(Nc1ccccc1)NS(=O)(=O)c2ccc(cc2)C	3.11
13909-64-3	O=C(NCCCC)NS(=O)(=O)c1ccc(cc1)Cl	2.81
13909-69-8	O=C(NC)NS(=O)(=O)c1ccc(cc1)C	0.95
13909-73-4	O=C(c1ccc(OC)c(OC)c1(OC))C	1.63
13925-00-3	n1ccnc(c1)CC	0.69
13925-06-9	n1ccnc(c1C)CC(C)C	1.96
13932-40-6	n1cc(c(nc1N)N)Cc2ccc3OCOc3(c2)	1.51
13935-94-9	O=C3c1ccccc1C(=O)C3(c2cccc(c2)C(C)C)	4.43
13935-95-0	O=C3c1ccccc1C(=O)C3(c2cccc(c2)C(C)(C)C)	4.88
13935-96-1	O=C3c1ccccc1C(=O)C3(c2ccc(cc2)C(C)(C)C)	4.88
13936-01-1	O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)C(C)(C)C)C(C)(C)C)	6.86
13941-09-8	O=C(Oc1cccc(c1)I)NC	2.52
13961-64-3	O=C2N=C(c1ccccc1)c3cc(ccc3(N2))C	2.32
13993-02-7	O=C(Nc1ccccc1C)CN2CCCCC2	2.26
14001-64-0	n1c(cc(nc1SC)C)C	1.86
14005-50-6	n2c(nc(c1ccccc1)c3ccccc23)N	2.95
14008-60-7	O=C(N)c1cccc(c1(O))C	2.12
14039-10-2	O=NN(C(=O)NC23(CC1CC(CC(C1)C2)C3))CCCl	3.56
14061-27-9	O=C(Oc1cccc(c1)C(F)(F)F)NC	2.37
14062-34-1	O=C(NN)c1cccc(N)c1	-0.86
14062-61-4	OCC2OC(Oc1cccc(OC)c1)C(O)C(O)C2(O)	-0.52
14062-78-3	O=C(c1ccc(cc1)C)N(C)C	1.72
14073-97-3	O=C1CC(C)CCC1C(C)C	3.05
14080-23-0	N#Cc1ncccn1	-0.31
14080-32-1	O=[N+]([O-])c1cncnc1	-0.05
14085-33-7	C12(=C(CCC1)SSC2=S)	2.53
14088-71-2	OC(c1ccc(cc1)Cl)(c2ccc(cc2)Cl)C3CC3	5.5
14090-88-1	O=C(CC(=O)CCC)CCC	2.23
14098-20-5	NC3C2c1ccccc1C3(CC2)	2.11
14098-24-9	O1c2ccccc2(OCCOCCOCCOCCOCC1)	0.58
14098-44-3	O1c2ccccc2(OCCOCCOCCOCC1)	0.91
14174-09-5	O1c3ccccc3(OCCOCCOCCOc2ccccc2(OCCOCCOCC1))	2.11
14187-32-7	O1c3ccccc3(OCCOCCOc2ccccc2(OCCOCC1))	2.2
14214-32-5	O=C(Nc2ccc(Oc1ccc(OC)cc1)cc2)N(C)C	2.54
14243-64-2	c1ccc(cc1)P(c2ccccc2)(c3ccccc3)=[Au]Cl	2.5
14255-72-2	O=S(=O)(c1ccc(OP(OCC)(OCC)=S)cc1)C	2.56
14293-44-8	O=C(Nc1c(cccc1C)C)c2cc(c(cc2(O))Cl)S(=O)(=O)N	2.19
14294-09-8	NC(N1CCCCC1)=S	0.73
14300-33-5	OC(C1CC1)C2CC2	1.07
14308-65-7	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC	0.98
14309-40-1	O=C(OCCCCCCC)c1ccc(N)cc1	4.5
14309-41-2	O=C(OCCCCCCCC)c1ccc(N)cc1	5.02
14315-11-8	c1cc(c2ccsc2(c1))C	3.57
14315-15-2	c2cc1ccsc1c(c2)C	3.85
14321-27-8	c1ccc(cc1)CNCC	1.82
14339-54-9	O=C(NN)c1ccnc(c1)CCC	0.63
14342-36-0	NC3CC2c1ccccc1C3(CC2)	2.31
14377-19-6	O=C(O)Cc1ccc(cc1)CCCC	3.25
14377-21-0	O=C(O)Cc1ccc(cc1)CCCCC	3.75
14377-22-1	O=C(O)Cc1ccc(cc1)CCCCCC	4.25
14387-10-1	O=C(O)Cc1ccc(cc1)CC	2.25
14417-01-7	O=S(=O)(c1ccccc1)N(C)C	1.35
14433-36-4	O=C(NC(CO)C(O)c1ccc(cc1)C(=O)C)C(Cl)Cl	0.57
14440-78-9	OC2C1CCC(C1)C2(O)	0.44
14488-51-8	CC[Sn]CC	-1.4
14496-34-5	o1cccc1CN(C)C	1.19
14508-49-7	n1ccnc(c1)Cl	0.7
14521-96-1	Oc6ccc5c2c6(OC3C1(OC)(C=CC4(CC1C(O)(C)CCC)(C(N(C)CCC234)C5)))	2.79
14529-53-4	n1ccccc1OCC	1.81
14548-30-2	O=C(c1ccncc1)c2ccc(cc2)C	2.51
14548-46-0	O=C(c1ccncc1)c2ccccc2	1.98
14548-47-1	O=C(c1ccncc1)c2ccc(OC)cc2	1.94
14556-46-8	OC(COc1cc(ccc1Cl)C)CNC(C)(C)C	2.97
14559-54-7	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C)	1.21
14559-55-8	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CC)	1.61
14598-72-2	O=C(OC)CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])Cl	1.3
14659-10-0	c1ccc(cc1)CC2=CC(=S)SS2	3.43
14667-55-1	n1cc(nc(c1C)C)C	0.95
14676-37-0	O=C(Nc1ccccc1(OC))C(Cl)Cl	2.41
14680-18-3	O=C(NCc1ccccc1(O))c2ccccc2	2.55
14698-29-4	O=C(O)C1=CN(c2cc3OCOc3(cc2(C1(=O))))CC	0.94
14757-80-3	O=C(c1cocc1)N(C)C	0.24
14769-09-6	O=C(OC)CS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	0.78
14769-73-4	N2=C1N(CCS1)CC2c3ccccc3	1.84
14773-50-3	n1cccc(OCC)c1	1.44
14803-72-6	O=C(OC)Nc1ccc(OC)cc1	1.73
14803-73-7	O=C(OC)Nc1ccccc1(OC)	1.84
14804-32-1	O(c1ccccc1CC)C	3.18
14805-91-5	O=C(c1ncccc1)N(C)C	-0.45
14816-18-3	N#CC(=NOP(OCC)(OCC)=S)c1ccccc1	4.39
14838-15-4	OC(c1ccccc1)C(N)C	0.75
14884-01-6	n1cc(OC)c[nH]1	0.37
14884-03-8	n1cc(OC(C)C)c[nH]1	1.13
14885-29-1	O=[N+]([O-])c1cnc(n1C)C(C)C	1.36
14896-01-6	O=C(OCC5C=2C(=O)C(Nc1ccccc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N	1.3
14901-07-6	O=C(C=CC1=C(C)CCCC1(C)C)C	3.84
14908-48-6	O=C(c1ccc(OC)cc1)N(N)C	1
14908-49-7	O=C(c1ccc(cc1)[N+](=O)[O-])N(N)C	0.75
14920-81-1	O=C(OC)c1c(cccc1C)C	2.55
14920-87-7	O=C(OC)c1c(cccc1Cl)Cl	2.79
14930-96-2	O=C2OC34(C(=O)NC(Cc1ccccc1)C4(C(C(=C)C(O)C3(C=CCC(C)CCCC(O)C=C2))C))	3.37
14938-35-3	Oc1ccc(cc1)CCCCC	4.06
14946-02-2	n1c(nc(nc1C(Cl)(Cl)Cl)SC)N	3.12
14949-00-9	O=S(=O)(N)c1nnc(N)s1	-0.9
14983-92-7	O=C(OC)Nc1ccccc1C	1.69
14984-65-7	O=P(OCC)(N1CC1(C)C)N2CC2(C)C	1.02
14985-34-3	O=C1C=CN(C(=O)N1Cc2ccccc2)C3OC(CO)C(O)C3(O)	0.33
15006-14-1	O=C2N3c1ccccc1C46(CCN5CC7CCOC(C2)C(C34)C7(CC56))	1.62
15009-91-3	O=[N+]([O-])c1ncccc1	0.48
15011-28-6	Oc2ccc(c1c2(nccc1C))C	2.71
15018-66-3	n1cnc2ccccc2(c1N)	1.28
15045-43-9	O1C(C)(C)CCC1(C)C	2.06
15062-75-6	O=C2Oc1c(cc(cc1S2)C)C	3.25
15104-03-7	O=NN1CCC(C)CC1	1.05
15104-61-7	C(C(Cl)Cl)(C(Cl)Cl)Cl	3.23
15210-60-3	NC12(CC3(C)(CC(C)(C1)CC(C)(C2)C3))	4.01
15233-37-1	N=1C(=NC(N(C=1N)c2ccc(cc2)C)(C)C)N	0.85
15258-73-8	OCc1c(cccc1Cl)Cl	2.02
15267-77-3	O=C(O)COc1ccc(c(c1)C)S(=O)(=O)C	0.54
15299-99-7	O=C(N(CC)CC)C(Oc1cccc2ccccc12)C	3.36
15301-48-1	N#CC(c1ccccc1)(c2ccccc2)CCN5CCC(N4C(=O)N(C(=O)CC)c3ccccc34)CC5	4.8
15307-71-8	O=C(O)Cc2ccccc2(Nc1c(ccc(c1Cl)C)Cl)	4.93
15307-86-5	O=C(O)Cc2ccccc2(Nc1c(cccc1Cl)Cl)	4.51
15327-44-3	N(c1cccc(c1Cl)Cl)=C2NCCN2	1.94
15327-50-1	N(c1cc(ccc1Cl)Br)=C2NCCN2	2.05
15379-32-5	O=C1NC(=O)C(C(=O)N1)(CC)C(C)(C)C	1.38
15386-80-8	N#CCC(=O)Nc1ccc(c(c1)Cl)Cl	2.72
15386-99-9	O=C2N(c1cccc(c1)Cl)C(=O)CC2	0.98
15402-79-6	O(c1cc(OC)c(c(OC)c1)CC(N)C)C	1.57
15402-81-0	O(c1cccc(c1(OC))CC(N)C)C	1.49
15414-78-5	O=C2NC(=O)CN2(c1ccccc1)	0.83
15422-25-0	O=C(NC)COc1ccccc1	1.02
15432-98-1	O=C3c1ccccc1C(=O)C3(c2cccc(c2)C)	3.46
15446-25-0	O=C(OC)CS(=O)(=O)c1ccc(cc1)Cl	1.31
15457-05-3	O=[N+]([O-])c2ccc(Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)cc2	3.65
15468-86-7	n1c(nc(nc1NCC=C)Cl)NCC=C	2.75
15482-11-8	O=C(Oc1ccccc1CCC)NC	2.4
15529-90-5	CCP(CC)(CC)=[Au]Cl	0.75
15545-48-9	O=C(Nc1ccc(c(c1)Cl)C)N(C)C	2.41
15582-85-1	O=C(N)CCCc1ncccc1	-0.01
15583-16-1	n1ccccc1CCCN	0.49
15676-16-1	O=C(NCC1N(CC)CCC1)c2cc(ccc2(OC))S(=O)(=O)N	0.57
15686-71-2	O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)C(N)c1ccccc1))	-0.58
15687-27-1	O=C(O)C(c1ccc(cc1)CC(C)C)C	3.97
15707-23-0	n1ccnc(c1C)CC	1.07
15707-24-1	n1ccnc(c1CC)CC	1.51
15725-14-1	O=C(C(=Cc1ccccc1Cl)C(=O)C)C	2.19
15725-15-2	O=C(C(=Cc1cccc(c1)Cl)C(=O)C)C	2.26
15725-16-3	O=C(C(=Cc1ccccc1(OC))C(=O)C)C	1.73
15725-17-4	O=C(C(=Cc1ccc(OC)cc1)C(=O)C)C	1.73
15725-18-5	O=C(C(=Cc1ccc(OC)cc1(OC))C(=O)C)C	1.88
15725-21-0	O=C(OCC)C(=Cc1cccc(F)c1)C(=O)C	2.46
15725-22-1	O=C(OCC)C(=Cc1ccccc1Cl)C(=O)C	2.84
15725-23-2	O=C(OCC)C(=Cc1cccc(c1)Cl)C(=O)C	2.97
15725-24-3	O=C(OCC)C(=Cc1ccccc1(OC))C(=O)C	2.39
15725-25-4	O=C(OCC)C(=Cc1cccc(OC)c1)C(=O)C	2.34
15725-26-5	O=C(OCC)C(=Cc1ccc(OC)cc1)C(=O)C	2.46
15725-27-6	O=C(OCC)C(=Cc1cccc(OCC)c1)C(=O)C	2.71
15725-28-7	O=C(OCC)C(=Cc1cccc(OCCC)c1)C(=O)C	3.34
15725-29-8	O=C(OCC)C(=Cc1ccc(cc1Cl)Cl)C(=O)C	3.67
15725-30-1	O=C(OCC)C(=Cc1c(cccc1Cl)Cl)C(=O)C	2.86
15725-31-2	O=C(OCC)C(=Cc1ccc(c(c1)Cl)Cl)C(=O)C	3.92
15725-32-3	O=C(OCC)C(=Cc1ccc(OC)cc1(OC))C(=O)C	2.41
15725-33-4	O=C(OCC)C(=Cc1cccc(c1)C)C(=O)OCC	3.55
15725-37-8	O=C(OCC)C(=Cc1cccc(OCC)c1)C(=O)OCC	3.39
15725-38-9	O=C(OCC)C(=Cc1cccc(OCCC)c1)C(=O)OCC	4
15725-39-0	O=C(OCC)C(=Cc1cccc(OCCCC)c1)C(=O)OCC	4.03
15753-84-1	O=C(C=Cc1cccc(c1)C)C	2.68
15795-19-4	O=C(C(=Cc1ccc(cc1)Br)C(=O)C)C	2.75
15798-77-3	O=C1Oc3c(C=C1)ccc2oc(cc23)C	2.55
15804-61-2	N#CC(=Cc1ccccc1)C(=O)Nc2ccccc2	3.41
15804-68-9	O=C(N)C(=Cc1cccc(OC)c1)C(=O)N	0.01
15806-38-9	O=C(Oc1ccccc1)CC(C)C	3.18
15818-09-4	O=C(C(=Cc1ccc(cc1)C)C(=O)C)C	2.14
15818-10-7	O=C(C(=Cc1cccc(OC)c1)C(=O)C)C	1.79
15818-13-0	O=C(OCC)C(=Cc1ccc(OC)c(OC)c1)C(=O)OCC	2.89
15851-93-1	O=[N+]([O-])C=Cc1cc(ccc1Cl)[N+](=O)[O-]	2.23
15851-94-2	O=C(C(=Cc1ccc(F)cc1)C(=O)C)C	1.65
15861-24-2	N#Cc1ccc2[nH]ccc2(c1)	2.38
15861-36-6	N#Cc1ccc2cc[nH]c2(c1)	2.38
15862-07-4	c1ccc(cc1)c2cc(c(cc2Cl)Cl)Cl	5.81
15879-93-3	OCC(O)C2OC1OC(OC1C2(O))C(Cl)(Cl)Cl	1.02
15888-02-5	O=C(N)C(=Cc1cccc(c1)C)C(=O)N	0.4
15893-46-6	O=C(N)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2	1.13
15907-82-1	O=C(Nc1ccc(c(c1)Cl)Cl)C2CCCC2	4.47
15907-85-4	O=C(Nc1ccc(c(c1)Cl)Cl)C2CCCCC2	4.72
15913-35-6	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(N2C)=S	1.06
15940-62-2	O=C(NN)Nc1cccc(c1)C	0.68
15940-63-3	O=C(NN)Nc1ccccc1C	0.36
15948-56-8	O=C(N)C(=Cc1cccc(F)c1)C(=O)N	0.1
15950-66-0	Oc1ccc(c(c1Cl)Cl)Cl	3.8
15959-53-2	O=S(=O)(N)Nc1ccccc1	0.4
15962-47-7	O=C(N)C(NC(=O)C)C	-1.52
15968-05-5	c2cc(c(c1c(cccc1Cl)Cl)c(c2)Cl)Cl	5.94
15972-60-8	O=C(N(c1c(cccc1CC)CC)COC)CCl	3.52
15981-93-8	O=C1N=C(C=CN1C2OC(COC(=O)C)C(OC(=O)C)C2(OC(=O)C))NC(=O)C	-0.16
15986-80-8	n1ccnc(c1C)CCC	1.57
15987-00-5	n1ccnc(c1C)CCCC	2.1
16018-79-4	O=C(NC(=N)N)Nc1cccc(c1)[N+](=O)[O-]	1.28
16051-77-7	O=[N+]([O-])OC1COC2C(O)COC12	-0.28
16053-34-2	O=C(Nc1cccc(OCC)c1)Cc2ccccc2	3.23
16063-69-7	n1c(cc(cc1Cl)Cl)Cl	2.68
16063-70-0	n1cc(cc(c1Cl)Cl)Cl	3.11
16096-32-5	c2cc1[nH]ccc1c(c2)C	2.54
16110-09-1	n1cc(ccc1Cl)Cl	2.4
16110-51-3	O=C(O)C=3Oc4cccc(OCC(O)COc2cccc1OC(=CC(=O)c12)C(=O)O)c4(C(=O)C=3)	1.92
16135-31-2	O=CNc1ccc(cc1)[N+](=O)[O-]	1.43
16136-52-0	N#Cc1cccc2[nH]ccc12	2.46
16141-40-5	O=C2N(c1cccc(OC)c1)C(=O)CC2	0.18
16143-84-3	O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	3.72
16166-22-6	O=C(Nc1ncncc1)C	0.03
16219-75-3	C(=C1CC2C=CC1C2)C	3.82
16268-75-0	n1c(nc(nc1N(C)C)N(CC)CC)N(C)C	3.45
16271-10-6	O=P(OCC)(N)SCC	0.15
16271-16-2	O=P(OC)(NCCC)SC	0.65
16310-37-5	O=S(=O)(c1nc2ccccc2(nc1))C	0.79
16339-04-1	O=NN(CC)C(C)C	0.9
16339-07-4	O=NN1CCN(C)CC1	0.2
16339-18-7	N#CCN(N=O)CC#N	0.04
16347-95-8	n1cnc2ccccc2(c1OC)	1.97
16350-99-5	O=CN(c1ccccc1)Cc2ccccc2	2.62
16375-90-9	O=C(Nc1ccc(O)c(c1)C)C	0.79
16395-58-7	O=C(N)C1N(C(=O)C)CCC1	-1.34
16409-45-3	O=C(OC1CC(C)CCC1C(C)C)C	4
16463-74-4	O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))C	2.3
16479-50-8	O=C1OCC(=C1)C5CCC6(O)(C7CCC4CC(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)CCC4(C)C7(CCC56(C)))	2.15
16524-22-4	O=C(O)c2ccccc2(Nc1cccc(c1)C)	4.88
16533-50-9	Oc1cccc(OCCC)c1	2.59
16563-41-0	O=C(O)CCOc1cccc2ccccc12	3
16563-45-4	O=C(O)CCCOc1cccc2ccccc12	3.5
16566-20-4	n1ccnc2c1cccc2(N)	1.29
16583-98-5	O=C(O)C(n1nc2ccccc2(n1))(C)C	0.64
16584-02-4	n1nn(c2ccccc12)CCC	2.13
16584-05-7	n1nn(c2ccccc12)CC	1.58
16590-41-3	O=C1CCC5(O)(C4N(CCC25(c3c(OC12)c(O)ccc3C4))CC6CC6)	1.92
16605-91-7	c1ccc(cc1)c2cccc(c2Cl)Cl	5.02
16606-02-3	c1cc(ccc1c2cc(ccc2Cl)Cl)Cl	5.69
16620-75-0	N=C(c1ccc(cc1)C)c2ccc(cc2)C	3.71
16637-13-1	O=C(Nc1c(cccc1C(C)C)C(C)C)C	2.41
16664-12-3	O=C(OC)Nc1ccccc1(F)	1.66
16665-89-7	O=C(Nc1c(cccc1CC)CC)C	1.85
16672-87-0	O=P(O)(O)CCCl	-0.22
16681-63-3	O=[N+]([O-])c1nc(n(c1)C)Br	0.33
16697-83-9	O=C(N(C)S(=O)(=O)c1ccc(cc1)C)C	1.73
16744-99-3	O=C(OC)Nc1ccc(F)cc1	1.95
16752-77-5	O=C(ON=C(C)SC)NC	0.6
16758-34-2	OCC1OC(C(O)C(O)C1(O))Sc2ccccc2	-0.56
16766-29-3	O(c1cc(c(c(c1(OC))Cl)Cl)Cl)C	4.01
16803-92-2	O=S(=O)(Nc1ccc(cc1)Cl)c2ccc(N)cc2	2.71
16803-95-5	O=S(=O)(Nc1ccc(cc1)C)c2ccc(N)cc2	2.11
16803-96-6	O=S(=O)(Nc1ccccc1C)c2ccc(N)cc2	2.03
16805-99-5	O=S(=O)(Nc1ncc(cc1)Br)c2ccc(N)cc2	2.3
16822-80-3	N(c1cc(ccc1C)Br)=C2NCCN2	1.94
16822-82-5	N(c1cc(ccc1Cl)C)=C2NCCN2	1.83
16822-85-8	N(c1cc(ccc1C)Cl)=C2NCCN2	1.83
16822-94-9	N(c1cccc(c1C)Br)=C2NCCN2	1.94
16822-97-2	N(c1cccc(c1Cl)C)=C2NCCN2	1.83
16825-54-0	Oc1ccc(c(O)c1)CCCCCCCCCCCCCCC	8.29
16839-97-7	O(c1cccs1)C	2.13
16859-59-9	O=C1OC(O)c2ccccc12	0.57
16867-29-1	O=C1C(=C(N=C2C=CC=CN12)C)C	1
16867-53-1	O=C(OCC)C2=CN=C1C=CC=C(N1C2(=O))C	0.96
16891-79-5	O=S(=O)(N)c1ccc(cc1)NC	0.08
16926-87-7	O=C(OCC(O)COc1ccccc1)C(=C)C	2.27
16927-82-5	O=C(C=Cc1ccccc1C)C	2.6
16935-34-5	O=C1NC(=O)C(N1)C(C)C	-0.36
16956-42-6	O=C(NN)NCc1ccccc1	-0.22
16993-45-6	O=S(=O)(N)c1ccc(cc1)S(=O)(=O)N	-0.96
17004-62-5	O=C(O)CCCCCCC=CCCCCCCC	6.58
17012-22-5	O=C(OC)c1ccc(cc1)NC(=O)C	1.79
17013-41-1	O=C1NC(=O)C(C(=O)N1)(CCCC)CCCC	2.7
17057-68-0	O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SC)C2N(CC)CC(CCCC)C2	1.76
17066-68-1	O=C1OC2C(C1(=C))C(O)CC(C)C3CCC(=O)C23(C)	0.23
17075-29-5	O=C(NNC(=O)C)Nc1ccc(cc1)C	0.67
17075-30-8	O=C(NNC(=O)C)Nc1ccc(OC)cc1	0.11
17075-31-9	O=C(NNC(=O)C)Nc1ccc(cc1)Cl	1.12
17078-72-7	O=S(=O)(c1ccc(OC)cc1)c2ccc(N)cc2	1.96
17109-49-8	O=P(OCC)(Sc1ccccc1)Sc2ccccc2	3.48
17112-82-2	C(=NCc2cccc1ccccc12)=S	4.42
17174-98-0	N#Cc1ccccc1(C(=O)N)	0
17180-93-7	n1cnc(cc1)Cl	0.47
17180-94-8	n1cncc(c1)Cl	0.47
17186-60-6	O=C(NC(C(=O)NC)Cc1ccccc1)C	0.4
17199-55-2	OC(CC)C(c1ccccc1)(c2ccccc2)CC(N(C)C)C	4.27
17220-38-1	n1onc(N)c1N	-0.49
17249-80-8	c1cscc1Cl	2.55
17258-31-0	n1nc(ccc1)N(C)C	0.29
17258-38-7	n1ncc(cc1)N(C)C	-0.09
17260-71-8	O=S(=O)(N)c1cccc(c1)Cl	1.29
17278-57-8	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CCl	0.59
17306-43-3	O=[N+]([O-])c1nccn1C2OC(CO)C(O)C2(O)	-1.15
17331-11-2	O=C1N=C(N=CN(C)C)C=CN1C2OC(CO)C(O)C2	-1.54
17348-59-3	O(C(C)C)C(C)(C)C	2.14
17357-04-9	O=C(NCN1CCOCC1)c2ccccc2(O)	1.27
17371-30-1	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Br)Br	1.36
17372-79-1	n1nc2ccccc2(cc1N)	1
17394-14-8	O=C(O)C3c1ccccc1Sc2ccccc23	2.57
17404-90-9	n1nc(cc2ccccc12)Cl	1.57
17413-90-0	O=C(O)C(Oc1ccc(cc1)Cl)(C)CC	2.9
17422-33-2	c1cc2ccc(cc2([nH]1))Cl	3.25
17422-56-9	O=C(OCC)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC	2.54
17433-31-7	O=C(NNC(=O)C)c1ncccc1	-0.57
17433-92-0	O=C(NN)Nc1cccc(c1)[N+](=O)[O-]	-0.13
17433-93-1	O=C(NN)Nc1ccc(cc1)[N+](=O)[O-]	-0.18
17433-94-2	O=C(NN)Nc1ccccc1[N+](=O)[O-]	-0.47
17455-13-9	O1CCOCCOCCOCCOCCOCC1	-0.68
17455-25-3	O1c3ccccc3(OCCOCCOCCOCCOc2ccccc2(OCCOCCOCCOCC1))	1.8
17562-53-7	N#Cc2ccc3NC(=O)CN=C(c1ccccc1)c3(c2)	1.82
17570-26-2	O=C(O)C=Cc1cccc(OC)c1	2.37
17575-20-1	O=C1OCC(=C1)C7CCC8(O)(C9CCC6CC(OC5OC(C)C(OC4OC(C)C(OC3OC(C)C(OC2OC(CO)C(O)C(O)C2(O))C(OC(=O)C)C3)C(O)C4)C(O)C5)CCC6(C)C9(CCC78(C)))	1.23
17575-22-3	O=C1OCC(=C1)C7CCC8(O)(C9CCC6CC(OC5OC(C)C(OC4OC(C)C(OC3OC(C)C(OC2OC(CO)C(O)C(O)C2(O))C(OC(=O)C)C3)C(O)C4)C(O)C5)CCC6(C)C9(CC(O)C78(C)))	0.07
17576-53-3	O=[N+]([O-])c1cnc2ccccc2(c1)	1.97
17584-90-6	O=C1c2ccccc2(OC(=C1C)C)	2.31
17598-02-6	O(c1ccc2C=CC(Oc2(c1))(C)C)C	3.35
17606-31-4	O=S(=O)(c1ccccc1)SCC(N(C)C)CSS(=O)(=O)c2ccccc2	3.36
17629-01-5	n2cnc(c1ccccc1)c3ccccc23	2.71
17629-04-8	O=C3N=C(c1ccccc1)c2ccccc2N3C	1.79
17629-09-3	n2c(nc(c1ccccc1)c3ccccc23)OC	3.5
17647-69-7	n1onc(c1C)CC	1.18
17647-70-0	n1onc(c1N)C	0.09
17650-76-9	O=[N+]([O-])c1ccc(OP(=O)(OC)OC)c(c1)Cl	1.83
17659-57-3	O=[N+]([O-])c1cccc(c1)c2nc3c(ncnc3([nH]2))N	1.93
17671-76-0	O=C(OCCC)NC	0.95
17696-95-6	O=C(NN)NC	-2.2
17700-09-3	O=[N+]([O-])c1ccc(c(c1Cl)Cl)Cl	3.61
17700-54-8	O=C(Nc1c(cccc1Cl)Cl)C	1.32
17711-74-9	O=[N+]([O-])c1cccc(c1)N2C(=NC(=NC2(C)C)N)N	0.06
17720-22-8	n1cnc2[nH]c(nc2(c1N))c3ccccc3	2.31
17721-95-8	O=NN1C(C)CCCC1C	1.36
17751-47-2	n1cccc(c1)CN2CCOCC2	0.04
17757-70-9	O=C(Nc1ccccc1)C2=C(OCCS2(=O))C	0.64
17781-16-7	O=C1c2cccc(O)c2(OC1(C)C)	1.87
17795-32-3	O=P(Oc1ccc(OC)cc1)(OC)NC	1.06
17804-35-2	O=C(OC)Nc2nc1ccccc1n2(C(=O)NCCCC)	2.12
17812-07-6	O=C(O)C=CC(=O)c1ccccc1	1.53
17849-38-6	OCc1ccccc1Cl	1.77
17870-85-8	O=C(O)c2ccc(cc2(Nc1cccc(c1)Cl))Cl	5
17883-59-9	O=C(NN)C(C)(C)C	-0.35
17902-23-7	O=C1NC(=O)N(C=C1(F))C2OCCC2	-0.27
17942-66-4	O=C(O)C4=C(COC(=O)C)CSC3N4(C(=O)C3(NC(=O)Cc2cc1ccccc1s2))	1.68
17945-79-8	OCCCCc1ncccc1	0.86
18031-40-8	O=CC1=CCC(C(=C)C)CC1	3.13
18035-92-2	O=C(OC2N=C(c1ccccc1)c3cc(ccc3(NC2(=O)))Cl)c4cc(OC)c(OC)c(OC)c4	3.75
18046-21-4	O=C(O)Cc2c(nc(c1ccccc1)s2)c3ccc(cc3)Cl	5.19
18048-95-8	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(C)C	0.79
18063-03-1	O=C(N)c1c(F)cccc1(F)	0.25
18109-43-8	O=C(Nc1cccc(c1)Cl)Cc2ccccc2	3.61
18109-55-2	O=C(N(c1c(cccc1C)C)CCCN(CC)CC)Cc2ccccc2	4.94
18138-04-0	n1cc(nc(c1CC)CC)C	1.95
18143-31-2	CCC[Si](C)C	3.22
18181-70-9	O(c1cc(c(cc1Cl)I)Cl)P(OC)(OC)=S	5.51
18181-80-1	O=C(OC(C)C)C(O)(c1ccc(cc1)Br)c2ccc(cc2)Br	5.4
18259-05-7	c1ccc(cc1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	6.75
18315-50-9	O=C(Oc1ccc(c(c1)Cl)Cl)NC	2.8
18315-52-1	N#Cc1ccc(OC(=O)NC)cc1	0.95
18315-62-3	O=C(Oc1cc(ccc1Cl)Cl)NC	2.44
18323-44-9	O=C(NC(C1OC(C(O)C(O)C1(O))SC)C(C)Cl)C2N(C)CC(CCC)C2	2.16
18356-28-0	O=C2N1C(=O)CCC1CC2	-1.11
18362-64-6	O=C(CC(=O)C(C)C)C(C)C	2.22
18377-52-1	O=C1N(C(=O)CC1)c2ccccc2[N+](=O)[O-]	0.36
18381-45-8	N#CCCC(OCC)OCC	0.75
18404-43-8	O=C1OCC(=C1)C4CCC5(O)(C6CCC3CC(OC2OC(C)C(O)C(O)C2)CCC3(C)C6(CCC45(C)))	2.51
18438-38-5	n1ccccc1SC	1.71
18453-07-1	n1ccsc1CCN	0.16
18467-77-1	O=C(O)C23(OC1COC(OC1C3(OC(O2)(C)C))(C)C)	1.35
18489-25-3	n1n[nH]c(n1)Cc2ccccc2	1.36
18495-00-6	O=C(N1CCOCC1)COc2ccccc2	0.74
18542-37-5	O=C2OCC3(C=C)(CC(O)C1C(=C)C(=O)OC1C3(C2(=C)))	0.31
18584-93-5	O=C(OC)Nc1cccc(c1)C(F)(F)F	2.74
18588-57-3	n1c(nc(c(c1N)c2ccc(c(c2)Cl)Cl)CC)N	3.03
18597-53-0	O=C2C=C(NN2(c1nc(cc(n1)C)C))C	0.72
18597-55-2	O=C1C=C(NN1c2nc(nc(OC)c2)C)C	0.72
18597-57-4	O=C1C=C(NN1c2nc(nc(c2)C)C)C	0.89
18648-91-4	c1ccc(cc1)C2=C(C)SSC2=S	3.17
18659-24-0	O=C(Oc1ccc(cc1C)C(C)C)NC	3.11
18659-33-1	O=C(Oc1cc(cc(c1)C(C)(C)C)C)NC	3.35
18690-91-0	O=C2c4ccccc4(C(=O)C(=C2(Nc1ccccc1))S(=O)(=O)c3ccccc3)	3.38
18691-97-9	O=C(NC)N(c2nc1ccccc1s2)C	2.64
18694-40-1	n1c(OC)cc(nc1n2nc(cc2(OC))C)C	1.26
18694-41-2	n1cnc(cc1)n2nc(cc2(OC))C	0.5
18694-42-3	n1cnc(cc1OC)n2nc(cc2(OC))C	1.53
18694-43-4	n1c(nc(cc1C)C)n2nc(cc2(OC))C	0.73
18697-50-2	O=C1C=C(N(N1)c2nc(cc(n2)C)C)C	1.29
18697-64-8	O=C1C=C(N(N1)c2ncncc2)C	1.4
18698-96-9	O=C(O)Cc1ccccc1I	2.33
18705-01-6	O=C(Nc1ccccc1)COc2ccccc2	2.73
18705-45-8	C(=Nc1ccc(cc1)c2ccc(N=C=S)cc2)=S	5.5
18708-70-8	O=[N+]([O-])c1c(cc(cc1Cl)Cl)Cl	3.69
18740-23-3	n1cnc(c2c1ccs2)N3CCOCC3	1.65
18774-47-5	N#Cc1c(N)sc2ccccc12	2.17
18818-44-5	O=S2(=O)(NC(=Nc1ccccc12)c3ccccc3)	1.78
18826-96-5	O=C1C(=NN=C(N1(N))SC)C	-0.16
18826-97-6	O=C1C(=NN=C(OC)N1(N))C(C)C	-0.06
18832-83-2	OC(C)C[Hg]Br	0.02
18839-88-8	O=C(N)CCC(NC(=O)C)C(=O)N	-2.05
18854-01-8	n1oc(cc1OP(OCC)(OCC)=S)c2ccccc2	3.73
18859-21-7	O=C(N(c1ccccc1)C)COc2ccccc2	2.25
18874-52-7	O=[N+]([O-])c1[nH]c(nc1Br)C	1.14
18881-04-4	OC1C=C(C)C2CC1C2(C)(C)	3.16
18883-05-1	c1ccc2c(c1)C3CCC2C(NC)C3	2.64
18883-66-4	O=NN(C(=O)NC1C(O)OC(CO)C(O)C1(O))C	-1.07
18925-69-4	O=C(N(C)C)Cc1ccccc1	1.48
18936-17-9	N#CC(C)CC	1.05
18960-16-2	O=C(NC(C)C)c1cnccc1	0.59
18979-50-5	Oc1ccc(OCCC)cc1	2.33
18979-53-8	Oc1ccc(OCCCCC)cc1	3.5
18979-73-2	Oc1cccc(OCCCCC)c1	3.63
18984-21-9	O=[N+]([O-])C=Cc1ccc(cc1Cl)Cl	3.26
18997-88-1	OCC1OC(OCC)C(O)C(O)C1(O)	-2.28
19044-88-3	O=[N+]([O-])c1cc(cc(c1N(CCC)CCC)[N+](=O)[O-])S(=O)(=O)N	3.73
19055-50-6	O=C1c3ccccc3(C(=O)C1c2cc(OC)cc(OC)c2)	2.86
19055-70-0	O=C1c3ccccc3(C(=O)C1c2cccc(c2)C(F)(F)F)	3.78
19064-18-7	Fc1cccc(F)c1CO	1.12
19064-65-4	n1nc(OC)ccc1	0.08
19064-69-8	n1nc(N)c2ccccc2(c1)	0.82
19096-41-4	O=C(NC(C1OC(C(O)C(O)C1(O))SC)C(C)Cl)C2NCC(CCCCC)C2	2.74
19111-80-9	[O-][N+]#Cc1c(cc(cc1C)Br)C	3.63
19130-96-2	OCC1NCC(O)C(O)C1(O)	-1.8
19183-14-3	O=[N+]([O-])c1nc[nH]c1[N+](=O)[O-]	0.65
19183-15-4	O=[N+]([O-])c1ncn(c1[N+](=O)[O-])C	0.41
19183-16-5	O=[N+]([O-])c1nc([nH]c1[N+](=O)[O-])C	0.77
19183-17-6	O=[N+]([O-])c1nc(n(c1[N+](=O)[O-])C)C	0.49
19184-65-7	OCC(CO)(CO)CBr	-0.7
19202-92-7	O=C1OC2CC(C)C4C=CC(=O)C4(C)(C3OC(O)(C)C1(C)C23)	0.3
19213-65-1	O=C1NN=C(C(=O)N1)CC	0.22
19216-39-8	O=C(Nc1c(cccc1C)C)C(N(C)C)C	1.53
19218-88-3	O=C(O)c2ccc(cc2(Nc1ccccc1))Cl	4.25
19230-45-6	O=C(Nc1cccc(c1)I)C	2.64
19271-90-0	O=C(O)COc1ccccc1C(C)(C)C	3.33
19340-77-3	O=C(NCc1ccccc1)CO	0.55
19343-24-9	OC(COCc1ccccc1)CNC(C)C	1.62
19353-97-0	O=C(NN)c1ccnc(OC)c1	-0.1
19353-98-1	O=C(NN)c1ccnc(c1)N(CC)CC	1.12
19365-01-6	O=C1C(O)=CC=CN1C	-0.4
19387-91-8	O=[N+]([O-])c1cnc(n1CCS(=O)(=O)CC)C	-0.35
19387-93-0	O=[N+]([O-])c1cnc(n1CCS(=O)(=O)CCC)C	0.23
19387-94-1	O=[N+]([O-])c1cnc(n1CCS(=O)(=O)C)C	-0.82
19388-12-6	n1c(nc(nc1N)c2ccc(cc2)C)N	1.92
19390-40-0	O=[N+]([O-])c1cnc(n1CCS(=O)(=O)C(C)C)C	0.13
19398-61-9	c1cc(c(cc1Cl)C)Cl	3.97
19411-71-3	O=C(C(=Cc1ccccc1C)C(=O)C)C	1.98
19411-75-7	O=C(C(=Cc1ccc(cc1)Cl)C(=O)C)C	2.32
19411-80-4	O=C(OCC)C(=Cc1ccc(cc1)Cl)C(=O)C	3.04
19411-83-7	O=C(N)C(=Cc1ccccc1)C(=O)N	-0.13
19432-68-9	O=C(OC)Cc1cccs1	1.51
19438-10-9	O=C(OC)c1cccc(O)c1	1.89
19477-31-7	O=S2(=O)(NC=Nc1cc(ccc12)Cl)	1.01
19485-85-9	c1ccc2c(c1)CCC(NC)C2	2.38
19495-05-7	C(=NCc1ccc2ccccc2(c1))=S	4.42
19541-20-9	O=C(OCC)n2c(nc1ccccc12)c3ncsc3	2.51
19590-04-6	O=P(Oc1ccc(cc1)C(C)(C)C)(OC)NC	2.71
19590-05-7	O=P(Oc1cccc(c1)C(C)(C)C)(OC)NC	2.65
19591-17-4	O=C(Nc1ccccc1I)C	1.62
19607-41-1	O=C(OCC)C(C(=O)OCC)=C1SCCS1	2.45
19608-64-1	O=P(Oc1ccccc1Cl)(OC)NC	1.61
19666-30-9	O=C1OC(=NN1c2cc(OC(C)C)c(cc2Cl)Cl)C(C)(C)C	4.8
19670-19-0	O=P(Oc1ccc(cc1)Cl)(OC)NC	1.85
19701-84-9	O=C(NC(C(=O)NC)C(C)C)C	-0.35
19723-86-5	O=C(OC)C(C(=O)OC)=C1SCCS1	1.51
19727-83-4	O=[N+]([O-])c1ccc2c(c1)NCC2	1.92
19730-12-2	n1cccc(c1)CNC(C)C	0.82
19730-13-3	n1cccc(c1)CNCCC	0.9
19730-15-5	n1cccc(c1)CCNCC	0.54
19745-07-4	n1cc(ncc1Cl)Cl	1.58
19768-02-6	n1onc(c1c2ccccc2)c3ccccc3	3.83
19776-98-8	n1c(oc2ccccc12)NC	1.82
19789-60-7	O=C(N)C(NC(=O)C)CCCCN	-2.82
19797-08-1	O=C1N(CC)CCCCC1	0.65
19829-29-9	C1=CC(C=CN1)=S	0.2
19837-74-2	O=S(=O)(Nc1ccc(OC)cc1)c2ccc(N)cc2	1.51
19837-84-4	O=S(=O)(Nc1ccccc1(OC))c2ccc(N)cc2	1.56
19837-85-5	O=S(=O)(Nc1ccccc1Cl)c2ccc(N)cc2	2
19837-88-8	O=[N+]([O-])c2ccccc2(NS(=O)(=O)c1ccc(N)cc1)	2.11
19847-12-2	N#Cc1nccnc1	-0.01
19852-25-6	O=C1C=C(Oc2cccc(O)c12)c3ccc(O)c(O)c3	3.31
19860-27-6	O=C2NC(c1ccccc1)C(=O)C2	0.48
19865-55-5	[O-][N+](=Cc1ccc(cc1)C)c2ccccc2	2.41
19918-36-6	FC(F)(F)c1nc2cnccc2([nH]1)	0.94
19934-51-1	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Cl)(Cl)Cl	1.97
19937-59-8	O=C(Nc1ccc(OC)c(c1)Cl)N(C)C	1.64
19961-27-4	N(CC)C(C)C	0.93
19982-08-2	NC13(CC2CC(C)(C1)CC(C)(C2)C3)	3.28
20020-02-4	c1ccc2c(c1)c(c(c(c2Cl)Cl)Cl)Cl	5.75
20037-50-7	O=C(NS(=O)(=O)c1ccc(N)cc1)c2cc(ccc2C)C	2.19
20046-63-3	O=S2(=O)(NC(=Nc1ccc(cc12)C(F)(F)F)C)	1.51
20056-71-7	Oc1ccccc1CCCCCCCCCCC	7.17
20056-72-8	Oc1cccc(c1)CCCCCCCCCCC	6.98
20056-73-9	Oc1ccc(cc1)CCCCCCCCCCC	7.18
20057-31-2	C=C(c1ccccc1)CC(Cl)(Cl)Cl	4.56
20071-53-8	O=C1OC3C(C1(=C))C(OC(=O)C(=CC)C)CC(=C)C4C(O)C2OC2(C)C34(O)	1.69
20149-84-2	O=C(Nc1ccc(c(c1)Cl)Cl)CCl	3.29
20173-04-0	n1cccc(c1)CNC	0.39
20173-12-0	n1cccc(c1)CNCCCC	1.34
20173-18-6	n1cccc(c1)CN(C(C)C)C(C)C	2.27
20173-26-6	n1cccc(c1)CCN(C)C	0.82
20173-28-8	n1cccc(c1)CCN2CCCC2	1.34
20173-34-6	n1cccc(c1)CCN(CC)CC	1.23
20193-21-9	N(CCC)CCCC	2.12
20225-24-5	O=C(O)C(CC)CCC	2.23
20240-99-7	N(=NN(C)C)c1ccccc1(OC)	2.34
20241-00-3	N(=NN(C)C)c1ccccc1Cl	3.03
20241-03-6	N(=NN(C)C)c1cccc(c1)C	2.85
20241-05-8	N(=NN(C)C)c1cccc(c1)Cl	3.44
20241-06-9	O=[N+]([O-])c1cccc(N=NN(C)C)c1	2.75
20241-07-0	O=C(O)c1cccc(N=NN(C)C)c1	2.03
20252-42-0	O=CC=CC#CC#Cc1ccccc1	3.09
20252-43-1	O=C(OCC=CC#CC#Cc1ccccc1)C	3.88
20274-94-6	OCC2OC(Oc1ccc(cc1)C)C(O)C(O)C2(O)	-0.16
20282-30-8	c1ccc(cc1)c2cccc(c2)C(C)C	5.33
20285-70-5	n1cc(c(nc1N)N)Cc2ccc(OC)cc2	1.34
20285-74-9	n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(c2)Cl	1.92
20292-08-4	O=C(OCC(CC)CCCC)CCCCCCCCCCC	8.03
20300-02-1	NC(c1cccs1)=S	1.34
20308-67-2	O=C(c1ccccc1(OCC))N2CCCCC2	2.6
20330-45-4	O=C(Nc1ccc(cc1)C(C)(C)C)C	3.05
20330-99-8	O=C(Nc1ccc(cc1)CCC)C	2.75
20344-69-8	n1cc(c(nc1N)N)Cc2cc(OC)cc(OC)c2	1.57
20383-28-2	O=C(c1ccccc1)N(C(C)C)C(C)C	2.5
20404-02-8	O=[N+]([O-])c1cc(c(O)c(c1Cl)Cl)Cl	3.93
20417-83-8	O=C(ON=C(C)C([N+](=O)[O-])(C)C)NC	0.66
20434-64-4	O=S2(=O)(NC(=Nc1ccccc12)C3CCCC3)	1.83
20434-66-6	O=S2(=O)(NC(=Nc1ccccc12)Cc3ccccc3)	1.89
20451-62-1	O=C(OCC)C(=Cc1ccc(OC)c(OC)c1)C(=O)C	2.02
20501-52-4	O=C1OC2C(C1(=C))C(OC(=O)C(=CC)C)CC(O)(CCl)C3C(OC(=O)C)C=C(C)C23(O)	1.42
20511-04-0	O=C(C=Cc1ccc(cc1)Br)C	3.03
20587-61-5	O=C(OCCOCCO)c1ccccc1	1.16
20605-19-0	O=C(NN)NCCCC	-0.6
20634-92-8	N(CC)(CCC)CCC	2.68
20651-71-2	O=C(O)c1ccc(cc1)CCCC	3.97
20668-13-7	O=C(OC)Nc1ccccc1Cl	2.16
20682-52-4	O=CN(c1c(cccc1C)C)CCN(CC)CC	3.21
20725-03-5	O=C2c3ccc(O)cc3(OC(c1ccc(O)c(O)c1)C2(O))	0.87
20733-11-3	n1ncc(OC)cc1	-0.31
20744-39-2	n1ncc(N)cc1	-0.53
20766-31-8	O=C(C=Cc1cccc(OC)c1)C	2.27
20766-36-3	O=C(C=Cc1cccc(c1)Cl)C	2.81
20766-37-4	O=C(C=Cc1ccccc1Cl)C	2.85
20772-21-8	OCC2OC(Oc1cc(cc(c1)C)C)C(O)C(O)C2(O)	0.26
20772-23-0	OCC2OC(Oc1cc(ccc1C(C)C)C)C(O)C(O)C2(O)	1.07
20772-25-2	FC(F)(F)c2cccc(OC1OC(CO)C(O)C(O)C1(O))c2	0.49
20782-57-4	O=C(Nc1ccc(OC)c(c1)Cl)NC	1.76
20818-25-1	OCC2OC(Oc1ccc(N)cc1)C(O)C(O)C2(O)	-2.67
20829-53-2	O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc4c[nH]c3ccccc34	1.05
20830-75-5	O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(O)C67(C)))	1.26
20830-81-3	O=C1c5cccc(OC)c5(C(=O)c2c(O)c4c(c(O)c12)CC(O)(C(=O)C)CC4(OC3OC(C)C(O)C(N)C3))	1.83
20838-34-0	OCC2OC(Oc1cccc(c1)CC)C(O)C(O)C2(O)	0.31
20838-36-2	OCC2OC(Oc1cccc(c1)C(C)(C)C)C(O)C(O)C2(O)	1.01
20838-40-8	OCC2OC(Oc1ccc(cc1)I)C(O)C(O)C2(O)	0.75
20838-44-2	O=[N+]([O-])c2cccc(OC1OC(CO)C(O)C(O)C1(O))c2	-0.51
20863-54-1	o1ccc(c1CN(C)C)C	1.63
20893-30-5	N#CCc1cccs1	1.26
20917-49-1	O=NN1CCCCCCC1	1.48
20917-50-4	O=NN1CCCCCCCC1	2.04
20940-43-6	O=C(Nc1ccc(cc1)Br)N(C)C	2.19
20980-22-7	n1cccnc1N2CCNCC2	0.49
20991-71-3	O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(OC(=O)C)C67(C)))	2.29
21003-78-1	O=C(O)c2ccccc2(Nc1cccc(O)c1)	3.49
21085-18-7	O=C1C(=NN=C(N1(N))SC)CCC(C)C	1.85
21085-19-8	O=C1C(=NN=C(N1(N))SC)C2CCCCC2	2.14
21085-20-1	O=C1C(=NN=C(N1(N))SC)CCCCCC	2.68
21085-65-4	O=C(NC(C(O)C)C1OC(C(O)C(O)C1(O))SCC)C2N(CC)CC(CCC)C2	1.91
21087-57-0	O=C1C(=NN=C(NC)N1(N))C(C)C	0.3
21087-58-1	O=C1C(=NN=C(N1(N))SC)C2OCCCC2	0.38
21087-59-2	O=C1C(=NN=C(N1(N))SC)CC	0.46
21087-60-5	O=C1C(=NN=C(N1(N))SC)CCC	0.93
21087-61-6	O=C1C(=NN=C(N1(N))SC)C(C)C	1.01
21087-62-7	O=C1C(=NN=C(N1(N))SC)CC(C)C	1.39
21087-63-8	O=C1C(=NN=C(N1(N))SC)c2ccccc2	1.66
21087-64-9	O=C1C(=NN=C(N1(N))SC)C(C)(C)C	1.7
21117-51-1	O=[N+]([O-])OCCn1c(ncc1[N+](=O)[O-])C	0.81
21117-52-2	O=[N+]([O-])c1nc(n(c1Br)C)C	0.44
21149-88-2	O=C1NC(=O)C(C(=O)N1)(CC=C(C)C)CC	1.73
21154-18-7	n1c2ccccc2(ccc1N(C)C)	2.81
21156-62-7	O=C(OC)C(NC(=O)C)Cc1ccccc1	0.92
21203-68-9	O=[N+]([O-])c1cnc(cc1)C	0.99
21227-47-4	n1c(nc(nc1C)C(Cl)(Cl)Cl)N	1.77
21236-52-2	O=C(Nc1c(cccc1C)C)CCN(CC)CC	2.21
21236-53-3	O=C(Nc1c(cccc1C)C)CCCN(CC)CC	2.06
21236-54-4	O=C(Nc1c(cccc1C)C)CN(C)C	0.94
21238-30-2	O=CCC3CC(C(=O)C=CC=CCC(OC(=O)CC(OC(=O)C)C(OC)C3(OC2OC(C)C(OC1OC(C)C(OC(=O)CC(C)C)C(O)(C)C1)C(N(C)C)C2(O)))C)C	3.52
21244-66-6	O=C(N)c1[nH]cnc1(N=NN(CCO)CCO)	-1.09
21253-58-7	Oc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	0.37
21256-18-8	O=C(O)CCc1nc(c(o1)c2ccccc2)c3ccccc3	4.19
21270-93-9	O=C(NC1CC(C)(C)N(=O)C(C)(C)C1)CCC	1.35
21306-55-8	N=C(N)NC(=N)NCCCCC	-1.02
21316-30-3	N=1C(=NC(N(C=1N)c2ccc(OC)cc2)(C)C)N	0.4
21327-86-6	O=C(O)c1c(cccc1Cl)C	2.31
21352-09-0	O=C(Nc1c(cccc1Cl)C)C	1.22
21352-21-6	O=C(Nc1nccnc1)C	-0.03
21392-61-0	c1ccc(cc1)[Hg]C	1.86
21402-86-8	O=C(NCC)c1occc1	0.61
21413-25-2	O=C2NC(=O)C(c1ccccc1)(N2S(=O)(=O)c3ccccc3)CC	2.44
21413-28-5	O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccccc4	4.04
21413-53-6	O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccc(cc4)[N+](=O)[O-]	4.04
21431-58-3	O=[N+]([O-])c1c(nc(n1C)C)Br	0.87
21507-14-2	Oc1ccc2c(c1)CCC3C2C(OC)CC4(C)(C(O)CCC34)	2.72
21561-99-9	O=NN(C(=O)Nc1ccccc1)C	1.72
21564-17-0	N#CSCSc2nc1ccccc1s2	3.3
21577-72-0	N1C(CCCCCCC1)=S	1.44
21593-23-7	O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)CSc1ccncc1))	-1.15
21609-90-5	O(c1cc(c(cc1Cl)Br)Cl)P(OC)(c2ccccc2)=S	6.31
21704-31-4	Oc1cccc(c1(O))CCCCCCCCCCC	6.3
21724-58-3	O=C(NC(=N)N)Nc1ccc(c(c1)Cl)Cl	2.39
21725-46-2	N#CC(Nc1nc(nc(n1)Cl)NCC)(C)C	2.22
21738-42-1	O=[N+]([O-])c1cc2NC(CNC(C)C)CCc2(cc1CO)	2.24
21787-89-3	O=[N+]([O-])c1nccn1CC(O)COCC=C	0.4
21787-91-7	O=[N+]([O-])c1nccn1CC(O)COCC(F)(F)F	0.52
21787-95-1	O=C(COC)Cn1ccnc1[N+](=O)[O-]	-0.26
21788-11-4	O=[N+]([O-])c1nccn1CC(O)COc2ccccc2	1.43
21822-34-4	n1cc(c(nc1N)N)Cc3cc(OC)c(OCc2ccccc2)c(OC)c3	2.46
21839-33-8	O=C(OCC)N1C=C(F)C(=O)NC1(=O)	-0.17
21840-66-4	O(c1ccc(c(c1)Cl)SC)P(OCC)(OCC)=S	5.06
21864-67-5	O=C(N)c1c(OC)cccc1(OC)	-0.22
21888-98-2	O=C2NC(=O)C(c1ccccc1)(CC2)C4CCN(Cc3ccccc3)CC4	3.55
21899-50-3	O=C(OC2CC1=CC(OC1(=O))CC4(OC4(C3OC(=O)C(=C)C23))(C))C=C(C)C	1.05
21905-82-8	O=[N+]([O-])c1nnc2ccccc2(c1)	0.73
21914-07-8	O=C3NC(=O)C(c1ccccc1)(c2ccccc2)C(=O)N3	1.96
21919-05-1	O=C(N)c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CC2	-0.02
21948-70-9	n1ccnc(c1)SC	1.17
21948-73-2	n1cc(nc2ccccc12)SC	2.79
21959-57-9	O=[N+]([O-])c2oc(C=Cc1noc(n1)N)cc2	1.3
21988-05-6	O=[N+]([O-])c1ccc(cc1C(F)(F)F)S(=O)(=O)N	1.73
21998-12-9	O=C(Oc1ccc(cc1)C(=O)OC)NC	1.5
22004-32-6	O(c1cc(c(OC)cc1CC)CC(N)C)C	2.81
22010-25-9	O=C(Nc1ccc(c(c1)Cl)Cl)CN2CCCCC2	3.65
22020-28-6	O=C(OCCCC)C=Cc1ccc(O)c(O)c1	3.53
22026-39-7	O=C(NN)c1ccc2OCOc2(c1)	1.16
22037-28-1	o1ccc(c1)Br	2.18
22042-71-3	O=Cc1ccc(OCC(=O)O)cc1	0.79
22059-21-8	O=C(O)C1(N)(CC1)	-2.78
22071-15-4	O=C(O)C(c1cccc(c1)C(=O)c2ccccc2)C	3.12
22131-79-9	O=C(O)Cc1ccc(OCC=C)c(c1)Cl	2.48
22138-39-2	C1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	3.45
22175-22-0	O=C(Nc1ccc(c(c1)Cl)C)NC	2.61
22181-94-8	O=C(OCC)CNC(=O)CCCCSc2ncnc1[nH]cnc12	0.91
22189-31-7	O=S(=O)(c1ccc4c(c1)C(=CCCN2CCN(C)CC2)c3ccccc3S4)N(C)C	3.78
22204-53-1	O=C(O)C(c1ccc2cc(OC)ccc2(c1))C	3.18
22224-92-6	O=P(Oc1ccc(c(c1)C)SC)(OCC)NC(C)C	3.23
22274-42-6	O(c1ccccc1)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	6.37
22275-34-9	O=C2NC(=O)C(c1ccccc1)C(=O)N2	-0.17
22278-77-9	O=C1C(=NN=C(N1(N))S)C(C)C	1.22
22305-44-8	O=C1c2ccccc2(N=NN1C)	0.84
22316-47-8	O=C3N(c1ccccc1)c2cc(ccc2N(C(=O)C3)C)Cl	2.12
22342-21-8	O=C(c1ccccc1Cl)N2CCCCC2	2.8
22371-32-0	O=C(NN)CCCCCC	0.97
22374-89-6	NC(C)CCc1ccccc1	2.12
22385-99-5	O=C(c1ccccc1)C(C)CN2CCCCC2	3.51
22399-00-4	O=C(OCC)C(=Cc1ccc(cc1)[N+](=O)[O-])C(=O)OCC	3.03
22399-01-5	O=C(OCC)C(=Cc1ccc(cc1)Br)C(=O)OCC	4.02
22409-37-6	O=C(N)CCOc1ccccc1	0.8
22433-76-7	O=C(Nc1ccc2ncccc2(c1))C	1.55
22494-42-4	O=C(O)c1cc(ccc1(O))c2ccc(F)cc2(F)	4.44
22526-29-0	O=C(c1ccncc1)c2ccccc2(O)	2.13
22609-88-7	O=C1OC(C(=O)C1)c2ccccc2	1.47
22627-00-5	N=C(c1ccccc1)c2ccccc2C	3.21
22627-01-6	N=C(c1ccccc1C)c2ccccc2C	3.31
22627-02-7	N=C(c1ccccc1)c2c(cccc2C)C	3.53
22639-24-3	O=C1C=C(OC(=C1(O))CC)C	1.07
22664-55-7	O=C(Oc1c(cc(OCC(O)CNC(C)C)c(c1C)C)C)C	2.66
22680-31-5	O=S2(=O)(NC(=Nc1cccc(c12)Cl)C)	0.62
22707-38-6	O=C(N1C(=O)CCC1)CCC	1.18
22715-68-0	O=C(NC(C(=O)NC)C)C	-1.21
22726-00-7	O=C(N)c1cccc(c1)Br	1.65
22731-28-8	O=C(c1ccccc1)c2ccc(cc2)NS(=O)(=O)C(F)(F)F	4.28
22736-85-2	O=C(c1ccccc1)c2cccc(c2)NS(=O)(=O)C(F)F	2.86
22754-37-6	O=C(OCCCC)C1=CC(=O)NC(=O)N1	1.06
22781-23-3	O=C(Oc1cccc2OC(Oc12)(C)C)NC	1.7
22808-73-7	O=C(OC)c1ccc(cc1)S(=O)(=O)N	0.64
22813-31-6	O=C(OC)Cn1ccnc1[N+](=O)[O-]	-0.09
22821-80-3	O=C(Nc1ccc(cc1)S(=O)(=O)C)C	0.58
22900-79-4	O=C(Nc1cc(c(O)c(c1)C)C)C	1.11
22903-73-7	O=C(N)Cn1ccnc1[N+](=O)[O-]	-1.22
22913-26-4	O=C(OC)c1ccsc1	1.76
22928-63-8	N1C(CCCCCC1)=S	1
22936-75-0	n1c(nc(nc1NC(C)C(C)C)SC)NCC	3.9
22936-85-2	n1c(nc(nc1NC2CC2)Cl)NCC	2.17
22936-86-3	n1c(nc(nc1NC2CC2)Cl)NC(C)C	3.06
22994-85-0	O=C(NCc1ccccc1)Cn2ccnc2[N+](=O)[O-]	0.91
23022-51-7	O=C(OCCOCCOCCO)c1ccccc1	1.09
23031-25-6	Oc1cc(O)cc(c1)C(O)CNC(C)(C)C	0.9
23031-36-9	O=C(OC1C(=C(C(=O)C1)CC#C)C)C2C(C=C(C)C)C2(C)(C)	4.49
23046-86-8	O=CNC(=O)C1CCC1	-0.7
23046-87-9	O=C(NC(=O)C1CCC1)CC	-0.04
23046-88-0	O=C(NC(=O)C1CCC1)C(C)C	0.26
23068-36-2	O=C(Nc1cccc(c1Cl)Cl)C	2.09
23088-24-6	N#Cc1ccc2nccnc2(c1)	1.01
23092-17-3	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)CC(F)(F)F	3.97
23099-85-6	n1nc(c3ccccc3(c1c2ccccc2))N(C)C	3.22
23103-98-2	O=C(Oc1nc(nc(c1C)C)N(C)C)N(C)C	1.7
23120-99-2	C[Sn]C	-3.1
23135-22-0	O=C(ON=C(C(=O)N(C)C)SC)NC	-0.48
23138-95-6	O=C(Nc1cccc(c1)CC)NC	2.1
23138-98-9	O=C(Nc1cccc(OC)c1)NC	1.26
23141-75-5	O=S(=O)(N)c1ccc2N=CNS(=O)(=O)c2(c1)	-0.7
23141-80-2	O=S(=O)(N)c2cc1c(N=CNS1(=O)(=O))cc2C(F)(F)C(F)(F)F	1.05
23141-81-3	O=[N+]([O-])c1cc2N=CNS(=O)(=O)c2(cc1S(=O)(=O)N)	0.08
23141-82-4	O=S(=O)(N)c1ccc2NCNS(=O)(=O)c2(c1)	-0.52
23141-83-5	O=S(=O)(N)c1cc2c(cc1Br)NCNS2(=O)(=O)	0.08
23141-84-6	O=S(=O)(N)c1cc2c(cc1Cl)NC(NS2(=O)(=O))C(C)(C)C	0.36
23141-86-8	O=S(=O)(N)c1ccc2NC(NS(=O)(=O)c2(c1))CC3CCCC3	1.24
23141-87-9	O=S(=O)(N)c1ccc2NC(NS(=O)(=O)c2(c1))C(Cl)Cl	0.51
23141-88-0	O=[N+]([O-])c1cc2NCNS(=O)(=O)c2(cc1S(=O)(=O)N)	0.2
23186-94-9	O=C1NC(=O)C(N1)(Cc2ccccc2)Cc3ccccc3	2.46
23189-28-8	O=C(O)Cc2ccccc2(Nc1c(cccc1Cl)C)	4.37
23193-98-8	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))SC)C	2.95
23214-92-8	O=C1c5cccc(OC)c5(C(=O)c2c(O)c4c(c(O)c12)CC(O)(C(=O)CO)CC4(OC3OC(C)C(O)C(N)C3))	1.27
23222-62-0	O1CCN(CC1c2ccccc2)C(C)C	2.3
23246-36-8	C(=Nc1ccc(cc1)Nc2ccccc2)=S	4.94
23251-68-5	O=C1OC(=CC#CC=CC)C=C1	2.09
23261-20-3	OC(C(O)C1OC1)C2OC2	-1.29
23264-57-5	O=NN1C(C)C(N(N=O)C(C)C1C)C	0.91
23361-37-7	O=C(N)C(NC(=O)C)CCSC	-0.6
23361-38-8	O=C(NC(C(=O)N)CO)C	-1.87
23374-49-4	O=C(OCCCC)CNC(=O)CCCCSc2ncnc1[nH]cnc12	1.39
23374-51-8	O=C(OCC)C(NC(=O)CCCCSc2ncnc1[nH]cnc12)C	1.51
23375-06-6	O=S(=O)(Nc1ccc(cc1)SC)C(F)(F)F	3.74
23375-08-8	O=S(=O)(Nc1cccc(c1)S(=O)(=O)C)C(F)(F)F	1.85
23375-10-2	O=S(=O)(Nc1ccc(cc1)S(=O)(=O)C)C(F)(F)F	1.99
23375-11-3	O=C(c1cccc(c1)NS(=O)(=O)C(F)(F)F)C	2.78
23375-12-4	O=S(=O)(Nc1cccc(O)c1)C(F)(F)F	2.51
23383-94-0	O=C(c1ccc(cc1)NS(=O)(=O)C(F)(F)F)C	2.83
23383-96-2	O=S(=O)(Nc1ccc(cc1Cl)Cl)C(F)(F)F	3.88
23384-00-1	O=S(=O)(Nc1ccc(F)cc1)C(F)(F)F	3.25
23384-01-2	O=S(=O)(Nc1cccc(F)c1)C(F)(F)F	3.42
23384-03-4	O=S(=O)(Nc1cccc(c1)Cl)C(F)(F)F	4
23384-04-5	O=S(=O)(Nc1ccc(cc1)Cl)C(F)(F)F	3.96
23384-08-9	O=S(=O)(Nc1cccc(c1)Br)C(F)(F)F	3.82
23384-10-3	O=S(=O)(Nc1ccc(cc1)I)C(F)(F)F	4.39
23384-11-4	O=S(=O)(Nc1cccc(c1)C(F)(F)F)C(F)(F)F	4.5
23384-12-5	O=S(=O)(Nc1ccc(cc1)C(F)(F)F)C(F)(F)F	4.47
23384-22-7	O=S(=O)(Nc1ccc(F)cc1(F))C(F)(F)F	3.06
23384-33-0	O=S(=O)(Nc1cccc(OC)c1)C(F)(F)F	3.13
23384-34-1	O=S(=O)(Nc1ccc(OC)cc1)C(F)(F)F	3
23401-43-6	O=C(OCC)C(NC(=O)CCCCSc2ncnc1[nH]cnc12)C(C)C	1.89
23404-73-1	O=C(OCC)CC(NC(=O)CCCCSc2ncnc1[nH]cnc12)C(=O)OCC	1.33
23409-17-8	O=C(Oc1ccccc1(OCC))NC	1.24
23434-86-8	O=C(C=Cc1ccc2OCOc2(c1))N3CCCCC3	2.82
23441-75-0	O=C2N=C(c1ccccc1)c3ccccc3(N2)	1.91
23443-12-1	O=C1C=CN=C2C(=CC=CN12)C	0.79
23443-20-1	O=C1C=CN=C2C=CC(=CN12)C	0.61
23456-95-3	N#Cc1ccc(N=NN(C)C)cc1	2.39
23478-26-4	O=C(Nc1cccc(O)c1)Cc2ccccc2	2.22
23484-11-9	O=C(NC2c1ccccc1N(=O)CC2)C	-0.11
23505-41-1	n1c(OP(OCC)(OCC)=S)cc(nc1N(CC)CC)C	4.85
23549-54-4	O=C(N)NC(=O)C(C)C	0.04
23564-05-8	O=C(OC)NC(Nc1ccccc1(NC(NC(=O)OC)=S))=S	1.4
23571-34-8	O=[N+]([O-])c1ncc(n1C)C(C)C	1.09
23571-38-2	O=[N+]([O-])c1ncc(n1CCO)C	0.18
23597-82-2	O=C(OCCCCCC)c1cnccc1	3.51
23611-75-8	O=C(OC)c1nc(cnc1)Cl	0.47
23690-13-3	O(c1ccc(c(OC)c1)CC(N)C)C	1.75
23694-81-7	OC(COc1cccc2[nH]c(cc12)C)CNC(C)C	2.3
23702-98-9	OC(c1ccccc1)C2NCCCC2	1.58
23742-02-1	O=C(N)C(c1ccc2OCOc2(c1))(CC)CC	1.59
23757-42-8	FC(F)(F)C1(N=C(N)C(N1)(C(F)(F)F)C(F)(F)F)C(F)(F)F	3.35
23795-32-6	O=C(C=Cc1ccc2OCOc2(c1))N(CC(C)C)CC(C)C	4.37
23813-24-3	O=C(OC)c1nc(OC)cnc1	0.69
23815-28-3	O=S(=O)(N)c1ccc(c(c1)Cl)Cl	1.44
23885-56-5	O=C(NC(CO)C(O)c1ccc(cc1)c2ccccc2)C(Cl)Cl	2.86
23885-59-8	O=C(NC(CO)C(O)c1ccc(cc1)Br)C(Cl)Cl	1.87
23885-61-2	N#Cc1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO	0.78
23885-69-0	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CCC	0.87
23885-71-4	N#CCC(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-]	-0.22
23893-07-4	O=C(OC3C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C3(O)(C))C)C)C	2.85
23898-86-4	O=C1C=C(N(N1c2nc(nc(c2)C)C)C)C	0.24
23898-89-7	O=C1C=C(N(N1c2nc(nc(OC)c2)C)C)C	0.7
23898-90-0	O=C1C=C(NN1c2nc(nc(c2)C)OC)C	1.03
23898-92-2	O=C2C=C(N(c1nc(cc(n1)C)C)N2C)C	0.51
23898-95-5	O=C2C=C(N(c1nc(nc(OC)c1)C)N2C)C	0.38
23903-40-4	n1cnc(cc1)n2nc(OC)cc2C	2.21
23903-41-5	n1c(nc(cc1n2nc(OC)cc2C)C)C	2.6
23903-42-6	n1c(OC)cc(nc1C)n2nc(cc2(OC))C	1.54
23905-77-3	n1c(nc(cc1C)C)n2nc(OC)cc2C	1.82
23905-85-3	O=C1C=C(N(N1)c2nc(OC)cc(n2)OC)C	1.16
23905-98-8	n1c(nc(cc1OC)n2nc(cc2(OC))C)OC	1.86
23906-03-8	O=C1C=C(N(N1c2ncnc(OC)c2)C)C	0.3
23917-23-9	O=C1C=C(NN1c2ncnc(OC)c2)C	0.99
23917-24-0	n1ccc(nc1n2nc(cc2(OC))C)OC	1.01
23972-41-0	O1CCNCC1c2ccccc2	1.11
23976-66-1	OCCOc1c(cc(cc1Br)Br)Br	3.42
24017-47-8	n1cn(nc1OP(OCC)(OCC)=S)c2ccccc2	3.34
24096-53-5	O=C2N(c1cc(cc(c1)Cl)Cl)C(=O)CC2	1.4
24106-05-6	O=C(Nc1ccc(cc1C)Br)C	2.03
24108-33-6	n1nc(ncc1)C	-1.31
24141-52-4	O=C(OC)C1C(C=C(C)C)C1(C)(C)	3.76
24151-93-7	O=C(N1CCCCC1C)CSP(OCCC)(OCCC)=S	4.04
24240-65-1	O=[N+]([O-])c2cnc(N=C1OCCN1CCO)s2	0.43
24240-67-3	O=[N+]([O-])c2cnc(N=C1N(CCO)CCS1)s2	1.28
24279-91-2	O=C(OCC(OC)C=1C(=O)C(=C(C(=O)C=1N2CC2)C)N3CC3)N	-0.15
24282-71-1	O=C(NCCC)c1oc2ccccc2(c1)	2.65
24292-54-4	O=C2c3c(O)cccc3(OC(c1ccc(O)c(O)c1)C2)	2.81
24305-27-9	O=C(N)C3N(C(=O)C(NC(=O)C1NC(=O)CC1)Cc2nc[nH]c2)CCC3	-2.46
24310-18-7	O=C(NN)CC(C)C	-0.31
24324-17-2	OCC2c3ccccc3(c1ccccc12)	2.89
24331-75-7	O=C(OCC)C(=Cc1ccccc1C)C(=O)OCC	3.22
24331-83-7	O=C(OCC)C(=Cc1ccc(O)c(OC)c1)C(=O)OCC	2.89
24353-61-5	O=C(OC(C)C)c1ccccc1(OP(OC)(N)=S)	2.7
24380-92-5	n1cccc(c1)C2N(C)CCCC2	0.96
24385-10-2	O=C1c4cccc(OC)c4(C(=O)c2c(O)c3c(c(O)c12)CC(O)(C(=O)CO)CC3(O))	2.74
24397-14-6	O=C(O)c1ccc(N)cc1(OCCCCCC)	3.22
24423-11-8	c1ccc3c(c1)ccc2cc(ccc23)Cl	5.16
24448-94-0	O=C1NC(=O)C(C(=O)N1)(C)C	-0.44
24454-46-4	O=C(N)c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2	0.9
24478-72-6	o2c1ccccc1c3c2c(c(c(c3Cl)Cl)Cl)Cl	6.17
24493-78-5	O=P(Oc1ccc(cc1Cl)SC)(OCC)OCC	3.05
24535-70-4	O=C(NCC)NS(=O)(=O)c1ccc(cc1)Cl	1.79
24544-04-5	Nc1c(cccc1C(C)C)C(C)C	3.18
24550-11-6	O=C(Nc2ccc(Oc1ncccc1)cc2)C	1.57
24568-11-4	O=C(Nc1ccc(cc1)Br)C(F)(F)F	3.34
24568-14-7	O=C(OCC)c1ccc(cc1)NC(=O)C(F)(F)F	2.25
24570-14-7	O=C(NC)c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CC2	0.44
24570-16-9	O=C(NC1CC1)c2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])N3CC3	0.74
24579-73-5	O=C(OCCC)NCCCN(C)C	1.12
24632-47-1	O=C(NN=Cc1oc(cc1)[N+](=O)[O-])CN2CCN(C)CC2	-0.1
24759-34-0	O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccc(N)cc4	3.27
24759-38-4	O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccc(cc4)Cl	4.48
24759-41-9	O=C3NC(=O)C(c1ccccc1)(c2ccccc2)N3S(=O)(=O)c4ccccc4C	4
24786-13-8	n1onc(c1c2ccccc2)Cl	3.2
24798-19-4	n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(c2)C	1.62
24803-16-5	n1c(nc(nc1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)NCc2ccccc2	4.93
24803-52-9	n1c(nc(nc1C)C(Cl)(Cl)Cl)NCCC	3.29
24809-26-5	O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc2ccccc2	1.19
24830-33-9	n1c(nc(nc1C)C(Cl)(Cl)Cl)NC	2.43
24847-46-9	O=C(NC)C1N(C(=O)C)CCC1	-1.19
24847-58-3	O=C(OCC(CC)CC)N	1.98
24849-83-0	n1cc(c(nc1N)N)Cc2cc(OC)c(OC)cc2Br	1.64
24903-72-8	n1cnc(OCC)cc1	0.97
24910-68-7	O(c1ccccc1)c2cc(cc(c2)Cl)Cl	5.21
24910-69-8	O(c1ccccc1)c2cc(ccc2Cl)Cl	5.13
24910-73-4	O(c1ccc(cc1)Cl)c2cc(cc(c2)Cl)Cl	5.77
24964-64-5	N#Cc1cccc(C=O)c1	1.18
25006-32-0	O=P(Oc1cc(c(cc1Cl)Br)Cl)(OC)c2ccccc2	4.58
25007-30-1	O=C(Oc1ccccc1C(C)C)N(C)C	2.65
25021-08-3	O=C(O)CN1C(=O)C=CC1(=O)	-0.14
25052-57-7	O=C(Nc1ccc(c(c1)Cl)Cl)SC	4.23
25057-89-0	O=C1c2ccccc2(NS(=O)(=O)N1C(C)C)	2.34
25059-80-7	O=C(OCC)CN2C(=O)Sc1cccc(c12)Cl	2.5
25116-00-1	N#Cc1ccccc1(NC(=O)C)	0.57
25122-41-2	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CCl)C4(C)(CC(O)C23(F)))(C)	2.48
25122-43-4	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CBr)C4(C)(CC(=O)C23(F)))(C)	3.55
25122-46-7	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(O)C23(F)))(C)	3.5
25122-47-8	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCC)(C(=O)CCl)C4(C)(CC(O)C23(F)))(C)	3.63
25122-49-0	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(O)C23Cl))(C)	3.28
25122-56-9	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(=O)C23(F)))(C)	3.46
25122-57-0	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCC)(C(=O)CCl)C4(C)(CC(=O)C23(F)))(C)	3.76
25126-19-6	O=C(NC(CO)C(O)c1ccccc1)C(Cl)Cl	0.94
25141-58-6	O=C(O)COc1ccccc1C(C)C	2.84
25152-20-9	O=C1NC(=O)N(C=C1C)C2OC(CN)C(O)C2	-2.05
25186-47-4	c1c(cc(cc1Cl)Cl)C	3.99
25204-89-1	O=C(O)C(Oc1ccc(cc1C)Cl)CC	3.47
25209-50-1	O=C(O)Cc1ccc(cc1)C2CCCC2	3.44
25216-70-0	O=C(OC)Nc1ccccc1Br	2.3
25216-72-2	O=C(OC)Nc1cccc(c1)Br	2.75
25270-44-4	O=C(Nc1ccccc1)NS(=O)(=O)c2ccc(cc2)Cl	3.61
25277-05-8	O=C(N)Nc1ccc(OC)c(c1)Cl	1.37
25283-63-0	O=C(c1cnc2ccccc2(c1))N(C)C	0.99
25311-71-1	O=C(OC(C)C)c1ccccc1(OP(OCC)(NC(C)C)=S)	4.12
25314-91-4	O=C(c2c[nH]c1ccccc12)C	2.06
25319-90-8	O=C(COc1ccc(cc1C)Cl)SCC	4.05
25366-23-8	O=C(NC)N(c1nnc(C(F)(F)F)s1)C	1.85
25371-75-9	O(CCC)P(OCCC)(C)=S	3.26
25384-17-2	O=C(OC2(c1ccccc1)(CCN(C)CC2(CC=C)))CC	2.97
25405-65-6	O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)C(O)C(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C	1.44
25413-64-3	O=NN(CCC)CCCC	2.09
25414-22-6	o1cccc1OC	1.44
25423-22-7	[N-]=[N+]=NC1C(O)C(OC(C)C1(O))OC3C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC3(O)(C))C)C	1.79
25429-23-6	C(=CBr)Br	1.76
25444-83-1	N(C(NC23(CC1CC(CC(C1)C2)C3))=S)C	2.67
25445-77-6	n1nscc1c2ccccc2	2.42
25460-87-1	O=C(O)CCC(NC(=O)C)C(=O)N	-2.47
25526-93-6	O=C1NC(=O)N(C=C1C)C2OC(CO)C(F)C2	-0.28
25569-80-6	c1ccc(c(c1)c2cccc(c2)Cl)Cl	5.02
25580-68-1	O=C2C(=CC=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2C	1.4
25580-69-2	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=N)N2C	1.44
25602-39-5	O=CNc1nccs1	0.54
25603-06-9	O=C2N=C(NC)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.16
25603-07-0	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2C	1.78
25603-08-1	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=N)N2CC	1.44
25603-09-2	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=NC)N2C	1.42
25603-13-8	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2CC	2.29
25603-14-9	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2CC=C	2.22
25612-07-1	N#Cc1ccc(cc1)NS(=O)(=O)c2ccc(N)cc2	1.83
25680-58-4	n1ccnc(c1OC)CC	1.8
25694-31-9	O=C2N=C(N(C)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.14
25784-00-3	O=C(O)c1ccccc1(NCCO)	1.35
25800-28-6	O=C(OCCC)c1ccccc1Cl	3.45
25855-20-3	n1cc3ccccc3(nc1c2ccccc2)	3.42
25905-77-5	n2nc(NCCN1CCOCC1)c(cc2c3ccccc3)C	2.03
25933-30-6	O=C(Nc1ccccc1C)c2cc(ccc2(O))Cl	4.21
25953-19-9	O=C(O)C4=C(CSc1nnc(C)s1)CSC3N4(C(=O)C3(NC(=O)Cn2nnnc2))	-0.58
25963-47-7	O=S(=O)(c1ccc(O)cc1)c2ccc(N)cc2	1.57
25998-87-2	O=C(Nc2ccc(OCc1ccccc1)cc2)N(OC)C	3.11
26019-17-0	c1cc(CN(C)C)sc1	1.67
26019-18-1	c1cc(CCN(C)C)sc1	1.99
26060-30-0	O=[N+]([O-])c1ccc(cc1)C(N)=S	1.75
26074-74-8	O=C(OC)C(=CC1C(C(=O)OC)C1(C)(C))C	2.67
26087-47-8	O=P(OC(C)C)(OC(C)C)SCc1ccccc1	3.34
26114-12-5	O=C(O)Cc1ccc(cc1)CCC	3
26114-14-7	O=C(O)Cc1ccc(cc1)C(C)(C)CC	3.48
26116-56-3	O=C3OC(CC)C(O)(C)C(O)C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C	3
26118-57-0	O=C(O)Cc1ccc(OCCC)cc1	2.31
26171-23-3	O=C(c1ccc(cc1)C)c2ccc(n2C)CC(=O)O	2.79
26232-35-9	c1cc2c(c(c1)Cl)CCNCC2	2.4
26328-59-6	O=C(c1ccccc1)c2ccc(N=C=S)cc2	4.88
26399-36-0	O=[N+]([O-])c1cc(cc(c1N(CCC)CC2CC2)[N+](=O)[O-])C(F)(F)F	5.44
26455-31-2	O=[N+]([O-])c1ccc(OC(C)C)cc1	2.8
26512-63-0	O=P(Oc1ccc(cc1C)SC)(OCC)OCC	3.21
26512-71-0	O(c1ccc(cc1Cl)SC)P(OCC)(OCC)=S	4.4
26530-20-1	O=C1C=CSN1CCCCCCCC	2.45
26537-53-1	O=C(O)CC1=NNOC1(=O)	-1.66
26541-51-5	O=NN1CCSCC1	0.4
26556-23-0	O=C(Nc2cccc1nccnc12)C	1.06
26621-45-4	O=[N+]([O-])c1ncn(n1)C	-0.68
26644-46-2	O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	2.2
26675-46-7	FC(F)OC(C(F)(F)F)Cl	2.06
26707-54-0	O=P(Oc1c(cc(cc1Cl)SC)Cl)(OCC)OCC	3.72
26722-85-0	O=C(O)C3=C(CSC)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))	1.01
26766-27-8	OC(c1cncnc1)(c2ccccc2)c3ccc(cc3Cl)Cl	2.56
26787-78-0	O=C(O)C3N2C(=O)C(NC(=O)C(N)c1ccc(O)cc1)C2SC3(C)(C)	-0.56
26798-03-8	O=P(Oc1ccc(c(c1)Cl)SC)(OCC)OCC	2.94
26807-64-7	O=S(=O)(Nc1ncccc1Cl)c2ccc(N)cc2	0.82
26819-07-8	O=C(NCC)c1cccc(c1)C	1.32
26819-08-9	O=C(NCC)c1ccc(cc1)C	1.38
26839-75-8	OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C	1.83
26891-02-1	O=C(C=Cc1cccc(c1)Br)C	3.02
26970-95-6	O=C(O)C4=C(CSc1nnc(C)s1)CSC3N4(C(=O)C3(NC(=O)Cc2cccs2))	0.67
26973-24-0	O=C(O)C4=C(CSc1nncs1)CSC3N4(C(=O)C3(NC(=O)Cn2nnnc2))	-0.67
26973-80-8	O=C(O)C2=C(COC(=O)C)CSC1N2(C(=O)C1(NC(=O)CBr))	-0.7
27016-91-7	O=C(NC)N3C(=O)CN=C(c1ccccc1)c2cc(ccc23)[N+](=O)[O-]	1.76
27052-09-1	O=C2NC(c1ccccc1)S(=O)(=O)C2	0.8
27091-58-3	O=C(Nc1ccccc1)c2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])N3CC3	2.23
27147-69-9	O=S(=O)(c1ccc(N)cc1)c2ccccc2(N)	1.56
27153-17-9	O=CNc1cccc(OC)c1	1.25
27179-29-9	O(c1cc(cc2OC(C)(C)C3CCC(=C)CC3(c12))CCCCC)C	7.62
27221-03-0	O=C(c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N2CC2)N(C)C	0.63
27227-14-1	O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ccc(F)cc3	2.5
27297-83-2	O=C(Oc1ccc(cc1)C=CC(=O)C)C	1.63
27314-13-2	O=C1C(=C(C=NN1c2cccc(c2)C(F)(F)F)NC)Cl	2.3
27325-36-6	OC(COc1ccccc1C2CC2)CNC(C)C	3.07
27355-22-2	O=C1OCc2c1c(c(c(c2Cl)Cl)Cl)Cl	3.2
27464-57-9	O=C2NC(=S)SC2(=CC=Cc1oc(cc1)[N+](=O)[O-])	0.93
27464-82-0	n1nc(C)sc1C	0.03
27471-82-5	O=C(Nc1ccc(cc1)Cl)CN2CCCCC2	3.34
27472-83-9	O=C2N=C(NC)SC2(=CC=Cc1oc(cc1)[N+](=O)[O-])	1.35
27472-85-1	O=C2N=C(NCC)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.16
27472-90-8	O=C2N=C(NCCC)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.24
27472-92-0	O=C2N=C(NC(C)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.29
27489-28-7	O=C(OC)CS(=O)(=O)c1ccccc1[N+](=O)[O-]	0.78
27522-25-4	n1cncc(OCC)c1	0.56
27545-04-6	O=C(N)c1ccccc1(NCC(=O)C)	0.61
27550-11-4	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2C(C)C	2.42
27564-47-2	O=C2NC(=O)SC2(=Cc1oc(cc1)[N+](=O)[O-])	0.63
27605-76-1	O=S2(=O)(N=C(OCC=C)c1ccccc12)	1.4
27640-19-3	O=NN(C(=O)N)CCCN(N=O)C(=O)N	-0.3
27640-22-8	O=NN(C(=O)N)CCCCCCN(N=O)C(=O)N	0.58
27653-63-0	O=C1NC(=O)C(C(=O)N1)(C)CC	0.08
27693-70-5	O=C(O)c2ccccc2(Nc1cccc(c1)[N+](=O)[O-])	4.57
27693-73-8	O=C(O)c2ccccc2(Nc1cccc(OC)c1)	4.31
27696-28-2	O=C(O)c2ccccc2(Nc1cccc(c1)C(=O)C)	4.07
27772-24-3	n1nc(OC)c(cc1)N(C)C	0.9
27810-94-2	n1cc(c(nc1N)N)Cc3cc(OC)c(OC)c(OCc2ccccc2)c3	2.37
27816-82-6	O=C(Nc1ccc(c(c1)Cl)Cl)Cc2ccccc2	4.47
27843-08-9	O=C(N)NN=CCCc1ccccc1	2.32
27876-24-0	n1ccc(cc1)CCCCCC	4.35
27910-26-5	O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)C(O)c1ccccc1))	-0.44
27918-37-2	O=C(c1ccc(OC)cc1)CS(=O)(=O)c2ccccc2	2.18
28026-77-9	O=C(Nc1ccc(O)c(c1)CC)C	1.31
28076-73-5	O(c1ccc(cc1Cl)Cl)c2ccc(cc2Cl)Cl	5.95
28165-71-1	O=C(Oc1c(cccc1Cl)Cl)C	2.94
28165-91-5	Oc1cccc(c1(O))CCCCCCCCCCCCC	7.75
28167-45-5	O=P(OCCC)(N)SCCC	1.23
28167-49-9	O=P(OC)(NC)SC	-0.07
28170-26-5	O=C(Nc1cccc(F)c1)N(OC)C	1.68
28170-54-9	O=C(Nc1cccc(OC)c1)N(C)C	1.73
28177-48-2	Fc1cccc(F)c1(O)	1.96
28197-69-5	O=C(Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C)C	0.94
28238-55-3	O=C(OC)Nc1ccc(cc1)CC	2.72
28249-77-6	O=C(N(CC)CC)SCc1ccc(cc1)Cl	3.4
28289-54-5	c1ccc(cc1)C2=CCN(C)CC2	2.71
28313-52-2	N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)OCC	4.45
28313-57-7	N#CC(=NNc1ccc(c(c1)C(F)(F)F)Cl)C(=O)OCC	4.86
28313-58-8	N#CC(=NNc1cc(cc(c1)Cl)Cl)C(=O)OC	4.5
28313-59-9	N#CC(=NNc1cc(cc(c1)Cl)Cl)C(=O)OCC	3.82
28313-60-2	N#CC(=NNc1ccc(cc1)S(=O)(=O)C(F)(F)F)C(=O)OC	4.22
28313-64-6	N#CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC	4.14
28313-69-1	N#CC(=NNc1c(cc(cc1Cl)C(F)(F)F)Cl)C(=O)OC	4.36
28313-74-8	N#CC(=NNc1cccc(c1)C(F)(F)F)C(=O)OC	3.78
28313-76-0	N#CC(=NNc1ccc(cc1)C(F)(F)F)C(=O)OC	3.79
28313-77-1	N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)OC	4.42
28313-79-3	N#CC(=NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)OC	3.44
28313-92-0	N#CC(=NNc1ccc(cc1)SC(F)(F)F)C(=O)OC	4.3
28317-56-8	N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)C	5.08
28317-58-0	N#CC(=NNc1ccc(cc1)Cl)C(=O)C	4.1
28317-59-1	N#CC(=NNc1ccccc1Cl)C(=O)C	4
28317-60-4	N#CC(=NNc1cccc(c1)Cl)C(=O)C	3.9
28317-61-5	N#CC(=NNc1ccc(c(c1)Cl)Cl)C(=O)C	4.56
28317-62-6	N#CC(=NNc1cc(cc(c1)Cl)Cl)C(=O)C	4.68
28317-64-8	N#CC(=NNc1ccc(cc1C)Cl)C(=O)C	4.28
28317-71-7	N#CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)C	3.4
28317-78-4	N#CC(=NNc1ccc(cc1)SC(F)(F)F)C(=O)C	5.04
28317-91-1	N#CC(=NNc1cccc(c1)Cl)C(=O)C(C)(C)C	4.62
28317-94-4	N#CC(=NNc1ccc(cc1C(F)(F)F)Cl)C(=O)C(C)(C)C	5.67
28322-78-3	N#CC(=NNc1cc(c(cc1Cl)Cl)Cl)C(=O)OCC	5.21
28343-25-1	N#CC(=NNc1cc(ccc1Cl)C(F)(F)F)C(=O)C(C)(C)C	5.31
28343-27-3	N#CC(=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(C)(C)C	5.44
28343-28-4	N#CC(=NNc1cc(c(cc1Cl)Cl)Cl)C(=O)C(C)(C)C	5.86
28354-19-0	N#CCNc1ccccc1(C(=O)O)	1.8
28354-25-8	N#CCNc1ccccc1(OC)	1.3
28384-50-1	N#CC(=NNc1ccccc1C(F)(F)F)C(=O)OC	3.7
28419-69-4	O(c1ccccc1)c2c(cccc2Cl)Cl	4.64
28529-34-2	O=C(N)C(NC(=O)C)CC(C)C	-0.13
28610-09-5	O=C(OCCC)CNC(=O)CCCCSc2ncnc1[nH]cnc12	1.37
28615-21-6	O=C(NC(=O)c1ccccc1)NCC	1.92
28616-93-5	O=C1NC(=O)N(C=C1Br)C2OC(CO)CC2	-0.99
28648-86-4	O=C(N)c1ncncc1	-0.68
28783-31-5	O=[N+]([O-])C=Cc1ccsc1	1.94
28795-24-6	O=[N+]([O-])c1cnc(n1CCCS(=O)(=O)C)C	-1
28822-58-4	O=C2c1[nH]cnc1N(C(=O)N2C)CC(C)C	1.15
28856-77-1	n1cccc(c1)Sc2ccccc2	3.15
28879-93-8	O=C2N3c1cc(OC)c(OC)cc1C46(CCN5CC7CCOC(C2)C(C34)C7(CC56))	0.84
28910-86-3	O=C1Nc3ccc(cc3(C(=NC1)c2c(F)cccc2(F)))Cl	2.68
28915-24-4	n1nc(oc1C)SCc2ccccc2	1.74
29027-76-7	O=C(c1ccc(cc1)C)N(N)c2ccccc2	3
29074-04-2	OCC2OC(Oc1ccc(cc1)C(C)(C)C)C(O)C(O)C2(O)	1.18
29091-05-2	O=[N+]([O-])c1cc(c(N)c(c1N(CC)CC)[N+](=O)[O-])C(F)(F)F	4.3
29094-61-9	O=C(NC1CCCCC1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3ncc(nc3)C	1.91
29121-29-7	O=C(N)Cc1cccc(OCC(O)CNC(C)C)c1	0.22
29122-68-7	O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1	0.16
29152-10-1	O=C(Nc1nccs1)C3C(=O)c2ccccc2S(=O)(=O)N3(C)	1.64
29230-99-7	O=C(Oc1ccccc1C(=O)C)N(C)C	0.93
29232-93-7	n1c(OP(OC)(OC)=S)cc(nc1N(CC)CC)C	4.2
29247-87-8	O=C(NN)c1ccnc(c1)I	0.52
29366-71-0	O=[N+]([O-])c2ccccc2(c1nc(nc(n1)N)N)	0.49
29366-72-1	O=[N+]([O-])c1cccc(c1)c2nc(nc(n2)N)N	1.57
29366-73-2	O=[N+]([O-])c1ccc(cc1)c2nc(nc(n2)N)N	1.6
29366-77-6	n1c(nc(nc1N)c2ccccc2Cl)N	1.19
29418-67-5	O=C(NN)c1ccccc1Br	0.26
29442-58-8	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-])COC	2.05
29442-59-9	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)COC	2.86
29442-60-2	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2Cl))Cl)COC	3.23
29442-82-8	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))Cl)CSC	3.32
29507-66-2	C1(=C(CCC)SSC1=S)CC	3.76
29526-42-9	n1cccc2cccc(c12)N(C)C	2.73
29529-66-6	O=C2N(c1cccc(OC)c1)CCN2CCN(C)C	1.76
29604-73-7	n1nc(ccc1N(C)C)N(C)C	0.99
29650-44-0	O=C(Oc1ccccc1(F))C	1.76
29682-39-1	O=[N+]([O-])c1ccc(c(c1)Cl)Br	3.25
29701-43-7	O=C(N)CNC(=O)C(NC(=O)C)Cc1ccccc1	-0.5
29726-60-1	c1ccc2c(c1)CNC(C)C2	1.93
29736-20-7	O=C(Oc1ccc(cc1)C)CNC(=O)c2ccccc2	2.83
29736-21-8	O=C(Oc1ccc(OC)cc1)CNC(=O)c2ccccc2	2.28
29736-22-9	O=C(Oc1ccc(F)cc1)CNC(=O)c2ccccc2	2.46
29849-15-8	O=C(NN)c1ccnc(c1)Br	0.25
29854-52-2	O=C2N6c1ccc(cc1C57(CCN4CC3=CCOC(C2)C(C3CC45)C67))[N+](=O)[O-]	1.61
29945-54-8	[O-][n+]1onc(c1(N))c2ccccc2	1.42
29973-13-5	O=C(Oc1ccccc1CSCC)NC	2.04
29973-91-9	O=C(O)Cc2ccc(OCc1ccccc1)c(OC)c2	2.59
30022-13-0	O=C(Oc1ccc(N)cc1)CNC(=O)c2ccccc2	1.01
30059-86-0	[O-][n+]2onc(N)c2(c1ccccc1)	1.47
30085-34-8	O=C(NO)Nc1ccc(cc1)Cl	1.39
30087-17-3	O=C(Nc1cccc(O)c1)N(OC)C	0.83
30101-52-1	n1c(nc(nc1N)c2cccc(c2)Br)N	2.44
30125-76-9	O=C2N(Cc1ccccc1)CC(=O)C2	0.76
30144-56-0	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2))N(C)C	2.43
30144-75-3	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2Cl))N(C)C)C	2.72
30144-88-8	O=C1N(c3ccc(cc3(C(=NC1)c2c(cccc2Cl)Cl))Cl)C	3.04
30176-62-6	c1ccc(cc1)C34(CC2CC(CC(C2)C3)C4)	5.55
30195-30-3	O=C1Nc3ccc(cc3(C(=NC1)c2ccc[nH]2))Cl	2.59
30345-85-8	O=C1NC(=O)N(C1(=O))Cc2ccccc2	1.19
30379-59-0	O=C(OCc1ccccc1)NC	1.68
30508-25-9	n1c(nc(nc1N)c2ccccc2C)N	1.26
30508-78-2	FC(F)(F)c1cccc(c1)c2nc(nc(n2)N)N	2.67
30516-87-1	[N-]=[N+]=NC1CC(OC1(CO))N2C=C(C(=O)NC2(=O))C	0.05
30530-43-9	Fc1cccc(c1)c2nc(nc(n2)N)N	1.73
30530-44-0	Fc1ccc(cc1)c2nc(nc(n2)N)N	1.61
30530-48-4	n1c(nc(nc1N)c2ccccc2Br)N	1.26
30532-36-6	n1ccc(cc1)CCCN	0.4
30544-61-7	O=C(O)CCCN(C(=O)c1ccc(cc1)Cl)c2ccc(OC)cc2	2.7
30560-19-1	O=C(NP(=O)(OC)SC)C	-0.85
30652-11-0	O=C1C=CN(C(=C1(O))C)C	-0.77
30652-12-1	O=C1C=CN(C(=C1(O))C)CC	-0.31
30652-13-2	O=C1C=CN(C(=C1(O))C)CCC	0.18
30652-14-3	O=C1C=CN(C(=C1(O))C)C(C)C	0.05
30652-15-4	O=C1C=CN(C(=C1(O))C)CCCC	0.7
30652-17-6	O=C1C=CN(C(=C1(O))C)CCCCC	1.24
30652-18-7	O=C1C=CN(C(=C1(O))C)CCCCCC	1.9
30652-21-2	O=C1C=CN(C(=C1(O))C)CCO	-1.1
30685-43-9	O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(OC)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(O)C67(C)))	1.8
30717-57-8	O=C(c1cccs1)N(C)C	0.75
30820-34-9	O=C(NC2C(=O)N(c1ccccc1)C(=O)C2)C	-0.33
30826-80-3	C1(N(CC)CCN1CC)=S	1.13
30826-88-1	C1(N(CCC)CCCN1CCC)=S	2.83
30922-52-2	O=Nc1c(O)c2ccccc2(cc1Br)	2.93
30961-36-5	O=S(=O)(Nc1ncc(cc1)Cl)c2ccc(N)cc2	1.82
30961-38-7	O=S(=O)(Nc1ncc(cc1Cl)Cl)c2ccc(N)cc2	1.97
30961-39-8	O=S(=O)(Nc1ncccc1Br)c2ccc(N)cc2	1.24
30961-41-2	O=S(=O)(Nc1ncc(cc1Br)Br)c2ccc(N)cc2	2.74
30961-42-3	O=S(=O)(Nc1ncc(cc1C)Br)c2ccc(N)cc2	2.05
30961-43-4	O=S(=O)(Nc1ncc(cc1Br)C)c2ccc(N)cc2	1.79
31017-40-0	c1ccc(cc1)C2=CCCCC2	4.53
31036-66-5	O=C2N(c1cccc(c1)[N+](=O)[O-])C(=O)CC2	0.38
31052-79-6	O=[N+]([O-])c2cnc(N=C1N(C)CCN1C)s2	0.95
31080-39-4	O=C(O)C(CCC)CCCCC	3.2
31088-06-9	O=C1N=C(N)C=CN1C2OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C2(O)	5.03
31108-57-3	N#Cc1cn[nH]c1	0.24
31112-62-6	O=C(NC1C(O)OC(CO)C(O)C1(O))c2c(c(NC(=O)C)c(c(c2I)N(C(=O)C)C)I)I	-1.89
31121-11-6	OCCCNc1ccccc1	0.57
31122-82-4	O=C(c1c(c(C(=O)N(C)CC(O)CO)c(c(c1I)N(C(=O)C)CCO)I)I)N(C)CC(O)CO	-2.28
31122-84-6	O=C(Nc1c(c(C(=O)N(C)CC(O)CO)c(c(C(=O)N(C)CC(O)CO)c1I)I)I)C	-2.71
31218-83-4	O=C(OC(C)C)C=C(OP(OC)(NCC)=S)C	3.82
31357-16-1	O=COC3C(OC(OC2C(C(=O)OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C2(C))C)C)CC3(OC)(C))C	2.64
31357-18-3	O=C(OC3C(OC(OC2C(C(=O)OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C2(C))C)C)CC3(OC)(C))C)C	3.23
31357-41-2	O=COC3C(OC(OC2C(C(=O)OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C2(C))C)C)CC3(OC)(C))C	3.05
31357-44-5	O=C(OC3C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C3(C))C)C)C	3.32
31363-85-6	O=S2(=O)(NC(=Nc1c(cccc12)Cl)C)	0.72
31363-88-9	O=S2(=O)(NC(=Nc1cc(ccc12)C)C)	0.74
31363-89-0	O=S2(=O)(NC(=Nc1ccc(cc12)C)C)	0.81
31365-74-9	O=S2(=O)(NC(=Nc1ccc(F)cc12)C)	0.62
31365-75-0	O=[N+]([O-])c1cc2N=C(NS(=O)(=O)c2(cc1Cl))C	1.42
31365-88-5	O=S2(=O)(NC(=Nc1c(cccc12)C)C)	0.52
31378-03-7	O=C(c1ccccc1)CS(=O)(=O)c2ccc(cc2)C	2.45
31401-45-3	n1cnc(cc1)N(C)C	0.58
31401-46-4	n1cncc(c1)N(C)C	0.46
31431-39-7	O=C(OC)Nc1nc2cc(ccc2([nH]1))C(=O)c3ccccc3	2.83
31458-33-0	n1cncc(OC)c1	0.07
31508-00-6	c1cc(c(cc1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl	7.12
31542-48-0	O=C2c1[nH]cnc1N(C(=O)N2C)CCCC	1.29
31551-45-8	O=C1c3cc(ccc3(c2ccc(cc12)[N+](=O)[O-]))[N+](=O)[O-]	2.84
31592-84-4	O=C(Nc1cc(cc(c1)Cl)Cl)C	3.17
31599-68-5	FC(F)(F)c1cccc(c1)C2OCCNC2	2.18
31604-28-1	c2cc(c1c(cc(cc1Cl)Cl)c2Cl)Cl	5.76
31652-78-5	O=C1N=C(N)C=CN1C2OC(CCl)C(O)C2(O)	-1.05
31698-14-3	N=C1N=C2OC3C(O)C(OC3(N2(C=C1)))CO	-2.37
31710-30-2	O(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	8.16
31777-46-5	O=C1C=C2C=CC=CC2(=NN1)	0.68
31790-44-0	c1ccc(cc1)C3(N2CCCCC2)(CCC(CC3)C(C)(C)C)	6.67
31803-00-6	n1nc(oc1N)Cc2ccccc2	0.95
31820-22-1	O=NN(C)CC(C)(C)C	1.34
31822-03-4	O=C(NN)c1ccccc1I	0.47
31828-71-4	O(c1c(cccc1C)C)CC(N)C	2.15
31835-53-7	n2c1ccccc1c(OC)cc2C	2.81
31842-01-0	O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C	2.77
31876-68-3	O=[N+]([O-])c1ncn(c1(OC))C	0.19
31883-05-3	O=C(OCC)Nc1ccc4c(c1)N(C(=O)CCN2CCOCC2)c3ccccc3S4	2.98
31898-94-9	O=C3NC(Oc1ccc2ccccc2(c1))C3	2.29
31935-08-7	n1c(nc(c(c1N)C34(CC2CC(CC(C2)C3)C4))C)N	2.64
31991-98-7	O=C2C(NCCCC)=C(N(C(=O)N2(c1ccccc1))C)C	1.69
31991-99-8	O=C2C(=C(N(C(=O)N2(c1ccccc1))C)C)N(CC)CC	2.11
31992-01-5	O=C2NC(=O)N(c1ccccc1)C(=C2N(C)C)C	1.4
32092-14-1	O=C(OCC)C1=CN=C2N(C1(=O))C(C)CCC2	0.62
32092-29-8	O=C1C=CN=C2N1C(C)CCC2	0.3
32094-40-9	O=C(NS(=O)(=O)N)Cc1ccccc1	0.31
32111-28-7	n1ccnc(c1)NC	0.56
32139-72-3	Oc1c(O)c(c(cc1Cl)Cl)Cl	3.6
32150-38-2	O=C2C(=C(N(c1ccccc1)C(=O)N2C)C)N(CC)CC	2.19
32150-60-0	O=C1C(=C(N(C(=O)N1CC=C)c2ccccc2)C)N(C)C	1.98
32150-73-5	O=C2C(=C(N(C(=O)N2(c1ccccc1))C)C)N3CCCC3	2.26
32150-74-6	O=C1C(=C(N(C(=O)N1c2ccccc2)C)C)N3CCOCC3	0.69
32150-76-8	O=C1C(=C(N(C(=O)N1c2ccccc2)CC=C)C)N(C)C	1.44
32156-26-6	O(c1cc(c(OC)cc1CC(N)C)Br)C	2.58
32226-54-3	OC1C(=CCC(C1)C(O)(C)C)C	1.81
32319-90-7	O=NN(C(=O)NC1CCSCC1)CCF	1.43
32324-41-7	O=C(NCC)NS(=O)(=O)c1ccccc1	0.9
32324-42-8	O=C(NS(=O)(=O)c1ccccc1)N(C)C	0.28
32345-29-2	O(c1ccccc1)P(OCC)(OCC)=S	3.46
32387-21-6	O=C(O)c1cn(c2ccccc12)C	2
32451-61-9	O=C(N)Nc2cccc1cccnc12	1.62
32483-15-1	O=C(NC(C(=O)NC)CC(C)C)C	0.14
32483-16-2	O=C(NC(C(=O)NC)C(C)CC)C	0.14
32527-55-2	O=C(N1CCN(CCO)CC1)CN3c2cc(ccc2SC3(=O))Cl	1.04
32551-31-8	O=C(OC)c1nonc1C	0.94
32551-33-0	O=C(N)c1nonc1C	0.31
32557-55-4	O=C(NC)c2ccccc2(C(=O)c1ccccc1)	2.09
32562-52-0	O=C(O)Cc1ccc(cc1)N(C(=O)C)CCCl	1.2
32598-10-0	c1cc(c(cc1c2ccc(cc2Cl)Cl)Cl)Cl	6.31
32598-11-1	c1cc(c(cc1c2cc(ccc2Cl)Cl)Cl)Cl	6.23
32598-13-3	c1cc(c(cc1c2ccc(c(c2)Cl)Cl)Cl)Cl	6.63
32598-14-4	c1cc(c(cc1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl	6.79
32620-68-1	O=C(OCOC(=O)C)c1ccccc1(OC(=O)C)	1.42
32620-72-7	O=C(OCN1C(=O)CCC1(=O))c2ccccc2(OC(=O)C)	0.5
32669-06-0	O(CCCl)C(c1ccccc1)c2ccccc2	4.38
32690-93-0	c1cc(ccc1c2cc(c(cc2Cl)Cl)Cl)Cl	6.67
32692-19-6	O=[N+]([O-])c1ccc2NCCc2(c1)	2.07
32695-27-5	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)NO	0.88
32723-67-4	O=Cc1ccc(OC)c(c1)C	2.23
32737-14-7	n1ccnc(c1OCC)C	1.82
32743-27-4	O=C(c1nccnc1)N(C)C	-0.8
32745-69-0	O=C(Nc1ccc(cc1)C(C)(C)C)N(C)C	3.1
32747-08-3	O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)(C3(CCC12(C)))	1.9
32768-54-0	c1cc(c(c(c1)Cl)Cl)C	3.96
32774-16-6	c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2)Cl)Cl)Cl	7.41
32783-20-3	O(C(=C)C)Cc1ccccc1	2.41
32809-16-8	O=C2N(c1cc(cc(c1)Cl)Cl)C(=O)C3(C)(CC23(C))	3.08
32830-01-6	O=C1N=C(N)C=CN1C3OC2COC3(C2(O))	-1.64
32857-62-8	O=C(O)Cc1ccc(cc1)C(F)(F)F	2.45
32857-63-9	O=C(O)Cc1ccc(cc1)C(C)(C)C	2.98
32865-61-5	O=C(Oc1ccccc1I)C	2.55
32889-48-8	N#CC(Nc1nc(nc(n1)Cl)NC2CC2)(C)C	1.99
32924-66-6	O=C(O)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)Cc2cccs2))	0
32954-58-8	O=C(c1cocc1)CCC(O)C	0.84
32968-43-7	N1=C(OC(C1)COc2ccccc2)N	1.27
33021-53-3	O=C(c1cnc2ccccc2(c1))C	1.76
33021-93-1	O=NN(C(=O)NC(C)(C)Cc1ccccc1)CCCl	3.73
33021-94-2	O=NN(C(=O)NC1C=CCCC1)CCCl	2.45
33022-01-4	O=NN(C(=O)NC1CCSCC1)CCCl	2.07
33022-02-5	O=NN(C(=O)NC1CCS(=O)(=O)CC1)CCCl	0.19
33022-04-7	O=NN(C(=O)NC1CSCSC1)CCCl	2.08
33022-05-8	O=NN(C(=O)NC1CS(=O)(=O)CS(=O)(=O)C1)CCCl	-0.94
33024-47-4	O=NN(C(=O)NC1CSCSC1)CCF	1.54
33025-41-1	c1cc(ccc1c2ccc(c(c2Cl)Cl)Cl)Cl	5.84
33089-61-1	N(=CN(C=Nc1ccc(cc1C)C)C)c2ccc(cc2C)C	5.5
33098-65-6	O=C(Nc1ccccc1CC)C	1.32
33098-80-5	O=C(Nc1c(cccc1Br)Br)C	1.53
33100-27-5	O1CCOCCOCCOCCOCC1	-0.48
33101-81-4	O=C1ON(C(=O)N1)c2ccccc2	1.74
33103-93-4	NC13(CC2CC(C1)CC(C)(C2)C3)	3.01
33130-54-0	O=CN(C=1C(=O)NC(=O)N(C=1(N))C)C	-1.3
33130-55-1	O=CN(C=1C(=O)N(C(=O)N(C=1(N))C)C)C	-1.32
33138-16-8	n1c3cc(ccc3([nH]c1Cc2ccc(cc2)Br))Cl	5.38
33146-45-1	c1ccc(cc1)c2c(cccc2Cl)Cl	4.98
33225-17-1	O=C(N)c1cccc(c1)N(C)C	0.95
33228-44-3	Nc1ccc(cc1)CCCCC	3.39
33284-50-3	c1ccc(cc1)c2ccc(cc2Cl)Cl	5.16
33284-52-5	c1c(cc(cc1Cl)Cl)c2cc(cc(c2)Cl)Cl	6.6
33284-53-6	c1ccc(cc1)c2cc(c(c(c2Cl)Cl)Cl)Cl	6.41
33286-22-5	O=C(OC3C(=O)N(c1ccccc1SC3(c2ccc(OC)cc2))CCN(C)C)C	2.7
33321-31-2	O=C1NC(=O)SC1Cc2ccccc2	1.98
33330-89-1	O=C(N)c1ccccc1(N=NN(C)C)	1.73
33330-91-5	O=C(N)c1ccc(N=NN(C)C)cc1	1.2
33332-28-4	n1cc(nc(c1)Cl)N	0.95
33332-29-5	n1cc(ncc1N)Cl	0.67
33332-30-8	n1cc(nc(c1)Cl)OC	1.65
33332-31-9	n1cc(ncc1OC)Cl	1.52
33332-53-5	O(c1ccccc1(OCCOC))CCOC	1.12
33368-89-7	O=N2c1ccc(cc1N(=O)CC2)C	-0.35
33376-25-9	O=C1NC(=O)C(C(=O)N1)(CC)CCC	0.66
33419-42-0	O=C5OCC6C(OC1OC2COC(OC2(C(O)C1(O)))C)c3cc7OCOc7(cc3C(c4cc(OC)c(O)c(OC)c4)C56)	0.6
33443-53-7	O=C2N=C(c1ccccc1)c3cc(ccc3(N2))Br	2.71
33484-38-7	O=C(OC)C1=CN=C2N(C1(=O))C(C)CCC2	0.16
33484-45-6	O=C(N)C1=CN=C2N(C1(=O))C(C)CCC2	0.04
33489-27-9	C1(C(C(C(C(C1Cl)Cl)I)Cl)Cl)Cl	4.01
33576-92-0	O(c1ccccc1)P(OC)(OC)=S	3.03
33597-78-3	O=S(=O)(c1ccc(N)cc1)c2c(cc(cc2C)C)C	3.06
33602-03-8	O=C1N(C(=O)CCCCCCCCC)CCC1	4.33
33607-91-9	O=C(O)C1Oc2ccc(cc2(C(=O)C1))Cl	1.77
33629-47-9	O=[N+]([O-])c1cc(cc(c1(NC(C)CC))[N+](=O)[O-])C(C)(C)C	4.93
33665-20-2	O=C1C(=NN=C(N1(N))C)C(C)(C)C	1.03
33665-71-3	O=C1C(=NN=C(NCCCC)N1(N))C(C)C	1.78
33671-46-4	O=C2N(c1c(cc(CC)s1)C(=NC2)c3ccccc3Cl)C	3.18
33693-04-8	n1c(nc(nc1NCC)NC(C)(C)C)OC	3.1
33715-62-7	O=C(Nc1cc(c(c(c1)Cl)Cl)Cl)C	3.76
33719-74-3	O(c1cc(cc(c1)Cl)Cl)C	3.8
33721-54-9	O=C(Nc1cc(ccc1(OC))[N+](=O)[O-])C	1.6
33757-42-5	O=C(Nc2cccc1cccnc12)C	1.91
33809-77-7	O=C(N)c1ccccc1(NC(=O)C)	0.32
33854-15-8	O=C1OC2C=C(C)C(OC(=O)C)CC(O)C(=CC(OC(=O)C(=CC)C)C2(C1(=C)))C	1.16
33857-26-0	O1c3ccc(cc3(Oc2ccc(cc12)Cl))Cl	5.75
33862-44-1	O=P(Oc1ccccc1)(Oc2ccccc2)NN	1.51
33870-85-8	n1cc(nc(OCC)c1)OCC	2.55
33873-09-5	Fc1nc(F)cnc1	0.74
33873-10-8	Fc1nc(cnc1)Cl	1.16
33979-03-2	c2c(cc(c(c1c(cc(cc1Cl)Cl)Cl)c2Cl)Cl)Cl	7.55
34014-18-1	O=C(NC)N(c1nnc(C(C)(C)C)s1)C	1.79
34017-16-8	O=C(N)C(NC(=O)CNC(=O)C)Cc1ccccc1	-0.56
34017-17-9	O=C(N)C(NC(=O)CNC(=O)C)CC(C)C	-0.78
34017-18-0	O=C(N)C(NC(=O)CNC(=O)C)C(C)C	-1.33
34037-45-1	O=C(OC)c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2	2.13
34084-50-9	O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2(F)))C	1.3
34097-60-4	O=C(OC)CS(=O)(=O)c1ccccc1	0.93
34123-59-6	O=C(Nc1ccc(cc1)C(C)C)N(C)C	2.87
34175-79-6	O=C2OC3C=C(C)C1(O)(OC(C=C1)(C)CC(OC(=O)C(=CC)COC(=O)C)C3(C2(=C)))	1.19
34190-59-5	O=C(NCc1cccc(OCC(O)CNC(C)C)c1)C	0.34
34197-26-7	O=[N+]([O-])C(C)C(c1ccc(OC)cc1)c2ccc(OC)cc2	3.87
34205-21-5	O=C1OC(=NN1c2ccc(cc2Cl)NC(=O)N(C)C)C(C)(C)C	2.51
34206-60-5	OC2C(O)C45(CC(O)(C)C(CCC4(O)(C(O)(C)C3C1OC1C(C)(C)C23(O)))C5(O))	-0.57
34213-80-4	OCC2OC(Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C)C(O)C(O)C2(O)	2.73
34222-71-4	O=[N+]([O-])C=Cc1ccccc1C	2.63
34231-77-1	O=C(OC)c1cnncc1	-0.27
34251-46-2	O=C(N(C(C)C)C(C)C)Cc1ccccc1	3.1
34253-01-5	O=C(OC)c1cncnc1	0.03
34253-02-6	O=C(OC)c1nnccc1	-0.43
34253-03-7	O=C(OC)c1ncccn1	-0.71
34256-82-1	O=C(N(c1c(cccc1CC)C)COCC)CCl	3.03
34262-32-3	O=S(=O)(c1ccc(N)cc1)c2cccc(N)c2	1.03
34378-65-9	O=C(OC)CCC(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3(N))N)C(=O)OC	0.54
34380-54-6	O=C(O)COc1ccc(cc1)S(=O)(=O)F	1.82
34385-93-8	O=C(O)C1Oc2ccccc2(OC1)	1.4
34385-94-9	O=C(O)C2Oc1ccc(cc1C2)Cl	2.11
34392-61-5	O=S(=O)(Nc1ccc(cc1)N(C)C)c2ccc(N)cc2	1.57
34392-79-5	O=S(=O)(Nc1cccnc1Cl)c2ccc(N)cc2	1.58
34392-82-0	O=S(=O)(Nc1cnc(cc1)Cl)c2ccc(N)cc2	2.24
34444-01-4	O=C(O)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)C(O)c2ccccc2))	0.5
34569-18-1	O=C1NC(=O)C(C(=O)N1C)CCCC	1.1
34622-58-7	O=C(N(CC)CC)SCc1ccccc1Cl	3.43
34643-46-4	O(c1ccc(cc1Cl)Cl)P(OCC)(=S)SCCC	5.67
34645-84-6	O=C(O)Cc2ccccc2(Oc1ccc(cc1Cl)Cl)	4.8
34661-75-1	O=C3C=C(NCCCN2CCN(c1ccccc1(OC))CC2)N(C(=O)N3C)C	1.6
34675-53-1	O=C(OC)n2c(nc1ccccc12)c3ncsc3	2.05
34681-10-2	O=C(ON=C(C)C(C)SC)NC	1.1
34691-02-6	O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))	0.61
34781-59-4	O=N3(c1ccccc1Sc2ccccc23)CCCN(C)C	1.9
34803-66-2	n1ccccc1N2CCNCC2	0.74
34816-55-2	C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(C(OC)CC23(C)))	3.01
34834-67-8	O=C2N(C)C(c1cnccc1)CC2(O)	-1.47
34835-05-7	O=C(O)CC[Se]Cc1ccc(cc1)[N+](=O)[O-]	1.63
34839-70-8	n1c[nH]c(c1CSCCNC(NC)=S)C	0.5
34846-64-5	N#Cc1cnc2ccccc2(c1)	1.57
34861-40-0	O=C(Nc1ccc(cc1)C(C)C)N(OC)C	2.95
34883-39-1	c1ccc(cc1)c2cc(ccc2Cl)Cl	5.1
34883-41-5	c1ccc(cc1)c2cc(cc(c2)Cl)Cl	5.41
34883-43-7	c1ccc(c(c1)c2ccc(cc2)Cl)Cl	5.09
34915-68-9	N#Cc1ccccc1(OCC(O)CNC(C)(C)C)	1.6
34918-50-8	O=C(NC)COc1cccc(OCC(O)CNC(C)C)c1	0.35
34919-98-7	O=C(NC)COc1ccccc1(OCC(O)CNC(C)(C)C)	1.36
34932-78-0	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))I)C	3.14
34933-71-6	Fc1ccc(cc1)SCCCN3CCC(O)(c2ccc(O)cc2)CC3	4.17
34939-39-4	O=C(NC)COc1ccc(OCC(O)CNC(C)C)cc1	0.56
34970-69-9	n1c[nH]cc1CCCCNC(NC)=S	0.39
34974-00-0	n1ccccc1CCCCN	0.86
34993-08-3	O=NN2CCOC(c1ccccc1)C2C	2.09
35065-27-1	c2c(c1cc(c(cc1Cl)Cl)Cl)c(cc(c2Cl)Cl)Cl	7.75
35065-28-2	c1cc(c(c(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl)Cl	7.44
35203-88-4	O=C(c1cccc(c1)S(=O)(=O)N)C	0.21
35203-91-9	O=S(=O)(N)c2cccc1cccnc12	0.42
35204-11-6	O=C(Nc1ccccc1[N+](=O)[O-])CN2CCCCC2	2.75
35207-08-0	O=C(N)NS(=O)(=O)c1ccccc1	0.28
35231-36-8	Oc1cc(c(OCCN(C)C)cc1C)C(C)C	2.93
35256-85-0	O=C(N(Cc1ccccc1)C(C)C)C(C)(C)C	3
35367-38-5	O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(cc2)Cl	3.88
35367-40-9	O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(F)cc2	3.2
35386-24-4	O(c1ccccc1N2CCNCC2)C	1.67
35400-43-2	O(c1ccc(cc1)SC)P(OCC)(=S)SCCC	5.48
35407-50-2	O=C(OC)Nc1ccc(OCC)cc1	2.15
35413-85-5	O=C2OCC3(C=C)(CC(OC(=O)C(=C)C)C1C(=C)C(=O)OC1C3(C2(=C)))	1.56
35480-26-3	O=C(OCc1cccc(OC)c1)C	2.02
35488-92-7	O=C2N(c1ccc(cc1)[N+](=O)[O-])C(=O)CC2	0.46
35509-27-4	N#Cc1cccc2cccnc12	1.39
35520-41-3	N#CC=CN(C)C	0.47
35531-88-5	O=C(O)C5N4C(=O)C(NC(=O)C(C(=O)Oc1ccc2c(c1)CCC2)c3ccccc3)C4SC5(C)(C)	3.77
35554-44-0	n1ccn(c1)CC(OCC=C)c2ccc(cc2Cl)Cl	3.82
35575-96-3	O=C2Oc1cc(cnc1N2CSP(=O)(OC)OC)Cl	1.05
35580-76-8	O=C(NN)Nc1ccccc1Cl	0.45
35607-66-0	O=C(OCC3=C(C(=O)O)N2C(=O)C(OC)(NC(=O)Cc1cccs1)C2SC3)N	-0.02
35659-69-9	O=C1C(=C(C)SS1)C	1.73
35681-63-1	O=[N+]([O-])c1ncn(c1I)C	1
35687-42-4	O=[N+]([O-])c1[nH]c(nc1(OC))C	0.21
35687-44-6	O=[N+]([O-])c1nc(n(c1(OC))C)C	-0.09
35693-92-6	c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl	5.47
35693-99-3	c1cc(c(cc1Cl)c2cc(ccc2Cl)Cl)Cl	6.09
35694-04-3	c2c(c1cc(cc(c1Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl	7.07
35694-06-5	c1cc(cc(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl	7.44
35694-08-7	c2c(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl	8.68
35704-19-9	N#Cc1ccc(cc1)NC(=O)C	1.37
35763-43-0	O=C(Nc1cccc(c1)[N+](=O)[O-])CN2CCCCC2	2.59
35813-38-8	O=C(N(c1ccc(OC)cc1)C)C	0.72
35822-46-9	O1c3cc(c(c(c3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl)Cl)Cl	8.2
35834-26-5	O=CCC2CC(C(=O)C=CC3(OC3(C(C)C(OC(=O)CC(O)C(C)C2(OC1OC(C)CC(N(C)C)C1(O)))CC))(C))C	2.19
35880-91-2	O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2(N)	0.38
35889-00-0	O=C(O)Cc1ccc(cc1)C2CCCCC2	3.91
35975-00-9	O=[N+]([O-])c2ccc1ncccc1c2(N)	1.61
35990-32-0	O=C(NN1CC=CCC1)C	0.52
36067-73-9	n1c(oc2c1CCN(CC)CC2)N	0.05
36070-75-4	N#Cc1ncc(nc1)Cl	0.92
36070-79-8	O=C(N)c1nc(cnc1)Cl	0.28
36070-86-7	O=C(N)c1nc(OC)cnc1	0.13
36092-88-3	Nc2cc1ccccc1n2C	1.72
36093-54-6	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(F)))C(=O)C	1.75
36164-42-8	O=C(Nc1ccc2cccnc2(c1))C	1.55
36330-85-5	O=C(O)CCC(=O)c1ccc(cc1)c2ccccc2	3.2
36335-67-8	O=[N+]([O-])c1ccc(cc1(OP(OCC)(NC(C)CC)=S))C	4.62
36371-18-3	O=C(Nc1c(cccc1C)C)C2NCCNC2	0.38
36380-48-0	O=C1NC(=O)C(C(=O)N1)(CC)CC(C)C(C)C	2.02
36385-57-6	O=C(Nc1ccccc1)C2NCCNC2	0.48
36385-59-8	O=C(Nc1ccccc1C)C2NCCNC2	0.26
36405-75-1	O=C(N1CCCCC1)COc2ccccc2	1.81
36505-84-7	O=C1N(C(=O)CC2(C1)(CCCC2))CCCCN4CCN(c3ncccn3)CC4	2.63
36557-05-8	Oc1cc(cc2OC(C)(C)C3CCC(=CC3(c12))CO)CCCCC	5.33
36592-59-3	O=C(Nc1c(cc(O)c(c1C)C)C)C	0.75
36627-56-2	O=C(Nc1cc(cc(c1)C)C)N(C)C	1.9
36635-02-6	C1(C(C(C(C(C1Cl)Cl)Br)Cl)Cl)Cl	3.78
36637-18-0	O=C(Nc1c(cccc1C)C)C(N(CC)CCC)CC	3.69
36664-18-3	O=[N+]([O-])c1nccn1CCN2CCOCC2	-0.1
36734-19-7	O=C(NC(C)C)N2C(=O)N(c1cc(cc(c1)Cl)Cl)C(=O)C2	3
36735-22-5	Fc1ccccc1C2=NCC(N(c3ccc(cc23)Cl)CC(F)(F)F)=S	4.03
36756-79-3	O=C(N(C(C)CC)C(C)CC)SCc1ccccc1	4.4
36791-04-5	O=C(N)c1ncn(n1)C2OC(CO)C(O)C2(O)	-1.85
36865-51-7	N#CC(=NNc1cc(c(c(c1)Cl)Cl)Cl)C(=O)OCC	5.03
36865-53-9	N#CC(=NNc1ccc2OC(F)(F)C(F)(F)Oc2(c1))C(=O)OC	4.86
36865-54-0	N#CC(=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC	5.09
36865-56-2	N#CC(=NNc1cc(c(c(c1)Cl)Cl)Cl)C(=O)OC	5.22
36865-60-8	N#CC(=NNc1ccc2OC(F)(F)C(F)(F)Oc2(c1))C(=O)C	5.31
36865-72-2	N#CC(=NNc1ccc(cc1C(F)(F)F)Cl)C(=O)OC	4.66
36865-77-7	N#CC(=NNc1ccc(c(c1)Cl)Cl)C(=O)OCC	4.66
36874-60-9	N#CC(=NNc1ccc(c(c1)C(F)F)Cl)C(=O)OC	3.8
36874-67-6	N#CC(=NNc1cccc(c1)Cl)C(=O)OCC	3.94
36874-69-8	N#CC(=NNc1cccc(c1)Cl)C(=O)OC	3.6
36874-72-3	N#CC(=NNc1cc(C#N)ccc1(C#N))C(=O)OC	2.81
36874-74-5	N#CC(=NNc1ccccc1)C(=O)OC	2.59
36894-69-6	O=C(N)c1cc(ccc1(O))C(O)CNC(C)CCc2ccccc2	3.09
36905-04-1	N#CC(=NNc1cc(c(cc1Cl)Cl)Cl)C(=O)OC	5.15
36975-20-9	O=C(c1c(nc(N)s1)C)CCN(C)C	1.47
37053-15-9	O=C1C=CN(C=C1(O))CCN	-0.66
37080-10-7	O=C(C=Cc1ccc(OCC)cc1)C	2.73
37148-00-8	O=S2(=O)(NC(=Nc1cc(ccc12)Br)C)	1.37
37148-02-0	O=S2(=O)(NC(=Nc1ccc(cc12)I)C)	1.61
37148-03-1	O=S2(=O)(NC(=Nc1cc(ccc12)CC)C)	1.25
37148-07-5	O=[N+]([O-])c1ccc2N=C(NS(=O)(=O)c2(c1))C	0.65
37148-08-6	O=S2(=O)(NC(=Nc1cc(N)c(cc12)Cl)C)	0.63
37148-09-7	O=C(Nc1cc2N=C(NS(=O)(=O)c2(cc1Cl))C)C	0.53
37148-13-3	O=S2(=O)(NC(=Nc1c(cc(cc12)Cl)I)C)	1.81
37148-19-9	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CCC)	2.04
37148-20-2	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C(C)C)	2
37148-21-3	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CC(C)C)	2.35
37148-22-4	O=S2(=O)(NC(=Nc1ccc(cc12)Cl)C(C)CC)	2.47
37148-24-6	O=S2(=O)(NC(=Nc1ccc(cc12)Cl)C3CCC3)	2.24
37157-54-3	O=S2(=O)(NC(=Nc1ccc(cc12)Cl)CC(C)(C)C)	2.71
37157-57-6	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CCl)	1.68
37157-59-8	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C=CC)	1.96
37157-71-4	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)COC)	1.12
37157-79-2	O=[N+]([O-])c2cc(cc1c2(N=C(NS1(=O)(=O))C))Cl	0.85
37157-82-7	O=S2(=O)(NC(=Nc1ccc(cc12)S(=O)(=O)N(C)C)C)	0.32
37157-85-0	O=S2(=O)(NC(=Nc1ccc(cc12)Cl)CCCC)	2.52
37157-88-3	O=S2(=O)(NC(=Nc1ccccc12)C3CCCCC3)	2.2
37157-89-4	O=S2(=O)(NC(=Nc1ccccc12)C3=CCCC3)	1.69
37157-90-7	O=S2(=O)(NC(=Nc1ccccc12)C3CC=CC3)	1.53
37157-91-8	O=S2(=O)(NC(=Nc1ccccc12)C3CC=CCC3)	2.05
37157-92-9	O=S2(=O)(NC(=Nc1ccccc12)C4CC3C=CC4(C3))	2.06
37157-95-2	O=S2(=O)(NC(=Nc1ccccc12)c3cccs3)	1.68
37157-96-3	O=S2(=O)(NC(=Nc1ccccc12)c3occc3)	1.06
37157-97-4	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)C(Cl)Cl)	1.81
37157-99-6	O=S2(=O)(N=C(N)Nc1cc(ccc12)Cl)	0.91
37158-00-2	O=S2(=O)(NC(=Nc1cc(ccc12)Cl)CSCC)	2.26
37163-41-0	O=C(Nc1ccc(F)cc1)CN2CCCCC2	2.7
37174-09-7	FC(F)(F)CN(CC)CC	1.88
37178-37-3	O=C(OCC)C(N)Cc1ccc(O)c(O)c1	0.28
37183-26-9	O=C(Nc1ccccc1[N+](=O)[O-])c2ccccc2(O)	2.87
37350-58-6	OC(COc1ccc(cc1)CCOC)CNC(C)C	1.88
37385-07-2	O=[N+]([O-])c2cnc(N=C1N(C)CC(O)CN1C)s2	0.16
37394-79-9	O=[N+]([O-])c2cnc(N=C1NCC(O)CN1)s2	0.74
37399-40-9	O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)c2ccccc2(O)	4.09
37422-15-4	O=[N+]([O-])c2cnc(N1C(=NCC1)SC)s2	1.78
37427-69-3	O=C(OCCN2C(=Nc1ncc([N+](=O)[O-])s1)SCC2)C	1.88
37517-30-9	O=C(Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C)CCC	1.71
37595-73-6	O=S(=O)(Nc1ccc(cc1)C)C(F)(F)F	3.6
37640-71-4	c1ccc(cc1)N(CCCN(CC)CC)C3Cc2ccccc2C3	4.86
37680-65-2	c1ccc(c(c1)c2cc(ccc2Cl)Cl)Cl	5.55
37680-66-3	c1ccc(c(c1)c2ccc(cc2Cl)Cl)Cl	5.76
37680-73-2	c1cc(c(cc1Cl)c2cc(c(cc2Cl)Cl)Cl)Cl	6.8
37761-96-9	O=C1NC(=Nc2[nH]nnc12)c3ccccc3	1.27
37764-25-3	O=C(N(CC=C)CC=C)C(Cl)Cl	1.84
37813-54-0	n1nc(ccc1SC)SC	1.85
37865-86-4	O(c1ccc2cc[nH]c2(c1))CC	2.53
37895-44-6	O=C(N)c1no[n+]([O-])c1C	0.03
37933-88-3	O=C(N)C(NC(=O)C)C(C)C	-0.61
37941-84-7	O=C(OCC)C(NC(=O)CNC(=O)CNC(=O)CCCCSc2ncnc1[nH]cnc12)CC(C)C	1.07
37984-36-4	O=C(O)Cc2ccccc2(Nc1cccc(c1C)Cl)	4.64
37989-04-1	n1ccccc1c2nc(N)c3ccccc3(c2)	2.74
38035-81-3	O=C2Nc3ccccc3(C=C2(c1ccccc1))	2.99
38064-90-3	O(c1ccc(c(OC)c1)C)C	2.76
38087-61-5	O=C(O)C3N2C(=O)C(NC(=O)C(NC(=O)C)c1ccccc1)C2SC3(C)(C)	0.9
38099-11-5	O=C1NC(=O)N(C=C1(N=NN(C)C))C2OC(CO)C(O)C2(O)	-1.82
38103-61-6	O=C(N)c2ccc(OCCNCC(O)COc1ccccc1C)cc2	2.22
38191-26-3	O=C(NN)Nc1ccccc1(O)	0.33
38194-50-2	O=C(O)CC=2c3cc(F)ccc3(C(=Cc1ccc(cc1)S(=O)C)C=2C)	3.42
38196-44-0	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CCCC)(C(=O)COC(=O)CCCC)C4(C)(CC(O)C23(F)))(C)	5.26
38196-45-1	O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CCC2(OC(=O)CCCC)(C(=O)CO)))))(C)	3.82
38212-33-8	c1cc(ccc1N2CCNCC2)Cl	2.01
38212-89-4	O=C(O)C4N3C(=O)C(NC(=O)C(C(=O)Oc1ccccc1)c2ccccc2)C3SC4(C)(C)	3.14
38291-82-6	O=C(NN)CCCC	-0.11
38326-36-2	O=C(OCC)C1=CN=C2N(C1(=O))CCCC2	0.15
38353-69-4	O=C(OCCOC(=O)C)c1ccccc1	1.85
38363-40-5	OC(COc1ccccc1C2CCCC2)CNC(C)(C)C	4.15
38367-19-0	O=C(Nc1cccc(c1)Cl)CN2CCCCC2	3.45
38367-20-3	O=C(Nc1cccc(c1)C)CN2CCCCC2	2.97
38367-22-5	O=C(Nc1ccc(cc1)[N+](=O)[O-])CN2CCCCC2	2.72
38367-23-6	O=C(Nc1ccccc1Cl)CN2CCCCC2	2.76
38379-99-6	c1cc(c(cc1Cl)c2c(ccc(c2Cl)Cl)Cl)Cl	6.55
38380-01-7	c1cc(cc(c1c2cc(c(cc2Cl)Cl)Cl)Cl)Cl	7.21
38380-02-8	c1cc(c(c(c1c2cc(ccc2Cl)Cl)Cl)Cl)Cl	6.85
38380-03-9	c1cc(c(cc1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl	6.22
38380-04-0	c2cc(c(c(c1cc(c(cc1Cl)Cl)Cl)c2Cl)Cl)Cl	7.28
38380-05-1	c1cc(c(c(c1c2c(ccc(c2Cl)Cl)Cl)Cl)Cl)Cl	7.04
38380-07-3	c1cc(c(c(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl)Cl	7.31
38380-08-4	c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl	7.6
38397-06-7	O=[N+]([O-])c1ccc2c(O)cccc2(c1)	3.5
38411-22-2	c2cc(c(c(c1c(ccc(c1Cl)Cl)Cl)c2Cl)Cl)Cl	7.12
38444-73-4	c1ccc(c(c1)c2c(cccc2Cl)Cl)Cl	5.48
38444-77-8	c2cc(c(c1ccc(cc1)Cl)c(c2)Cl)Cl	5.75
38444-78-9	c1ccc(c(c1)c2cccc(c2Cl)Cl)Cl	5.31
38444-81-4	c1cc(cc(c1)Cl)c2cc(ccc2Cl)Cl	5.76
38444-84-7	c1cc(cc(c1)Cl)c2cccc(c2Cl)Cl	5.57
38444-85-8	c2cc(c1ccc(cc1)Cl)c(c(c2)Cl)Cl	5.42
38444-86-9	c1ccc(c(c1)c2ccc(c(c2)Cl)Cl)Cl	5.87
38444-87-0	c1cc(cc(c1)Cl)c2cc(cc(c2)Cl)Cl	5.81
38444-90-5	c1cc(ccc1c2ccc(c(c2)Cl)Cl)Cl	5.9
38444-93-8	c2cc(c1cccc(c1Cl)Cl)c(c(c2)Cl)Cl	6.18
38488-14-1	O=C(c1ccc(cc1)C)CS(=O)(=O)c2ccccc2	2.7
38488-19-6	O=C(c1ccc(cc1)Cl)CS(=O)(=O)c2ccccc2	2.69
38507-32-3	O=C1C(=C(N(C(=O)N1C)C)C)N(C)C	0.99
38557-71-0	n1cc(nc(c1)Cl)C	1.04
38580-89-1	O=C(OC(C)C)N(C)C	1.38
38603-23-5	n1c[nH]cc1CSCCNC(NC)=S	0.16
38603-64-4	O=C(NC)NCCSCc1[nH]cnc1C	-0.06
38604-70-5	O=C(N(Nc1ccccc1)C)C	1.31
38695-60-2	O=S(=O)(c1cccs1)C	0.38
38696-40-1	C1=C(C(=S)SS1)CCC	3.18
38717-44-1	n1nc(cc(c1)N(C)C)N(C)C	0.84
38726-90-8	[N-]=[N+]=CC(=O)NCC(=O)NC	-0.87
38726-91-9	[N-]=[N+]=CC(=O)NCC(=O)NCC	-0.62
38727-55-8	O=C(OCC)CN(C(=O)CCl)c1c(cccc1CC)CC	3.6
38776-76-0	OC2CC1C(C)C4CCC3C(O)C4(CC(O)C1(O)C2(C)(C))(CC3(O)(C))	1.51
38941-33-2	N(=C1NCCN1)c2c(cc(cc2Br)Br)Br	2.75
38954-41-5	O=C(NC2CC2(c1ccccc1))C	1.43
39000-84-5	O=C(Nc1c(cccc1C)C)C(N(CC)CC)C	2.73
39001-02-0	o1c3c(c2c1c(c(c(c2Cl)Cl)Cl)Cl)c(c(c(c3Cl)Cl)Cl)Cl	8.6
39070-08-1	O=[N+]([O-])c1ncc(C=C)n1C	0.64
39070-09-2	O=[N+]([O-])c1ncc(n1C)C(O)CO	-0.89
39076-18-1	O=C(OC)Nc1cccc(c1)C	2.29
39080-46-1	O=C1C(=CN=C2C=CC=C(N12)C)C	1.26
39080-49-4	O=C1C=C(N=C2N1C(C)CCC2)C	0.67
39080-57-4	O=C1C(=CN=C2C=CC=CN12)C	0.77
39080-62-1	O=C(OCC)C1=CNC2N(C1(=O))CCCC2	0.57
39115-94-1	O=C(NN)c1cccc(c1)I	1.53
39115-95-2	O=C(NN)c1ccc(cc1)I	1.55
39115-96-3	O=C(NN)c1cccc(c1)Br	1.26
39123-39-2	O=C(OCC)c1cnncc1	0.23
39170-83-7	OC1C(C)CCCC1(C)	2.28
39190-66-4	N(CCC)CC(C)C	2.07
39190-67-5	N(CCC)C(C)CC	1.91
39201-78-0	O(c1cc(cc(OC)c1(OCCC))CCN)C	1.7
39201-82-6	O(c1cc(cc(OC)c1(OCC))CCN)C	1.11
39209-88-6	n1cc(nc2ccccc12)OC	2.31
39227-53-7	O1c3ccccc3(Oc2c1cccc2Cl)	4.75
39227-54-8	O1c3ccccc3(Oc2cc(ccc12)Cl)	5
39227-58-2	O1c3ccccc3(Oc2c1c(cc(c2Cl)Cl)Cl)	6.35
39227-61-7	O1c3ccc(cc3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl	7.4
39495-15-3	O=C(Nc1ccc(O)cc1C)C	0.17
39512-51-1	c1ccc(c(c1)N2CCNCC2)C	2.14
39515-41-8	N#CC(OC(=O)C1C(C)(C)C1(C)(C))c3cccc(Oc2ccccc2)c3	5.7
39515-51-0	O=Cc2cccc(Oc1ccccc1)c2	3.38
39552-01-7	O=C(c1oc2c(OCC(O)CNC(C)C)cccc2(c1))C	2.02
39617-16-8	O=C(NCc1ccc(OCC(O)CNC(C)C)cc1)C	0.32
39635-34-2	c1c(cc(c(c1Cl)Cl)Cl)c2cc(cc(c2Cl)Cl)Cl	7.47
39635-35-3	c1c(cc(cc1Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl	7.43
39638-51-2	O=C(OCCC)C(N)Cc1ccc(O)c(O)c1	0.76
39640-62-5	O=C(N)Cc1ccncc1	-0.65
39700-44-2	O1C(CCC1)=S	0.6
39791-38-3	O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(=O)CC23(C))))C	2.45
39807-15-3	O=C1OC(=NN1c2cc(OCC#C)c(cc2Cl)Cl)C(C)(C)C	3.95
39824-09-4	OCC1OC(OCCCC)C(O)C(O)C1(O)	-1.04
39824-10-7	OCC1OC(OCCCCC)C(O)C(O)C1(O)	-0.42
39824-11-8	OCC1OC(OCCCCCC)C(O)C(O)C1(O)	0.16
39835-28-4	O=[N+]([O-])c1ccc2oncc2(c1)	1.46
39845-47-1	C#CC3(O)(CCC2C4CCc1cc(O)ccc1C4(C(CC)CC23(C)))	4.28
39856-64-9	O=C(OCc1coc(c1)Cc2ccccc2)C	3.24
39860-12-3	n1c(N)n(c2ccc(cc12)C)C	1.47
39880-77-8	O=C(NC)c1cccs1	0.84
39923-25-6	O=C1c2ccccc2(N=NN1CSP(=O)(OCC)OCC)	1.63
39928-74-0	O=Cc1cnc(n1C)[N+](=O)[O-]	-0.1
39938-79-9	O=C(Nc1cccc(N)c1)N(C)C	-0.1
39960-99-1	O=C(N)c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO	-0.48
39961-02-9	O=C(Nc1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO)C2CC2	0.75
39961-07-4	O=C(N)Nc1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO	-0.6
39965-42-9	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC(C)(C)C	2.33
40016-42-0	O=[N+]([O-])c2cnc(N1C(NCC1)=S)s2	1.7
40026-24-2	O=C(O)C2Oc1ccc(cc1CC2)Cl	2.4
40027-72-3	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CBr	0.66
40027-73-4	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CI	1.03
40065-00-7	FC(F)(F)c2ccccc2(N=C1NCCN1)	1.42
40065-09-6	N(=C1NCCN1)c2c(cc(cc2Cl)Br)Cl	2.66
40089-90-5	n1ccc(cc1)CCCCCCC	5
40117-28-0	[O-][N+](=Cc1ccc(OC)cc1)C(C)(C)C	1.21
40117-29-1	[O-][N+](=Cc1ccc(cc1)C)C(C)(C)C	1.74
40186-72-9	c2c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl	9.14
40228-90-8	O=C(O)CCCCCCc1ccccc1	3.63
40246-14-8	O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(O)C(OC(=O)C)C2)C(O)C3)C(OC(=O)C)C4)CCC5(C)C8(CC(O)C67(C)))	2.45
40256-75-5	O=C(NCCN(CC)CC)c1cc(ccc1(OC))Cl	3.11
40257-94-1	N#CC(C#N)=NNc1ccc(cc1)C	3.2
40262-48-4	N#Cc1nc(cnc1)N(C)C	1.12
40262-54-2	O=C(OC)c1nc(cnc1)N(C)C	0.9
40262-55-3	O=C(N)c1nc(cnc1)N(C)C	0.38
40274-67-7	O=C(O)c1ccc2Oc3ccccc3(C(=O)c2(c1))	3.12
40279-26-3	n1c2ccccc2(ccc1SC)	3.04
40295-80-5	OC(c1ccc2ccccc2(c1))C	2.68
40297-47-0	O=C(Nc1cccc(OC)c1)CN2CCCCC2	2.71
40321-76-4	O1c3cc(c(cc3(Oc2c1cc(c(c2Cl)Cl)Cl))Cl)Cl	6.64
40361-79-3	O=C(OC)c1cnc(n1C)[N+](=O)[O-]	0.51
40427-75-6	OCC1OC(OCCCCCCCC)C(O)C(O)C1(O)	1.46
40487-42-1	O=[N+]([O-])c1cc(c(c(c1(NC(CC)CC))[N+](=O)[O-])C)C	5.18
40533-52-6	n1c(nc(nc1NCC2CC2)Cl)NCC	2.85
40575-34-6	O=C(Oc1ccc(cc1Cl)Cl)N2CCCC2	3.94
40581-94-0	O1c3cc(c(cc3(Oc2c1c(ccc2Cl)Cl))Cl)Cl	6.39
40596-69-8	O=C(OC(C)C)C=C(C=CCC(C)CCCC(OC)(C)C)C	5.5
40611-76-5	O=C(OC)c1c[nH]c(c1)C	1.96
40637-78-3	O=C(N)c1c(cccc1C)[N+](=O)[O-]	0.1
40673-68-5	O=C(c1ccccc1(NCCO))C	1.59
40725-71-1	O=P(N(C)C)(N(C)C)N1CCCC1	0.82
40805-79-6	N#Cc1cncnc1	-0.5
40837-24-9	O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))COC	1.32
40837-34-1	O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2(F)))COC	1.31
40843-25-2	O=C(O)C(Oc2ccc(Oc1ccc(cc1Cl)Cl)cc2)C	4.58
40852-07-1	n1cc(cc2nc([nH]c12)SC)Cl	2.39
40861-87-8	O=C1C=C(OC(=C1(O))CCC)C	1.4
40863-78-3	O=C(OCc2c1C(=O)C(OC)=C(C(=O)c1n3c2C(OC(=O)C)CC3)C)N	1.54
40912-73-0	O=C(N)c1cc(cc(c1(O))C)Br	2.76
40912-87-6	O=C(NC)c1cc(cc(c1(O))C)Br	3.51
40912-88-7	O=C(NCC)c1cc(cc(c1(O))C)Br	3.61
40912-89-8	O=C(NCCCC)c1cc(cc(c1(O))C)Br	4.21
40929-49-5	O=C(N)c1cncnc1	-0.92
40929-50-8	O=C(OCC)c1cncnc1	0.52
40948-30-9	O=C(NCCCN(C)C)c1ccccc1	1.27
41020-77-3	O=C1OC4(CC1)(CCC3C5C(C(=O)OCC)CC2=CC(=O)CCC2(C)C5(CCC34(C)))	2.54
41038-69-1	n1cccc(c1)CCCN	0.44
41078-01-7	O=C1NC(=O)N(c2[nH]cnc12)CC	-0.11
41078-02-8	O=C1NC(=O)N(c2[nH]cnc12)CCC	0.33
41078-03-9	O=C1NC(=O)N(c2[nH]cnc12)CCCC	0.84
41083-11-8	n1cnn(c1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4	5.3
41100-45-2	NC13(CC2CC(C1)CC(CC)(C2)C3)	3.4
41107-56-6	O=C1C=CN(C(=O)N1)C2OC(CO)C(F)C2	-0.49
41110-33-2	O=C(OC)c1ncc(nc1)C	0.17
41110-34-3	O=C(OCC)c1ncc(nc1)C	0.61
41110-38-7	O=C(OC)c1nc(cnc1)C	0.1
41110-39-8	O=C(OCC)c1nc(cnc1)C	0.51
41110-59-2	O=NN(C(=O)NCC1OC(OC)C(O)C(O)C1(O))C	-1.57
41167-74-2	O=C2N(c1ccc(cc1)Br)C(=O)CC2	1.18
41198-08-7	O=P(Oc1ccc(cc1Cl)Br)(OCC)SCCC	4.68
41205-21-4	O=C1C(=C(C(=O)N1c2ccc(F)cc2)Cl)Cl	2.3
41229-10-1	n1cnc(c2ccccc12)N3CCCCC3	2.92
41394-05-2	O=C1C(=NN=C(N1(N))C)c2ccccc2	0.83
41410-39-3	N#CNC(=N)Nc1ccccc1	1.05
41411-63-6	c1cc(ccc1c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl	7.31
41451-75-6	O=C(OC3C(=O)OC2CC1C(=C(O)C(=O)CC1(C)C5C(O)C(O)C4(OCC25(C34))(C(=O)OC))C)C=C(C)C(C)C	1.66
41464-39-5	c2cc(c1cc(ccc1Cl)Cl)c(c(c2)Cl)Cl	5.81
41464-40-8	c1cc(cc(c1c2cc(ccc2Cl)Cl)Cl)Cl	6.22
41464-49-7	c2cc(c1cc(cc(c1)Cl)Cl)c(c(c2)Cl)Cl	6.17
41464-51-1	c2cc(c1cc(c(cc1Cl)Cl)Cl)c(c(c2)Cl)Cl	6.67
41483-43-6	O=S(=O)(Oc1nc(nc(c1CCCC)C)NCC)N(C)C	2.7
41532-81-4	O(c1ccccc1)CCOC	1.73
41536-80-5	n1cc(nc(N)c1)N	-0.45
41538-42-5	O(c1cc(c(OC)cc1CC(N)C)C(C)(C)C)C	3.91
41643-81-6	O=C(OCC)COc1cccc2ccccc12	2.9
41656-75-1	O=CNc1ccc(cc1)C(=O)C	0.94
41708-72-9	O=C(Nc1c(cccc1C)C)C(N)C	0.76
41744-40-5	O=C(O)C3N2C(=O)C(NC(=O)C(c1ccccc1)S(=O)(=O)O)C2SC3(C)(C)	0.59
41859-85-2	O=C(NCc1ccc(O)cc1)c2ccccc2	1.87
41941-66-6	O=P4(O)(OCC5OC(n1c3ncnc(N)c3(nc1Sc2ccc(cc2)Cl))C(O)C5(O4))	-0.98
41992-17-0	O=C1CC[Ge](CC)(CC)CC1	3.32
42013-74-1	O=N1C(C)(C)CC(N(C)CCO)CC1(C)(C)	0.53
42103-65-1	O=C(O)C=COc1ccccc1	2.27
42116-76-7	O=[N+]([O-])c1cnc(n1CCNC(OC)=S)C	1.15
42126-84-1	c1ccc2c(c1)c3ccc4C=CCc5ccc2c3c45	5.78
42135-22-8	O=C2c1ccccc1c3cc(ccc23)[N+](=O)[O-]	3.06
42144-78-5	n1c(OCC)cccc1Cl	2.55
42175-93-9	O=C(NCc1ccccc1)CN2CCCC2	1.69
42200-33-9	OC(COc1cccc2c1CC(O)C(O)C2)CNC(C)(C)C	0.81
42270-37-1	n1ccsc1N2CCNCC2	0.61
42288-41-5	O=C(O)COc1ccc(cc1)S(=O)(=O)C	0.06
42307-14-2	O=[N+]([O-])c1cncn1CC#C	0.52
42322-29-2	O=C(Oc1cccc2cccnc12)OCC	1.73
42327-99-1	O=C(C)C(C)CN1CCCCC1	1.28
42346-68-9	O=C(O)C1CC(=O)N(C)C1	-1.5
42464-80-2	O=C(Nc2cccc1ncccc12)C	0.71
42471-28-3	O=NN(C(=O)NCc1cnc(nc1(N))C)CCCl	0.39
42509-80-8	n1c(nn(c1Cl)C(C)C)OP(OCC)(OCC)=S	3.82
42548-73-2	O=C(N)c1ccc(N=NN(O)C)cc1	-0.22
42558-93-0	O=NN(C(=O)NC1CCC(C(=O)O)CC1)CCCl	1.61
42576-02-3	O=C(OC)c2cc(Oc1ccc(cc1Cl)Cl)ccc2[N+](=O)[O-]	4.48
42583-67-5	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(F)(F)F	1.07
42585-33-1	O=N1C(C)(C)CC(NC)CC1(C)(C)	0.84
42609-73-4	O=C(NC(c1ccccc1)(C)C)N(c2ccccc2)C	3.02
42755-32-8	n1nc(sc1C)SCc2ccccc2	2.35
42835-25-6	O=C(O)C3=CN2c1c(cc(F)cc1CCC2C)C3(=O)	1.6
42839-04-3	N#Cc1ncncc1	-0.08
42839-08-7	O=C(OCC)c1ncccn1	-0.31
42865-65-6	O=C(Nc1cccc(c1)C(=O)C)N(C)C	0.95
42874-01-1	O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)C(F)(F)F)cc2	4.54
42874-03-3	O=[N+]([O-])c2ccc(Oc1ccc(cc1Cl)C(F)(F)F)cc2(OCC)	4.73
42924-53-8	O=C(C)CCc1ccc2cc(OC)ccc2(c1)	3.08
43013-70-3	O=C(OCC)C=COc1ccccc1	3.18
43032-67-3	O=S(=O)(c1cccc(OC)c1)C	0.76
43121-43-3	O=C(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C	2.77
43170-88-3	O=C(OCC)CCC(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3(N))N)C(=O)OCC	0.98
43170-96-3	n1c(cn2c1CCCC2)CCN	0.59
45810-14-8	O=C(Nc1cncnc1)C	-0.22
46061-25-0	O=NN1CCC(CC1)C(C)(C)C	2.54
46114-16-3	NC(Cc1ccccc1)C(C)C	2.59
46209-39-6	n1cnn(c1)Cc2ccc(cc2)Cl	1.84
46348-76-9	O=C(C=C)NCCCN1CCOCC1	-0.53
46781-41-3	N=1C(=NC(N(C=1N)c2ccc(cc2)I)(C)C)N	1.39
46833-92-5	O=C(NC(=N)N)Nc1ccc(c(c1)Cl)[N+](=O)[O-]	1.79
47071-11-4	FC(F)(F)c1ccc(cc1)N2C(=NC(=NC2(C)C)N)N	1.22
47082-97-3	C#CCOc1ccccc1(OCC(O)CNC(C)(C)C)	2.32
47141-42-4	O=C2c1cccc(OCC(O)CNC(C)(C)C)c1CCC2	2.4
49540-85-4	O=C(Oc1ccc(N=C=S)cc1)c2ccccc2	4.9
49547-83-3	o1cccc1CCCN(C)C	2.08
49558-02-3	O=[N+]([O-])c1no[n+]([O-])c1C	0.78
49561-47-9	O=[N+]([O-])c2oc(C=Cc1nccs1)cc2	1.97
49606-44-2	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl)CC(F)(F)F	3.36
49648-35-3	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(C)Cl	0.98
49648-37-5	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(F)F	0.42
49648-38-6	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])CF	0.15
49648-42-2	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(Br)(Br)Br	2.17
49648-47-7	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])Cc2ccccc2	1.52
49648-48-8	N#CC(C(=O)NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])c2ccccc2	1.47
49648-49-9	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(CC)CC	1.71
49648-50-2	O=C(NC(CO)C(O)c1ccc(cc1)[N+](=O)[O-])C(C)(C)C	1.33
49648-53-5	O=C(NC(CO)C(O)c1ccc(cc1)I)C(Cl)Cl	2.22
49648-64-8	O=C(NC(CO)C(O)c1ccc(cc1)c2ncccc2)C(F)(F)F	1.31
49739-37-9	[O-][n+]1onc(c1Sc2ccccc2)C	2.74
49739-38-0	O=S(=O)(c1no[n+]([O-])c1C)CC	0.65
49739-39-1	O=S(=O)(c1nonc1C)CC	0.92
49739-41-5	O=S(=O)(c1no[n+]([O-])c1C)c2ccccc2	2.03
49739-42-6	O=S(=O)(c1nonc1C)c2ccccc2	2.36
49739-43-7	O=S(=O)(c1ccccc1)c2c(no[n+]2([O-]))C	2.26
49845-48-9	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)C	2.14
50267-50-0	O=C2C1=C(CCCC1)SS2	2.4
50275-23-5	n1onc(c1C)Sc2ccccc2	2.92
50285-70-6	O=NN(C(=O)N(CC)CC)CC	1.54
50285-71-7	O=NN(C(=O)N(C)C)CC	0.71
50285-72-8	O=NN(C(=O)N(CC)CC)C	1.11
50342-50-2	O=C(N)c1oc2ccccc2(c1)	1.54
50375-10-5	O(c1c(ccc(c1Cl)Cl)Cl)C	3.64
50394-27-9	O=C1OC4(CC1)(CCC3C6CCC2=CC(=O)CCC2(C)C56(OC5(CC34(C))))	1.89
50397-65-4	O=C(OC)CS(=O)(=O)c1ccc(cc1)Br	1.52
50405-18-0	O=C(NN)NCCCCC	-0.04
50405-44-2	O=C1OC(C)C(C)C(O)C1C	0.36
50463-48-4	O=C(O)CCc2ccc(OCc1ccccc1)cc2	3.31
50471-44-8	O=C1OC(C=C)(C(=O)N1c2cc(cc(c2)Cl)Cl)C	3.1
50512-35-1	O=C(OC(C)C)C(C(=O)OC(C)C)=C1SCCS1	2.88
50531-51-6	N(=C1NCCN1)c2cc(OC)ccc2(OC)	0.97
50550-65-7	O=NN1C(=O)CCCC1	-1.05
50563-36-5	O=C(N(c1c(cccc1C)C)CCOC)CCl	2.17
50574-87-3	O=C(N1CCOCC1)COc2ccc(cc2)N3C(=NC(=NC3(C)C)N)N	-1.18
50585-76-7	O=S(=O)(Nc1ccc(cc1)Cl)CF	2.25
50585-77-8	O=S(=O)(Nc1ccc(cc1)c2ccccc2)C(F)(F)F	4.97
50590-05-1	O=[N+]([O-])c1c(cc(OP(OC)(OC)=S)cc1C)C	3.89
50590-06-2	O=[N+]([O-])c1c(cc(OP(=O)(OC)OC)cc1C)C	2.57
50594-66-6	O=C(O)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]	3.7
50594-67-7	O=C(OC)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]	4.26
50615-69-5	OCC1OC(C(O)C(O)C1(O))SCCCCCCC	1.5
50615-70-8	OCC1OC(C(O)C(O)C1(O))SCCCc2ccccc2	0.38
50618-71-8	O=C(NS(=O)(=O)c1ccccc1)N(CC)CC	0.99
50629-82-8	O=C2C=C3C(F)CC1C4CC(C)C(O)(C(=O)CO)C4(C)(CC(O)C1(F)C3(C=C2Cl)C)	2.58
50693-98-6	O=C(OC)CSc1ccccc1[N+](=O)[O-]	1.88
50700-61-3	O=C1C=CN(C=C1(O))C	-0.7
50702-39-1	O=S(=O)(N)c1cccc(c1)I	1.58
50728-06-8	O=P(OCC)(CC)SCCSCC	2.03
50780-68-2	O=C(OCCC)C(C(=O)OCCC)=C1SCCS1	3.35
50780-69-3	O=C(OCCCC)C(C(=O)OCCCC)=C1SCCS1	4.6
50780-72-8	O=C(OC(C)(C)C)C(C(=O)OC(C)(C)C)=C1SCCS1	4.01
50780-76-2	O=C(OCC)C(C(=O)OC(C)C)=C1SCCS1	2.9
50782-69-9	O=P(OCC)(C)SCCN(C(C)C)C(C)C	2.09
50785-22-3	O=C(OCC(=O)N)c1ccccc1(OC(=O)C)	0.22
50785-24-5	O=C(OCC(=O)OCC)c1ccccc1(OC(=O)C)	1.67
50789-46-3	O=C(NC)c2cccc(Oc1ccccc1)c2	2.86
50832-71-8	O=[N+]([O-])c2oc(C=Cc1nnc[nH]1)cc2	1.1
50846-57-6	O=C(NCCn1c(ncc1[N+](=O)[O-])C)C	-0.47
50868-74-1	O=C(Nc1cccc(OC)c1C)C	1.13
50916-16-0	O=C(Nc1cccc(c1)C)Cc2ccccc2	3.14
50916-19-3	O=C(Nc1cccc(OC)c1)Cc2ccccc2	2.86
50916-21-7	O=C(Nc1ccc(OC)cc1)Cc2ccccc2	2.49
50917-19-6	O=C1C(=NN=C(N1(N))N2CCOCC2)C(C)C	0.49
50917-22-1	O=C1C(=NN=C(N1(N))SCC)C(C)C	1.52
50917-23-2	O=C1C(=NN=C(N1(N))SCCC)C(C)C	2.12
50917-24-3	O=C1C(=NN=C(N1(N))SC(C)C)C(C)C	2.06
50917-25-4	O=C1C(=NN=C(N1(N))SCCCC)C(C)C	3.21
51008-91-4	O=C1OCC(=C1)C4C(OC(=O)C)CC5(O)(C6CCC3CC(OC2OC(C)C(OC(=O)C)C(OC)C2)CCC3(C)C6(CCC45(C)))	2.95
51012-32-9	O=C(NCCN(CC)CC)c1cc(ccc1(OC))S(=O)(=O)C	0.9
51022-76-5	O=[N+]([O-])c1cnc(n1CCNC(OC)=S)CC	1.46
51048-00-1	O=C(O)C1Oc2ccccc2(C(=O)C1)	1.26
51055-31-3	O=C(NCCC)c1cnccc1	0.66
51074-95-4	O=C(Oc1ccc(cc1)C(=O)N)C	0.27
51092-19-4	N#CC4CC1=CC(=O)CCC1(C)C5CCC3(C)(C(CCC23(OC(=O)CC2))C45)	1.67
51114-25-1	O=C(OCC)CN(C(=O)CCl)c1ccccc1Cl	2.3
51114-26-2	O=C(OCC)CN(c1ccccc1)C(=O)CCl	1.6
51152-91-1	OC5(CCN4CC3c1ccccc1CCc2cccc(c23)C4C5)C(C)(C)C	5.2
51170-56-0	O=C(OCc1ccccc1)N(CC)CC	2.93
51207-31-9	o2c1cc(c(cc1c3cc(c(cc23)Cl)Cl)Cl)Cl	6.53
51218-45-2	O=C(N(c1c(cccc1CC)C)C(C)COC)CCl	3.02
51218-49-6	O=C(N(c1c(cccc1CC)CC)CCOCCC)CCl	4.08
51220-06-5	N#Cc1ccc(cc1)C=CC(=O)C	1.64
51234-28-7	O=C(O)C(c1ccc2oc(nc2(c1))c3ccc(cc3)Cl)C	3.23
51235-04-2	O=C1N=C(N(C(=O)N1C2CCCCC2)C)N(C)C	1.85
51246-73-2	O=C(c1ccncc1)c2ccccc2(OC)	1.86
51246-76-5	O=C(c1ccncc1)c2ccc(cc2)S(=O)(=O)N	0.56
51246-77-6	O=C(c1ccncc1)c2ccc(O)cc2	1.37
51246-79-8	O=C1N=C(N)C=CN1C2OC(CO)C(F)C2	-0.89
51264-00-7	n1c[nH]c(c1CCCCNC(NC)=S)C	0.85
51264-74-5	O=Cc1ccc(OCCOC(=O)CC)c(OC)c1	1.33
51307-86-9	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2(F)))CC	2.92
51308-54-4	n2cccc(N=C(SCc1ccc(cc1)C(C)(C)C)SCCCC)c2	7
51338-10-4	O=C(O)COc2ccc(Oc1ccc(cc1Cl)Cl)cc2	4.51
51338-27-3	O=C(OC)C(Oc2ccc(Oc1ccc(cc1Cl)Cl)cc2)C	4.62
51344-12-8	O(c1ccc(OCCN(C)C)cc1)C	1.23
51344-14-0	O(c1ccc(cc1)C)CCN(C)C	2.17
51422-77-6	O=C(OC)Nc1cccc(OC)c1	1.92
51450-97-6	O=C2ON=C(C2(=NNc1ccccc1Cl))C	2.6
51460-47-0	O=C(N)c1ccsc1	0.5
51466-74-1	O(c1ccccc1)[Si]23(OCCN(CCO2)CCO3)	-0.3
51466-75-2	O(c1ccc(cc1)C)[Si]23(OCCN(CCO2)CCO3)	0.08
51466-76-3	O(c1ccc(cc1)Cl)[Si]23(OCCN(CCO2)CCO3)	0.6
51527-19-6	O=C(O)Cc2c(c1cc(ccc1s2)Cl)C	3.92
51543-29-4	O=S(=O)(c1ccc(N)cc1)N(c2ncccc2)C	1.3
51575-56-5	OCC1OC(C(O)C(O)C1(O))SCCCCCC	0.86
51581-33-0	O=C(Oc1cccnc1[N+](=O)[O-])N(C)C	0.54
51581-34-1	O=C(Oc1cccnc1Cl)N(C)C	1.04
51581-35-2	O=C(Oc1cccnc1Br)N(C)C	1.14
51581-36-3	O=C(Oc1cccnc1I)N(C)C	1.26
51596-10-2	O=C3OC2CC(OC1(OC(C)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C	5.3
51596-11-3	O=C3OC2CC(OC1(OC(CC)C(C)CC1)C2)CC=C(C)CC(C=CC=C4COC5C(O)C(=CC3C45(O))C)C	5.9
51630-58-1	N#CC(OC(=O)C(c1ccc(cc1)Cl)C(C)C)c3cccc(Oc2ccccc2)c3	6.2
51688-32-5	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)N(CC)CC	3
51688-73-4	O=C(Nc1ccc(cc1CC)Br)C	2.27
51707-42-7	O=C(NN)Nc1cccc(c1)Cl	0.83
51740-69-3	O=C1OCC(=C1)C6CCC7(O)(C8CCC5CC(OC4OC(C)C(OC3OC(C)C(OC2OC(C)C(OC)C(O)C2)C(O)C3)C(O)C4)CCC5(C)C8(CC(OC(=O)C)C67(C)))	2.87
51753-57-2	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Cl))Br	3.3
51754-90-6	O=P(N(C)C)(N(C)C)N(CC)CC	0.66
51803-78-2	O=[N+]([O-])c2ccc(NS(=O)(=O)C)c(Oc1ccccc1)c2	2.6
51892-26-3	O(c1ccccc1)c2ccc(cc2Cl)Cl	4.93
51908-16-8	c2c(c1cc(c(cc1Cl)Cl)Cl)c(c(cc2Cl)Cl)Cl	7.12
51939-71-0	O=C(O)C2Oc1ccccc1CC2	1.9
51940-44-4	O=C(O)C1=CN(c2nc(ncc2(C1(=O)))N3CCNCC3)CC	-2.15
51963-47-4	O=C(NNC(C)C)C(Oc1ccccc1)C	1.39
51963-48-5	O=C(NNC(C)C)COc1ccccc1Cl	1.82
51963-49-6	O=C(NNC(C)C)COc1cccc(c1)Cl	1.91
51963-50-9	O=C(NNC(C)C)C(Oc1ccccc1Cl)C	2
51963-51-0	O=C(NNC(C)C)C(Oc1cccc(c1)Cl)C	2.18
51963-52-1	O=C(NNC(C)C)C(Oc1ccc(cc1)Cl)C	2.14
51963-53-2	O=C(NNC(C)C)C(Oc1ccccc1)(C)C	1.88
51994-35-5	O=C(O)CCCC(=O)c1ccc(cc1)c2ccccc2	3.35
52019-05-3	O=NN(C(=O)NC1C(O)COC(OC)C1(O))C	-1.08
52019-10-0	O=NN(C(=O)NC1C(O)C(OC)OC(CO)C1(O))C	-1.14
52019-60-0	O=C(NNC(C)C)COc1ccccc1	1.24
52049-26-0	O=NN(C(=O)NC1CCC(O)CC1)CCCl	1.06
52067-44-4	O=P(OC)(NC(C)(C)C)SC	0.96
52067-48-8	O=P(OC)(NCC)SC	0.07
52067-49-9	O=P(OC)(NCCCC)SC	0.94
52067-50-2	O=P(OC)(NC(C)CC)SC	0.95
52067-51-3	O=P(OC)(NCC(C)C)SC	0.97
52067-52-4	O=P(OC)(NCCCCCC)SC	1.11
52092-59-8	Oc1c(OC)c(OC)c(O)c(OC)c1(OC)	0.39
52093-77-3	O=C(NNCC)COc1ccccc1	1
52093-78-4	O=C(NNCc1ccccc1)COc2ccccc2	2.16
52093-79-5	O=C(NNC(c1ccccc1)C)COc2ccccc2	2.46
52102-38-2	O=C(NC)NS(=O)(=O)c1ccccc1	0.44
52102-41-7	O=C(NC(C)(C)C)NS(=O)(=O)c1ccccc1	1.95
52102-43-9	O=C(NC)NS(=O)(=O)c1ccc(cc1)Cl	1.16
52113-78-7	O=C(OCC(C)C)N(C)C	2
52121-41-2	O=C(Nc1ccc(c(c1)CC)Br)C	3.33
52128-35-5	n1c(nc2ccc(c(c2(c1N))C)CNc3cc(OC)c(OC)c(OC)c3)N	2.55
52189-36-3	O=C(OC)c1cccc(c1)NC(=O)C	1.46
52190-69-9	O=C(NNC(N)=S)c1ccc2OCOc2(c1)	0.21
52222-71-6	n1cc(c[nH]1)CCCCC	2.96
52237-19-1	O=C(O)CC(c1ccc(F)cc1)CN	-1.6
52248-39-2	O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2c(cccc2Cl)Cl)C3S(=O)C4(C)(C)	2.57
52251-71-5	c1ccc2cc3cc(ccc3(cc2(c1)))CC	5.85
52298-71-2	OCCN(c1nc(nc(n1)N(C)C)N(C)C)C	1.96
52303-69-2	O=C(OC(C)C)C(C(=O)OC(C)C)=C1SCCS1(=O)	1.6
52315-07-8	N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3	6.04
52320-85-1	O=NN(C(=O)NC(C(=O)O)CCC(=O)O)CCCl	0.6
52320-87-3	O=NN(C(=O)NC(C(=O)O)(C)C)CCCl	1.74
52320-88-4	O=NN(C(=O)NC1(C(=O)O)(CCCC1))CCCl	2.01
52322-80-2	O(c1ccccc1)c2cc(c(cc2Cl)Cl)Cl	5.44
52329-50-7	O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccc(O)cc1)Cc2ccccc2	0.54
52386-94-4	O=C(O)CNC(=O)c1cccc(c1)I	1.88
52387-57-2	O=C(NCNCC)c1ccccc1	0.56
52387-58-3	O=C(NCNCC(C)C)c1ccccc1	1.73
52398-34-2	C12(=C(CCCCCC1)SSC2=S)	3.75
52416-13-4	N(=NN(C)C)c1ccccc1SC	3.13
52416-14-5	N(=NN(C)C)c1cccc(c1)SC	2.98
52468-60-7	Fc1ccc(cc1)C(c2ccc(F)cc2)N4CCN(CC=Cc3ccccc3)CC4	5.78
52485-79-7	Oc7ccc6c2c7(OC3C1(OC)(CCC4(CC1(C(O)(C)C(C)(C)C))(C(N(CCC234)CC5CC5)C6)))	4.98
52514-89-3	C1=C(CC)SSC1=S	2.31
52642-50-9	O=C(OCC(C)(C)CC)N	1.45
52643-52-4	Oc1ccc(O)c(OC)c1(OC)	0.61
52645-53-1	O=C(OCc2cccc(Oc1ccccc1)c2)C3C(C=C(Cl)Cl)C3(C)(C)	6.5
52661-38-8	O=C2N=C(N)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.09
52661-42-4	O=C2N=C(NC(=O)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.03
52661-43-5	O=C2N=C(N(C(=O)C)C)SC2(=Cc1oc(cc1)[N+](=O)[O-])	1.05
52661-45-7	O=C2N=C(SC2(=Cc1oc(cc1)[N+](=O)[O-]))SC	1.41
52661-48-0	O=C2C=C(c1oc(cc1)[N+](=O)[O-])SC(=O)N2	0.55
52661-53-7	O=C1N=C(NC)SC(=C1)c2oc(cc2)[N+](=O)[O-]	0.86
52661-54-8	O=C1N=C(NC(=O)C)SC(=C1)c2oc(cc2)[N+](=O)[O-]	1.01
52661-55-9	O=C1N=C(N(C)C)SC(=C1)c2oc(cc2)[N+](=O)[O-]	0.55
52661-66-2	O=C(N=C2N(C(=O)C(=Cc1oc(cc1)[N+](=O)[O-])S2)C)C	1.21
52661-68-4	O=C(N=C2N(C(=O)C(=Cc1oc(cc1)[N+](=O)[O-])S2)CCC)C	1.17
52661-71-9	O=C2C(=Cc1oc(cc1)[N+](=O)[O-])SC(=O)N2CCC	2.4
52662-76-7	O=C(NN)NC1CCCCC1	0.15
52663-59-9	c1ccc(c(c1)c2ccc(c(c2Cl)Cl)Cl)Cl	6.11
52663-61-3	c1cc(c(cc1Cl)c2cc(cc(c2Cl)Cl)Cl)Cl	6.79
52663-66-8	c1cc(c(c(c1c2cc(cc(c2Cl)Cl)Cl)Cl)Cl)Cl	7.39
52663-72-6	c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	7.5
52663-77-1	c2c(c(c(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c(c2Cl)Cl)Cl)Cl	8.16
52704-70-8	c2cc(c1c(c(cc(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl	7.25
52712-04-6	c1cc(c(cc1Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl	7.19
52712-05-7	c1cc(c(cc1Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl	7.93
52744-13-5	c2cc(c(c(c1cc(cc(c1Cl)Cl)Cl)c2Cl)Cl)Cl	7.15
52780-43-5	Oc1ccc(cc1)CCCCCCCCCCCCC	8.2
52806-53-8	O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(O)(C)C	2.7
52819-99-5	[N-]=[N+]=CC(=O)NCC(=O)NCCO	-1.35
52829-30-8	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2(F)))Cl)CC(O)CO	1.51
52838-38-7	n1nc(oc1N)CCCC	0.65
52838-39-8	n1nc(oc1N)C	-0.92
52845-72-4	c1ccc3c(c1)C(=CCCN(C)C)c2cccc(c2CC3)Cl	5.55
52888-80-9	O=C(N(CCC)CCC)SCc1ccccc1	4.65
52918-63-5	N#CC(OC(=O)C1C(C=C(Br)Br)C1(C)(C))c3cccc(Oc2ccccc2)c3	6.2
52945-16-1	O=C(OCN1C(=O)C2=C(C1(=O))CCCC2)C	1.15
52980-49-1	O=C(c2ccccc2(OS(=O)(=O)c1ccc(cc1)C))N(C)C	2.01
53112-28-0	n1c(nc(cc1C)C)Nc2ccccc2	2.84
53179-12-7	O=C2Nc1cc(ccc1N2C5CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC5)Cl	7.1
53207-52-6	O=C2c1ccccc1N(C)CC2(C)C	2.72
53207-61-7	O=C1NCCN1c2oc(cc2)[N+](=O)[O-]	0.25
53207-62-8	O=[N+]([O-])c1oc(cc1)N2C(NCC2)=S	0.98
53207-63-9	O=[N+]([O-])c1oc(cc1)N2C(=NCC2)SC	1.19
53207-64-0	O=C(C=Cc1ncc([N+](=O)[O-])s1)NC(C)C	1.76
53285-95-3	O=C(Nc1ccccc1(F))N(C(=O)NC)C	2.12
53309-89-0	NC(Cc1ccccc1)CC	2.28
53316-92-0	O=C(Nc1cccc(c1)Br)CN2CCCCC2	3.62
53369-17-8	OCC1CCC2CC1C2(C)(C)	3.41
53393-06-9	N(C(NCCCCCC)=S)C	2.31
53409-75-9	O=[N+]([O-])c2cnc(C=Cc1ncncc1)n2C	0.85
53439-65-9	O=P(N(C)C)(N1CCCC1)N2CCCC2	1.88
53446-96-1	OC2c1ccccc1C3CCCCC3(C2(O))	2.27
53447-04-4	O=C(OC2c1ccccc1C3CCCCC3(C2(OC(=O)N)))N	2.25
53550-91-7	NC(c1ccc(cc1)SC)=S	2.01
53555-63-8	c2cc1c(cc(c(c1Cl)Cl)Cl)c(c2)Cl	5.77
53555-64-9	c2c1c(cc(cc1Cl)Cl)c(cc2Cl)Cl	6.19
53583-79-2	O=C(NCC1N(CC)CCC1)c2cc(ccc2(OC))S(=O)(=O)CC	1.06
53596-19-3	O=C(O)C=COc1ccc(cc1Cl)Cl	3.46
53643-53-1	O=CNC=Cc1ccc(OC)cc1	1.94
53660-20-1	c1ccc(cc1)CC(NC)Cc2ccccc2	3.8
53670-99-8	O=C(NCCNCC(O)COc1ccccc1)Cc2ccccc2	0.63
53673-10-2	O=C(NCCN)c1ccccc1(OC)	0
53675-52-8	c1ccc(cc1)[Sn]c2ccccc2	1.9
53780-34-0	O=C(Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C)C	2.02
53808-87-0	n1cc(c(nc1N)N)Cc2cc(OC)c(OCCOC)c(OC)c2	0.56
53861-64-6	OC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	2.54
53916-74-8	O=[N+]([O-])C=Cc1cocc1	1.41
53943-59-2	O=C1NC(=O)C(C(=O)N1)(C)C(C)C	0.54
53951-84-1	O=C(OC)c1cnc2ccccc2(c1)	2.25
53966-34-0	O=C2c1cc(ccc1N(O)C4=C2C(=O)CC(c3ccc(cc3)C(F)(F)F)C4)Cl	3.46
54013-07-9	n1cc(ncc1OC)N	0.63
54015-45-1	O=C(N)c1nc(OCC)cnc1	0.61
54063-32-0	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)CCl)C4(C)(CC(=O)C23(F)))(C)	2.61
54108-51-9	O=S(=O)(c2cccc1ccccc12)C	1.74
54135-80-7	O(c1ccc(c(c1Cl)Cl)Cl)C	3.74
54135-82-9	O(c1cc(c(c(c1)Cl)Cl)Cl)C	4.22
54143-55-4	O=C(NCC1NCCCC1)c2cc(OCC(F)(F)F)ccc2(OCC(F)(F)F)	3.78
54266-28-3	O=C(Oc1ccc(cc1)C(=O)CC)NC	1.55
54266-44-3	O=C(ON=C1COCS1)NC	0.06
54266-46-5	O=C(ON=C1C(OCS1)C)NC	0.46
54266-55-6	O=C(ON=C1COCCS1)NC	0
54266-80-7	O=C(ON=C1C(OCS1)CCC)NC	1.52
54266-83-0	O=C(ON=C1C(OCS1)C(C)C)NC	1.48
54266-84-1	O=C(ON=C1C(OCS1)CCOC)NC	0.51
54267-24-2	O=[N+]([O-])c1ccc(OP(=O)(OC)NC)cc1	1.27
54335-82-9	O=Cc1cccc(OC(=O)NC)c1	0.92
54335-83-0	O=Cc1ccc(OC(=O)NC)cc1	0.99
54340-62-4	OC(c2oc1c(cccc1CC)c2)CNC(C)(C)C	3.5
54387-29-0	O=[N+]([O-])c1cnc(n1C)CN2CCN(C)CC2	-0.32
54394-78-4	O=C(Nc1ccccc1)C(C)CC	2.56
54466-88-5	O=C(O)CSc2c[nH]c1ccccc12	1.78
54504-62-0	O=C1C(=CN=C2N1C(C)CCC2)C	0.82
54593-83-8	O(CC)P(OCC)(OC(C(Cl)(Cl)Cl)Cl)=S	4.59
54606-23-4	O=C(N)C1=CN=C2N(C1(=O))CCCC2	-0.38
54606-24-5	O=C1C(=CN=C2N1CCCC2)C	0.12
54620-68-7	O=C1C=C(OC=C1(O))COC	-0.62
54680-35-2	O=NN(C(=O)Nc1ccccc1)CC	2.25
54704-34-6	NC(C)CC1CCCCC1	2.96
54705-16-7	O=C(N)c1ccccc1SC	0.71
54831-57-1	O=C(N)C(NC(=O)C)Cc1nc[nH]c1	-1.7
54850-02-1	O=C(Nc1ccc(F)cc1)c2cc(cc(c2(O))Cl)Cl	4.76
54850-42-9	O=C(OCc1ccc(cc1)C)N	1.76
54855-60-6	O=C1N=C(C=CN1)NCCSCc2[nH]cnc2C	-0.4
54855-69-5	O=C1C=CC=C(N1)NCCSCc2[nH]cnc2C	0.79
54855-70-8	O=C1C=CNC(=C1)NCCSCc2[nH]cnc2C	0.8
54855-72-0	O=S2(=O)(N=C(NCCSCc1[nH]cnc1C)NCC2)	-0.74
54855-84-4	O=C1N=C(NC=C1)NCCSCc2[nH]cnc2C	0.02
54870-28-9	O=C(O)c1ccc(cc1)CCNC(=O)c2cc(ccc2(OC))Cl	3.4
54910-89-3	FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2	4.05
54922-60-0	O=C(NNC(C)C)COc1cccc(c1)C	1.77
54922-61-1	O=C(NNC(C)C)COc1ccc(cc1)C	1.81
54922-62-2	O=C(NNC(C)C)COc1ccc(OC)cc1	1.21
54922-63-3	O=C(NNC(C)C)C(Oc1ccc(cc1)Cl)(C)C	2.56
54922-64-4	O=C(NNC(C)C)C(Oc1cccc(c1)C)C	1.88
54922-65-5	O=C(NNCC)COc1ccc(cc1)Cl	1.73
54922-68-8	O=C(NNCc1ccccc1)COc2ccc(cc2)Cl	2.92
55040-03-4	c1ccc(cc1)C3(N2CCCCC2)(CCC(C)CC3)	5.66
55049-18-8	O=C(O)CN1CCCCC1	-1.05
55079-83-9	O=C(O)C=C(C=CC=C(C=Cc1c(cc(OC)c(c1C)C)C)C)C	6.4
55084-16-7	O=C(OC(C)C)C(C(=O)OC(C)C)=C(SC)SC	3.38
55147-64-3	O=C1OCC(=C1)C4C(OC(=O)C)CC5(O)(C6CCC3CC(OC2OC(C(=O)C(OC)C2)C)CCC3(C)C6(CCC45(C)))	1.65
55179-31-2	OC(C(Oc1ccc(cc1)c2ccccc2)n3ncnc3)C(C)(C)C	4.16
55205-89-5	O=C(Nc1cc(c(O)c(c1)CC)CC)C	1.87
55215-18-4	c2cc(c1cc(c(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl	7.32
55219-65-3	OC(C(Oc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C	3.09
55236-14-1	O=C(NCCN(CC)CC)c1cc(F)ccc1(OC)	2.62
55265-51-5	FC1C(C(C(C(C1Br)Cl)Cl)Cl)Cl	3.28
55265-69-5	C1(C(C(C(C(C1Cl)Br)Cl)Br)Cl)Cl	3.98
55268-75-2	O=C(O)C3=C(COC(=O)N)CSC2N3(C(=O)C2(NC(=O)C(=NOC)c1occc1))	-0.16
55283-68-6	O=[N+]([O-])c1cc(cc(c1N(CC(=C)C)CC)[N+](=O)[O-])C(F)(F)F	5.11
55290-64-7	O=S1(=O)(C(=C(C)S(=O)(=O)CC1)C)	-0.17
55298-45-8	C1(C(C(C(C(C1Cl)Br)Br)Cl)Cl)Cl	3.94
55321-98-7	O=C(N)c1c(cccc1C)C	0.9
55344-28-0	c1ccc2c(c1)[nH]c3c2CC4N(C3)CCNC4	0.36
55379-70-9	O=C(Oc1ccccc1C(C)CC)N(C)C	3.31
55379-71-0	O=C(Oc1ccccc1)N2CCCC2	2.73
55380-34-2	O=NN1CC(N(N=O)C(C)C1)C	0.08
55390-39-1	O=C(O)C4N3C(=O)C(NC(=O)c1c(noc1C)c2ccccc2Cl)C3S(=O)C4(C)(C)	2
55469-64-2	O=S(=O)(N)c1ccc(N=NN(C)C)cc1	1.06
55486-68-5	C1(=C(C)SSC1=S)CC	2.94
55538-69-7	O(c1ccccc1)c2ccc(c(c2)Cl)Cl	4.99
55556-85-9	O=NN1CCCC(O)C1	-0.47
55556-86-0	O=NN1C(C)CCC1C	0.86
55556-88-2	O=NN1CC(N(N=O)CC1C)C	0.15
55556-91-7	O=NN1CCC(=O)CC1	-0.47
55556-92-8	O=NN1CC=CCC1	1.18
55556-93-9	O=NN1CCC(O)CC1	-0.89
55556-94-0	O=NN1CCN(N=O)C(C)C1	-0.28
55557-00-1	O=NN1CCN(N=O)CCC1	-0.51
55565-48-5	O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)O)C(C)C)Cc2ccccc2	2.88
55653-03-7	N#CC(C#N)=NNc1ccccc1Cl	3.12
55653-08-2	N#CC(C#N)=NNc1ccccc1C	2.38
55653-13-9	N#CC(C#N)=NNc1ccccc1[N+](=O)[O-]	2.9
55653-16-2	N#CC(C#N)=NNc1ccc(cc1)C(=O)C	2.1
55685-55-7	O=C(c1ccc(cc1)[N+](=O)[O-])N(N)c2ccccc2	2.48
55685-56-8	O=C(c1ccc(OC)cc1)N(N)c2ccccc2	2.83
55687-40-6	O=C(OC)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	0.95
55687-46-2	O=C(OC(C)C)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	1.72
55687-48-4	O=C(OCC)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	1.25
55687-49-5	OCc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	0.42
55687-53-1	O=C(OCC)c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N	2.28
55687-56-4	OC(c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N)(C)C	2.46
55687-57-5	O=C(N)c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	-0.85
55687-58-6	N#Cc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	1.39
55687-72-4	O=C(c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N)CS(=O)(=O)C	0.79
55687-73-5	O=C(c1c(OCC)cc(cc1(OCC))Cc2cnc(nc2(N))N)C	2.04
55687-74-6	O=C(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)CS(=O)(=O)C	-0.31
55687-76-8	O=C(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)C	1.1
55687-86-0	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)COC	1.19
55687-91-7	OC(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)(C)C	1.49
55702-45-9	c1ccc(cc1)c2c(ccc(c2Cl)Cl)Cl	5.67
55702-46-0	c1ccc(cc1)c2ccc(c(c2Cl)Cl)Cl	5.86
55720-37-1	c1cc(cc2c1cc(cc2Cl)Cl)Cl	5.35
55720-40-6	c1cc(cc2cc(c(cc12)Cl)Cl)Cl	5.12
55720-43-9	c2cc(c1cc(c(cc1c2Cl)Cl)Cl)Cl	5.81
55720-47-3	O=C(OCc1ccccc1)C(N)Cc2ccc(O)c(O)c2	1.5
55750-53-3	O=C(O)CCCCCN1C(=O)C=CC1(=O)	1.15
55752-22-2	n1oc(nc1c2ccc(cc2)C)C	2.74
55782-76-8	O=CN(C1=C(N)NC(=O)N(C1(=O))C)C	-2.03
55790-22-2	O=C(O)CNC(=O)c1ccc(cc1)I	1.94
55792-16-0	O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCC)	4.97
55792-18-2	O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCCC)	5.29
55792-19-3	O=C(OCCN1CCCCC1)Nc2cccc(OCCCCCC)c2	5.51
55792-20-6	O=C(OCCN1CCCCC1)Nc2ccc(OCCCCCC)cc2	5.41
55792-21-7	O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCCCC)	5.62
55792-22-8	O=C(OCCN1CCCCC1)Nc2cccc(OCCCCCCC)c2	5.53
55792-23-9	O=C(OCCN1CCCCC1)Nc2ccc(OCCCCCCC)cc2	5.87
55792-24-0	O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCCCCCC)	6.36
55792-25-1	O=C(OCCN1CCCCC1)Nc2cccc(OCCCCCCCC)c2	5.82
55806-43-4	O=C2Nc1ccccc1N2C3CCN(CC3)CC(O)C4Oc5ccccc5(OC4)	3.43
55814-41-0	O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C	3.66
55836-71-0	O=C(N)c1ccc(OCC)cc1	1.3
55837-21-3	OCCOCCOCCN3CCC(=C(c1ccccc1)c2ccccc2)CC3	3.78
55837-23-5	Fc1ccc3c(c1)Sc2ccc(cc2C3CCCN4CCN(CCO)CC4)C(F)(F)F	4.47
55837-27-9	O=C(O)c2cc(c(Oc1ccccc1)c(c2)S(=O)(=O)N)N3CCCC3	3.92
55863-26-8	O=C(O)Cc1ccc3c(c1)C(=O)c2ccccc2CS3	2.97
55884-23-6	O=[N+]([O-])C=C(NC)NCCSCc1[nH]cnc1C	-0.4
55905-53-8	O=C(NC2CCN(Cc1ccccc1)CC2)c3cc(c(N)cc3(OC))Cl	3.58
55948-94-2	O=C(OCCN1CCCCC1)Nc2ccc(OCCCCCCCC)cc2	6.44
55994-21-3	O=C3c1ccccc1C(=O)C3(c2ccc(cc2)C(C)C)	4.43
55994-22-4	O=C3c1ccccc1C(=O)C3(c2ccc(cc2)CCCCCCCC)	6.93
55994-23-5	O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)CC)CC)	4.94
55994-24-6	O=C3c1ccccc1C(=O)C3(c2cc(cc(c2)C(C)C)C(C)C)	5.96
56030-54-7	O=C(N(c1ccccc1)C3(COC)(CCN(CCc2cccs2)CC3))CC	3.95
56046-08-3	O(C)C1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	3.33
56046-09-4	CSC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	3.8
56058-99-2	O=C1NC=C(F)C(=O)N1C(=O)CC	0.19
56066-19-4	n1cc(c(nc1N)N)Cc2cc(OC)c(N)c(OC)c2	0.83
56066-43-4	n1cc(c(nc1N)N)Cc2cc(OCC)c(N)c(OCC)c2	1.69
56066-63-8	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)N(C)C	1.51
56070-15-6	O=P(OCC)(OCC)SCS(=O)(=O)C(C)(C)C	2.76
56070-16-7	O=S(=O)(CSP(OCC)(OCC)=S)C(C)(C)C	2.48
56086-55-6	FC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	3.19
56108-12-4	O=C(N)c1ccc(cc1)C(C)(C)C	2.51
56165-57-2	O=S(CSP(=O)(OCC)OCC)C(C)(C)C	2.66
56177-33-4	O=C(N)c1ccccc1C(C)C	1.39
56183-32-5	n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)Br	1.88
56189-70-9	O=C(NC(=N)N)Nc1ccc(c(c1)C)Cl	2.19
56209-30-4	O=C1NC(=O)C2(C(=O)N1)(CCCC2)	0.24
56245-60-4	OCC1OC(C(O)C(O)C1(O))SCC	-1.51
56323-43-4	O=NN(C(=O)NC1CCCCC1(O))CCCl	1.55
56343-48-7	n1cc(nc(c1)C)N(C)C	1.57
56344-90-2	O=C1NC(=O)C(C(=O)N1C)(CC)CCC	1.65
56348-72-2	O(c1ccc(c(c1)Cl)Cl)c2ccc(c(c2)Cl)Cl	6.36
56356-13-9	O=C(Oc1ccccc1C)c2ccc(N)cc2(O)	3.14
56356-14-0	O=C(Oc1cccc(c1)C)c2ccc(N)cc2(O)	3.64
56356-15-1	O=C(Oc1ccc(cc1)C)c2ccc(N)cc2(O)	3.38
56356-16-2	O=C(Oc1c(cccc1C)C)c2ccc(N)cc2(O)	3.88
56356-17-3	O=C(Oc1ccccc1(OC))c2ccc(N)cc2(O)	2.88
56356-18-4	O=C(Oc1cccc(OC)c1)c2ccc(N)cc2(O)	3.25
56356-19-5	O=C(Oc1ccc(cc1)C(C)C)c2ccc(N)cc2(O)	4.12
56356-20-8	O=C(Oc1ccccc1C(C)C)c2ccc(N)cc2(O)	4.28
56356-23-1	O=C(Oc1cccc(N)c1)c2ccc(N)cc2(O)	2.08
56356-24-2	O=C(Oc1ccc(N)cc1)c2ccc(N)cc2(O)	2.04
56356-25-3	O=C(Oc1ccccc1(F))c2ccc(N)cc2(O)	3.29
56356-26-4	O=C(Oc1cccc(F)c1)c2ccc(N)cc2(O)	3.42
56356-27-5	O=C(Oc1ccc(F)cc1)c2ccc(N)cc2(O)	3.27
56356-28-6	O=C(Oc1ccccc1Cl)c2ccc(N)cc2(O)	3.72
56356-29-7	O=C(Oc1cccc(c1)Cl)c2ccc(N)cc2(O)	3.9
56356-30-0	O=C(Oc1ccc(cc1)Cl)c2ccc(N)cc2(O)	3.6
56356-31-1	O=C(Oc1ccccc1Br)c2ccc(N)cc2(O)	3.74
56356-32-2	O=C(Oc1cccc(c1)Br)c2ccc(N)cc2(O)	3.84
56356-33-3	O=C(Oc1ccc(cc1)Br)c2ccc(N)cc2(O)	3.46
56356-34-4	O=C(Oc1cccc(c1)C(F)(F)F)c2ccc(N)cc2(O)	3.61
56400-11-4	FC(F)(F)COC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	4.15
56400-12-5	O(C)C1C(OC)C(C(C(C1Cl)Cl)Cl)Cl	2.69
56400-36-3	O(C)C1C(C(C(OC)C(C1Cl)Cl)Cl)Cl	3.15
56400-43-2	OCC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	2.94
56406-50-9	O=[N+]([O-])c1cccc(c1)C(=N)N	0.72
56421-32-0	O(CC)C1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	3.83
56421-36-4	FC(F)(F)C1(OC)(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)	4.06
56421-44-4	CC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl	4.04
56421-45-5	CC1C(C(C(C)C(C1Cl)Cl)Cl)Cl	4.4
56423-63-3	n1ccnc(c1)Br	0.93
56425-91-3	FC(F)(F)Oc1ccc(cc1)C(O)(c2cncnc2)C(C)C	3.34
56462-00-1	c1cc(c(NC)c(c1)Cl)Cl	2.91
56488-61-0	O=C(NCC2N(Cc1ccc(F)cc1)CCC2)c3cc(ccc3(OC))S(=O)(=O)N	2.46
56514-55-7	N(c1cc(ccc1Cl)Cl)=C2NCCN2	2.04
56518-41-3	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)Br	2.01
56518-45-7	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)Cl	1.87
56518-58-2	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)I	2.4
56534-03-3	C1(=C(C3(C(=C(C2CC1C3(C2Cl))Cl)Cl)Cl)Cl)Cl	5.62
56563-17-8	O=C1NC(=O)N(C=C1(F))C(=O)Nc2ccccc2	1.5
56563-18-9	O=C1NC(=O)N(C=C1(F))C(=O)NC	-0.2
56610-79-8	n1nc(n(n1)C)SCc2ccccc2	1.63
56656-96-3	N#CC(C#N)=Cc1oc(cc1)Br	2.16
56656-97-4	N#CC(=Cc1oc(cc1)Br)C(=O)OC	2.41
56689-42-0	O=CCC2CC(C(=O)C=CC(=CC(C)C(OC(=O)CC(O)C(C)C2(OC1OC(C)CC(N(C)C)C1(O)))CC)C)C	2.49
56689-45-3	O=CCC3CC(C)C(O)C=CC=CCC(OC(=O)CC(OC(=O)C)C(OC)C3(OC2OC(C)C(OC1OC(C)C(OC(=O)CC(C)C)C(O)(C)C1)C(N(C)C)C2(O)))C	2.39
56711-06-9	O=C(N)C(NC(=O)C)C(C)CC	-0.03
56844-20-3	n2cnc1c(ccs1)c2NC	1.43
56846-39-0	O=[N+]([O-])c3ccc(OC2OC(CO)C(OC1OC(CO)C(O)C(O)C1(O))C(O)C2(O))cc3	-1.39
56875-80-0	O=C3N(c1ccc(cc1C(c2ccccc2)=[N+]([O-])C3)Cl)CCO	0.82
56875-82-2	O=C(OCCN3C(=O)C(N=C(c1ccccc1)c2cc(ccc23)Cl)OC(=O)C)C	2.74
56875-83-3	O=C(OCCCN3C(=O)C(N=C(c1ccccc1)c2cc(ccc23)Cl)OC(=O)C)C	3.08
56933-31-4	O(C)C1CC(C(C(C1Cl)Cl)Cl)Cl	2.99
56933-60-9	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)COC(=O)CCC)C4(C)(CC(O)C23(F)))(C)	3.55
56961-20-7	Oc1cc(c(c(c1(O))Cl)Cl)Cl	3.71
56980-93-9	O=C(Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C)N(CC)CC	1.92
56994-25-3	C1=CC(C(C(C1)Cl)Cl)Cl	2.84
57018-04-9	O(c1c(cc(cc1Cl)C)Cl)P(OC)(OC)=S	4.56
57025-76-0	O=C(OC)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2Cl	5.04
57057-83-7	Oc1cc(c(c(c1(OC))Cl)Cl)Cl	3.77
57078-98-5	O=C(O)CCCN1C(=O)C=CC1(=O)	0.4
57078-99-6	O=C(O)CCCCN1C(=O)C=CC1(=O)	0.6
57079-00-2	O=C(O)CCCCCCCN1C(=O)C=CC1(=O)	1.99
57079-05-7	O=C(OCC)CCN1C(=O)C=CC1(=O)	0.41
57079-07-9	O=C(OCC)CCCCCN1C(=O)C=CC1(=O)	1.5
57117-31-4	o2c1cc(c(cc1c3cc(c(c(c23)Cl)Cl)Cl)Cl)Cl	6.92
57117-37-0	o2c1cc(c(cc1c3cc(cc(c23)Cl)Cl)Cl)Cl	6.73
57117-38-1	o2c1c(cc(cc1Cl)Cl)c3ccc(c(c23)Cl)Cl	6.25
57117-39-2	o2c1cc(c(cc1c3ccc(c(c23)Cl)Cl)Cl)Cl	6.31
57117-41-6	o2c1cc(c(cc1c3c2cc(c(c3Cl)Cl)Cl)Cl)Cl	6.79
57117-42-7	o2c1cc(c(c(c1c3ccc(c(c23)Cl)Cl)Cl)Cl)Cl	6.26
57237-97-5	O=S(c1nc2ccccc2([nH]1))Cc3ncccc3	1.33
57315-37-4	n1nc(OC)c2ccccc2(c1OC)	2.22
57334-34-6	Oc2ccc(O)c1c2(nccc1C)	1.59
57334-35-7	Oc1ccc(OC)c2cccnc12	2.06
57334-36-8	Oc2cccc1c2(nccc1Cl)	2.67
57334-38-0	Oc2ccc(OC)c1c2(nccc1C)	2.75
57369-32-1	O=C3N2c1c(cccc1CC2)CC3	1.57
57381-26-7	n1c(nc(nc1N)c2cc(ccc2Cl)Cl)N	1.97
57381-35-8	Fc2ccc(cc2(c1nc(nc(n1)N)N))Cl	1.81
57381-38-1	n1c(nc(nc1N)c2cc(ccc2Br)Cl)N	1.85
57381-40-5	Fc1ccc(c(c1)c2nc(nc(n2)N)N)Br	1.45
57381-42-7	n1c(nc(nc1N)c2cc(ccc2Br)Br)N	2.09
57381-45-0	n1c(nc(nc1N)c2cc(ccc2Cl)Br)N	2.04
57381-46-1	n1c(nc(nc1N)c2ccc(cc2Cl)Cl)N	2.07
57381-50-7	n1c(nc(nc1N)c2ccc(cc2Br)Cl)N	2.09
57381-54-1	n1c(nc(nc1N)c2c(cccc2Cl)Cl)N	1.38
57381-57-4	Fc1ccc(c(c1)c2nc(nc(n2)N)N)Cl	1.38
57381-60-9	Fc2ccc(cc2(c1nc(nc(n1)N)N))Br	1.94
57421-72-4	O=C(NN)NCCC	-1.1
57421-73-5	O=C(NN)NCC=C	-1.55
57440-16-1	O=C(OCCN(C(=O)C)C)c1ccccc1	1.24
57453-98-2	O=C(OCCOC)c1ccccc1	1.78
57524-89-7	O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCC	3.79
57531-37-0	O=[N+]([O-])c1nc([nH]c1)Cl	0.66
57541-72-7	O=NN1CCC(C(C1)Cl)Cl	1.04
57541-73-8	O=NN1CCC(C(C1)Br)Br	1.23
57553-97-6	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCO	0.18
57553-99-8	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CC=C	1.34
57554-04-8	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN2CCCCC2	1.6
57554-05-9	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN2CCOCC2	1.29
57562-99-9	O=C1NC(=O)C(C(=O)N1C)(CC)C(C)CCC	2.45
57646-30-7	O=C(OC)C(N(C(=O)c1occc1)c2c(cccc2C)C)C	2.61
57683-71-3	O=C(OC)c1ccccc1S(=O)(=O)N	0.01
57700-94-4	O=C(c1ccc(OC)cc1)N2CCCCC2	2.4
57721-93-4	O(c1ccccc1(OCCOCCOC))CCOCCOC	0.76
57721-95-6	O(c1ccccc1(OCCOCCOCCOC))CCOCCOCCOC	0.38
57722-15-3	C1(=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl	4.33
57773-19-0	O=C1C(=CN=C2C=CC=C(N12)C)CC	1.79
57775-29-8	OC(COc2cccc3[nH]c1ccccc1c23)CNC(C)C	3.59
57837-19-1	O=C(OC)C(N(C(=O)COC)c1c(cccc1C)C)C	1.68
57913-60-7	O=C2C(c1ccccc1)=C(C)SS2	2.93
57930-20-8	O=C(NN)NC(C)C	-1.3
57998-68-2	O=C(OCC)NC=1C(=O)C(=C(NC(=O)OCC)C(=O)C=1N2CC2)N3CC3	-0.02
58171-47-4	FC(F)(F)CNCC	0.74
58175-07-8	O=C2C(=O)N(c1ccccc1N2C)C	0.08
58182-63-1	O=C(O)C(=C)CC(=O)c1ccc(cc1)c2ccccc2Cl	3.32
58202-83-8	O=C(N)c1ccc(cc1)NC(=O)C	0.01
58202-84-9	N#Cc1cccc(c1)NC(=O)C	1.2
58247-23-7	O=C(NC(=N)N)Nc1ccc(OC)cc1	0.56
58247-24-8	O=C(NC(=N)N)Nc1ccc(cc1)Cl	1.78
58247-25-9	N#Cc1ccc(cc1(OC))NC(=O)NC(=N)N	1.28
58283-42-4	c1ccc(cc1)C3(N2CCCCC2)(CCCC(C)C3)	5.86
58333-58-7	O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)C(O)c2ccccc2))	0.85
58414-52-1	O=C(OC)Cc1ccsc1	1.46
58479-86-0	O=C(Nc1ccc(cc1)Br)CN2CCCCC2	3.57
58479-87-1	O=C(Nc1ccc(cc1)I)CN2CCCCC2	3.9
58479-88-2	O=C(Nc1ccccc1(F))CN2CCCCC2	2.16
58479-89-3	O=C(Nc1ccccc1Br)CN2CCCCC2	2.94
58479-90-6	O=C(Nc1cccc(F)c1)CN2CCCCC2	2.85
58479-91-7	O=C(Nc1cccc(c1)I)CN2CCCCC2	3.92
58479-93-9	O=C(Nc1ccc(OC)cc1)CN2CCCCC2	2.52
58480-99-2	O=C(NN)c1ccnc(c1)CC(C)C	1.02
58481-00-8	O=C(NN)c1ccnc(OCC)c1	0.48
58481-01-9	O=C(NN)c1ccnc(N)c1	-0.98
58481-02-0	O=C(NN)c1ccnc(c1)NC(=O)C	-1.25
58481-03-1	O=C(NN)c1ccnc(c1)CNC(=O)C	-1.58
58481-04-2	O=C(NN)c1ccnc(c1)Cl	0.11
58481-05-3	O=C(NN)c1ccnc(c1)[N+](=O)[O-]	-0.76
58481-06-4	O=C(NN)c1ccnc(c1)c2ccccc2	1.36
58481-07-5	O=C(NN)c1ccnc(c1)Cc2ccccc2	1.01
58484-09-6	O=NN(C(=O)NC1C(O)CCCC1(O))CCCl	0.16
58484-10-9	O=NN(C(=O)NC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))CCCl	1.04
58654-67-4	O=C(C)CCC(C)CCC	2.92
58667-63-3	O=C(O)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C	2.9
58708-45-5	O=C(NC(C)C)c1cc(cc(c1(O))C)Br	4.19
58708-46-6	O=C(NC1CC1)c2cc(cc(c2(O))C)Br	3.8
58708-52-4	O=C(NCC)c1cc(cc(c1(O))C)Cl	3.55
58714-54-8	O=C2N(c1cccc(c1)Br)C(=O)CC2	1.09
58734-57-9	O=S(=O)(N)c1cccc(OC)c1	0.53
58742-04-4	NC3CC2c1ccccc1C3(C2)	2.05
58742-05-5	c1ccc2c(c1)C3CC(NC)C2C3	2.4
58802-15-6	o2c1cc(c(cc1c3c2c(cc(c3Cl)Cl)Cl)Cl)Cl	6.26
58802-20-3	o2c1ccc(c(c1c3cc(c(cc23)Cl)Cl)Cl)Cl	6.23
58810-48-3	O=C1OCCC1N(C(=O)CCl)c2c(cccc2C)C	1.39
58814-67-8	n1ccccc1c2ncc3ccccc3(c2)	3.05
58845-59-3	O=NN(C(=O)NC1OCC(OC(=O)C)C(OC(=O)C)C1(OC(=O)C))CCCl	1.05
58863-14-2	c1c2c(c(c(c1Cl)Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl	8.2
58889-08-0	N#CCCOc1cccc2ccccc12	2.8
58907-81-6	O=C2c3ccccc3(C(=O)C(NC(=O)C)=C2(Nc1ccccc1))	1.73
58910-96-6	c2c(cc(c3[nH]c1c(cc(cc1Cl)Cl)c23)Cl)Cl	5.75
58942-03-3	O=C1NC(=O)C(N1)CC(C)C	0.35
59039-21-3	O(c1ccc(cc1)Cl)c2ccc(cc2Cl)Cl	5.53
59040-30-1	O=C1N(N=C(C)C1)CCOc2ccc3ccccc3(c2)	2.74
59082-52-9	n1ccc(cc1)CCCCCN	1.4
59082-57-4	n1ccccc1CCCCCN	1.32
59094-49-4	O=C1C=C(C(=O)c2ccccc12)SCCCC	3.29
59094-50-7	O=C1C=C(NCCCC)C(=O)c2ccccc12	3.11
59170-23-9	OC(COc1cccc(c1)C)CNCCc2ccc(OC)c(OC)c2	3
59177-47-8	O=[N+]([O-])c1c(ncn1C)Br	0.77
59277-86-0	OCCOCn2cnc1c(nc(nc12)N)N	-1.06
59280-70-5	O=C(Nc1ccc(cc1(F))Cl)C	1.91
59291-64-4	c1cc(c(c(c1c2c(cc(cc2Cl)Cl)Cl)Cl)Cl)Cl	7.25
59291-65-5	c1c(cc(c(c1Cl)Cl)Cl)c2c(cc(cc2Cl)Cl)Cl	7.25
59303-10-5	n1cc(ncc1C)Cl	1.08
59303-19-4	O=C(OCCC)c1cccs1	3.01
59338-93-1	O=C(NCC1N(CC=C)CCC1)c2cc3[nH]nnc3(cc2(OC))	1.79
59359-46-5	O=C(Nc1c(cccc1C)C)C(N)CC	0.84
59365-60-5	OCC(O)c1ccccc1Cl	1.17
59414-37-8	O=NN(C(=O)NC1CCCCC1(OC(=O)C))CCCl	1.96
59465-40-6	N(c1cc(c(cc1Cl)Cl)Cl)=C2NCCN2	2.11
59465-51-9	N(=C1NCCN1)c2c(cc(cc2Cl)Cl)Cl	2.18
59481-28-6	n1cc(c(nc1N)N)Cc2cccc(OC)c2	1.54
59521-86-7	O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)CSc1cc(ccc1Cl)Cl))	1.66
59660-23-0	O=[N+]([O-])N=C(NC)NCCSCc1[nH]cnc1C	0.18
59669-26-0	O=C(ON=C(C)SC)N(C)SN(C(=O)ON=C(C)SC)C	1.7
59708-19-9	O=C(N)c1ccc(N=NN(C)CC)cc1	1.69
59708-20-2	O=C(N)c1ccc(N=NN(C)CCO)cc1	0.26
59708-21-3	O=C(N)c1ccc(N=NN(C)CCCC)cc1	2.46
59708-22-4	O=C(N)c1ccc(N=NN(C)CCCCC)cc1	3.18
59708-23-5	O=C(N)c1ccc(N=NN(C)C(C)C)cc1	2.02
59708-24-6	O=C(N)c2ccc(N=NN(C)Cc1ccccc1)cc2	2.76
59708-25-7	O=C(N)c1ccc(N=NN(C)C(C)(C)C)cc1	2.61
59729-31-6	O=C(N(c1ccc(cc1)Cl)C2CCN(CC2)C(C)C)Cc3ccccc3	4.85
59729-37-2	O=[N+]([O-])c1cnc(n1C)COc2ccc(cc2)SC	2.5
59756-60-4	O=C1C(=CN(C=C1c2cccc(c2)C(F)(F)F)C)c3ccccc3	3.16
59772-33-7	Fc2cccc(F)c2(N=C1NCCN1)	0.93
59772-37-1	Fc2cccc(c2(N=C1NCCN1))Cl	1.45
59777-58-1	O=C(OCCC)c1ccc(cc1)S(=O)(=O)N	1.75
59777-59-2	O=C(OCCCC)c1ccc(cc1)S(=O)(=O)N	2.34
59777-60-5	O=C(OCCCCC)c1ccc(cc1)S(=O)(=O)N	2.71
59777-62-7	O=C(NCC)c1ccc(cc1)S(=O)(=O)N	0.03
59777-63-8	O=C(NCCCC)c1ccc(cc1)S(=O)(=O)N	1.05
59777-64-9	O=C(NCCCCC)c1ccc(cc1)S(=O)(=O)N	1.51
59777-65-0	O=C(NCCCCCC)c1ccc(cc1)S(=O)(=O)N	2.05
59831-65-1	O=C(NCCN3CCC(N2C(=O)Nc1cc(ccc12)Cl)CC3)c4ccc(F)cc4	4.63
59857-86-2	O=C(OC)C1CC(=O)N(C)C1	-0.74
59863-59-1	O=NN1CC(C(C1)Cl)Cl	0.83
59886-40-7	O=C1C(=C(C(=O)C(=C1N2CCN(CCO)CC2)N3CC3)N4CCN(CCO)CC4)N5CC5	-0.77
59886-46-3	O=C1C(=C(C(=O)C(=C1N2CC2)N(C)CCO)N3CC3)N(C)CCO	-0.37
59886-55-4	O=C1C(NCC(O)CO)=C(C(=O)C(NCC(O)CO)=C1N2CC2)N3CC3	-1.97
59887-89-7	O=C1C=COc2cc(O)ccc12	1.44
59897-94-8	O=C(OC)C1C(C=C(Cl)Cl)C1(C)(C)	3.63
59906-37-5	O=C(c1ccsc1)N(C)C	0.55
59906-38-6	O=C(NC)c1ccsc1	0.81
59907-22-1	O=C(Nc1c(cccc1C)[N+](=O)[O-])C	0.61
59917-58-7	O=C(NCN(C)C)c1ccccc1	0.63
59937-28-9	O=C(OC(C)C)C(C(=O)OC(C)C)=C1SC=CS1	3.75
60003-46-5	O=C(O)Cc1ccc(OCCCCCC)cc1	3.96
60010-81-3	O=C(Nc1n[nH]c(n1)NC(=O)C)C	-1.02
60035-83-8	O=C(Nc1ccccc1)NC(CO)(CO)CO	0.43
60047-17-8	OC(C)(C)C1OC(C=C)(C)CC1	2.43
60050-38-6	O=C2N(c1cccc(c1)C(F)(F)F)C(=O)CC2	1.26
60067-82-5	O(C)C1C(OC)C(C(C(C1(OC))Cl)Cl)Cl	1.87
60067-85-8	O(C)C1C(C(C(C(C1SC)Cl)Cl)Cl)Cl	3.3
60067-92-7	C1C(C(CC(C1Cl)Cl)Cl)Cl	2.82
60084-10-8	O=C(N)c2nc(C1OC(CO)C(O)C1(O))sc2	-1.73
60123-64-0	O(c1ccc(cc1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	6.38
60123-65-1	O(c1ccc(c(c1)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	6.6
60141-99-3	[N-]=[N+]=CC(=O)NCC(=O)NCCCCCC	1.51
60142-00-9	[N-]=[N+]=CC(=O)NCC(=O)N1CCOCC1	-0.47
60142-96-3	O=C(O)CC1(CN)(CCCCC1)	-1.1
60145-76-8	O=C(OCC)CN(C(=O)CCl)c1ccccc1CC	2.57
60145-77-9	O=C(OCC)CN(C(=O)CCl)c2ccccc2(c1ccccc1)	3.37
60145-78-0	O=C(OCC)CN(C(=O)CCl)c1ccccc1(OC)	1.78
60145-79-1	O=C(OCC)CN(C(=O)CCl)c1ccccc1(OC(C)C)	2.75
60165-07-3	O=C(NO)NC(C)C	0.2
60166-93-0	O=C(NC(CO)CO)c1c(c(NC(=O)C(O)C)c(c(C(=O)NC(CO)CO)c1I)I)I	-2.42
60168-88-9	OC(c1cncnc1)(c2ccc(cc2)Cl)c3ccccc3Cl	3.6
60174-20-1	O=[N+]([O-])c1cnc(n1CC(O)COC)C	0.04
60207-31-0	n1cnn(c1)CC2(OCCO2)c3ccc(cc3Cl)Cl	2.32
60207-90-1	n1cnn(c1)CC2(OCC(O2)CCC)c3ccc(cc3Cl)Cl	3.72
60207-93-4	n1cnn(c1)CC2(OCC(O2)CC)c3ccc(cc3Cl)Cl	3.1
60211-57-6	OCc1cc(cc(c1)Cl)Cl	2.9
60221-92-3	N=C(Nc1ccc(cc1)Cl)NC(=N)NC	1.58
60331-52-4	OCC3OC(Oc2cc(OC1OC(CO)C(O)C(O)C1(O))c(cc2I)I)C(O)C(O)C3(O)	-0.25
60400-92-2	O=C(O)C=1Oc2c(C(=O)C=1)c(O)c3c(c2CCC)CCCC3	5
60404-04-8	O=C(OCC)C=1C(=O)C(OC=1C)=Cc2ccc(OC)cc2	2.96
60406-79-3	OCC3OC(Oc2ccc(c(OC1OC(CO)C(O)C(O)C1(O))c2I)I)C(O)C(O)C3(O)	-1.31
60423-87-2	O=C(OC1C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)C	3.4
60577-35-7	O=N1C(OCC1(C)(C))(C)C	0.48
60628-92-4	O=[N+]([O-])c1ncc(n1C)C(O)(C)C	0.43
60628-96-8	n1ccn(c1)C(c2ccccc2)c3ccc(cc3)c4ccccc4	4.77
60643-86-9	O=C(O)CCC(N)C=C	-2.16
60693-35-8	O=C2N(c1cccc(F)c1)C(=O)CC2	0.38
60693-37-0	O=C2N(c1ccc(F)cc1)C(=O)CC2	0.29
60708-27-2	O=C(NCCC)c1occc1	1.1
60736-83-6	O=C(O)Cc2ccc(OCc1ccccc1)c(c2)Cl	3.43
60753-14-2	OCCCCc1cnccc1	0.92
60784-43-2	O=NN(C(=O)NCCCCNC(=O)N(N=O)CCCl)CCCl	0.9
60784-46-5	O=NN(C(=O)NCCO)CCCl	0.3
60784-70-5	O=C1NC(=O)C(C(=O)N1)(CC)CCCCCCC	2.91
60828-33-3	O=C(N)C(NC(=O)C)C(O)C	-1.57
60834-63-1	OCc1ccc(cc1)CCCC	3
60835-75-8	O=C(O)c1ccc2OCCOCCOCCOCCOCCOc2(c1)	-0.28
60903-21-1	O=C(OCOC)C4N3C(=O)C(N1C(=O)C(NC1(C)C)c2ccc(O)cc2)C3SC4(C)(C)	0.3
60908-29-4	O=C1NC(=O)N(C=C1(F))C(=O)N(C)C	-0.37
60980-82-7	c1cc(cc(c1)Cl)C2NCCS2	2.04
61019-78-1	N#CC(c1ccccc1)(Cn2cncc2)CCCC	2.94
61137-49-3	O=NN(C(=O)NC1CCC(COC(=O)C)CC1)CCCl	2.24
61151-66-4	O1CCN(CC1c2cccc(c2)Cl)C(C)C	3.27
61192-50-5	O=C2N(C)C(O)(c1cnccc1)CC2	-0.57
61213-25-0	O=C2N(c1cccc(c1)C(F)(F)F)CC(CCl)C2Cl	3.36
61224-32-6	OCc1ccc(N)cc1	-0.22
61251-77-2	O=C1NC=C(F)C(=O)N1C(=O)c2ccccc2	0.8
61257-02-1	O=CCC2CC(C(=O)C=CC(=CC(CO)C(OC(=O)CC(O)C(C)C2(OC1OC(C)C(O)C(N(C)C)C1(O)))CC)C)C	0.99
61328-44-7	O(c1ccc(c(c1)Cl)Cl)c2ccccc2Cl	5.5
61328-45-8	O(c1ccc(cc1)Cl)c2cc(c(cc2Cl)Cl)Cl	5.99
61345-66-2	O=C(N)NC(=O)C(C(C)C)Cl	1
61346-84-7	O=C1NC(=O)C(C(=O)N1C)(CC=C)CC	1.35
61346-87-0	O=C1NC(=O)C(C(=O)N1C)(CC)C(c2ccccc2)C	3.14
61367-70-2	O(c1cc(cc(OC)c1(OC(C)C))CCN)C	1.52
61367-72-4	O(c1cc(cc(OC)c1Br)CCN)C	2.03
61380-40-3	O=C(OC)C3(N(c1ccccc1)C(=O)CC)(CCN(CCc2ccccc2)CC3(C))	4.22
61405-48-9	O=C(OC)c1cc(ccc1[N+](=O)[O-])Sc2ccc(cc2Cl)C(F)(F)F	4.76
61421-89-4	O=C(N)NC(=O)C(CC)(CC)Cl	1.4
61422-45-5	O=C1NC(=O)N(C=C1(F))C(=O)NCCCCCC	2.63
61432-55-1	O=C(N1CCCCC1)SC(c2ccccc2)(C)C	4.02
61444-95-9	ON=Cc1nnc(C)s1	0.78
61444-96-0	ON=Cc1nc(ns1)C	1.29
61453-53-0	n2c(nc(c1ccccc1)c3ccccc23)C	3.1
61477-96-1	O=C(O)C4N3C(=O)C(NC(=O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)c2ccccc2)C3SC4(C)(C)	0.5
61477-97-2	N1=C(N(CC1)C(C)C)CN3c2cc(ccc2SCCCC3)Cl	5.15
61544-20-5	n1cc(c(nc1N)N)Cc2cc(c(c(c2)N(C)C)C)N(C)C	2.06
61544-21-6	O=C(N(c1cc(cc(c1(OC))N(C)C)Cc2cnc(nc2(N))N)C)C	1.01
61544-22-7	n1cc(c(nc1N)N)Cc2cc(c(OC)c(c2)N(C)C)N(C)C	2.05
61544-27-2	n1cc(c(nc1N)N)Cc2cc(cc(c2)NC)NC	0.44
61544-28-3	O=C(N(c1cc(cc(NC)c1C)Cc2cnc(nc2(N))N)C)C	0.53
61554-12-9	O=C1N(c3ccc(cc3(C(=NC1)c2ccccc2))[N+](=O)[O-])CC(O)CO	0.96
61566-63-0	O=C(O)c1ccc(N)cc1(OCCCCC)	2.38
61566-64-1	O=C(O)c1ccc(N)cc1(OCCC(C)C)	2.3
61573-39-5	n1cc(c(nc1N)N)Cc2cc(cc(c2)N(C)C)N(C)C	1.6
61573-40-8	n1cc(c(nc1N)N)Cc2cc(NC)c(OC)c(c2)N(C)C	1.56
61597-27-1	Oc1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))C(C)(C)CCCCCC	9.96
61601-23-8	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2ccccc12)C	2.39
61638-07-1	O(c1cc(c(OC)cc1CC(N)C)SC)C	2.17
61638-09-3	O(c1cc(c(OC)cc1CCN)SC)C	1.81
61655-72-9	n1cc(nc(c1)Cl)N(C)C	1.95
61706-06-7	O=C(c1ccccc1)c2ccc(cc2)NC(=O)N(C)C	2.59
61782-00-1	O=C(OCCCCC)C(C(=O)OCCCCC)=C1SCCS1	5.6
61798-70-7	c2cc(c1c(cc(c(c1Cl)Cl)Cl)Cl)c(c(c2)Cl)Cl	7.25
61820-94-8	O=C(c1ccc(cc1)Cl)CS(=O)(=O)c2ccc(cc2)C	3.43
61820-95-9	O=C(c1ccc(cc1)C)CS(=O)(=O)c2ccc(cc2)C	3.3
61887-92-1	n1c(csc1CCN)c2ccccc2	2.22
62008-55-3	Fc1cccc(c1)C2OCCNC2	1.42
62008-56-4	O1CCNCC1c2cccc(c2)C	1.52
62036-62-8	O=C1C=NN=C(N1(N))SC	0.38
62100-41-8	O=C(Nc1ccc(cc1)Cl)C(O)(C)C	2
62100-54-3	O=C(Nc1ccc(cc1)[N+](=O)[O-])C(O)(C)C	1.61
62100-83-8	O=C1c2ccc(NC(=O)C)c(c2(OC(=C1C)C))[N+](=O)[O-]	1.61
62163-09-1	n1ccnc2c1cccc2Cl	1.75
62171-37-3	Cl[Sn]Cl	-2.47
62174-83-8	n1ccc(cc1)CCCCN	0.86
62178-32-9	OCC1OC(OCCC)C(O)C(O)C1(O)	-1.66
62251-73-4	O=C(NNC(C)C)COc1ccccc1C	1.83
62251-74-5	O=C(NNC(C)C)COc1ccccc1(OC)	1.11
62251-75-6	O=C(NNC(C)C)COc1cccc(OC)c1	1.33
62433-26-5	O=C(c1ccc(cc1)Cl)c2cc(F)ccc2(O)	4.05
62484-15-5	O=C1NC(=O)c2ccc(cc2(N1))C	0.55
62484-16-6	O=C1NC(=O)c2cc(ccc2(N1))C	0.55
62567-44-6	n1nc(OCC)ccc1	0.63
62571-86-2	O=C(O)C1N(C(=O)C(C)CS)CCC1	0.34
62580-80-7	O=[N+]([O-])c1cnc(n1CC(O)CO)C	-0.59
62774-57-6	O=C(NN)Nc1ccc(cc1)C	0.69
62774-58-7	O=C(NN)Nc1ccccc1(OC)	-0.15
62774-59-8	O=C(NN)Nc1ccc(OC)cc1	0.17
62783-49-7	O=NN(C)Cc1cccc(c1)C	1.96
62783-50-0	O=NN(C)Cc1ccc(cc1)C	2.14
62850-32-2	O=C(N(C)C)SCCCCOc1ccccc1	3.28
62924-70-3	O=[N+]([O-])c1cc(cc(c1N(Cc2c(F)cccc2Cl)CC)[N+](=O)[O-])C(F)(F)F	5.45
62937-22-8	O=CNc2cccc1cccnc12	1.8
62973-76-6	O=[N+]([O-])c2cnc(C=Cc1nc(ncc1)N)n2C	0.85
63020-20-2	O=C(Nc1ccc3c(c1)[nH]c2ccccc23)C	3.02
63075-06-9	O=C(OCCCCC)Nc1ccccc1	3.8
63144-76-3	O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCCOCC1)	0.23
63224-18-0	O=C(NCCN(C)C)c1ccccc1	1.1
63253-20-3	O=C(OC(c1ccc(OC)cc1)C(Cl)(Cl)Cl)C	3.72
63346-71-4	N(=C1NCCN1)c2cc(c(OC)cc2(OC))Cl	1.38
63346-72-5	N(=C1NCCN1)c2ccc(cc2(OC))C	1.64
63346-73-6	N(c1ccc(cc1)Br)=C2NCCN2	1.75
63346-74-7	N2=C(Nc1c(cccc1C(C)C)C(C)C)NCC2	3.04
63407-51-2	OCC1OC(C(O)C(O)C1(O))SCCC	-1.18
63407-52-3	OCC1OC(C(O)C(O)C1(O))SCCCC	-0.54
63407-53-4	OCC1OC(C(O)C(O)C1(O))SCc2ccccc2	-0.47
63407-54-5	OCC1OC(C(O)C(O)C1(O))SCCc2ccccc2	-0.1
63472-04-8	O=C(O)C(C)CC(=O)c1ccc(cc1)c2ccccc2	3.4
63474-05-5	OC(COCc1ccccc1)CNC(C)(C)C	1.7
63491-77-0	O=C(NO)NC(C)(C)C	0.5
63553-30-0	O(c1ccc(cc1)Cl)c2c(cc(cc2Cl)Cl)Cl	5.92
63574-83-4	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Br))Cl	3.17
63634-21-9	O=[N+]([O-])c1nc(n(c1)C)Cl	0.19
63646-51-5	O(c1ccc(cc1)Cl)c2ccc(c(c2)Cl)Cl	5.88
63646-55-9	O(c1ccc(cc1)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl	6.41
63655-40-3	N#Cc1ccc2[nH]c(nc2(c1))N	1.13
63659-18-7	OC(COc1ccc(cc1)CCOCC2CC2)CNC(C)C	2.81
63729-98-6	O=C(OC)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C	3
63782-90-1	O=C(OC(C)C)C(N(C(=O)c1ccccc1)c2ccc(F)c(c2)Cl)C	3.69
63837-33-2	O(c1ccccc1)c3ccc(OCC2OC(OC2)CC)cc3	4.35
63893-52-7	n2cnc1c(ccs1)c2N(C)C	1.82
63951-01-9	NC(Cc1ccccc1)CCC	2.79
63968-64-9	O=C4OC1OC2(OOC13(C(CCC(C)C3(CC2))C4C))(C)	2.9
64002-57-9	O=C1OC(c2ccccc12)C(C)C	2.1
64028-99-5	O=C(ON=C(C)SC)N(C)SN(C(=O)OCC)C	1.9
64029-01-2	O=C(ON=C(C)SC)N(C)SN(C(=O)OC(C)(C)C)C	2.8
64055-10-3	O=C(ON=C(C)SC)N(C)SN(C(=O)OC)C	1.4
64098-82-4	O=C1NC(=O)N(C=C1(F))C(=O)NCCCC	1.44
64098-85-7	O=C1NC(=O)N(C=C1(F))C(=O)NCCCCCCCC	3.9
64118-84-9	O=C(O)Cc2ccccc2(Nc1c(cc(O)cc1Cl)Cl)	3.7
64124-14-7	ON(c1nc(nc(n1)N(C)C)N(C)C)C	1.61
64124-20-5	n1c(nc(nc1N(C)CC)N(C)CC)N(C)CC	3.9
64124-21-6	OCN(c1nc(nc(n1)N(C)CO)N(C)CO)C	0.4
64230-41-7	O=C(N)c1cccn1C	0.45
64249-01-0	O=C(N(c1ccc(cc1)Cl)C(C)C)CSP(OC)(OC)=S	3.81
64253-39-0	N#CSO	0.32
64272-13-5	O=C2C=C3C(F)CC1C4CC(C)C(O)(C(=O)COC(=O)C(C)(C)C)C4(C)(CC(O)C1(C3(C=C2Cl)C)Cl)	4.73
64272-18-0	O=C(OC3(C(=O)CO)(C(C)CC2C4CC(F)C1=CC(=O)C(=CC1(C)C4(F)(C(O)CC23(C)))Cl))CC	2.99
64312-78-3	O=C(OCc1ccccc1)C2C(C=C(C)C)C2(C)(C)	5.49
64360-42-5	O=C(O)Cc2ccc(OCc1ccccc1)c(c2)C	3.37
64399-29-7	O=C(N)C1=CN(C2=CCCC(N2(C1(=O)))C)C	0.12
64405-35-2	O=C(OCC)C1=CN=C2N(C1(=O))CC(C)CC2	0.71
64431-77-2	O=C(N)c1c(OC)cccc1[N+](=O)[O-]	-0.26
64462-06-2	N#CN=[N+]([O-])c1cccc(c1)C	2.49
64544-07-6	O=C(OCC3=C(C(=O)OC(OC(=O)C)C)N2C(=O)C(NC(=O)C(=NOC)c1occc1)C2SC3)N	0.89
64560-17-4	o2c1cc(cc(c1c3c2cc(cc3Cl)Cl)Cl)Cl	6.34
64628-44-0	O=C(NC(=O)c1ccccc1Cl)Nc2ccc(OC(F)(F)F)cc2	4.91
64638-08-0	O(c1cc(c(OC)cc1CCC)CC(N)C)C	3.37
64638-09-1	O(c1cc(c(OC)cc1CCCC)CC(N)C)C	4
64638-10-4	O(c1cc(c(OC)cc1CCCCC)CC(N)C)C	4.43
64649-43-0	O=C(OCC(=O)N)c1ccccc1	0.69
64649-57-6	O=C(OCC(=O)NCC)c1ccccc1	1.28
64649-63-4	O=C(OCC(=O)N(CC)CC)c1ccccc1	2.06
64663-59-8	O=C(NC)c1oc2ccccc2(c1)	1.85
64673-04-7	O=Cc1ccc(OCCO)c(OC)c1	0.58
64674-86-8	O=C(OCC)C=C2NC(=O)C(N1CCCCC1)S2	2.34
64691-86-7	N#CC(C#N)=NNc1ccc(cc1C)[N+](=O)[O-]	3.55
64691-87-8	N#CC(C#N)=NNc1ccc(cc1[N+](=O)[O-])C	2.5
64693-23-8	O=C1C=CC(=NBr)C=C1	1.12
64694-85-5	O=C(Nc1ccc(c(c1)Cl)Cl)C(F)(F)F	3.9
64778-75-2	O(c1cc(cc(OC)c1(OCCCC))CCN)C	2.32
64778-79-6	O(c1cc(cc(OC)c1Br)CC(N)C)C	2.44
64810-90-8	O=C1NC(=O)C(C(=O)N1)(CC)CCCCCCCC	3.78
64810-91-9	O=C1NC(=O)C(C(=O)N1)(CC)CCCCCCCCC	4
64835-48-9	O=C(Nc1cc(c(c(c1)C)Br)C)C	3.28
64843-83-0	O=C(OCCOCn2cnc1C(=O)NC(=Nc12)N)CCC	-0.08
64889-77-6	O=C1NC(=O)C(C(=O)N1C)(CC=C)CC(=C)Br	1.78
64902-72-3	O=C(Nc1nc(nc(n1)C)OC)NS(=O)(=O)c2ccccc2Cl	2
64980-40-1	OC(COc1ccccc1)CNC(C)(C)C	1.5
65016-34-4	O=C(NCCN(CC)CC)c1ccccc1(OC)	1.98
65016-46-8	N#Cc1cc(C(=O)NCCN(CC)CC)c(OC)cc1(N)	1.94
65052-47-3	FC(F)(F)Sc1cccc(c1)c2nc(nc(n2)N)N	3.2
65052-49-5	n1c(nc(nc1N)c2cccc(c2)SC)N	2.16
65052-50-8	O=S(=O)(c1cccc(c1)c2nc(nc(n2)N)N)C	0.29
65052-53-1	FC(F)(F)c1ccc(c(c1)c2nc(nc(n2)N)N)Cl	2.27
65052-55-3	n1c(nc(nc1N)c2cc(ccc2(OC))Br)N	1.53
65075-00-5	O(c1ccc(cc1)Cl)c2cc(ccc2Cl)Cl	5.66
65075-01-6	O(c1ccc(cc1)Cl)c2ccc(c(c2Cl)Cl)Cl	6.14
65075-02-7	O(c1ccc(c(c1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	7.84
65101-39-5	O=C(NC23(CC1CC(CC(C1)C2)C3))NP(=O)(N4CC4)N5CC5	1.81
65118-48-1	O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccccc1)C(C)C	0.43
65118-51-6	O=C(N)C(NC(=O)CNC(=O)C(NC(=O)C)Cc1ccccc1)CC(C)C	0.6
65225-84-5	O=C(NC)c1nonc1C	0.56
65225-88-9	O=C(Nc1nonc1C)C	0.17
65243-35-8	O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)C(=NOC)c2nc(N)sc2))	1.74
65243-53-0	O=C(OCOC(=O)C(C)(C)C)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)C(=NOC)c1nc(N)sc1))	2.62
65247-10-1	O=C1Nc3ccc(cc3(C(=NC1)c2ccccc2Br))Br	3.3
65247-11-2	O=C1Nc3ccc(cc3(C(=NC1)c2cccc(c2)Br))Br	3.88
65247-12-3	O=C1Nc3ccc(cc3(C(=NC1)c2ccc(cc2)Br))Br	4.04
65247-13-4	O=C1Nc3ccc(cc3(C(=NC1)c2cccc(c2)Cl))Br	3.63
65247-14-5	O=C1Nc3ccc(cc3(C(=NC1)c2ccc(cc2)Cl))Br	3.78
65261-13-4	O=C(c2cccc(Oc1ccccc1)c2)N(C)C	2.57
65261-51-0	O=C(NC(C)C)c2cccc(Oc1cc(ccc1C)C)c2	4.35
65261-99-6	O=C(NC(C)(C)C)c2cccc(Oc1cc(ccc1C)C)c2	4.78
65262-21-7	O=C(NC)c2cccc(Oc1cc(ccc1C)C)c2	3.76
65277-42-1	O=C(N5CCN(c4ccc(OCC1OC(OC1)(c2ccc(cc2Cl)Cl)Cn3cncc3)cc4)CC5)C	4.35
65283-97-8	n1nc(oc1N)C(C)C	0.2
65300-53-0	O=[N+]([O-])c2ccc(OCCN1CCOCC1)cc2	1.54
65329-13-7	O=C1NC(=O)C(C(=O)N1C)(C2=CCCCCC2)CC	2.82
65347-84-4	O=C(OCCN1CCOCC1)Nc2ccccc2(OCCC)	2.78
65347-85-5	O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCC)	3.25
65347-86-6	O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCCC)	3.7
65347-87-7	O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCCCC)	4.24
65347-88-8	O=C(OCCN1CCOCC1)Nc2ccccc2(OCCCCCCC)	4.51
65347-90-2	O=C(OCCN1CCOCC1)Nc2cccc(OCCC)c2	3.04
65347-91-3	O=C(OCCN1CCOCC1)Nc2cccc(OCCCC)c2	3.62
65347-92-4	O=C(OCCN1CCOCC1)Nc2cccc(OCCCCC)c2	4.13
65347-93-5	O=C(OCCN1CCOCC1)Nc2cccc(OCCCCCC)c2	4.73
65347-94-6	O=C(OCCN1CCOCC1)Nc2cccc(OCCCCCCC)c2	5.28
65347-96-8	O=C(OCCN1CCOCC1)Nc2ccc(OCCC)cc2	2.78
65347-97-9	O=C(OCCN1CCOCC1)Nc2ccc(OCCCC)cc2	3.35
65347-98-0	O=C(OCCN1CCOCC1)Nc2ccc(OCCCCCC)cc2	4.51
65347-99-1	O=C(OCCN1CCOCC1)Nc2ccc(OCCCCCCC)cc2	4.96
65348-00-7	O=C(OCCN1CCOCC1)Nc2ccc(OCCCCCCCC)cc2	4.8
65356-76-5	O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccc(O)cc1)CC(C)C	0.32
65374-46-1	O=C(OCCN1CCOCC1)Nc2ccc(OCCCCC)cc2	3.96
65445-59-2	O=NN1CC(C)CC(C)C1	1.53
65446-98-2	O=C(Nc1ccc(cc1)CC)CN2CCCCC2	3.52
65448-74-0	N#Cc1cccc(c1)NC(=O)OC	1.77
65466-50-4	O=C3C=C4C(F)CC2C5CC1OC(OC1(C(=O)CO)C5(C)(CC(O)C2(F)C4(C=C3Cl)C))(C)C	2.99
65490-84-8	O(c1ccc(cc1)C2=C(C(=S)SS2)C)C	4.1
65510-45-4	c1cc(cc(c1c2ccc(c(c2Cl)Cl)Cl)Cl)Cl	6.61
65514-04-7	[O-][n+]1onc(c1Cl)C	0.9
65542-14-5	O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)Cl)cc2	4.85
65542-15-6	O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)[N+](=O)[O-])cc2	4.03
65542-16-7	N#Cc1ccc(cc1)CN(N=Nc2ccc(cc2)C(=O)O)C	3.6
65542-17-8	O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)C)cc2	4.75
65542-18-9	O=C(O)c2ccc(N=NN(C)Cc1ccc(OC)cc1)cc2	4.43
65542-19-0	O=C(O)c2ccc(N=NN(C)Cc1ccc(cc1)NC(=O)C)cc2	3.35
65542-21-4	N#Cc2ccc(N=NN(C)Cc1ccccc1)cc2	3.82
65570-20-9	O(c1ccccc1(NCCCC))C	2.85
65570-49-2	O=C(Nc1cccc(OCC)c1)CN2CCCCC2	3.17
65587-38-4	O=C(O)c2ccc(N=NN(C)Cc1ccccc1)cc2	4.04
65611-47-4	FC(F)(F)CCCCCO	1.64
65754-05-4	O=C1C=CN=C2N1CCCC2	-0.14
65783-69-9	O=C(OCC(=O)N(CC)CC)c1ccccc1(O)	1.99
65873-69-0	n1cc(c(nc1N)N)Cc2ccc(nc2(OC))OC	2.01
65886-71-7	O=C1N=C(N=CN1C2OC(CO)C(O)C2(O))N	-2.17
65902-59-2	O=[N+]([O-])c1nc([nH]c1)Br	0.71
65907-26-8	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OC)C	3
65907-27-9	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OCC)C	3.5
65907-30-4	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OCCCC)C	4.7
65907-54-2	O=C(ON=C(C(=O)N(C)C)SC)N(C)SN(C(=O)OC)C	-0.07
65936-23-4	N(=C1NCCN1)c2c(cc(cc2C)Br)C	2.8
65936-24-5	N(=C1NCCN1)c2c(cc(OC)cc2Cl)Cl	1.6
65936-25-6	N(=C1NCCN1)c2c(cccc2Br)Cl	1.73
65936-26-7	O=[N+]([O-])c2cc(c(N=C1NCCN1)c(c2)Cl)Cl	2.1
65980-97-4	O=C(OC3(C(=O)CO)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CC	2.7
65988-94-5	O=[N+]([O-])c1nccn1CC(O)COCC	0.04
66063-05-6	O=C(Nc1ccccc1)N(Cc2ccc(cc2)Cl)C3CCCC3	4.82
66073-53-8	O=C(N)c1c(cccc1Br)Cl	1
66073-54-9	O=C(N)c1c(F)cccc1Cl	0.49
66079-85-4	n1nc(oc1c2ncccc2)C	0.46
66108-93-8	O=C(NCC(O)CO)c1c(c(C(=O)NCC(O)CO)c(c(c1I)N(C(=O)C)CCO)I)I	-2.47
66108-95-0	O=C(NCC(O)CO)c1c(c(C(=O)NCC(O)CO)c(c(c1I)N(C(=O)C)CC(O)CO)I)I	-3.05
66203-00-7	O=C(Nc2c(OC)c3ccoc3(c(OC)c2(OCCN1CCCC1)))NC	1.38
66283-26-9	O=C1N(C(=O)CCCCCCCCCCC)CCC1	5.05
66308-18-7	O=C(OC)NC2=NCC(c1ccccc1)N2C	1.57
66308-26-7	O=C(OC)NC2=NCC(c1ccccc1(F))N2C	1.53
66308-27-8	O=C(OC)NC2=NCC(c1ccccc1Cl)N2C	2.08
66308-28-9	O=C(OC)NC2=NCC(c1ccc(cc1)Cl)N2C	2.17
66308-35-8	O=C(OCC)NC2=NCC(c1cccc(c1C)C)N2C	2.57
66323-44-2	[N-]=[N+]=NC1CC(OC1(CO))n3cnc2c(ncnc23)N	0.35
66332-96-5	O=C(Nc1cccc(OC(C)C)c1)c2ccccc2C(F)(F)F	3.7
66346-83-6	O=C(N)c1nnc(cc1)Cl	0
66357-35-5	O=[N+]([O-])C=C(NC)NCCSCc1oc(cc1)CN(C)C	0.27
66381-49-5	O=C(ON=C(C)SC)N(C)SN(C(=O)OCCCCCC)C	4.2
66381-51-9	O=C(ON=C(C)SC)N(C)SN(C(=O)OCCCC)CCCC	4.2
66381-55-3	O=C(ON=C(C)SC)N(C)SN(C(=O)OC)CCCC	2.5
66432-03-9	O=CNC=Cc1ccccc1	1.95
66432-08-4	O=CNC=Cc1ccc(OC(=O)C)cc1	1.32
66451-06-7	OC(COc1ccccc1C3CC2CCC3(C2))CNC(C)C	4.17
66469-80-5	O=C(ON=C(C)SC)N(C)SN(C(=O)C1CC1)C	1.7
66480-64-6	n1nn(c2ccccc12)C3CCCC3	2.61
66480-65-7	n1c3ccccc3(nn1C2CCCCC2)	3.63
66516-96-9	N#Cc1ccc(C=CNC=O)cc1	1.62
66521-48-0	O=C(N)Nc1ccc(N=NN(C)C)cc1	1.25
66521-49-1	O=C(N)c1ccc(N=NN(C)CCCCCCCC)cc1	4.7
66536-69-4	n1c3ccccc3(nn1C2CCCC2)	3.04
66536-70-7	n1nn(c2ccccc12)C3CCCCC3	3.11
66542-37-8	O=C(OCN1C=C(F)C(=O)NC1(=O))CCC	0.47
66635-84-5	O=C(c1ccccc1C)c2ccc3n2CCC3(C(=O)O)	2.9
66635-90-3	O=C(O)C3c2ccc(C(=O)c1ccc(F)cc1)n2CC3	2.82
66644-81-3	O=C(NCC1N(CC=C)CCC1)c2cc(cc(OC)c2(OC))S(=O)(=O)N	1.47
66675-75-0	O=C(Nc1c(cccc1C)C)CCN	0.62
66706-98-7	N#CC(C#N)=NNc2ccc(N=Nc1ccccc1)cc2	4.25
66722-44-9	OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C	1.87
66794-60-3	O(c1cccc(c1)Cl)c2ccc(c(c2)Cl)Cl	5.74
66843-01-4	O=C1NC(=O)C(C(=O)N1)(C)CC=C(C)C	1.17
66895-70-3	O=C(Oc1cccc(c1)C)CNC(=O)c2ccccc2	2.72
66974-58-1	N(=NN(C)C)c1ccccc1I	3.5
66974-61-6	OCc1ccccc1(N=NN(C)C)	1.73
66974-73-0	O=C(N)c1ccc(N=NN(C)CC=C)cc1	2.09
66974-76-3	O=C(N)c1ccc(N=NN(OC)C)cc1	1.19
66974-78-5	O=C(N)c1ccc(OC)c(N=NN(C)C)c1	0.44
66974-82-1	N#Cc1cc(C#N)cc(N=NN(C)C)c1	2.18
66974-88-7	O=C(NC)c1ccccc1(N=NN(C)C)	1.83
66974-90-1	N#CCNC(=O)c1ccccc1(N=NN(C)C)	1.79
66974-92-3	N#CNC(=O)c1ccccc1(N=NN(C)C)	0.8
66975-11-9	O=C(N(N=Nc1ccc(cc1)C)C)C	3.23
66975-13-1	O=C(NN)c1ccccc1(N=NN(C)C)	1.28
66999-80-2	O=C(NCCCN(CC)CC)c1ccccc1	1.56
66999-97-1	O=C(Oc1ccccc1)N2C=C(F)C(=O)NC2(=O)	0.64
66999-98-2	O=C(OCc1ccccc1)N2C=C(F)C(=O)NC2(=O)	1.18
66999-99-3	O=C(OCCCCCC)N1C=C(F)C(=O)NC1(=O)	2.04
67003-50-3	O=C(O)c1ccc(cc1)COC	1.76
67023-19-2	O=C(N(c1c(cccc1C)C)CCCN2CCCCC2)Cc3ccccc3	5.28
67027-56-9	O=C1Nc3ccc(cc3(C(=NC1C)c2ccccc2Cl))[N+](=O)[O-]	2.72
67028-19-7	O1c3cccc(c3(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl))Cl	6.3
67051-26-7	O=C1NC(=O)C(C(=O)N1)(CC=C(C)C)C(C)C	2.23
67075-62-1	N#CC=Cc1oc(cc1)[N+](=O)[O-]	1.05
67129-08-2	O=C(N(c1c(cccc1C)C)Cn2nccc2)CCl	2.13
67227-56-9	Oc1ccc(cc1)C3c2cc(O)c(O)c(c2CCNC3)Cl	2.39
67309-36-8	NC(Cc1ccccc1)CCCC	3.36
67309-37-9	NC(Cc1ccccc1)C(C)(C)C	2.91
67309-38-0	NC(Cc1ccccc1)CC(C)C	3.29
67363-72-8	O=[N+]([O-])c1oc(cc1)C=CBr	2.45
67410-39-3	N#CC(=NOP(=O)(OCC)N)c1ccccc1	0.72
67410-45-1	N#CC(=NOP(=O)(OCC)N(C)C)c1ccccc1	3.29
67410-46-2	N#CC(=NOP(=O)(OCC)NC)c1ccc(cc1)Cl	2.5
67410-48-4	N#CC(=NOP(=O)(OCC)NCC)c1ccc(cc1)[N+](=O)[O-]	1.76
67410-49-5	N#CC(=NOP(=O)(OCC)NCC)c1ccc(OC)cc1	2.39
67460-68-8	O=[N+]([O-])c1cc(OC)c(cc1(OC))CC(N)C	1.74
67481-22-5	o2c1c(cc(cc1Cl)Cl)c3cc(c(c(c23)Cl)Cl)Cl	6.59
67517-48-0	o2c1ccc(cc1c3c2c(c(c(c3Cl)Cl)Cl)Cl)Cl	6.79
67523-85-7	O=C(NN(C(=O)c1ccc(cc1)[N+](=O)[O-])C(C)(C)C)c2ccccc2	2.63
67562-39-4	o2c1c(cc(c(c1Cl)Cl)Cl)c3c2c(c(c(c3Cl)Cl)Cl)Cl	7.92
67564-91-4	O1C(C)CN(CC1C)CC(C)Cc2ccc(cc2)C(C)(C)C	4.93
67747-09-5	O=C(n1cncc1)N(CCOc2c(cc(cc2Cl)Cl)Cl)CCC	4.1
67774-11-2	O=C(OCC2OC(n1ccnc1[N+](=O)[O-])C(OC(=O)C)C(OC(=O)C)C2(OC(=O)C))C	0.52
67774-31-6	O=NN1CC(NC(C)C1)C	0.73
67832-97-7	O=C(N)c1ccccc1CC	1.17
67844-27-3	C1CC2CC1CC2Cl	3.35
67845-28-7	n1cc(nc(c1)C)OCCC	2.29
67856-65-9	O=NN(CCOC)CCOC	-0.38
67856-66-0	O=NN(CCOCC)CCOCC	0.79
67888-96-4	c1cc(c(cc1Br)c2cc(c(cc2Br)Br)Br)Br	7.1
67922-26-3	c1cc(cc2c1c(c(c(c2Cl)Cl)Cl)Cl)Cl	7
67950-78-1	O1c2ccccc2(OCCOCCOCCOCCOCCOCC1)	0.57
68019-78-3	O=[N+]([O-])c1[nH]cnc1(OC)	0.13
68085-85-8	N#CC(OC(=O)C1C(C=C(C(F)(F)F)Cl)C1(C)(C))c3cccc(Oc2ccccc2)c3	6.9
68133-69-7	N#CCCN(c3ccc(N=Nc2nc1ccc(cc1s2)[N+](=O)[O-])cc3)CCOC(=O)C	4.08
68157-60-8	O=C(Nc1ccccc1)Nc2ccnc(c2)Cl	3.2
68160-69-0	O=C(OCC(OC(=O)C)Cn1ccnc1[N+](=O)[O-])C	-0.05
68160-70-3	O=[N+]([O-])c1nccn1CCS(=O)(=O)CC	-0.58
68160-71-4	O=[N+]([O-])c1nccn1CC(O)COC=CC	0.28
68162-37-8	O=C(OC)C(=Cc1oc(cc1)[N+](=O)[O-])[N+](=O)[O-]	1.6
68162-38-9	O=C(OC)C(=Cc1oc(cc1)Br)[N+](=O)[O-]	2.74
68284-69-5	O=C(N)C(c1ccccc1Cl)(CCN2CCCCC2)CCN(C(C)C)C(C)C	4.78
68358-79-2	O=C(Nc2ccc(OCCc1ccc(cc1)C)cc2)N(OC)C	3.81
68359-37-5	N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)(C))c3ccc(F)c(Oc2ccccc2)c3	5.95
68367-52-2	O=C1NC(=O)C2(N1)(c3cc(F)ccc3(OCC2))	0.78
68556-59-2	O=C(NCC1N(CCC)CCC1)c2cc(ccc2(OC))S(=O)(=O)N	2.16
68659-48-3	O=C(OCC(=O)NC(=O)C)c1ccccc1	1.24
68661-74-5	O=C(OCOC(=O)C(C)(C)C)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)Cc1cccs1))	1.57
68672-91-3	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OC)CCCC	4.6
68681-75-4	O=C1c5cccc(OC)c5(C(=O)c2c(O)c4c(c(O)c12)CC(O)(C(=O)C)CC4(OC3OC(C)C(O)C(NC(=O)CN(C)C)C3))	1.26
68694-11-1	FC(F)(F)c2cc(ccc2(N=C(n1cncc1)COCCC))Cl	1.4
68709-03-5	O=C(OCC)NN1CC=CCC1	1.09
68776-62-5	N#Cc1cnncc1	-0.63
68840-05-1	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)C)C	2.7
68877-63-4	N#CCCN(c2cc(NC(=O)C)c(N=Nc1c(cc(cc1Br)[N+](=O)[O-])[N+](=O)[O-])cc2(OC))CC=C	5.4
68885-48-3	n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)SC	1.92
68902-57-8	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)SC	1.54
68914-97-6	O(c1ccccc1Cl)c2ccc(cc2Cl)Cl	4.96
68960-60-1	O=C1NC(C1)Sc2ccc(cc2)Cl	2.31
69049-73-6	O=C(O)C=3Oc2c(cc1C(=O)C=C(C(=O)O)N(c1c2CCC)CC)C(=O)C=3	2.22
69141-50-0	O=C(CC(n1ncnc1)C(O)C(C)(C)C)C(C)(C)C	1.95
69148-74-9	O=C(Oc1ccccc1(OC(C)C))N(C)C	2.06
69163-87-7	N(OC)=CCCc1ccccc1	2.14
69194-89-4	O=C(NN)Nc1ccc(cc1)Cl	0.87
69218-42-4	O=C(O)CCCCn2nnc1ccccc12	0.48
69218-44-6	O=C(O)CCCCn1nc2ccccc2(n1)	0.94
69218-46-8	O=C(OCC)Cn2nnc1ccccc12	1.3
69218-47-9	O=C(OCC)CCn2nnc1ccccc12	1.6
69218-48-0	O=C(OCC)CCCn2nnc1ccccc12	1.86
69218-51-5	O=C(OCC)Cn1nc2ccccc2(n1)	1.85
69218-52-6	O=C(OCC)CCn1nc2ccccc2(n1)	2.12
69327-76-0	O=C2N(c1ccccc1)CSC(=NC(C)(C)C)N2C(C)C	4.3
69335-91-7	O=C(O)C(Oc2ccc(Oc1ncc(cc1)C(F)(F)F)cc2)C	3.18
69397-85-9	O=C(NC)CCc2c[nH]c1ccccc12	1.23
69410-51-1	O=C(O)C(NCc1ccccc1)C(C)CC	-0.27
69477-71-0	O=C(Nc1cc(c(O)cc1C)C)C	0.6
69477-72-1	O=C(Nc1cc(c(O)c(c1C)C)C)C	0.82
69513-13-9	O=C(OCC)C(=Cc1oc(cc1)[N+](=O)[O-])C(=O)OCC	2.5
69519-61-5	O=C1NC(=O)C(C(=O)N1C)(CC(=C)Br)C(C)CC	2.43
69527-40-8	N#CC(C#N)=Cc1oc(cc1)I	2.42
69527-41-9	N#CC(=Cc1oc(cc1)I)C(=O)OC	2.85
69530-81-0	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OCC)c2)C(=C)C	2.65
69698-57-3	o2c1c(cc(cc1Cl)Cl)c3c2c(cc(c3Cl)Cl)Cl	6.34
69741-89-5	n1nc(oc1N)CCC	0.23
69741-90-8	n1nc(oc1N)CC(C)C	0.4
69741-91-9	n1nc(oc1N)C(C)CC	0.62
69741-92-0	n1nc(oc1N)C(C)(C)C	0.48
69741-93-1	n1nc(oc1N)CCCCC	1.1
69741-94-2	n1nc(oc1N)CCCCCC	1.43
69806-50-4	O=C(OCCCC)C(Oc2ccc(Oc1ncc(cc1)C(F)(F)F)cc2)C	4.5
69808-71-5	O=C(NC)c1cc2ccccc2([nH]1)	1.9
69808-72-6	O=C(NCC)c1cc2ccccc2([nH]1)	2.32
69810-98-6	O=C(OC)NC1=NCC(N1)c2ccc(cc2)C(C)C	2.6
69811-11-6	O=C(OC)NC1=NCC(N1)c2cccc(F)c2	1.41
69811-19-4	O=C(OC)NC1=NCC(N1)c2ccccc2Br	1.85
69811-22-9	O=C(OC)NC1=NCC(N1)c2cccc(c2)Br	2.09
69852-96-6	O=C(OCCN1CCCCC1)Nc2ccccc2(OCCC)	3.81
69852-97-7	O=C(OCCN1CCCCC1)Nc2ccccc2(OCCCC)	4.37
69922-40-3	O=C(Nc2ccc(OCCc1ccccc1)cc2)N(OC)C	4.5
69945-50-2	n1cc(c(nc1N)N)Cc2ccc(N)cc2	0.22
69945-51-3	n1cc(c(nc1N)N)Cc2ccc(cc2)N(C)C	1.82
69945-58-0	n1cc(c(nc1N)N)Cc2cccc(c2)Cl	2.29
69981-38-0	O=P(N(CC)CC)(N(CC)CC)N1CCCC1	2.39
70026-41-4	O=C1C3=C(N=C2C=CC=CN12)CCC3	1.19
70026-51-6	O=C1C3=C(N=C2C=CC(=CN12)C)CCC3	1.63
70026-79-8	O=C1C3=C(N=C2N1CCCC2)CCC3	0.72
70090-28-7	n1ccnc(OCCC)c1	1.84
70172-32-6	O=C(O)Cc2ccccc2(Nc1cccc(c1Cl)Cl)	4.86
70195-11-8	O=C(NN)C(C)CC	-0.33
70290-53-8	O=C2N(c1ccccc1C)C(=O)CC2	0.29
70381-44-1	O=C1C(=C(N=C2C=CC=C(N12)C)C)CC	1.86
70381-46-3	O=C1C(=C(N=C2N1C(C)CCC2)C)CC	1.43
70413-35-3	O=C1C(=C(N=C2C=CC=C(N12)C)CCC)CC	2.37
70458-92-3	O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCN(C)CC3)CC	0.27
70458-96-7	O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCNCC3)CC	-1.03
70477-14-4	O=C(Nc1cccc(c1)C(C)(C)C)N(OC)C	3.21
70579-34-9	O=C(c1cccc(c1)N2C(=NC(=NC2(C)C)N)N)C	-0.22
70579-43-0	O=C(N)Nc3cccc(OCc1cccc(c1)N2C(=NC(=NC2(C)C)N)N)c3	0.9
70606-63-2	N=1C(=NC(N(C=1N)c2cccc(OCCCC)c2)(C)C)N	2.03
70648-16-7	o2c1cc(ccc1c3c2c(c(cc3Cl)Cl)Cl)Cl	6.23
70648-24-7	o2c1c(ccc(c1c3c2c(cc(c3Cl)Cl)Cl)Cl)Cl	6.59
70657-63-5	O=C(c1ccccc1Cl)N(C(C)C)C(C)C	3
70661-85-7	O=S2(=O)(N=C(N(c1ncccc12)C)C)	-0.05
70661-86-8	O=S2(=O)(N=C(Nc1ncccc12)C)	-0.25
70785-03-4	c1ccc(cc1)C(c2ccc(cc2)C(C)(C)C)CCN(C)C	5.1
70785-06-7	c1ccc(cc1)C(c2ccc(cc2)C(C)(C)C)CCCN(C)C	5.72
70785-07-8	c1ccc(cc1)N(Cc2ccc(cc2)C(C)(C)C)CCN(C)C	5.34
70859-35-7	O=C(Nc2cccc(OCCc1ccccc1)c2)N(C)C	3.39
70866-07-8	O=NN(C(=O)NC1C(O)OC(CO)C(O)C1(O))CCCl	-0.66
70872-82-1	o2c1ccc(c(c1c3c2c(c(cc3Cl)Cl)Cl)Cl)Cl	6.51
70873-69-7	O=C(O)C(N)CC23(CC1CC(CC(C1)C2)C3)	0.43
70934-02-0	O=C1c3c(N=C2N1CCC2)cccc3C	1.59
70959-58-9	N#Cc1cc(cnc1Cl)c2ccncc2	1.74
70959-61-4	N#Cc1cc(cnc1(OC))c2ccncc2	2.02
70965-23-0	O=C(OC)Cn1nc(nc1)[N+](=O)[O-]	-0.38
70999-47-2	O=C(OCC)C1=CN=C2N(C1(=O))CCC(C)C2	0.66
71006-72-9	O=[N+]([O-])c1nccn1CC(O)COC(C)C	0.51
71006-73-0	O=[N+]([O-])c1nccn1CCOC	0.12
71006-74-1	O=[N+]([O-])c1nccn1CCCOc2ccccc2	2.38
71006-75-2	O=C(C)Cn1ccnc1[N+](=O)[O-]	-0.34
71006-76-3	O=[N+]([O-])c1nccn1CCOCC	0.53
71006-77-4	O=[N+]([O-])c1nccn1CCOc2ccccc2	1.89
71006-78-5	O=[N+]([O-])c1nc(n(c1)CC(O)COC)C	-0.36
71006-79-6	O=[N+]([O-])c1nccn1CCS(=O)(=O)C	-1.3
71006-80-9	O=[N+]([O-])c1nccn1CCS(=O)(=O)c2ccccc2	0.52
71048-87-8	O=C(Oc2cc(OC(C)CCCc1ccccc1)cc3NC(C)C4CCC(O)CC4(c23))C	5.72
71059-53-5	O=C(ON=Cc1ccc(cc1)Cl)NC	2.27
71125-73-0	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)SCC	1.79
71125-75-2	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)n3cccc3	1.78
71195-58-9	O=C1N(N=NN1CCN3CCC(N(C(=O)CC)c2ccccc2)(COC)CC3)CC	2.16
71203-60-6	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CC	1.05
71203-61-7	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCC(C)C	2.12
71203-62-8	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCC	1.56
71203-63-9	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CC(O)c2ccccc2	1.65
71203-64-0	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN(C)CCCC	2.05
71203-66-2	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN(CCCC)CCCC	3.55
71225-60-0	O=C(NCCN(CC)CC)c1cc(ccc1(OC))Br	3.2
71225-61-1	O=C(NCCN(CC)CC)c1cc(cc(c1)Cl)Cl	3.77
71283-80-2	O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(o1))Cl)cc3)C	4.58
71295-34-6	O=C1C=C3C(=CC=C1(O))c2c(OC)c(OC)c(OC)cc2CCC3(NC(=O)C(F)(F)F)	1.82
71317-09-4	O=C(NC(=O)C)NCC	-0.01
71324-48-6	O=C1C=CC2=C(C=C1(OC))C(NC(=O)C(F)(F)F)CCc3cc(OC)c(OC)c(OC)c23	2.08
71335-68-7	O=N1C(C)(C)CC(N(C)C)CC1(C)(C)	1.13
71354-31-9	O=C(O)CCCC(=O)c1ccc(OC)c(c1)Cl	2.17
71357-27-2	O(c1cccc(c1)C)[Si]23(OCCN(CCO2)CCO3)	0.15
71422-67-8	O=C(NC(=O)c1c(F)cccc1(F))Nc3cc(c(Oc2ncc(cc2Cl)C(F)(F)F)c(c3)Cl)Cl	5.8
71525-06-9	Oc1cc(cc(OC)c1(O))Cc2cnc(nc2(N))N	-0.31
71548-53-3	O=C(OC)C1CC(=O)N(CCCCCC)C1	2.3
71585-36-9	O(c1ccc(c(c1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	7.01
71585-37-0	O(c1ccc(cc1Cl)Cl)c2ccc(c(c2Cl)Cl)Cl	6.28
71585-39-2	O(c1ccc(c(c1Cl)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl	6.82
71585-40-5	O(c1ccc(c(c1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl	7.28
71626-11-4	O=C(OC)C(N(C(=O)Cc1ccccc1)c2c(cccc2C)C)C	3.4
71669-26-6	O1c3cccc(c3(Oc2c1cc(c(c2Cl)Cl)Cl))Cl	6.39
71675-85-9	O=C(NCC1N(CC)CCC1)c2cc(c(N)cc2(OC))S(=O)(=O)CC	1.1
71759-43-8	O=C(OC)N1C=C(F)C(=O)NC1(=O)	-0.68
71809-37-5	O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1CCN(C)C)CSC3N4(C(=O)C3(NC(=O)Cc2nc(N)sc2))	1.57
71859-30-8	O(c1cc(c(cc1Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	6.72
71879-58-8	O=C(N)CCCc1ccncc1	-0.09
71925-15-0	O1c3ccc(c(c3(Oc2cc(c(c(c12)Cl)Cl)Cl))Cl)Cl	6.74
71925-16-1	O1c3cc(c(c(c3(Oc2cc(cc(c12)Cl)Cl))Cl)Cl)Cl	6.53
71963-77-4	O(C)C3OC1OC2(OOC14(C(CC2)C(C)CCC4(C3(C))))(C)	3.53
71972-66-2	O=C2c3ccccc3(OC(c1ccccc1)=C2C)	3.92
71990-00-6	Oc1ccc3c(c1)C4(CC)(CCN(CC2(O)(CC2))C(C3)C4(C)(C))	3.82
71998-72-6	o2c1cc(cc(c1c3cc(cc(c23)Cl)Cl)Cl)Cl	6.37
72111-57-0	N#Cc1ncc(nc1(C#N))Cl	0.95
72111-58-1	N#Cc1nc(c(nc1(C#N))Cl)CC	1.79
72111-60-5	N#Cc1nc(c(nc1(C#N))Cl)CCCC	2.89
72112-24-4	N#Cc1nc(c(nc1(C#N))CCCC)C	2.3
72115-11-8	O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(O)(C)C(F)(F)F	3.21
72116-69-9	O=C(Nc1cccc(c1)C(=O)C)Cc2ccccc2	2.62
72126-54-6	N#Cc1nc(c(nc1(C#N))Cl)C	1.29
72165-35-6	c1ccc(cc1)C3(N2CCCCC2)(CCC(C)(C)CC3)	6.39
72178-02-0	O=C(NS(=O)(=O)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]	2.9
72189-64-1	N=C(N)NN=C(c1cccs1)C	1.05
72216-45-6	O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCC1)	0.45
72242-01-4	c1ccc(cc1)C3(N2CCCCC2)(CC(C)CC(C)(C)C3)	6.35
72299-07-1	O=C(N1CCCCC1)CC2CCCCC2	3.2
72301-79-2	O=S(=O)(n2c(nc1ccc(cc12)C(=NO)c3ccccc3)N)C(C)C	3.1
72336-12-0	O=C(NC2c3ccccc3(c1ccccc12))CN(CC)CC	3.64
72336-16-4	O=C(NCc1ccccc1)CN(CC)CC	2.14
72336-17-5	O=C(NCc1ccccc1)CN(CCC)CCC	3.11
72336-19-7	O=C(NCc1ccccc1)CN2CCCCC2	2.27
72336-20-0	O=C(NCc1ccccc1)CN2CCOCC2	0.67
72336-22-2	O=C(NC2c3ccccc3(c1ccccc12))CN(CCC)CCC	4.61
72424-02-3	Oc1cccc(c1)CCCCCCCCCCCCC	8.84
72430-63-8	O=C1N(c3ccc(cc3(C(=NC1)c2ccc(OC)cc2))Cl)C	3.15
72490-01-8	O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2	4.3
72509-76-3	O=C(OC)C2=C(NC(=C(C(=O)OCC)C2(c1cccc(c1Cl)Cl))C)C	3.86
72570-99-1	O=C(Nc2ccc3c1ccc(cc1Cc3(c2))[N+](=O)[O-])C	3.08
72586-68-6	O=NN(C(=O)N(c1ccccc1)C)C	1.58
72593-17-0	O=C(NCCN4CCN3Cc2[nH]c1ccccc1c2CC3C4)c5ccccc5[N+](=O)[O-]	1.8
72593-21-6	O=C(NCCN4CCN3Cc2[nH]c1ccccc1c2CC3C4)c5ccccc5	1.52
72601-44-6	O=C1N(C(=O)CC1)c2ccccc2(F)	0.22
72601-45-7	O=C2N(c1ccccc1I)C(=O)CC2	0.8
72601-46-8	O=C2N(c1cccc(c1)I)C(=O)CC2	1.39
72601-47-9	O=C2N(c1cccc(c1)CC)C(=O)CC2	1.04
72601-52-6	O=C(OC)c1cccc(c1)N2C(=O)CCC2(=O)	0.36
72601-54-8	O=C2N(c1ccc(cc1)CC)C(=O)CC2	1.1
72615-27-1	O=C(OC)C(c1ccccc1)C(C)C	3.33
72619-32-0	O=C(OC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C	4.05
72699-09-3	O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)c2cc(cc(c2(O))Br)Br	5.05
72732-50-4	Oc1cc(c(OCCNC)cc1C)C(C)C	2.35
72732-56-0	n1cc(c(c2c1nc(nc2(N))N)C)Cc3cc(OC)ccc3(OC)	2.13
72755-13-6	O=C(OC)Nc1cccc(F)c1	2.21
72775-79-2	n1c(nc(nc1N)c2ccccc2CC)N	1.65
72775-80-5	n1c(nc(nc1N)c2ccccc2(OC))N	0.58
72775-81-6	n1c(nc(nc1N)c2ccccc2(OCC))N	1.03
72775-85-0	O=C2C(NCC(C)C)=C(N(C(=O)N2(c1ccccc1))C)C	1.48
72781-91-0	n1c(nc(nc1N)c2ccccc2I)N	1.41
72836-46-5	O=C(OCCN(CC)CC)C=Cc1ccc(OC)cc1	3.55
72836-47-6	O=C(OCCN(CC)CC)C=Cc1cc(OC)c(OC)c(OC)c1	2.84
72836-48-7	O=C(OCCN(CC)CC)C=Cc1ccc(F)cc1	3.52
72956-09-3	OC(COc2cccc3[nH]c1ccccc1c23)CNCCOc4ccccc4(OC)	4.19
72962-38-0	O=C(N)NC(=O)C1(C(=O)OC(C)C1)(CC=C)	0.28
72999-11-2	O=C(OC)C(=Cc1occc1)[N+](=O)[O-]	1.88
73013-68-0	O=C(c1ccc2ncccc2(c1))C	1.58
73046-15-8	n1cc(c(nc1N)N)Cc2ccc(OC)c(OCC)c2	1.2
73090-06-9	O=C1OC3(c2ccccc12)(CCCC3)	2.56
73090-70-7	n1cc(c(nc1N)N)Cc2cc(OCC)c(c(OCC)c2)n3cccc3	2.89
73159-84-9	O2C3c1ccccc1C2C(N)C3	0.58
73250-68-7	O=C(N(c1ccccc1)C)COc3nc2ccccc2s3	3.23
73258-87-4	O=C(N)c1ccc(OCCCC)cc1	2.48
73264-18-3	n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)C	1.91
73264-19-4	n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)C	2.14
73264-20-7	n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)C(C)C	2.79
73264-21-8	n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)C(C)C	3.14
73264-25-2	n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)Cl	1.87
73275-70-4	n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)Cl	1.65
73334-07-3	O=C(NCC(O)CO)c1c(c(NC(=O)COC)c(c(C(=O)N(C)CC(O)CO)c1I)I)I	-2.05
73356-40-8	Oc1ccc(cc1(OC))Cc2cnc(nc2(N))N	0.64
73384-60-8	O=S(c3ccc(c1nc2ncccc2([nH]1))c(OC)c3)C	1.18
73403-31-3	N#CC(=Cc1oc(cc1)C)C(=O)OC	2.22
73459-03-7	O=C1Oc2c3ccoc3(cc(c2(C=C1))C)	2.41
73469-85-9	O=C(NN)Nc1cccc(OC)c1	0.17
73469-87-1	O=C(NN)Nc1cc(ccc1Cl)Cl	1.07
73469-88-2	O=C(NN)Nc1ccccc1Br	0.66
73469-89-3	O=C(NN)CNc1cccc(c1)Br	0.96
73469-90-6	O=C(NN)Nc1ccc(cc1)I	1.24
73469-91-7	O=C(NN)Nc1cccc(O)c1	-0.5
73469-92-8	O=C(NN)Nc1ccc(O)cc1	-0.55
73469-93-9	O=C(O)c1ccccc1(NC(=O)NN)	-0.49
73469-94-0	O=C(O)c1cccc(c1)NC(=O)NN	-0.16
73469-95-1	O=C(O)c1ccc(cc1)NC(=O)NN	-0.21
73498-01-8	O=S(=O)(Nc1ncc(cn1)C(C)C)c2ccc(N)cc2	1.23
73573-88-3	O=C3OC(CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C)CC(O)C3	3.95
73576-30-4	n1cc(c(nc1N)N)Cc2cc(c(OC)c(c2)C)C	2.19
73590-58-6	O=S(c1nc2cc(OC)ccc2([nH]1))Cc3ncc(c(OC)c3C)C	2.23
73632-76-5	O=C(N)NC(=O)C(C(=O)OCC)(CC)CC	1.45
73632-77-6	O=C(N)NC(=O)C(C(=O)OC(C)C)(CC)CC	1.99
73632-78-7	O=C(N)NC(=O)C(C(=O)OCc1ccccc1)(CC)CC	2.74
73632-79-8	O=C(N)NC(=O)C(C(=O)OCOC)(CC)CC	1
73632-80-1	O=C(N)NC(=O)C(C(=O)OCC(=O)OC)(CC)CC	0.99
73632-81-2	O=C(N)NC(=O)C(C(=O)OC)(c1ccccc1)CC	1.58
73632-82-3	O=C(OC)C(C(=O)NC(=O)N)(CC=C)CC=C	1.37
73632-84-5	O=C(NC(=O)C(C(=O)OC)(C)C1C=CCCC1)NC	1.75
73632-86-7	O=C(NC(=O)C(C(=O)OCOC)(C1=CCCCC1)C)NC	1.8
73655-51-3	O=C(O)c1ccc(N)cc1I	1.65
73930-96-8	O=C(OC)C(C(=O)NC(N)=S)(CC)CC	1.82
73931-96-1	OC(c1ccc(cc1)CCc2ccccc2)Cn3cncc3	3.4
74011-58-8	O=C(O)C1=CN(c2nc(c(F)cc2(C1(=O)))N3CCNCC3)CC	-0.2
74014-51-0	O=CCC3CC(C)C(O)C=CC=CCC(OC(=O)CC(O)C(OC)C3(OC2OC(C)C(OC1OC(C)C(OC(=O)CCC)C(OC(=O)CC)(C)C1)C(N(C)C)C2(O)))C	3.08
74050-98-9	O=C1Nc4ccccc4(C(=O)N1CCN3CCC(C(=O)c2ccc(F)cc2)CC3)	3.29
74051-80-2	O=C1C(=C(O)CC(C1)CC(C)SCC)C(=NOCC)CCC	4.38
74054-79-8	O=C(Nc1ccc(cc1Cl)Cl)C(C=C)C	3.49
74070-46-5	O=[N+]([O-])c2ccc(Oc1ccccc1)c(c2(N))Cl	4.04
74099-07-3	O=C(NN)Nc1ccc(OCC)cc1	0.53
74099-08-4	O=C(NN)Nc2cccc1ccccc12	0.9
74109-81-2	O=C(Nc2cccc(OCc1ccccc1)c2)N(OC)C	3.11
74115-24-5	n1nc(nnc1c2ccccc2Cl)c3ccccc3Cl	3.1
74134-16-0	O=C2c1ccccc1S(=O)(=O)c3cc(ccc23)NC(=O)C	2.35
74134-17-1	O=C2c1ccc(cc1S(=O)(=O)c3ccc(cc23)C)NC(=O)C	2.76
74134-18-2	O=C2c1ccc(cc1S(=O)(=O)c3ccc(cc23)CC)NC(=O)C	3.44
74134-19-3	O=C2c1ccc(cc1S(=O)(=O)c3ccc(cc23)CCC)NC(=O)C	3.51
74141-73-4	O=[N+]([O-])c1nccn1CCS(=O)C	-1.22
74141-74-5	O=C(N(CCO)CCO)Cn1ccnc1[N+](=O)[O-]	-1.64
74141-75-6	O=C(NCC(O)CO)Cn1ccnc1[N+](=O)[O-]	-1.85
74188-69-5	O=[N+]([O-])c2cc[nH]c2(NCCSCc1[nH]cnc1C)	1.04
74211-76-0	O=C3OC4C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C(=O)OC(CC)C4(O3)(C))C	2.92
74222-97-2	O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)C)C	1.2
74223-64-6	O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC	2.2
74253-50-2	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC(=O)N(C)C	2.03
74255-46-2	O=C(NN)NC(C)(C)C	-0.81
74339-86-9	O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)CCl	2.32
74339-88-1	O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)C	2.01
74339-89-2	O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)C(C)Cl	3.02
74350-90-6	O=C(Nc1ccccc1)CN(c2ccccc2)C(=O)C(Cl)Cl	2.96
74385-72-1	O=C(ON=C(C)SC)N(C)SN(C(=O)N(C)C)C	1.2
74385-76-5	O=C(ON=C(C)SC)N(C)SN(C(=O)N(CC)CC)C	3.2
74385-86-7	O=C(ON=C(C)SC)N(C)SN(C(=O)N(C)C)C1CC1	2
74385-89-0	O=C(ON=C(C)SC)N(C)SN(C(=O)N(C(C)C)C(C)C)C	2.6
74399-87-4	O=C(ON=C(C)SC)N(C)SN(C(=O)N(C)C)CCCCCC	3.3
74407-83-3	O=C(OCC)C=COc1ccccc1Cl	3.55
74411-74-8	O=C(NCCO)c1c(c(C(=O)NCCO)c(c(c1I)N(C(=O)C)CC(O)CO)I)I	-1.86
74433-34-4	O=C(Nc1c(cccc1C)C)c2ccc(cc2)CN(CC)CC	3.49
74472-43-8	c1c(cc(cc1Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl	7.1
74472-44-9	c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl	7.2
74472-46-1	c1c(cc(cc1Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl	7.37
74517-78-5	O=C(N)C2(c3ccccc3(c1ccccc12))CCCNC(C)C	3.11
74550-86-0	O=[N+]([O-])c3cnc(C=Cc1ccc2OCOc2(c1))n3CCO	2.03
74550-87-1	O=[N+]([O-])c1cnc(n1C)C2CC2	1
74550-92-8	O=[N+]([O-])c1cnc(n1CC(O)Cn2c(ncc2[N+](=O)[O-])C)C	0.31
74550-94-0	O=[N+]([O-])c1cnc(n1CC(O)CN(CC)CC)C	-0.08
74553-29-0	O=Cc1cc(ccc1Br)Br	3.35
74571-56-5	O=[N+]([O-])c1cncn1CCN2CCN(C)CC2	-0.2
74602-43-0	O=C(Nc1c(cccc1C)C)c2cccc(c2)CN3CCCC3	3.1
74602-46-3	O=C(Nc1c(cccc1C)C)c2ccc(cc2)CN3CCCCC3	3.86
74602-48-5	O=C(Nc1c(cccc1C)C)c2cccc(c2)CN3CCOCC3	2.14
74604-76-5	O=C(O)C(=O)Nc1nc(cs1)c2ccc3OCCOc3(c2)	1.8
74618-18-1	N(=Cc1nc2ccccc2(cc1))NC(=Nc3ccccc3)N	0.99
74633-67-3	n1cc(n(c1)C)CSCCNC(NC)=S	0.32
74708-80-8	O=C(OCOC(=O)C(C)(C)C)C3=CCSC2N3(C(=O)C2(NC(=O)C(=NOC)c1nc(N)sc1))	1.76
74712-19-9	O=C(NC(c1ccccc1)(C)C)C(C(C)(C)C)Br	3.47
74729-54-7	O=NN(C(=O)NC1C(OC(=O)C)OC(C)C(OC(=O)C)C1(OC(=O)C))CCCl	1.32
74731-64-9	O=C(c1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N)N(C)C	-0.21
74731-66-1	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)C(C)C	3.37
74738-17-3	N#Cc1c[nH]cc1c2cccc(c2Cl)Cl	3.86
74746-42-2	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)C	0.23
74746-43-3	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CC	0.71
74746-44-4	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCCCC	2.61
74751-37-4	O=NN(C(=O)NC1C(OC(=O)C)C(OC)OC(COC(=O)C)C1(OC(=O)C))CCCl	0.67
74782-23-3	N#CC(=NOCC1OCCO1)c2ccccc2	2.76
74974-49-5	OCc1ccc(cc1)N(CC)CC	2.29
75032-34-7	O=[N+]([O-])c1ccc(OCCCSC)cc1	3.24
75221-43-1	O=C(O)Cc2ccc(OCC1CCCCC1)c(OC)c2	3.35
75225-51-3	O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)CC)C12)C	4.04
75330-75-5	O=C3OC(CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)CC)C12)C)CC(O)C3	4.26
75333-79-8	O=[N+]([O-])c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)c2ccc(N)cc2	1.84
75338-41-9	O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCN(C)CC3)CC	0.3
75349-23-4	O=C(c1ccccc1)N2CCN(C)CC2	0.35
75389-00-3	[O-][n+]1onc(c1Cc2ccccc2)Cc3ccccc3	3.65
75410-15-0	O=C1NC=C(F)C(=O)N1C(=O)C	-0.34
75459-14-2	Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccccc3)Cn4cncc4	4.23
75584-51-9	O=C(OCC)C(n1nc2ccccc2(n1))C	2.38
75584-60-0	O=C(OCC)C(n2nnc1ccccc12)C	1.87
75680-92-1	O=C(OCC)c1nnc(cc1)Cl	0.12
75695-93-1	O=C(OC)C3=C(NC(=C(C(=O)OC(C)C)C3(c2cccc1nonc12))C)C	4.28
75736-33-3	OC(C(n1ncnc1)Cc2ccc(cc2Cl)Cl)C(C)(C)C	3.8
75773-74-9	O=Nc1ccc(O)c(N)c1	0.03
75808-93-4	O=[N+]([O-])c1cccc(c1)C2NCCS2	1.59
75841-80-4	n1nc(ccc1Nn2c(ccc2CC)CC)N3CCOCC3	2.71
75841-81-5	n1nc(ccc1Nn2c(ccc2C)C)N(CC)CC	2.73
75841-82-6	n1nc(ccc1Nn2c(ccc2C)C)N3CCOCC3	1.94
75841-89-3	n1nc(ccc1Nn2c(ccc2C)C)N3CCCC3	2.45
75841-90-6	n1nc(ccc1Nn2c(ccc2C)C)N3CCCCC3	3.13
75841-91-7	n1nc(ccc1Nn2c(ccc2C)C)N3CCN(C)CC3	1.94
75841-93-9	n1nc(ccc1Nn2c(ccc2C)C)N3CCNCC3	1.44
75841-94-0	OCCN(c1nnc(cc1)Nn2c(ccc2C)C)CCO	1.06
75841-95-1	OCCN(c1nnc(cc1)Nn2c(ccc2C)C)CC(O)C	1.3
75841-97-3	OC(C)CN(c1nnc(cc1)Nn2c(ccc2C)C)CC(O)C	1.55
75841-98-4	OC3CCN(c1nnc(cc1)Nn2c(ccc2C)C)CC3	1.7
75841-99-5	n1nc(ccc1N(n2c(ccc2C)C)C)N3CCOCC3	2.21
75842-02-3	n1nc(ccc1Nn2c(ccc2C)C)N(CCOC)CCOC	2.06
75842-04-5	n1nc(ccc1Nn2c(ccc2C)C)N(C)CCOC	2.16
75842-06-7	n1nc(ccc1Nn2c(ccc2C)C)N(C)C	2.18
75851-96-6	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCS(=O)C	-0.67
75851-97-7	O=C(N)CCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C	-0.56
75851-98-8	O=C(NCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C)C	-0.35
75851-99-9	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCO	-0.26
75852-01-6	N#CCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C	-0.17
75852-03-8	O=C(OCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C)C	0.26
75852-04-9	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CC[N+](=O)[O-]	0.3
75852-05-0	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCOC	0.33
75852-08-3	N#CSCCC(=O)N(c1ccc(cc1)S(=O)(=O)N(C)C)C	0.84
75852-09-4	O=C(OCC)CCC(=O)N(c1cccc(c1)S(=O)(=O)N(C)C)C	0.84
75852-11-8	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCl	0.98
75852-12-9	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCSC	0.99
75852-13-0	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCBr	1.13
75852-14-1	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCC	1.19
75852-15-2	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCOCCC	1.26
75852-16-3	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCI	1.39
75852-17-4	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCC	1.63
75852-19-6	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCCCC	2.16
75881-16-2	O=NN1CCOCC1C	-0.03
75883-07-7	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(O)(C(=O)COC(=O)CC)C4(C)(CC(O)C23(F)))(C)	3.06
75887-54-6	O1OC34(C2OC(OCC)C(C)C4(CCC(C)C3(CCC1(O2)C)))	3.89
75887-63-7	O=C(Oc1ccccc1)OC4OC2OC3(OOC25(C(CC3)C(C)CCC5(C4(C))))(C)	4.41
75889-44-0	n1cc(c(nc1N)N)Cc2cc3OCOc3(cc2C)	1.89
75889-62-2	O=P(OCC)(OCC)Cc1ccc(cc1)c3nc2ccccc2s3	3.5
75912-69-5	O=[N+]([O-])c2ccc(OCCn1cncc1)cc2	1.69
75922-48-4	O=C2c1[nH]c(nc1N(C(=O)N2CC)CC)c3ccccc3	2.93
75994-55-7	O=C(O)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)Cc1ccccc1))	0.2
76016-68-7	O=[N+]([O-])c1nonc1c2ccccc2	2.63
76252-06-7	O=C(c1cnccc1)N3c2c(OCC(O)CNC(C)C)cccc2CCC3	1.63
76343-98-1	O=C(O)COc1ccccc1C(C)CC	3.32
76350-23-7	O=C(NC(CO)CO)c1c(c(NC(=O)C)c(c(C(=O)NC(CO)CO)c1I)I)I	-2.27
76352-13-1	O=C(NC3CC2N(Cc1ccccc1)C(CC2)C3)c4cccc(OC)c4(OC)	3.24
76432-30-9	O=C(OCSC)c1ccccc1(OC(=O)C)	1.94
76432-33-2	O=C(OCS(=O)C)c1ccccc1(OC(=O)C)	0.11
76432-35-4	O=C(OCS(=O)(=O)C)c1ccccc1(OC(=O)C)	0.57
76529-47-0	O=[N+]([O-])c1c(ncn1C)I	1.29
76529-48-1	O=[N+]([O-])c1[nH]cnc1I	0.28
76542-53-5	N#CC(C#N)=Cc1oc(cc1)SC	2.45
76542-54-6	N#CC(=Cc1oc(cc1)SC)C(=O)OC	2.61
76547-98-3	O=C(O)C(NC(C(=O)N1CCCC1(C(=O)O))CCCCN)CCc2ccccc2	-1.22
76578-14-8	O=C(OCC)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C	4.28
76674-21-0	Fc1ccc(cc1)C(O)(c2ccccc2(F))Cn3ncnc3	2.29
76738-62-0	OC(C(n1ncnc1)Cc2ccc(cc2)Cl)C(C)(C)C	3.2
76824-35-6	O=S(=O)(N=C(N)CCSCc1nc(N=C(N)N)sc1)N	-0.64
76875-80-4	O=C(OCCN1CCCCC1)Nc2ccccc2(OC)	2.71
76875-81-5	O=C(OCCN1CCCCC1)Nc2cccc(OC)c2	2.92
77068-02-1	O=C(Nc1ccc(cc1C)Cl)c2cc(F)ccc2(O)	4.89
77068-04-3	O=C(Nc1ccc(cc1C)Br)c2cc(F)ccc2(O)	5.15
77269-58-0	O=C(O)Cc2ccc(OCCc1ccccc1)c(c2)Cl	3.53
77269-59-1	O=C(O)Cc2ccc(OCCCc1ccccc1)c(c2)Cl	3.9
77298-35-2	N#CCCCCOC(=O)c1ccccc1	2.04
77303-19-6	n1cccc2nc([nH]c12)c3ccc(OC)cc3(OC)	2.57
77314-58-0	n1ccc(cc1NCCC)c2nc(n[nH]2)N	1.61
77314-59-1	n1ccc(cc1NCCCCCC)c2nc(n[nH]2)N	3.3
77314-60-4	n1ccc(cc1NCCCCCCCCCC)c2nc(n[nH]2)N	4.07
77314-61-5	n1nc([nH]c1)c2ccnc(c2)NCC=C	1.26
77314-62-6	OCCNc1nccc(c1)c2nc(n[nH]2)N	0.24
77314-64-8	n1ccc(cc1NCCOC)c2nc(n[nH]2)N	0.94
77314-69-3	n1ccc(cc1NCCc2ccccc2)c3nc(n[nH]3)N	2.63
77314-73-9	n1ccc(cc1NCc2ccc(cc2)C)c3nc(n[nH]3)N	2.69
77314-75-1	n1ccc(cc1N)c2nc(n[nH]2)N	0.11
77314-76-2	n1ccc(cc1NC)c2nc(n[nH]2)N	0.69
77314-77-3	n1ccc(cc1NCC)c2nc(n[nH]2)N	1.13
77314-79-5	n1ccc(cc1NCCCC)c2nc(n[nH]2)N	2.15
77317-64-7	O=C1NC(=C(C(=O)N1(O))Br)C	-1.12
77317-65-8	O=C1NC(=C(C(=O)N1(OC))Br)C	-0.3
77317-66-9	O=C1NC(=C(C(=O)N1(OCC))Br)C	0.11
77317-67-0	O=C1NC(=C(C(=O)N1(OCCCl))Br)C	0.3
77317-68-1	O=C1NC(=C(C(=O)N1(OCCC))Br)C	0.76
77317-69-2	O=C1NC(=C(C(=O)N1(OC(C)C))Br)C	0.45
77317-70-5	O=C1NC(=C(C(=O)N1(OCC=C))Br)C	0.32
77317-71-6	O=C1NC(=C(C(=O)N1(OCC#C))Br)C	-0.1
77317-72-7	O=C1NC(=C(C(=O)N1(OCCCC))Br)C	1.24
77317-73-8	O=C1NC(=C(C(=O)N1(OC(C)CC))Br)C	1.11
77317-74-9	O=C1NC(=C(C(=O)N1(OCC(C)C))Br)C	1.23
77317-75-0	O=C1NC(=C(C(=O)N1(OCCCCC))Br)C	1.69
77317-76-1	O=C1NC(=C(C(=O)N1(OCCCCCC))Br)C	2.48
77317-78-3	O=C1NC(=C(C(=O)N1(OCCCCCCCC))Br)C	3.39
77317-79-4	O=C1NC(=C(C(=O)N1(OCCCCCCCCCC))Br)C	4.65
77317-85-2	O=C1C=C(NC(=O)N1(OCCC))C	0.3
77317-86-3	N#CSC=1C(=O)N(OCCC)C(=O)NC=1C	-0.22
77317-87-4	O=C1NC(=C(C(=O)N1(OCCC))Br)CCC	1.73
77317-88-5	O=C1C(=C(N(C(=O)N1(OCCC))C)C)Br	0.72
77453-35-1	OC(c1c(OC)cc(cc1(OCC))Cc2cnc(nc2(N))N)(C)C	2.11
77456-53-2	O=S(c3ccc(c1nc2ncncc2([nH]1))c(OC)c3)C	0.53
77458-01-6	O=P(Oc1cnn(c1)c2ccc(cc2)Cl)(OCC)SCCC	3.77
77470-84-9	O=C(Nc1c(cccc1C)C)CCCCCCN(CC)CC	3.48
77470-88-3	O=C(Nc1c(cccc1C)C)CCCC(N)C	1.41
77470-99-6	O=C(Nc1c(cccc1C)C)CCCC(N(CC)CC)C	2.64
77471-00-2	O=C(Nc1c(cccc1C)C)CC(N(CC)CC)C	2.63
77501-63-4	O=C(OC(C(=O)OCC)C)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]	4.81
77501-90-7	O=C(OCC(=O)OCC)c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]	3.65
77580-78-0	n1onc(c1C)CCC	1.71
77666-53-6	O=[N+]([O-])c1nonc1C	0.97
77732-09-3	O=C1OCCN1N(C(=O)COC)c2c(cccc2C)C	0.8
77812-86-3	O=S(=O)(c1ccc(cc1)NC)N(C)C	1.43
77812-87-4	O=CN(c1ccc(cc1)S(=O)(=O)N(C)C)C	0.4
77812-88-5	O=C(N(c1ccc(cc1)S(=O)(=O)N(C)C)C)CCC#C	0.88
77963-50-9	O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCCOCCOCC1)	0.03
78025-68-0	n1cc(c(nc1N)N)Cc2cc(OC)c(OCC)c(OC)c2	1.34
78026-01-4	n1cc(c(nc1N)N)Cc2cc(OC)c(c(OC)c2)CC	2.72
78090-11-6	O=C(OC)c1cc2[nH]c(nc2(cc1C))S(=O)Cc3ncccc3C	2.4
78142-97-9	O=C(OCC5C=2C(=O)C(Nc1cnccc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N	0.52
78182-93-1	N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NCCN(CC)CC)C(=CC=34)Nc5ccc(cc5)Cl	7.97
78233-72-4	O=C(N)C(NC(=O)C(NC(=O)C)C)CC(C)C	-0.54
78233-99-5	n1cc(c(nc1N)N)Cc3ccc(OC)c(OCc2ccccc2)c3	2.44
78266-06-5	O=C(O)CN(CC(=O)O)CC(=O)Nc1c(cc(c(c1C)Br)C)C	0.11
78326-57-5	O=NN(C(=O)Nc1ccccc1)C(C)C	2.5
78327-27-2	O=C(OCC5C=2C(=O)C(Nc1nccs1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N	0.62
78432-88-9	O=C(OCCCCCCC)C(C(=O)OCCCCCCC)=C1SCCS1	7.6
78508-43-7	O=C(Nc1cc(c(c(c1)C)Br)C)N(C)C	2.92
78508-44-8	O=C(N)Nc2ccc(Oc1ccccc1)cc2	2.8
78508-45-9	O=C(N)Nc1ccc(F)c(c1)C	1.59
78508-46-0	O=C(N)Nc1ccc(c(c1)C)Br	2.49
78513-74-3	O=C(Oc2cc(OC(C)CCCc1ccccc1)cc4c2C3CC(O)CCC3C(N4C)C)C	5.72
78593-33-6	n1nc(cc2ccccc12)Br	1.72
78617-12-6	OCC1OC(OCCCCCCC)C(O)C(O)C1(O)	0.73
78755-81-4	O=C(OCC)c1ncn2c3ccc(F)cc3(C(=O)N(C)Cc12)	1
78798-46-6	O=C(NCCN(C)C)c1ccccc1(OC)	1.14
78834-86-3	N(c1cccc(c1Cl)Br)=C2NCCN2	2.05
78834-88-5	N(c1cccc(c1Br)Br)=C2NCCN2	2.16
78879-25-1	O=[N+]([O-])c2cc(c(Nc1ncc(cc1Cl)Cl)c(c2)C(F)(F)F)[N+](=O)[O-]	3.47
78879-38-6	O=[N+]([O-])c2cc(c(Nc1ncc(cc1Cl)C(F)(F)F)c(c2)C(F)F)[N+](=O)[O-]	3.52
78982-40-8	O=C1Oc3c(C=C1)ccc2occ(c23)C	2.38
79129-59-2	O=C(c1ccc(cc1)C)N(N)C	1.36
79277-26-2	O=C(OC)c1ccsc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)OC)OC	1.3
79277-27-3	O=C(OC)c1c(ccs1)S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC	1.56
79353-74-5	O=C(NN)NCC(C)C	-0.84
79353-76-7	O=C(NN)NCCCCCC	0.46
79402-07-6	O=C(Nc1ccc(F)cc1(F))c2cc(cc(c2(O))Br)Br	4.99
79467-22-4	OCc1ccccc1Sc2ccccc2CN	2.39
79508-78-4	N=1C(=NC(N(C=1N)c2cccc(c2)COc3ccccc3)(C)C)N	1.86
79508-86-4	O=C(Nc3cccc(OCc1cccc(c1)N2C(=NC(=NC2(C)C)N)N)c3)C	1.15
79510-48-8	O=C(O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(n2)C)OC	1.7
79538-32-2	O=C(OCc1c(F)c(F)c(c(F)c1(F))C)C2C(C=C(C(F)(F)F)Cl)C2(C)(C)	6.5
79540-50-4	O=C(Nc1cccc(c1Cl)Cl)c2ccc(OCOCC)cc2	4.3
79606-43-2	O=C(c1ccc(OC)cc1)N(C(C)C)C(C)C	2.8
79622-59-6	O=[N+]([O-])c2cc(c(c(c2(Nc1ncc(cc1Cl)C(F)(F)F))[N+](=O)[O-])Cl)C(F)(F)F	3.56
79660-72-3	O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCN(C)CC3)CCF	0.24
79794-75-5	O=C(OCC)N4CCC(=C2c1ncccc1CCc3cc(ccc23)Cl)CC4	5.2
79867-78-0	O=C1c6cccc(OC)c6(C(=O)c2c(O)c5c(c(O)c12)CC(O)(C(=O)C)CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))	2.31
79902-63-9	O=C3OC(CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)(C)CC)C12)C)CC(O)C3	4.68
79911-03-8	[O-][n+]1onc(c1C)Cc2ccccc2	2.08
79951-58-9	O=C1c6cccc(OC)c6(C(=O)c2c(O)c5c(c(O)c12)CC(O)(CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))C(O)C)	2.03
79983-71-4	OC(c1ccc(cc1Cl)Cl)(Cn2ncnc2)CCCC	3.9
80012-43-7	N4=C(N)N3c1ccccc1Cc2ccccc2C3C4	3.51
80033-99-4	O=C(Nc1ccc(F)cc1(F))c2cc(cc(c2(O))Cl)Cl	4.55
80060-09-9	O(c1ccccc1)c2cc(c(NC(NC(C)(C)C)=S)c(c2)C(C)C)C(C)C	6
80121-60-4	NC13(CC2CC(CC)(C1)CC(CC)(C2)C3)	4.36
80121-61-5	NC13(CC2CC(C1)CC(CCC)(C2)C3)	3.76
80125-14-0	O=C(NCC1N(CC)CCC1)c2c(OC)ccc(c2(OC))Br	2.1
80171-69-3	O=C(OCCN1CCCCC1)Nc2ccccc2COCC	2.72
80267-16-9	n1cc(c(nc1N)N)Cc2ccc(OCC)c(OCC)c2	1.72
80267-17-0	n1cc(c(nc1N)N)Cc2ccc(OCCC)c(OC)c2	2.02
80353-09-9	c2cc(C1=CCN(C)CC1)sc2	2.51
80407-58-5	O=C(N)COc1ccccc1Cc2cnc(nc2(N))N	-0.34
80412-20-0	O=C(O)CCSc2c[nH]c1ccccc12	2.15
80431-02-3	O=C(NN1CC=CCC1)Cc2cnccc2	0.05
80431-09-0	O=C(NN1CC=CCC1)C(C)(C)C	1.03
80431-10-3	O=C(NN1CC=CCC1)C2CC2	1.12
80431-14-7	O=C(NN1CC=CCC1)c2occc2	0.81
80431-15-8	O=C(NN1CC=CCC1)c2cccs2	1.88
80563-87-7	O=C(OC)c1c(cccc1Cl)[N+](=O)[O-]	2.21
80616-56-4	O=C(Nc1n[nH]c(n1)NC(=O)C(F)(F)F)C(F)(F)F	0.62
80616-57-5	O=C(Nc1n[nH]c(n1)NC(=O)CC)CC	0.07
80616-58-6	O=C(Nc1n[nH]c(n1)NC(=O)CCC)CCC	0.79
80616-59-7	O=C(Nc1nc(n[nH]1)N)C(F)(F)C(F)(F)C(F)(F)F	1.54
80617-74-9	OC(COCCCc1ccccc1)CNC(C)C	1.94
80617-76-1	OC(COCCCc1ccccc1)CNC(C)(C)C	2.58
80617-78-3	OC(COCC=Cc1ccccc1)CNC(C)(C)C	2.29
80617-86-3	OC(COC2c1ccccc1CCC2)CNC(C)(C)C	3.55
80680-06-4	Fc1ccc(cc1)C4c2ccc(cc2C(N3CCN(CCO)CC3)C4)C(F)(F)F	4.39
80715-99-7	O=C(OC)C1=CN=C2N(C1(=O))CCCC2	-0.25
80790-68-7	O=C1c6cccc(OC)c6(C(=O)c2c(O)c5c(c(O)c12)CC(O)(C(=O)CO)CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))	1.73
80844-07-1	O(c1ccccc1)c2cccc(c2)COCC(c3ccc(OCC)cc3)(C)C	7.05
80866-90-6	O=C(N)C(C(=O)N)(c1ccccc1)CC	0.13
80894-32-2	O=C(NN)N(CC)CC	-0.62
80916-23-0	O=C(OCC(O)(C)COc1cccc2ccccc12)C(=C)C	3.77
80929-58-4	O=C(OCOC(=O)C(C)(C)C)C3=C(COC(=O)C)CSC2N3(C(=O)C2(NC(=O)CSc1ccncc1))	1.63
80992-92-3	O=C(C=Cc1cccc(c1)C(F)(F)F)C	3.03
80992-93-4	O=C(C=Cc1ccc(cc1)C(F)(F)F)C	3.13
81020-79-3	N#CC(C#N)=Cc1oc(cc1)C	2.03
81060-10-8	Fc2cccc(N=C1NCCN1)c2Cl	1.52
81060-11-9	Fc2ccc(c(N=C1NCCN1)c2)Cl	1.52
81103-11-9	O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(OC)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C	3.16
81292-48-0	N1=C(OC(C1)COc2ccc(cc2)C)N	1.79
81292-49-1	N1=C(OC(C1)COc2ccc(cc2)Cl)N	2
81292-50-4	N1=C(OC(C1)COc2ccc(OC)cc2)N	1.26
81310-40-9	N#CC(c1ccc(cc1)[N+](=O)[O-])C(C)C	2.8
81334-34-1	O=C(O)c2cccnc2(C1=NC(C(=O)N1)(C)C(C)C)	0.22
81335-37-7	O=C(O)c2cc3ccccc3(nc2(C1=NC(C(=O)N1)(C)C(C)C))	1.86
81406-37-3	O=C(OC(C)CCCCCC)COc1nc(F)c(c(N)c1Cl)Cl	4.53
81437-10-7	n1cc(OCC)c[nH]1	0.8
81496-81-3	OC3OC1OC2(OOC14(C(CC2)C(C)CCC4(C3(C))))(C)	2.19
81592-05-4	N#Cc2ccc(OC(=O)CNC(=O)c1ccccc1)cc2	2.11
81592-09-8	O=C(Oc1cccc(c1)NC(=O)C)CNC(=O)c2ccccc2	1.7
81592-11-2	O=C(Oc1cccc(c1)C(=O)N)CNC(=O)c2ccccc2	1.2
81592-12-3	N#Cc2cccc(OC(=O)CNC(=O)c1ccccc1)c2	2.11
81592-15-6	O=C(Oc1cc(cc(c1)C)C)CNC(=O)c2ccccc2	3.4
81592-16-7	O=C(Oc1cc(OC)cc(OC)c1)CNC(=O)c2ccccc2	2.69
81686-41-1	c1c(c(cc(c1Cl)C(C)C)Cl)C	5.6
81686-42-2	c1c(c(c(c(c1Cl)C)Cl)Cl)C(C)C	6.2
81686-43-3	c1(c(c(c(c(c1Cl)Cl)C(C)C)Cl)Cl)C	6.8
81686-44-4	c1cc(c(c(c1C)Cl)Cl)C(C)C	5.5
81777-89-1	O=C1N(OCC1(C)C)Cc2ccccc2Cl	2.5
81792-70-3	O=C(NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-])C(CC)CC	3.57
81792-73-6	O=C(NS(=O)(=O)c1ccccc1(N))C(C)C	1.17
81792-74-7	O=C(NS(=O)(=O)c1ccc(cc1(N))C)C(C)C	1.65
81792-75-8	O=C(NS(=O)(=O)c1ccc(cc1(N))C(F)(F)F)C(C)C	2.56
81792-76-9	O=C(NS(=O)(=O)c1ccc(OC)cc1(N))C(C)C	1.58
81792-78-1	O=C(NS(=O)(=O)c1ccccc1(N))C(CC)CC	1.64
81792-79-2	O=C(NS(=O)(=O)c1ccc(cc1(N))C)C(CC)CC	2.18
81792-80-5	O=C(NS(=O)(=O)c1ccc(cc1(N))C(F)(F)F)C(CC)CC	3.04
81792-81-6	O=C(NS(=O)(=O)c1ccc(OC)cc1(N))C(CC)CC	2.03
81792-82-7	O=C(NS(=O)(=O)c1ccc(cc1(N))Cl)C(CC)CC	2.53
81792-98-5	O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C	1.72
81792-99-6	O=C(NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C)C(C)C	2.17
81793-03-5	O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(CC)CC	2.17
81793-04-6	O=C(NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C)C(CC)CC	2.67
81865-11-4	N#CC(C#N)=NNc1ccc(cc1)CCCl	3.58
81872-10-8	O=C(O)C2N(C(=O)C(C)CSC(=O)c1ccccc1)CC(C2)Sc3ccccc3	4.4
81892-67-3	O=C(NCCO)C(n1ccnc1[N+](=O)[O-])C	-1.16
81892-68-4	O=C(NCC(O)CO)C(n1ccnc1[N+](=O)[O-])C	-1.64
81892-69-5	O=C(NC(CO)(CO)CO)Cn1ccnc1[N+](=O)[O-]	-1.77
82211-24-3	O=C(Nc1ccc(cc1C(O)c2ccccc2)Cl)c3ccncc3	3.13
82249-23-8	O=[N+]([O-])c1nccn1CC(O)COCCCC	1.11
82412-82-6	O=C(O)C(O)(c1ccc(cc1)CC(C)C)C	2.75
82419-36-1	O=C(O)C2=CN1c3c(OCC1C)c(c(F)cc3(C2(=O)))N4CCN(C)CC4	-0.39
82535-32-8	N#Cc1ccc(cc1)COC(=O)C2C(C=C(C)C)C2(C)(C)	4.91
82558-50-7	O=C(Nc1onc(c1)C(C)(CC)CC)c2c(OC)cccc2(OC)	3.94
82560-54-1	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(CCC(=O)OCC)C(C)C	4.3
82568-68-1	O=C(N)c2ccccc2(OCc1ccc(cc1)[N+](=O)[O-])	1.73
82568-69-2	O=C(N)c2ccccc2(OCc1ccc(OC)cc1)	1.63
82700-02-5	NC(C)CC1CCCCCCC1	3.7
82756-29-4	O=C1C=CN(C(=C1(O))C)CCCCCCCC	2.88
82774-00-3	O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1)C)C	2.5
82774-01-4	O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccccc1)C	2.2
82774-06-9	O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1)Cl)C	2.6
82774-07-0	O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccccc1Cl)C	2.5
82774-14-9	O=C(ON=C(C)SC)N(C)SN(C(=O)c1cccc(c1)Cl)C	2.7
82774-15-0	O=C(ON=C(C)SC)N(C)SN(C(=O)c1cccc(c1)C(F)(F)F)C	2.5
82774-16-1	O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1Cl)Cl)C	3.2
82774-17-2	O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccc(cc1)C)C(C)C	3.4
82774-18-3	O=C(ON=C(C)SC)N(C)SN(C(=O)c1ccccc1)CCCC	3.4
82775-80-2	[O-][n+]2onc(c2(c1ccccc1))Cl	2.82
82775-81-3	[O-][n+]2onc(c1ccccc1)c2Cl	2.7
82784-14-3	O=C(ON=C(C)SC)N(C)SN(C(=O)c1c(cccc1Cl)Cl)C	2.6
83002-04-4	Oc1cc(ccc1C2CC(O)CCC2(CCCO))C(C)(C)CCCCCC	6.13
83029-57-6	O=C(NCCNCC(O)COc1ccccc1)C(C)C	1.14
83040-20-4	O=C(O)C1C(C(=O)O)C(C)(C)N(=O)C1(C)(C)	0.46
83055-99-6	O=C(OC)c1ccccc1CS(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)OC	2.45
83073-36-3	O=C(c1ccc(cc1)Cl)c2c(cc3n2CCC3(C(=O)O))C	3.6
83073-37-4	O=C(O)C3c2cc(c(C(=O)c1ccc(F)cc1)n2CC3)CC	3.63
83116-90-9	O=C(OCC2C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(n1ccnc1[N+](=O)[O-])S2)C	0.63
83118-48-3	FC(F)(F)c1ccc2c(c1)C3CC(N)C2C3	3.06
83118-51-8	FC(F)(F)c1ccc2c(c1)C3CC2CC3(N)	3.02
83121-18-0	O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(F)c(c2(F))Cl)Cl	4.56
83123-89-1	O=C(OCC=CC)C1C(C=C(C)C)C1(C)(C)	5.09
83128-50-1	O=C1NC(=O)C(C(=O)N1C)CC	0.15
83130-01-2	O=C(ON=C(C)SC)N(C)SN(Cc1ccccc1)CCC(=O)OCC	3.43
83157-96-4	n1cc(c(nc1N)N)Cc2c(c(OC)cc(OC)c2Cl)Cl	2.55
83157-97-5	n1cc(c(nc1N)N)Cc2cc3OCOc3(cc2Br)	2.48
83157-99-7	n1cc(c(nc1N)N)Cc2cc(nc(OC)c2)OC	1.64
83158-00-3	Oc1cc(cc(O)c1(OC))Cc2cnc(nc2(N))N	-0.04
83158-01-4	n1cc(c(nc1N)N)Cc4cc(OC)c(OCc2ccccc2)c(OCc3ccccc3)c4	4.09
83158-02-5	n1cc(c(nc1N)N)Cc4cc(OCc2ccccc2)c(OC)c(OCc3ccccc3)c4	3.89
83158-03-6	n1cc(c(nc1N)N)Cc2cc(OCCCC)c(OC)cc2C	2.78
83158-04-7	n1cc(c(nc1N)N)Cc2cc(c(OC)c(c2)Cl)Cl	2.78
83158-05-8	n1cc(c(nc1N)N)Cc3cc(OCc2ccccc2)c(OC)cc3C	2.69
83158-06-9	n1cc(c(nc1N)N)Cc3ccc(OCc2ccccc2)c(OC)c3	2.66
83164-33-4	O=C(Nc1ccc(F)cc1(F))c3cccnc3(Oc2cccc(c2)C(F)(F)F)	4.9
83166-73-8	n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(c2)I	2.33
83166-74-9	n1cc(c(nc1N)N)Cc2cc(OC)cc(OC)c2Cl	2.13
83166-75-0	OC(c1ccc(cc1(OC))Cc2cnc(nc2(N))N)(C)C	1.38
83166-76-1	Oc1cc(ccc1(OC))Cc2cnc(nc2(N))N	0.74
83166-77-2	N#CCOc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	0.72
83166-78-3	O=C(OC)COc1c(OC)cc(cc1(OC))Cc2cnc(nc2(N))N	0.55
83200-90-2	O=[N+]([O-])c1nc(cn1CC(O)COC)Br	0.46
83293-76-9	O=C(N)c1cc(N=NN(C)C)cc(c1)C(=O)N	0.22
83430-06-2	O=C(O)CON=C(c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])C	4.3
83593-63-9	OC(c1ccccc1)CN(CCCC)CCCC	3.16
83657-22-1	OC(C(=Cc1ccc(cc1)Cl)n2ncnc2)C(C)(C)C	3.67
83657-24-3	OC(C(=Cc1ccc(cc1Cl)Cl)n2ncnc2)C(C)(C)C	4.3
83704-27-2	o2c1c(cccc1Cl)c3c2c(c(cc3Cl)Cl)Cl	6.31
83704-30-7	o2c1c(cccc1Cl)c3cc(c(c(c23)Cl)Cl)Cl	6.11
83704-55-6	o2c1c(cc(cc1Cl)Cl)c3c2c(c(cc3Cl)Cl)Cl	6.24
83801-60-9	O(c1cccc(c1)Br)[Si]23(OCCN(CCO2)CCO3)	0.26
83870-87-5	O=C(O)C(NS(=O)(=O)c1ccccc1)CCC(=O)N	0.33
83870-89-7	O=C(O)C(NS(=O)(=O)c1ccccc1)CCC(=O)NCC	0.15
83870-90-0	O=C(O)C(NS(=O)(=O)c1ccccc1)CCC(=O)NCCC	0.01
83905-01-5	O=C3OC(CC)C(O)(C)C(O)C(N(C)CC(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1(O))C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C3C)C	4.02
83992-69-2	O(c1cc(c(cc1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl	7.46
83992-70-5	O(c1ccc(c(c1)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	7.31
83992-71-6	O(c1ccc(c(c1Cl)Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl	7.14
83992-72-7	O(c1cc(c(c(c1)Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl	7.55
83992-73-8	O(c1cc(c(c(c1Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	8.07
83992-75-0	O(c1cc(c(cc1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	7.81
84043-25-4	O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))CC	0.68
84043-26-5	O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)C2(O))CCC	0.87
84043-27-6	O=C1NC(=O)N(C=C1I)C2OC(COC(=O)C(C)C)C2(O)	0.83
84043-28-7	O=C1NC(=O)N(C=C1I)C2OC(COC(=O)C(C)(C)C)C(O)C2	1.34
84043-31-2	O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))c3ccccc3	1.4
84052-69-7	O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))CCCC	1.44
84057-95-4	O=C(Nc1c(cccc1C)C)C2N(CCC)CCCC2	2.9
84057-96-5	Fc1ccc(cc1)CCOCCOc2ccc(OCC(O)CNC(C)C)cc2	3.7
84064-38-0	O=C(O)CC(O)CC(O)CCC2C(C=CC1=CCCC(OC(=O)C(C)CC)C12)C	3.6
84104-57-4	O=C4OC(OC(=O)C3=CCSC2N3(C(=O)C2(NC(=O)C(=NOC)c1nc(N)sc1)))c5ccccc45	1.28
84123-05-7	O=C(c1nc(n(c1C)CC(O)C)[N+](=O)[O-])C	0.37
84174-20-9	O=NN(C)Cc1ccc(OC)cc1	1.62
84174-21-0	O=NN(C)Cc1ccc(F)cc1	1.67
84174-22-1	O=NN(C)Cc1ccc(cc1)Cl	2.19
84174-23-2	N#Cc1ccc(cc1)CN(N=O)C	0.95
84174-24-3	O=NN(C)Cc1ccc(cc1)[N+](=O)[O-]	0.82
84199-91-7	O=C(N)CCc1ncccc1	-0.27
84199-97-3	O=C(N)CCCCc1ncccc1	0.38
84199-99-5	O=C(N)CCc1cnccc1	-0.26
84200-01-1	O=C(N)CCCc1cnccc1	-0.08
84200-03-3	OCCCCCc1cnccc1	1.41
84200-04-4	O=C(N)CCCCc1cnccc1	0.4
84200-05-5	n1cccc(c1)CCCCCN	1.41
84200-07-7	O=C(N)CCc1ccncc1	-0.25
84200-11-3	O=C(N)CCCCc1ccncc1	0.42
84226-14-2	O=C(NCC1N(CC)CCC1)c2c(OC)ccc(c2(O))Br	2
84332-86-5	O=C1OC(C(=O)OCC)(C(=O)N1c2cc(cc(c2)Cl)Cl)C	3.15
84368-16-1	O=C(OC)C2C(C=C1C(=O)SCC1)C2(C)(C)	2.33
84397-27-3	O=C(OCC5C=2C(=O)C(Nc1cnc(OC)cc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N	0.59
84408-37-7	OCCOCn2cnc1cnc(nc12)N	-1.08
84472-85-5	[N-]=[N+]=NC1CC(OC1(CO))N2C=CC(=O)NC2(=O)	-0.32
84472-89-9	[N-]=[N+]=NC1CC(OC1(CO))N2C=CC(=NC2(=O))N	-0.7
84496-56-0	O=C(Nc1ccccc1)C(Oc2ccc(c(c2Cl)C)Cl)C	4.8
84625-61-6	O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC3OC(OC3)(c4ccc(cc4Cl)Cl)Cn5ncnc5)cc6)CC7)C(C)CC	5.66
84640-21-1	O=C(OCc1ccc(cc1)C)N(C)C	2.63
84640-22-2	O=C(OCc1ccc(F)cc1)N(C)C	2.3
84640-23-3	O=C(OCc1cccc(OC)c1)N(C)C	2.09
84640-24-4	O=C(OCc1ccc(OC)cc1)N(C)C	2.2
84640-25-5	O=C(OCc1cccc(N)c1)N(C)C	1.06
84640-26-6	O=C(OCc1cccc(c1)Cl)N(C)C	2.82
84640-27-7	O=C(OCc1ccc(cc1)Cl)N(C)C	2.93
84640-28-8	O=C(OCc1cccc(c1)N(C)C)N(C)C	2.28
84640-29-9	O=C(OCc1cccc(OC(C)C)c1)N(C)C	3.03
84640-30-2	O=C(OCc2ccc(OCc1ccccc1)cc2)N(C)C	3.27
84640-31-3	O=C(OCc1ccc(cc1)[N+](=O)[O-])N(C)C	1.95
84640-32-4	N#Cc1ccc(cc1)COC(=O)N(C)C	1.67
84640-33-5	O=C(OCc1ccc(cc1)Br)N(C)C	3.01
84640-34-6	O=C(OCc1ccc(cc1)I)N(C)C	3.32
84640-35-7	O=C(OCc1ccc(cc1)C(F)(F)F)N(C)C	3.08
84640-36-8	O=C(OCc2cccc(Oc1ccccc1)c2)N(C)C	3.55
84640-38-0	O=C(Oc1ccc(cc1)COC(=O)N(C)C)N(C)C	1.59
84640-39-1	O=C(OCc1ccc(cc1)SC)N(C)C	2.86
84652-30-2	O=C(N)CC(NC(=O)C)C(=O)N	-2.41
84712-77-6	n1c(nc(nc1NC2CCCCC2)Cl)NCC	3.63
84846-21-9	O=C(NCC)C2C1C=CC(C1)C2(C(=O)NCC)	0.66
84884-30-0	N#Cc1cc(cnc1N(C)C)c2ccncc2	2.13
84952-60-3	c1ccc(cc1)C(CNC)CC	2.82
84952-61-4	c1ccc(cc1)C(CNC)C(C)C	3.12
84952-62-5	c1ccc(cc1)C(CNC)CC(C)C	3.76
85033-96-1	O=C(Cc1ccccc1)S	1.91
85078-20-2	O=[N+]([O-])C(CC)C(c1ccc(OC)cc1)c2ccc(OC)cc2	4.45
85078-27-9	O=[N+]([O-])CC(c1ccc(OC)cc1)c2ccc(OC)cc2	3.57
85093-33-0	O=C1NC(=O)N(C=C1(F))Cc2ccc(cc2)Cl	1.64
85093-35-2	O=C1NC(=O)N(C=C1(F))Cc2ccc(OC)cc2	1.04
85179-34-6	O=CCC2CC(C(=O)C=CC3OC3(CC(OC(=O)CC(OC(=O)C)C(OC)C2(OC1OC(C)C(O)C(N(C)C)C1(O)))C))C	0.3
85326-32-5	O=C(OCCCC)N1C=C(F)C(=O)NC1(=O)	0.89
85432-35-5	O=C1NC(=O)C(C(=O)N1C(C)C)(CC)CC	2.36
85432-36-6	O=C2NC(=O)C(c1ccccc1)(C(=O)N2C(C)C)CC	2.58
85432-37-7	O=C1N=C(OC(C)C)NC(=O)C1(c2ccccc2)CC	1.79
85432-38-8	O=C1N=C(OC(C)C)C(C(=O)N1)(CC)CC	1.86
85432-39-9	O=C1N=C(OC(C)C)C(C(=O)N1)(c2ccccc2)CC	2.22
85445-03-0	O=C1N=C(OC(C)C)NC(=O)C1(CC)CC	1.44
85509-19-9	Fc1ccc(cc1)[Si](c2ccc(F)cc2)(C)Cn3ncnc3	3.7
85544-41-8	n1cc(c(nc1N)N)Cc2ccc(OCC)c(OC)c2	1.34
85544-42-9	n1cc(c(nc1N)N)Cc2cc(OC)c(C=CC)c(OCC)c2	2.65
85544-43-0	n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)I	2.09
85544-44-1	n1cc(c(nc1N)N)Cc2ccc(OC)c(N)c2	0.76
85544-45-2	n1cc(c(nc1N)N)Cc2ccc(N)c(OC)c2	0.49
85544-46-3	n1cc(c(nc1N)N)Cc2ccc(OC)c(c2)N(C)C	1.68
85544-47-4	n1cc(c(nc1N)N)Cc2ccc(c(OC)c2)N(C)C	1.87
85544-51-0	n1cc(c(nc1N)N)Cc2cc(ccc2(OC))Br	2.44
85544-52-1	n1cc(c(nc1N)N)Cc2cc(OC)ccc2Br	2
85544-53-2	n1cc(c(nc1N)N)Cc2cc(OC)c(cc2Br)Br	3.17
85544-57-6	n1cc(c(nc1N)N)Cc2cc(OC)c(OC)c(OC)c2I	1.79
85555-96-0	n1cc(c(nc1N)N)Cc2ccc(OC)c(OCCC)c2	1.88
85623-70-7	[O-][N+](=Cc1ccc(F)cc1)C(C)(C)C	1.42
85653-81-2	O=C1C=CN=C2C=C(C=CN12)C	0.56
85653-87-8	O=C1C3=C(NC2N1C(=CCC2)C)CCC3	1.2
85653-88-9	O=C2C3=C(NC1N2(C=C(C)CC1))CCC3	1.22
85664-58-0	[O-][N+](=Cc1ccc(cc1)CC)C(C)(C)C	2.19
85683-39-2	O=C1C(=NN=C(N1C)S)c2ccc(F)cc2	2.38
85728-59-2	O=C(OC)CS(=O)c1ccc(cc1)[N+](=O)[O-]	0.8
85729-23-3	O=C(NC)c2c[nH]c1ccccc12	1.25
85785-20-2	O=C(N(CC)C(C)C(C)C)SCc1ccccc1	4.6
85819-14-3	O=C(NCCCN(C)C)c1ccccc1(OC)	1.27
85819-15-4	O=C(NCCCN(CC)CC)c1ccccc1(OC)	1.76
85856-32-2	O=C(Nc1cccc(N)c1)Cc2ccccc2	1.59
85872-51-1	O=C2c1[nH]c(nc1N(C(=O)N2CCC)CCC)c3ccc(cc3(N))Cl	4.02
85873-47-8	O=C(NS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(C)C	3.1
85879-18-1	O=C(ON=Cc1ccc(c(c1)Cl)Cl)NC	2.89
85879-19-2	O=C(ON=Cc2cccc(Oc1ccccc1)c2)NC	3.12
85879-21-6	O=C(N)Nc1cccc(c1)SC	1.57
85879-22-7	O=C(N)Nc2ccc(Oc1ccc(cc1)Br)cc2	3.7
85911-77-9	O=C(Nc1ccc(cc1)CCC)N(C)C	2.55
85918-31-6	O(c1ccc(c(c1)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl	6.51
85918-33-8	O(c1ccccc1)c2c(cc(c(c2Cl)Cl)Cl)Cl	5.88
85918-35-0	O(c1ccc(c(c1Cl)Cl)Cl)c2c(cccc2Cl)Cl	6.11
85918-37-2	O(c1cc(c(cc1Cl)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl	6.47
85956-22-5	O=C3OC(CCC2C(C=CC1=CC(O)CC(OC(=O)C(C)CC)C12)C)CC(O)C3	2.42
86017-96-1	N#CC(C#N)=NNc1ccc(cc1)C(=O)CCl	2.15
86072-07-3	O=[N+]([O-])c1cnc(n1C)Cl	0.62
86073-85-0	OC(c2cc(nc1ccccc12)C(C)(C)C)CCC3CCNCC3	3.63
86230-36-6	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccccc3)C	3.5
86230-37-7	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccc(cc3)Cl)C	4
86230-38-8	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccccc3Cl)C	4.1
86315-52-8	O=S(c3ccc(c1nc2cnccc2([nH]1))c(OC)c3)C	1.25
86393-37-5	O=C(O)C1=CN(NC)c2cc(c(F)cc2(C1(=O)))N3CCN(C)CC3	0.23
86436-46-6	O=C1C=C3C(=CC=C1(OC))c2c(OC)c(O)c(OC)cc2CCC3(NC(=O)C(F)(F)F)	1.67
86476-06-4	O=C(OCC5C=1C(=O)C(N)=C(C(=O)C=1N4CC3N(C(=O)OCc2ccccc2)C3C45(OC))C)N	1.34
86479-06-3	O=C(NC(=O)c1c(F)cccc1(F))Nc2cc(c(OC(F)(F)C(F)F)c(c2)Cl)Cl	5.68
86516-51-0	O=C(c1ccc(OC)cc1)CS(=O)(=O)c2ccc(cc2)C	2.47
86552-09-2	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2)N(C)C	1.99
86569-89-3	O=C(ON=C(C)SC)N(C)SN(C(=O)OCCCCCCCCCC)C	6.2
86569-90-6	O=C(ON=C(C)SC)N(C)SN(C(=O)OC1CCCCC1)C	3.6
86569-91-7	O=C(ON=C(C)SC)N(C)SN(C(=O)C)C	1.3
86569-92-8	O=C(ON=C(C)SC)N(C)SN(C(=O)CC)C	1.6
86569-93-9	O=C(ON=C(C)SC)N(C)SN(C(=O)CCC)C	2.2
86569-94-0	O=C(ON=C(C)SC)N(C)SN(C(=O)C(C)C)C	2.2
86569-95-1	O=C(ON=C(C)SC)N(C)SN(C(=O)C)CCCC	2.4
86569-98-4	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)OC(C)(C)C)C	4.3
86570-00-5	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)CC)C	3.2
86570-01-6	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)CCC)C	3.8
86570-02-7	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)C(C)C)C	3.6
86570-05-0	O=C(Oc2cccc1c2(OC(C)(C)C1))N(C)SN(C(=O)c3ccc(cc3Cl)Cl)C	4.9
86571-25-7	O=C(C=Cc1ccccc1)C(F)(F)F	3.01
86598-92-7	n1cnn(c1)CC(=Nc2ccc(cc2Cl)Cl)SCc3ccc(cc3)Cl	4.94
86678-86-6	O=C(NCc1ccccc1)CCC(C)C3CCC4C5C(O)CC2CC(O)CCC2(C)C5(CC(O)C34(C))	3.54
86763-47-5	O=C(N(c1c(cccc1CC)C)COC(C)C)CCl	3.5
86811-58-7	O=C(NC(=O)c1c(F)cccc1(F))Nc3ccc(c(Oc2ncc(cc2Cl)C(F)(F)F)c3)Cl	5.1
86811-82-7	O(c1ccc(cc1)Br)[Si]23(OCCN(CCO2)CCO3)	0.58
86825-39-0	O(c1cccc(c1)Cl)[Si]23(OCCN(CCO2)CCO3)	0.46
86845-62-7	O=[N+]([O-])c1nc(c(nc1(N))NCCO)Cl	0.12
86880-51-5	N#Cc2ccccc2(OCC(O)CNCCNC(=O)Cc1ccc(O)cc1)	0.92
86886-77-3	O=C(Nc1ccc(c(c1)Cl)Cl)CCc2ccccc2	4.85
86943-77-3	c1ccc2c(c1)C3CC(NCCC)C2C3	3.22
86943-78-4	c1ccc2c(c1)C3CC(NCC)C2C3	2.67
86943-80-8	O2C3c1ccccc1C2C(NC)C3	0.93
86988-90-1	[O-][n+]1onc(c1C)Cl	1.02
86992-69-0	c1ccc2c(c1)C3CCC2C3(NC)	2.37
87051-43-2	O=C2C(=C(N=C1N2(C=CS1))C)CCN5CCC(=C(c3ccc(F)cc3)c4ccc(F)cc4)CC5	5.2
87072-64-8	O=C(N(N=Nc1ccc(cc1)CC)C)C	3.36
87072-65-9	O=C(N(N=Nc1ccc(F)cc1)C)C	2.77
87130-18-5	O=C(OC)Nc1ccc(OCC)c(OCC)c1	2.1
87130-19-6	O=C(OCC)Nc1ccc(OCC)c(OCC)c1	2.54
87130-20-9	O=C(OC(C)C)Nc1ccc(OCC)c(OCC)c1	2.91
87130-27-6	O=C(OCC=C)Nc1ccc(OCC)c(OCC)c1	2.75
87130-34-5	O=C(OCC#C)Nc1ccc(OCC)c(OCC)c1	2.68
87130-47-0	O=C(OC(CBr)CBr)Nc1ccc(OCC)c(OCC)c1	3.5
87130-55-0	O=C(OC(COC)CCl)Nc1ccc(OCC)c(OCC)c1	2.82
87130-56-1	N#CCCOC(=O)Nc1ccc(OCC)c(OCC)c1	2.07
87130-88-9	O=C(OCCC)Nc1ccc(OCC)c(OCC)c1	2.93
87154-30-1	O=P1(OCCCN1(Cl))(N(CCCl)CCCl)	1.94
87237-48-7	O=C(OCCOCC)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C	4.33
87269-97-4	O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCC12)C)CCc3ccccc3	0.22
87340-61-2	O=C(OCc1ccc(cc1)C(=O)N)N(C)C	0.77
87359-11-3	n1ccc2[nH]c(nc2(c1))c3ccc(OC)cc3(OC)	2.56
87359-63-5	n1ccc2[nH]c(nc2(c1))c3ccc(OC)cc3(OCCCCl)	3.53
87365-63-7	O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCCC2	3.82
87374-78-5	O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCCCC2	4.25
87418-35-7	FC1CC(OC1(CO))n3cnc2c(ncnc23)N	0.08
87469-33-8	O=C2Nc1c(ncn1CC=C)C(=N)N2C	-0.57
87469-41-8	O=C2Nc1c(ncn1CCOC)C(=N)N2C	-0.96
87469-43-0	O=C2Nc1c(ncn1CCOCC)C(=N)N2C	-0.4
87469-44-1	O=C1Nc2ncn(c2(C(=N)N1C))CCOCC	-1.1
87469-45-2	O=C2Nc1c(ncn1CCSCC)C(=N)N2C	0
87469-46-3	O=C1Nc2ncn(c2(C(=N)N1C))CCSCC	-0.13
87469-47-4	O=C2Nc1c(ncn1CCOC=C)C(=N)N2C	-0.24
87469-54-3	O=C1Nc2ncn(c2(C(=N)N1C))CCOc3ccc(cc3)Br	1.25
87469-62-3	O=C1Nc2ncn(c2(C(=N)N1C))Cc3ccccc3	0.07
87469-68-9	O=C2Nc1c(ncn1CCOCOC)C(=N)N2C	-1.52
87546-18-7	O=C(OCCCCC)COc1cc(c(F)cc1Cl)N2C(=O)C3=C(C2(=O))CCCC3	4.99
87586-46-7	O1c3ccccc3(OCCOCCOCCOCCOCCOCCOc2ccccc2(OCCOCCOCC1))	1.45
87653-22-3	O=C(NC)NCCCCN1N=C(C=CC1(=O))c2ccccc2	1.23
87653-23-4	O=C(NCC)NCCCCN1N=C(C=CC1(=O))c2ccccc2	1.83
87653-35-8	O=C1C=CC(=NN1CCCCNC(=O)N(C)C)c2ccccc2	1.58
87653-49-4	O=C(N)NCCCCCCN1N=C(C=CC1(=O))c2ccccc2	1.82
87666-25-9	O=C(NC)NCCN1N=C(C=CC1(=O))c2ccccc2	0.39
87666-26-0	O=C(N)NCCCN1N=C(C=CC1(=O))c2ccccc2	0.69
87666-27-1	O=C(NC)NCCCN1N=C(C=CC1(=O))c2ccccc2	1.16
87666-28-2	O=C(NCC)NCCCN1N=C(C=CC1(=O))c2ccccc2	1.68
87666-30-6	O=C1C=CC(=NN1CCCNC(=O)N(C)C)c2ccccc2	1.61
87666-31-7	O=C(N)NCCCCN1N=C(C=CC1(=O))c2ccccc2	1.21
87674-68-8	O=C(N(c1c(csc1C)C)C(C)COC)CCl	2.15
87691-87-0	n2c(c1ccccc1s2)N3CCNCC3	2.14
87714-68-9	O=C(OC)CON=C(c2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])C	4.54
87743-55-3	O=C(OC)Nc1cccc(c1)C(=O)C	1.63
87757-18-4	O=C(N1OCCC1)C(Oc3ccc(Oc2ncc(cc2Cl)Cl)cc3)C	3.36
87764-56-5	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OCC	1.29
87771-40-2	O=C(NCC(O)CO)c1c(c(C(=O)NCC(O)CO)c(c(c1I)N(C(=O)CO)CCO)I)I	-2.98
87789-49-9	Fc1nc(ncc1)N2CCNCC2	0.97
87818-31-3	O(Cc1ccccc1C)C3CC2(OC3(C)(CC2))C(C)C	4.62
87820-88-0	O=C2C(=C(O)CC(c1c(cc(cc1C)C)C)C2)C(=NOCC)CC	4.46
87871-35-0	N=1C(=NC(N(C=1N)c2ccc(N)cc2)(C)C)N	-0.59
87885-48-1	O=[N+]([O-])c1nccnc1(NCC(O)CO)	-0.49
87885-53-8	O=C(OC)c1nc(cnc1[N+](=O)[O-])NCC(O)CO	-0.1
88054-22-2	O=[N+]([O-])c1nc([nH]c1)C	0.15
88058-85-9	Oc1ccc2c(c1)C3OCCN(CCC)C3(CC2)	2.44
88095-60-7	n1cc(OCCC)c[nH]1	1.42
88107-10-2	O=C(c2ccc(OCCCCc1nnn[nH]1)c(c2(O))CCC)C	3.82
88116-58-9	O=C(NC(CO)CO)c1c(c(C(=O)NC(CO)CO)c(c(c1I)N(C(=O)C)CCO)I)I	-2.33
88132-15-4	O=C(Nc1ccc(cc1)[N+](=O)[O-])N(OC)C	1.74
88132-16-5	O=C(Nc1ccc(N)cc1)N(OC)C	-0.16
88132-19-8	O=C(Nc1cccc(c1)[N+](=O)[O-])N(OC)C	1.64
88132-20-1	N#CC(C#N)=Cc1ccc(cc1)NC(=O)N(OC)C	2.19
88132-23-4	O=C(Nc1ccc(cc1)C(=O)C)N(OC)C	1.22
88132-24-5	O=C(Nc1ccc(F)cc1)N(OC)C	1.46
88132-25-6	O=C(OCC)c1ccc(cc1)NC(=O)N(OC)C	2.24
88132-26-7	O=C(Nc1ccc(cc1)C(=O)c2ccccc2)N(OC)C	2.86
88132-31-4	O=C(Nc2ccc(OCCCCOc1ccccc1)cc2)N(OC)C	3.57
88132-35-8	O=C(Nc2ccc3c1ccccc1Cc3(c2))N(OC)C	3.67
88132-40-5	O=C(Nc1cccc(c1)CCCC)N(C)C	3.23
88132-41-6	O=C(Nc1ccc(cc1)C2CCCCC2)N(C)C	3.83
88132-43-8	O=C(OC(CC(C)C)CC(C)C)c1ccc(cc1Cl)NC(=O)N(C)C	5.15
88150-42-9	O=C(OC)C2=C(NC(=C(C(=O)OCC)C2(c1ccccc1Cl))COCCN)C	3
88158-44-5	O=C1C=CC4(C(=C1)CCC3C5CCC(O)(C(=O)COC2OC(CO)C(O)C(O)C2(O))C5(C)(CC(O)C34))(C)	0.19
88203-03-6	O=C(N)c1ccccc1(NC(=O)C(Cl)Cl)	1.68
88203-04-7	N#CCNc1ccccc1(C(=O)C)	1.58
88203-05-8	N#CCNc1ccccc1(C(=O)N)	0.5
88203-06-9	O=C(C)CNc1ccccc1(OC)	1.49
88203-07-0	O=C(N)CNc1ccccc1(OC)	0.78
88267-61-2	O=C(N)c1ccccc1(NCCO)	-0.05
88267-62-3	O=C(N)c1ccccc1(NCCCO)	0.7
88283-41-4	N(OC)=C(c1ccc(cc1Cl)Cl)Cc2cnccc2	3.7
88437-14-3	O=C1C(=C(N=C2N1CCCC2)C)C	0.6
88449-50-7	O=C(O)Cc1ccc(OC(C)C)c(OC)c1	1.75
88485-37-4	FC(F)(F)C(=NOCC1OCCO1)c2ccc(cc2)Cl	2.9
88491-49-0	O=C1C3=C(N=C2N1CCC2)CCC3	0.22
88491-50-3	O=C1C3=C(N=C2N1CCC2)CCCC3	0.83
88497-95-4	O=C(N)Nc1cccc(c1)S(=O)(=O)C	-0.12
88511-47-1	O=C(N)c1cnncc1	-0.96
88511-48-2	O=C(N)c1ncccn1	-1.2
88530-27-2	O=C(N)C(NC(=O)C)CC23(CC1CC(CC(C1)C2)C3)	1.9
88598-34-9	O=C(O)C3N2C(=O)C(NC(=O)Cc1ccc(cc1Cl)Cl)C2SC3(C)(C)	3.3
88644-13-7	O=C(O)C3N2C(=O)C(NC(=O)C(NS(=O)(=O)C)c1ccccc1)C2SC3(C)(C)	0.95
88671-89-0	N#CC(c1ccc(cc1)Cl)(Cn2ncnc2)CCCC	2.94
88678-67-5	n1c(OC)cccc1N(C(Oc2cccc(c2)C(C)(C)C)=S)C	5.18
88695-06-1	O=C1Nc3cc(c(cc3(C(=NC1)c2ccccc2(F)))Cl)Cl	3.63
88695-07-2	O=C1Nc3cc(ccc3(C(=NC1)c2c(F)cccc2(F)))Cl	2.88
88695-10-7	O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))CC	1.81
88695-11-8	O=C1N(c3ccc(cc3(C(=NC1C)c2ccccc2Cl))Cl)C	3.4
88695-12-9	O=C1N(c3ccc(N)cc3(C(=NC1)c2ccccc2))CSC	1.92
88695-13-0	O=C1N(c3ccc(N)cc3(C(=NC1(O))c2ccccc2))COC	0.75
88793-46-8	O=[N+]([O-])c1nc(c(nc1(N))NCC(O)CO)Cl	-0.22
88837-70-1	O=[N+]([O-])C(C)C(c1ccccc1)c2ccccc2	3.91
88854-59-5	O=C(OCC5C=2C(=O)C(Nc1cnc(N)cc1)=C(C(=O)C=2N4CC3NC3C45(OC))C)N	-0.32
88854-60-8	O=C(OCC5C=2C(=O)C(Nc1nc(c(C)s1)C)=C(C(=O)C=2N4CC3NC3C45(OC))C)N	1.29
88854-64-2	O=C(OCC5C=2C(=O)C(Nc1cc(ns1)C)=C(C(=O)C=2N4CC3NC3C45(OC))C)N	-0.3
88946-19-4	O=S(=O)(NC)c2nc1ccc(OCC)cc1s2	2.59
88946-20-7	O=S(=O)(N)c2nc1ccc(cc1s2)Cl	2.1
89016-31-9	O=C1OCC(=C1)C4C(O)CC5(O)(C6CCC3CC(OC2OC(C)C(O)C(OC)C2)CCC3(C)C6(CCC45(C)))	0.59
89073-49-4	O=C2c1[nH]c(nc1N(C(=O)N2CC)CC)c3ccc(cc3)S(=O)(=O)NCCN(C)C	2.57
89073-58-5	O=C2c1[nH]c(nc1N(C(=O)N2CCC)CCC)c3ccc(cc3)S(=O)(=O)NCCN(C)C	3.32
89075-54-7	n1ccc2[nH]c(nc2(c1))c3c(OC)cccc3(OC)	1.66
89083-18-1	O=C(Nc1nc(NCC(O)CO)c(nc1[N+](=O)[O-])Cl)C	0
89083-22-7	O=C(Nc1nc(c(nc1[N+](=O)[O-])Cl)N2CCN(C)CC2)C	0.5
89145-29-9	O=C(OCC)NC2=NCC(c1cccc(F)c1)N2C	1.84
89145-31-3	O=C(OCC)NC2=NCC(c1ccc(F)cc1)N2C	1.9
89145-43-7	O=C(OCC)NC2=NCC(c1ccc(cc1)CO)N2C	0.84
89145-44-8	O=Cc1ccc(cc1)C2N(C(=NC2)NC(=O)OC)C	0.74
89145-54-0	O=C(OC)NC2=NCC(c1cc(ccc1Br)Br)N2C	2.77
89145-58-4	O=C(OC)NC2=NCC(c1cccc(c1)Cl)N2C	2.1
89164-73-8	O=C1c6cccc(OC)c6(C(=N)c2c(O)c5c(c(O)c12)CC(O)(CC5(OC4OC(C)C(O)C(N3CCOCC3)C4))C(O)CO)	1.43
89164-74-9	N#CC1N(CCOC1)C6CC(OC3c2c(O)c4C(=O)c5c(OC)cccc5(C(=O)c4(c(O)c2CC(O)(C(=O)C)C3)))OC(C)C6(O)	2.59
89164-77-2	N#CC1N(CCOC1)C6CC(OC3c2c(O)c4C(=O)c5c(OC)cccc5(C(=O)c4(c(O)c2CC(O)(C3)C(O)CO)))OC(C)C6(O)	1.56
89196-07-6	N#CC1N(CCOC1)C6CC(OC3c2c(O)c4C(=O)c5c(OC)cccc5(C(=O)c4(c(O)c2CC(O)(C(=O)CO)C3)))OC(C)C6(O)	1.98
89242-75-1	C#CCC(O)c1cnccc1	1.21
89242-77-3	C#CCC(O)(c1cnccc1)CC#C	1.29
89242-78-4	C#CCC(O)(c1cnccc1)Cc2ccccc2	1.87
89242-79-5	C#CCC(O)(c1cnccc1)C2CCCCC2	2.09
89242-81-9	C#CCC(O)(c1cnccc1)c2ccccc2	1.67
89242-82-0	Fc1ccc(cc1)C(O)(c2cnccc2)CC#C	1.78
89242-84-2	C#CCC(O)(c1cnccc1)c2ccc(cc2Cl)Cl	2.29
89242-85-3	C#CCC(O)(c1cnccc1)c2ccc(c(c2)Cl)Cl	2.42
89242-87-5	C#CCC(O)(c1cnccc1)c2ccc(cc2)C	1.83
89242-89-7	C#CCC(O)(c1cnccc1)c2ccc3ccccc3(c2)	2.14
89246-38-8	N#Cc1ccc(cc1)CC(=O)Nc2ccccc2	2.82
89246-39-9	O=C(Nc1ccc(cc1)C(=O)C)Cc2ccccc2	2.75
89246-40-2	N#Cc1cccc(c1)NC(=O)Cc2ccccc2	2.75
89529-99-7	O=C(N)c1ccc(N=NN(C)CCC)cc1	2.17
89530-00-7	O=C(N)c1ccc(N=NN(C)CCCCCC)cc1	3.69
89530-01-8	O=C(N)c1ccc(N=NN(C)CCCCCCC)cc1	4.2
89599-01-9	O=S(=O)(N)c1cccc(c1)Br	1.35
89674-85-1	C1=C(CC(C(C1Cl)Cl)Cl)Cl	3.63
89690-74-4	O=C(Nc1nc(NC(O)CC(O)CO)c(nc1[N+](=O)[O-])Cl)C	-0.66
89690-76-6	O=[N+]([O-])c1ncc(nc1)NC(CO)C(O)CO	-0.89
89770-25-2	O=C(c2ccnc1cc(ccc12)Cl)C	2.62
89770-26-3	O=[N+]([O-])c2cccc1c2(nccc1(N))	1.31
89770-27-4	O=C(Nc2ccnc1cc(ccc12)Cl)CC	2.73
89770-28-5	O=[N+]([O-])c2cccc1c2(nccc1(OC))	1.92
89770-29-6	O=S(=O)(c1ccc2ncccc2(c1))C	0.7
89770-30-9	O=S(=O)(c1ccccc1)c2ccc3ncccc3(c2)	2.57
89770-31-0	O=S(=O)(N)c1ccc2ncccc2(c1)	0.56
89770-32-1	n1cccc2ccc(cc12)N(C)C	2.71
89770-33-2	O=S(=O)(c1ccccc1)c3cccc2cccnc23	2.33
89770-34-3	n1ccnc2cc(OCC)ccc12	2.22
89770-35-4	n2c(nc(c1ccccc1)c3ccccc23)NC	3.58
89770-36-5	n1nc(OCCCC)ccc1	1.8
89770-37-6	O=C(c1nnc2ccccc2(c1))C	1.44
89770-38-7	O=C(OCC)c1nnc2cc(ccc2(c1))CC	2.31
89770-39-8	n2nc1ccc(cc1c(c2)C)Cl	1.96
89770-40-1	n2nc1cc(ccc1c(c2)C)Cl	1.98
89770-41-2	n2nc1c(cccc1C)c(N)c2	1.57
89789-53-7	O=C(c1ccc[nH]1)CCCC	2.42
89811-25-6	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCC(C)C	2.23
89843-47-0	O=[N+]([O-])c1ccc2[nH]cnc2(c1)	1.5
89892-78-4	C1(=C(C)SSC1=S)CCC	3.39
89893-97-0	O=C(O)COc1ccc(c(c1)I)Cl	3.1
89894-13-3	O=C(O)COc1ccc(c(c1)[N+](=O)[O-])Cl	1.85
89937-38-2	OC(C)CN(c1nnc(cc1)Nn2c(ccc2C)C)C	1.73
89937-39-3	O=C(N(c1nnc(cc1)N2CCOCC2)n3c(ccc3C)C)C	1.64
89937-40-6	n1nc(ccc1Nn2c(ccc2C)C)N3C(C)COCC3C	2.59
90037-19-7	O=C1C(O)=CC=CN1CC	0.2
90037-20-0	O=C1C(O)=CC=CN1CCC	0.69
90047-59-9	C=CCN2CCc1cccc(c1CC2)Cl	3.3
90110-78-4	O=C(Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-])C	0.56
90147-18-5	O=C(OCCC)C=Cc1oc(cc1)[N+](=O)[O-]	2.67
90147-19-6	O=C(OCCCC)C=Cc1oc(cc1)[N+](=O)[O-]	2.83
90147-21-0	O=C(OC(C)C)C=Cc1oc(cc1)[N+](=O)[O-]	2.64
90147-31-2	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCCC	1.86
90197-63-0	O=C1NC(=O)C(C(=O)N1)C(C)(C)C	0.28
90355-74-1	O=C1NC(=O)C(C)(CC)CC1	0.23
90426-03-2	O=C(Nc1ccc(cc1C)[N+](=O)[O-])c2cc(cc(c2(O))Cl)Cl	4.51
90426-05-4	O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)c2cc(cc(c2(O))Cl)Cl	5.08
90467-88-2	N#CN=[N+]([O-])C(C)(C)C	1.4
90467-89-3	N#CN=[N+]([O-])c1ncccc1	0.53
90507-19-0	ON=Cc1nnc(o1)c2ccccc2	2.03
90507-20-3	ON=Cc1nc(no1)c2ccccc2	2.72
90507-21-4	ON=Cc1nc(no1)C	0.47
90507-24-7	ON=C(c1nsnc1)SCCN(CC)CC	0.74
90597-22-1	O=C1N=C(N)C=CN1C2C=C(CO)C(O)C2(O)	-2.45
90656-45-4	O=C(O)c2ccc(cc2(Nc1ccc(cc1)Cl))Cl	4.97
90663-30-2	O=C(NCCCCN)c1ccccc1(OC)	0.58
90700-03-1	O=C(O)c2ccc(cc2(Nc1ccc(cc1)I))Cl	5.37
90873-90-8	O=C(Nc1ccccc1S(=O)(=O)N)C(C)C	0.97
90875-63-1	O=C(Nc1cc(ccc1S(=O)(=O)N)Cl)C(C)C	1.87
90914-81-1	O=C(Nc1ccc(c(c1)C)Br)C	2.8
90936-47-3	O(c1cc(cc(c1)Cl)Cl)[Si]23(OCCN(CCO2)CCO3)	1.22
90936-52-0	O(c1cccc(N)c1)[Si]23(OCCN(CCO2)CCO3)	-1.15
90936-53-1	O(c1ccc(cc1)CC)[Si]23(OCCN(CCO2)CCO3)	0.56
90955-56-9	O(c1cc(cc(c1)C)C)[Si]23(OCCN(CCO2)CCO3)	0.46
90982-32-4	O=C(OCC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(OC)cc(n2)Cl	2.5
91027-93-9	O=[N+]([O-])c1nc(n(c1Cl)C)C	0.34
91027-94-0	O=[N+]([O-])c1c(nc(n1C)C)Cl	0.87
91134-58-6	O=C(OCC(C)C)C=Cc1oc(cc1)[N+](=O)[O-]	3.14
91182-09-1	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCCCC	2.36
91350-72-0	O=C(OCCc2c[nH]c1ccccc12)N	1.69
91374-21-9	O=C2Nc1cccc(c1C2)CCN(CCC)CCC	2.7
91430-64-7	O=C1NC(=O)C(C(=O)N1)(CC=C)C(C)(C)C	1.64
91431-42-4	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)Cl)C	3.26
91445-76-0	O=C(O)CCC1=NS(=O)(=O)c2cc(ccc2(N1))Br	0.93
91551-85-8	O=C(O)CCC1=NS(=O)(=O)c2cc(ccc2(N1))Cl	0.69
91564-01-1	O=C(OCCCc1ccccc1)N(C)C	2.93
91595-86-7	N1=C(OC(C1)CN3CCN(c2ccccc2)CC3)N	0.85
91642-47-6	O=C(OCCCCC)C=Cc1oc(cc1)[N+](=O)[O-]	3.4
91814-09-4	O=C(Oc1c(OC)c(OC)c(OC(=O)C(C)(C)C)c2ccccc12)C(C)(C)C	5.69
91814-10-7	O=C(Oc2c(OC)c(OC)c(OC(=O)C)c1c2(cccc1Cl))C	3.16
91814-12-9	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(F)ccc12)C	2.75
91814-13-0	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)Br)C	3.39
91814-24-3	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2c(OC)cccc12)C	2.43
91814-29-8	N#Cc1cccc2c(OC(=O)C)c(OC)c(OC)c(OC(=O)C)c12	2.51
91814-30-1	N#Cc1ccc2c(OC(=O)C)c(OC)c(OC)c(OC(=O)C)c2(c1)	2.28
91814-31-2	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)NC(=O)C)C	2
91814-40-3	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(OC)ccc12)C	2.39
91814-42-5	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(ccc12)C)C	2.86
91814-56-1	O=C(Oc1c(OC)c(OC)c(OC(=O)CC)c2ccccc12)CC	3.44
91814-58-3	O=C(Oc1c(OC)c(OC)c(OC(=O)C(C)C)c2ccccc12)C(C)C	4.61
91833-49-7	n1cccc2c1OC(CN(C2=S)C)CCN(C)C	1.08
91937-67-6	N#CC(C#N)=Cc1oc(cc1)Cl	2.17
92287-70-2	O=C(NCC)c1oc2ccccc2(c1)	2.22
92598-81-7	O=C(OC(c1ccccc1)C)C(CC)C(CO)Cc2cncn2C	2.23
92598-82-8	O=C(OCc1ccccc1)C(CC)C(CO)Cc2cncn2C	1.97
92598-84-0	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)c3ccccc3	4.37
92598-86-2	O=C(OCCc1ccccc1)C(CC)C(CO)Cc2cncn2C	2.31
92598-89-5	O=C(OCc1ccc(cc1)Cl)C(CC)C(CO)Cc2cncn2C	2.69
92598-90-8	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)Cl)CC)c3ccccc3	4.9
92598-92-0	O=C(OCc1ccccc1C)C(CC)C(CO)Cc2cncn2C	2.42
92598-93-1	O=C(OCc1ccc(cc1)C)C(CC)C(CO)Cc2cncn2C	2.46
92598-94-2	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)C)CC)c3ccccc3	4.85
92598-95-3	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)C)CC)CCC	4.33
92598-97-5	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccc(cc2)C)CC)C	3.31
92598-99-7	O=C(OCc1ccc(cc1)C(C)(C)C)C(CC)C(CO)Cc2cncn2C	3.67
92622-07-6	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)Cc3ccccc3	4
92622-09-8	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)c3cccc(c3)Cl	5.08
92627-83-3	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)c3cnccc3	3.05
92712-47-5	n1nc(n[nH]1)CCCCCCC	2.01
92817-12-4	FC3CC2C4CCc1cc(O)ccc1C4(CCC2(C)C3(O)(C#C))	3.3
92854-81-4	O=C(Oc1ccc(cc1)N(C(=O)C(Cl)Cl)C)c2ccccc2	2.56
92897-88-6	N=1OC3COC(OCC3(C=1c2ccccc2))c4ccccc4	2.88
92901-23-0	O=C1C=CC4(C(=C1)CCC3C5CC(C)C(O)(C(=O)COC2OC(CO)C(O)C(O)C2(O))C5(C)(CC(O)C34(F)))(C)	0.49
92901-25-2	O=C4C=C3CCC2C5CCC(O)(C(=O)COC1OC(CO)C(O)C(O)C1(O))C5(C)(CC(O)C2C3(C)CC4)	0.15
92901-27-4	O=C1C=CC5(C(=C1)CCC4C6CCC(O)(C(=O)COC3OC(CO)C(OC2OC(CO)C(O)C(O)C2(O))C(O)C3(O))C6(C)(CC(O)C45))(C)	-0.56
92936-20-4	O(C)C(c1ccccc1)C(NC)C	1.96
93276-61-0	O=S(c3ccc(c1nc2NCCCn2(c1))c(OC)c3)C	0.63
93371-36-9	O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)C	2.78
93371-38-1	O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)CCC	3.75
93371-46-1	O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)c3ccc(OC)cc3	3.59
93371-50-7	O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)c3ccccc3(F)	3.77
93371-51-8	O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)c3cccc(F)c3	3.31
93371-55-2	O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)(C)C	3.25
93371-56-3	O=C(O)C(c1ccc(cc1)c2ccccc2)C(O)C(C)C	3.84
93414-39-2	O=Cc2ccc(OCCOC(=O)C=Cc1ccccc1(OC))c(OC)c2	3.65
93414-41-6	O=Cc2ccc(OCCOC(=O)c1ccccc1Cl)c(OC)c2	3.21
93414-42-7	O=Cc2ccc(OCCOC(=O)c1cccc(c1)Cl)c(OC)c2	3.67
93414-43-8	O=Cc2ccc(OCCOC(=O)c1ccc(cc1)Cl)c(OC)c2	3.71
93414-45-0	O=C(OCCOc1ccc(C=NO)cc1(OC))c2ccc(cc2)Cl	3.92
93414-47-2	O=C(OCCOc1ccc(C=NO)cc1(OC))c2cccc(c2)Cl	3.94
93414-50-7	ON=Cc1ccc(OCCO)c(OC)c1	0.82
93414-55-2	O=C(OCCOc1ccc(C=NOCC(=O)OCC)cc1(OC))c2cc(OC)c(OC)c(OC)c2	3.26
93414-58-5	O=C(NCC1CN(CC=C)CC1)c2cc3[nH]nnc3(cc2(OC))	0.95
93414-59-6	O=C(NCCN(CC)CC)c1cc(F)c(N)cc1(OC)	2.28
93414-60-9	O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))I	3.09
93414-62-1	O=C(NCC1CN(CC)CC1)c2cc(ccc2(OC))S(=O)(=O)N	0.64
93414-63-2	O=C(NCC1CN(CC)CC1)c2cc(ccc2(OC))S(=O)(=O)CC	1.31
93414-64-3	O=C(NCC1CN(CC)CC1)c2cc(c(N)cc2(OC))S(=O)(=O)N	0.66
93414-65-4	O=C(NCCN(CC)CC)c1cc(c(N)cc1(OC))S(=O)(=O)CC	1.7
93450-05-6	O=C(OCCN1CCCCC1)Nc2ccccc2COCCCCC	4.42
93450-23-8	O=C(OCCN1CCCCC1)Nc2cccc(c2)COCCCC	3.73
93450-24-9	O=C(OCCN1CCCCC1)Nc2cccc(c2)COCCCCC	4.2
93450-34-1	O=C(OCCN1CCCCC1)Nc2ccccc2COCCCC	3.94
93476-51-8	O=C2N(c1cccc(c1)C)C(=O)CC2	0.57
93484-23-2	N=C(N)NN=C(C)CCCCCC	2.08
93677-64-6	O=C(OCC(C)C)N(CC)CC	2.82
94011-82-2	N#Cc2cc(nnc2(NCCN1CCOCC1))c3ccccc3	1.89
94050-52-9	O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(cc2)CON=C(c3ccc(cc3)Cl)C4CC4	6.94
94089-22-2	n1ccnc(c1OC(C)C)C	2.24
94339-59-0	O(c1ccc(c(c1)Cl)Cl)c2cc(c(c(c2)Cl)Cl)Cl	6.83
94339-60-3	O(c1cc(c(c(c1)Cl)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl	6.99
94361-06-5	OC(c1ccc(cc1)Cl)(Cn2ncnc2)C(C)C3CC3	2.9
94452-21-8	O=C1NC=C(F)C(=O)N1C(=O)CCC	0.67
94470-73-2	O=C(OC)Nc1nonc1C	0.42
94497-46-8	O=C(Nc1ccc(c(c1)Cl)Cl)COC	2.77
94563-11-8	N#Cc1ccc(cc1)NC(=O)OC	1.82
94593-91-6	O=C(Nc1nc(nc(n1)OC)OC)NS(=O)(=O)c2ccccc2(OCCOC)	2.04
94641-10-8	O=[N+]([O-])c1ccc2nc(sc2(c1))S(=O)(=O)N	1.36
94641-11-9	O=S(=O)(N)c2nc1ccc(N)cc1s2	0.52
94723-89-4	O=C(C=Cc1ccc(cc1)CC)C	3.26
94779-66-5	O=C1NC(=O)C(C(=O)N1C)(C2=CCCC2)CC=C	1.89
94789-37-4	N#Cc1nccc(n1)OC	0.86
94921-29-6	Oc1cccc2c1CCC3N(CCOC23)CCC	2.22
95215-85-3	O=C1C=CN(C(=C1(O))C)CCCCO	-0.74
95261-40-8	O=C(OCC(C)C)Nc1ccc(OCC)c(OCC)c1	3.36
95261-60-2	O=C(OCCOC)Nc1ccc(OCC)c(OCC)c1	2.27
95261-65-7	O=C(OCc1ccccc1)Nc2ccc(OCC)c(OCC)c2	3.29
95266-40-3	O=C(OCC)C1CC(=O)C(C(=O)C1)=C(O)C2CC2	1.6
95333-49-6	Fc1cc(ccc1(O))CN2C=CNC2=S	1.12
95333-60-1	Fc1cc(cc(F)c1(O))CN2C=CNC2=S	1.08
95333-64-5	Oc1ccc(cc1)CN2C=CNC2=S	1.02
95333-80-5	Fc1ccccc1CN2C=CNC2=S	1.77
95384-52-4	O=C(Nc1cccc(c1)I)Cc2ccccc2	3.91
95384-53-5	O=C(Nc1cccc(c1)NC)Cc2ccccc2	2.31
95384-54-6	O=C(Nc1cccc(c1)NCC)Cc2ccccc2	2.59
95384-55-7	O=C(Oc1cccc(c1)NC(=O)Cc2ccccc2)C	2.37
95384-56-8	O=C(Nc1cccc(OS(=O)(=O)C)c1)Cc2ccccc2	2.32
95384-57-9	O=C(Nc1ccc(O)cc1)Cc2ccccc2	1.82
95384-58-0	O=C(Nc1ccccc1(O))Cc2ccccc2	2.4
95384-59-1	O=C(Nc1ccccc1(N))Cc2ccccc2	1.45
95384-60-4	O=C(Nc1ccccc1(OC))Cc2ccccc2	2.68
95440-71-4	O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CCC2(OC(=O)C)(C(=O)CO)))))(C)	2.43
95457-68-4	O=[N+]([O-])c1oc(cc1)C=CS(=O)(=O)c2ccccc2	1.88
95465-99-9	O=P(OCC)(SC(C)CC)SC(C)CC	3.9
95549-92-1	O=C(N3CCN(c1nc(N)c2cc(OC)c(OC)cc2(n1))CC3)C(OC)C	1.14
95579-17-2	n1oc2c(c1OC)CNCC2	-0.04
95579-22-9	n1oc2c(c1OC)CN(C)CC2	0.4
95599-36-3	O=S(=O)(N)c2nc1ccc(OCCO)cc1s2	0.59
95635-46-4	O=C(Nc1cc(c(cc1(F))Br)[N+](=O)[O-])C	2.11
95715-61-0	O=C(N(CC)CC)CC1CCCCC1	3.12
95796-50-2	O=C1C=CC3(C(=C1)CCC2C4CC(C)C(OC(=O)CC)(C(=O)CCl)C4(C)(CC(O)C23))(C)	3.34
95796-51-3	O=C1C=CC4(C(=C1)CCC3C4(C(=O)CC2(C)(C3(CC(C)C2(OC(=O)CC)(C(=O)CCl)))))(C)	3.3
95853-68-2	FC(F)(F)C(C)CCO	1.37
96000-43-0	O=C(OCc2c1C(=O)C(OC)=CC(=O)c1n3c2C(OC(=O)C)CC3)NC	1.19
96000-44-1	O=C(OCc2c1C(=O)C(OC)=C(C(=O)c1n3c2C(OC(=O)C)CC3)Cl)NC	2.08
96000-46-3	O=C(OCc2c1C(=O)C(OC)=C(C(=O)c1n3c2C(OC(=O)C)CC3)C)NC	2.39
96000-47-4	O=C(OCc2c1C(=O)C(=CC(=O)c1n3c2C(OC(=O)C)CC3)N4CCCC4)NC	1.4
96000-48-5	O=C(OCc2c1C(=O)C(N)=C(C(=O)c1n3c2C(OC(=O)C)CC3)Br)NC	1.15
96027-93-9	O=C(OCCNC(=O)C(F)(F)F)c1ccccc1	2.25
96107-02-7	O=C(C=Cc1ccc(OC)cc1)C(F)(F)F	3.33
96237-91-1	O=C(N)c1c(cccc1Br)Br	1
96258-78-5	O=[N+]([O-])c1ncn(c1I)CC(O)COC	0.41
96258-79-6	O=[N+]([O-])c1c(ncn1CC(O)COC)I	0.89
96258-80-9	O=C(OCC)Cn1cnc(c1I)[N+](=O)[O-]	0.57
96258-81-0	O=C(OCC)Cn1cnc(c1[N+](=O)[O-])I	0.93
96258-83-2	O=C(NCc1cnccc1)Cc2nc(c([nH]2)[N+](=O)[O-])I	0.88
96327-32-1	O=C(c1cccc(c1)C)c2ccc3n2CCC3(C(=O)O)	3.23
96327-34-3	O=CC1=CC=C3N(c2cc(ccc12)Br)CCC3(C(=O)O)	3.6
96327-38-7	O=C(O)C3c2ccc(C(=O)c1ccc(OC(C)C)cc1)n2CC3	3.38
96327-39-8	O=C(O)C3c2ccc(C(=O)c1ccc(OCC=C)cc1)n2CC3	3.48
96327-51-4	O=C(O)C3c2ccc(C(=O)c1cccc(c1)C(F)(F)F)n2CC3	3.69
96327-52-5	O=C(O)C3c2ccc(C(=O)c1ccc(cc1)C(F)(F)F)n2CC3	3.71
96327-56-9	O=C(O)C3c2ccc(C(=O)c1c(F)cccc1(F))n2CC3	2.47
96327-57-0	O=C(O)C3c2ccc(C(=O)c1ccc(F)cc1(F))n2CC3	2.59
96327-58-1	O=C(c1ccc(cc1Cl)Cl)c2ccc3n2CCC3(C(=O)O)	3.56
96327-60-5	O=C(O)C3c2ccc(C(=O)c1c(F)c(F)c(F)c(F)c1(F))n2CC3	3.24
96327-61-6	O=C(c1ccc(cc1)c2ccccc2)c3ccc4n3CCC4(C(=O)O)	4.27
96327-63-8	O=C(O)C3c2ccc(C(=O)C1CCC1)n2CC3	2.41
96327-65-0	O=C(O)C3c2ccc(C(=O)Cc1ccccc1)n2CC3	2.52
96337-67-6	N#Cc1cccc(c1)NC(=O)N(OC)C	1.33
96358-98-4	O=C(OCC(=C)C)C1C(C=C(C)C)C1(C)(C)	4.89
96382-70-6	N#CC(C#N)=NNc1cccc(O)c1	2.28
96445-34-0	O=C2c1[nH]c(nc1N(C(=O)N2CCC)CCC)c3ccccc3(N)	3.54
96448-66-7	O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nnnn1C)CSC3N4(C(=O)C3(NC(=O)Cc2nc(N)sc2))	1.36
96452-92-5	O=C(OCOC(=O)C(C)(C)C)C4=C(CSc1nncs1)CSC3N4(C(=O)C3(NC(=O)Cn2nnnc2))	1.45
96474-17-8	O=S(=O)(N)c2nc1c(cc(cc1s2)Cl)Cl	2.6
96474-18-9	O=S(=O)(N)c3nc2ccc(OCc1ccccc1)cc2s3	3.18
96474-19-0	O=C(Nc1ccc2nc(sc2(c1))S(=O)(=O)N)C	0.86
96489-71-3	O=C1C(=C(C=NN1C(C)(C)C)SCc2ccc(cc2)C(C)(C)C)Cl	6.37
96491-05-3	O=C(N(c1c(cccc1C)C)Cc2c(OC)ccs2)CCl	3.53
96662-66-7	O=C(NC1CC(NC(C)(C)C1)(C)C)NP(=O)(N2CC2)N3CC3	-0.8
96841-03-1	N#CC(=Cc1oc(cc1)Cl)C(=O)OC	2.4
96850-25-8	Oc1ccccc1CCCCCCCCCCCCC	8.61
96860-23-0	n1ccccc1C(=NNC(NNC(N(C)C)=S)=S)C	1.25
96914-10-2	O=C(OCC)CC(CO)C(c1cncn1C)CC	0.73
96914-11-3	O=C(OCCCCCC)C(CC)C(CO)Cc1cncn1C	2.71
97055-06-6	O=C(Nc1c(cccc1CC)C)C	1.41
97141-29-2	O=C(Nc1cc(ccc1S(=O)(=O)N)C)C(C)C	1.45
97141-30-5	O=C(Nc1cc(ccc1S(=O)(=O)N)C(F)(F)F)C(C)C	2.45
97141-31-6	O=C(Nc1cc(OC)ccc1S(=O)(=O)N)C(C)C	1.37
97141-32-7	O=C(Nc1cc(ccc1S(=O)(=O)N)C)C(CC)CC	2.13
97141-33-8	O=C(Nc1cc(ccc1S(=O)(=O)N)C(F)(F)F)C(CC)CC	3.06
97141-34-9	O=C(Nc1cc(OC)ccc1S(=O)(=O)N)C(CC)CC	2.01
97141-35-0	O=C(Nc1cc(ccc1S(=O)(=O)N)Cl)C(CC)CC	2.55
97183-44-3	N(NC(=Nc1ccccc1)N)=C(c2ccccc2)C	2.18
97183-45-4	N(NC(=Nc1ccccc1)N)=C(CCC)CCC	2.33
97183-47-6	N(NC(=Nc1ccccc1)N)=C(C)CCCC	2.05
97183-49-8	N=C(N)NN=C(c1ccccc1)c2cccs2	1.96
97183-51-2	N=C(N)NN=C(CCC)CCC	1.73
97383-42-1	O=C(OC)C1(CC1)S(=O)(=O)c2ccccc2	1.43
97454-00-7	O=C(NCC=C)CN(C(=O)C(Cl)Cl)CC=C	1
97461-38-6	O=C(OC(C)CC)C=Cc1oc(cc1)[N+](=O)[O-]	3.09
97461-39-7	O=C(OC(C)(C)C)C=Cc1oc(cc1)[N+](=O)[O-]	3.06
97461-40-0	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NC(C)CC	2.28
97461-41-1	O=C(C=Cc1oc(cc1)[N+](=O)[O-])NCC(C)(C)C	2.61
97713-49-0	O=C(O)c2ccc(cc2(Nc1cccc(c1)Br))Cl	5.16
97871-45-9	O=C(C=C(c1ccccc1)Br)NC(C)CC	3.11
97871-47-1	O=C(C=C(c1ccccc1)Cl)NC(C)CC	3.52
97871-48-2	O=C(NC(C)CC)C(=Cc1ccccc1)Cl	2.75
97871-49-3	O=C(NC(C)CC)C(F)=Cc1ccccc1	3.1
97871-50-6	O=C(C=Cc1ccccc1)NC(C)CC	2.85
97871-51-7	O=C(NC(C)CC)C(=Cc1ccccc1)C	2.88
97871-52-8	O=C(C=C(c1ccccc1)SC)NC(C)CC	3.03
97871-53-9	O=C(NC(C)CC)C(OC)=Cc1ccccc1	2.86
97871-54-0	O=C(NC(C)CC)C(=Cc1ccccc1)NC(=O)C	1.76
97871-55-1	O=C(NC(C)CC)C(OCC)=Cc1ccccc1	3.2
97871-56-2	O=C(NC(C)CC)C(=Cc1ccccc1)SCC	3.4
97871-57-3	O=C(NC(C)CC)C(=Cc1ccccc1)CCCC	4.07
97871-59-5	O=C(NC(C)CC)C(=Cc1ccccc1)Sc2ccccc2	4.36
97871-60-8	O=C(NC(=Cc1ccccc1)C(=O)NC(C)CC)c2ccccc2	2.47
97871-63-1	O=C(C=C(c1ccc(cc1)Cl)CC)NC(C)CC	4.38
97871-64-2	O=C(C=C(c1ccc(cc1)Cl)CCC)NC(C)CC	4.87
97871-65-3	O=C(C=C(c1ccc(cc1)Cl)C(C)C)NC(C)CC	4.03
97871-66-4	O=C(C=C(c1ccccc1)c2ccc(cc2)Cl)NC(C)CC	4.46
97871-67-5	O=C(C=C(c1ccc(cc1)Cl)Cl)NC(C)CC	3.61
97871-68-6	O=C(C=C(c1ccc(cc1)Cl)Br)NC(C)CC	3.9
97871-69-7	O=C(C=C(N)c1ccc(cc1)Cl)NC(C)CC	2.94
97874-69-6	N#CC(C(=O)OCCOCC)=C(NCc1ccc(cc1)[N+](=O)[O-])CC	2.64
97886-45-8	O=C(c1c(nc(c(C(=O)SC)c1CC(C)C)C(F)(F)F)C(F)F)SC	4.75
98006-91-8	N#Cc1ncc(nc1)C	0.26
98079-47-1	O=C(O)C1=CN(c2cc(c(F)cc2(C1(=O)))N3CCNC(C)C3)CC	0.34
98079-51-7	O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCNC(C)C3)CC	-0.3
98087-97-9	n1ccc(cc1NCCCc2ccccc2)c3nc(n[nH]3)N	3.05
98106-17-3	O=C(O)C2=CN(c1ccc(F)cc1)c3cc(c(F)cc3(C2(=O)))N4CCN(C)CC4	0.89
98134-74-8	n1ncc(OCC)cc1	0.2
98154-93-9	O=C(OC(C)Cc1ccccc1)N(C)C	2.6
98154-94-0	O=C(OCCc2c[nH]c1ccccc12)N(C)C	2.54
98154-95-1	O=C(OCCc2c[nH]c1ccccc12)N(CC)CC	3.3
98154-96-2	O=C(OCCCc1cnccc1)N	0.46
98154-97-3	O=C(OCCCc1cnccc1)N(C)C	1.44
98154-98-4	O=C(OCCCc1ncccc1)N(CC)CC	2.36
98154-99-5	O=C(OCC(CC)CC)N(C)C	2.87
98155-00-1	O=C(OCC(CC)CC)N(CC)CC	3.6
98183-16-5	O=C(OCCc1ccccc1)N(C)C	2.4
98183-17-6	O=C(OCCc1ccccc1)N(CC)CC	3.2
98204-04-7	O=C(OCn2ncc1C(=O)NC=Nc12)C(N)c3ccccc3	-0.15
98204-05-8	O=C(OCn2ncc1C(=O)NC=Nc12)C(N)Cc3ccccc3	0.4
98204-06-9	O=C(OCn2ncc1C(=O)NC=Nc12)C(N)CC(C)C	0.19
98204-09-2	O=C(OCn2ncc1C(=O)NC=Nc12)CN(CCC)CCC	1.27
98204-10-5	O=C2NC=Nc1c2(cnn1COC(=O)C(N(CC)CC)C)	0.72
98270-76-9	N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NCCCN(CC)CC)C(=CC=34)Nc5ccc(cc5)Cl	8.05
98319-26-7	O=C1C=CC4(C)(C(N1)CCC2C4(CCC3(C)(C(C(=O)NC(C)(C)C)CCC23)))	3.03
98369-49-4	O=C(OCc1ccccc1)c2ccccc2SC3NC(=O)C3	2.62
98378-56-4	O=C(NCCCCCC)c1ccc(O)c(O)c1	2.71
98417-00-6	O=C(c1c(no[n+]1([O-]))C)C	0.98
98417-01-7	O=C(c1no[n+]([O-])c1C)C	0.8
98486-60-3	O=C(N(CCC)C(C)C)C	1.48
98547-26-3	O=C(NCC)c1cccs1	1.18
98730-04-2	O=C(N1c2ccccc2(OCC1C))C(Cl)Cl	2.7
98736-45-9	O=NN(C)Cc1cccc(OC)c1	1.6
98736-46-0	O=NN(C)Cc1cccc(c1)Cl	1.46
98736-47-1	O=NN(C)Cc1cccc(c1)Br	1.65
98736-48-2	O=NN(C)Cc1cccc(c1)C(F)(F)F	1.99
98736-50-6	O=NN(C)Cc1ccc(cc1)Br	1.57
98736-51-7	O=NN(C)Cc1ccc(cc1)C(=O)OC	1.21
98736-52-8	O=NN(C)Cc1cccc(c1)[N+](=O)[O-]	1.17
98827-15-7	O=C2NC=Nc1nn(cc12)COC(=O)C(C)(C)C	0.79
98827-16-8	O=C(OCn2ncc1C(=O)N(C=Nc12)COC(=O)C(C)(C)C)C(C)(C)C	2.5
98827-19-1	O=C(OCn2ncc1C(=O)N(C=Nc12)COC(=O)CCC)CCC	1.82
98827-21-5	O=C(OCn2ncc1C(=O)NC=Nc12)CCC	0.6
98827-22-6	O=C(OCn1nc2N=CNC(=O)c2(c1))CCC	0.33
98846-65-2	O=C(OCn2ncc1C(=O)NC=Nc12)c3ccccc3	1.5
98846-66-3	O=C(OCn2ncc1C(=O)NC=Nc12)c3cnccc3	0.27
98886-44-3	O=C1N(CCS1)P(=O)(OCC)SC(C)CC	1.68
99027-00-6	O=C(N)C(NC(=O)C(NC(=O)C)Cc1ccc(O)cc1)C(C)C	-0.2
99035-19-5	O=C1N=C(NC1)NCCSCc2[nH]cnc2C	-0.5
99035-20-8	O=C2C=CNC(NCCSCc1[nH]cnc1C)=C2[N+](=O)[O-]	-0.2
99035-21-9	O=C2C(=O)C(NCCSCc1[nH]cnc1C)=C2(NC)	-0.08
99069-47-3	O=C(N)CC(n2nnc1ccccc12)C	0.75
99081-87-5	[O-][N+](=Cc1c(cccc1Cl)Cl)c2ccccc2	2.16
99081-88-6	[O-][N+](=Cc1ccc(cc1)C(C)C)c2ccccc2	3.37
99167-62-1	O=C1NC(NC(=O)C1(CCC)CCC)=S	2.66
99167-69-8	O=C1NC(=O)C(C(=O)N1)(C(C)C)C(C)C	1.56
99310-47-1	O=C(Nc1ccc(c(c1Cl)Cl)Cl)C	2.88
99414-56-9	O=C(O)CC(C)CC(=O)c1ccc(OC)c(c1)Cl	2.6
99481-58-0	O=C(c1ccc(cc1)Br)C(=NO)SCCC	3.38
99607-70-2	O=C(OC(C)CCCCC)COc1ccc(c2cccnc12)Cl	5.03
99726-76-8	O=C(O)C1=CN(c2c(F)c(c(F)cc2(C1(=O)))N3CCNCC3)CC	-0.57
99764-47-3	ON=Cc1nc(no1)C(C)(C)C	2.15
99854-42-9	O=C(Oc1ccc(cc1)N(C(=O)C(Cl)Cl)C)C	1.56
99877-03-9	O=C(OCC(O)C)C(N)Cc1ccc(O)c(O)c1	-0.49
99877-04-0	O=C(OC(C)COC)C(N)Cc1ccc(O)c(O)c1	0.08
99877-05-1	O=C(OC1CCCCC1)C(N)Cc2ccc(O)c(O)c2	1.79
99877-06-2	O=C(OCC1OCCCC1)C(N)Cc2ccc(O)c(O)c2	0.47
99877-08-4	O=C(OCCc1ccccc1)C(N)Cc2ccc(O)c(O)c2	1.76
99877-09-5	O=C(OCCc1ccc(cc1)Cl)C(N)Cc2ccc(O)c(O)c2	2.33
99877-10-8	O=C(OCCc1ccc(OC)cc1)C(N)Cc2ccc(O)c(O)c2	1.69
99877-11-9	O=C(OCCOc1ccccc1)C(N)Cc2ccc(O)c(O)c2	1.51
100134-47-2	O=C(NCCC)c1cc2ccccc2([nH]1)	2.8
100199-27-7	OC3(c1ccc(cc1)Cl)(CCCCCC3(n2ncnc2))	3.28
100199-35-7	OC3(c1ccccc1Cl)(CCCCC3(n2ncnc2))	2.68
100199-38-0	OC3(c1cc(ccc1Cl)Cl)(CCCCC3(n2ncnc2))	3.24
100400-78-0	O=C1N(C(=O)CCCCCC)CCC1	3.04
100515-03-5	n1cc(c(nc1N)N)Cc2cc(OCC)cc(OCC)c2	2.52
100640-32-2	O=C(NCCN2CCN(c1ccccc1(OC))CC2)C3CCCCC3	2.8
100668-10-8	O=C(C=Cc1ccc(O)c(O)c1)NCc2ccccc2	2.48
100668-11-9	O=C(C=Cc1ccc(O)c(O)c1)NCCCCCC	3.37
100668-21-1	Oc1ccc(C=CCCCC)cc1(O)	3.82
100754-93-6	O=C(O)Cc2ccccc2(Nc1c(F)cccc1Cl)	3.8
100853-65-4	O=P(NN=Cc1ccc(cc1)Cl)(N2CC2)N3CC3	0.13
100853-66-5	O=P(NN=Cc1ccccc1)(N2CC2)N3CC3	0.48
100853-67-6	O=P(NN=Cc1ccc(OC)cc1)(N2CC2)N3CC3	0.42
100853-68-7	O=[N+]([O-])c3ccc(C=NNP(=O)(N1CC1)N2CC2)cc3	0.45
100853-69-8	O=P(N(N=Cc1ccccc1)C)(N2CC2)N3CC3	0.51
100853-70-1	O=P(N(N=Cc1ccc(F)cc1)C)(N2CC2)N3CC3	0.48
100853-71-2	O=P(N(N=Cc1ccc(cc1)Br)C)(N2CC2)N3CC3	0.31
100853-72-3	O=P(N(N=Cc1ccc(OC)cc1)C)(N2CC2)N3CC3	0.47
100853-73-4	O=[N+]([O-])c3ccc(C=NN(C)P(=O)(N1CC1)N2CC2)cc3	0.51
100853-74-5	O=P(N(N=Cc1ccccc1)c2ccccc2)(N3CC3)N4CC4	0.56
100853-75-6	O=P(N(N=Cc1ccc(F)cc1)c2ccccc2)(N3CC3)N4CC4	0.56
100853-76-7	O=P(N(N=Cc1ccc(OC)cc1)c2ccccc2)(N3CC3)N4CC4	0.57
100853-77-8	O=[N+]([O-])c4ccc(C=NN(c1ccccc1)P(=O)(N2CC2)N3CC3)cc4	0.57
100853-78-9	O=[N+]([O-])c1ccc(cc1)N(N=Cc2ccccc2)P(=O)(N3CC3)N4CC4	0.57
100853-79-0	O=P(NN=C(C)C)(N1CC1)N2CC2	0.45
100853-80-3	O=P(N(N=C(C)C)C)(N1CC1)N2CC2	0.51
100853-81-4	O=P(N(N=C(C)C)c1ccccc1)(N2CC2)N3CC3	0.57
100853-82-5	O=P(N(N=Cc1ccc(cc1)Cl)c2ccccc2)(N3CC3)N4CC4	0.35
100853-83-6	O=P(NN=Cc1ccc(F)cc1)(N2CC2)N3CC3	0.45
100866-99-7	O=C(c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2)C	1.67
101048-47-9	N#Cc1ccc(C=CC(=O)C(F)(F)F)cc1	2.42
101048-56-0	N#Cc1cccc(C=CC(=O)C(F)(F)F)c1	2.45
101054-93-7	FC(F)(F)CC(O)C	0.71
101063-92-7	O=C(O)CCC1=NS(=O)(=O)c2ccc(cc2(N1))Cl	0.72
101063-93-8	O=C(O)CCC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl	1.04
101063-94-9	O=C(O)CCC1=NS(=O)(=O)c2cc(c(cc2(N1))Cl)Cl	1.5
101063-95-0	O=C(O)CCC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br	1.35
101063-96-1	O=C(O)CCC1=NS(=O)(=O)c2ccc(cc2(N1))C	0.16
101063-97-2	O=C(O)CCC1=NS(=O)(=O)c2ccc(OC)cc2(N1)	0.18
101063-98-3	O=C(O)CCC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F	1.3
101063-99-4	O=C(O)CCCC1=NS(=O)(=O)c2ccc(cc2(N1))Cl	0.83
101064-00-0	O=C(O)CCCC1=NS(=O)(=O)c2cc(ccc2(N1))Cl	0.83
101064-01-1	O=C(O)CCCC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl	1.22
101064-02-2	O=C(O)CCCC1=NS(=O)(=O)c2cc(c(cc2(N1))Cl)Cl	1.8
101064-03-3	O=C(O)CCCC1=NS(=O)(=O)c2cc(ccc2(N1))Br	1.02
101064-04-4	O=C(O)CCCC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br	1.51
101064-05-5	O=C(O)CCCC1=NS(=O)(=O)c2ccc(cc2(N1))C	0.33
101064-06-6	O=C(O)CCCC1=NS(=O)(=O)c2ccc(OC)cc2(N1)	0.12
101064-07-7	O=C(O)CCCC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F	1.24
101080-58-4	O=C(N)c1c(cccc1Cl)C	0.89
101126-53-8	O=C2CCCCC2(Oc1cc(c(OCCN(C)C)cc1C)C(C)C)	3.63
101126-54-9	O=C2c3ccccc3(C(=O)C(CNCCOc1cc(c(O)cc1C(C)C)C)C2)	4.25
101126-55-0	O=C(Oc1ccc(OCCN(C)C)cc1C)C	1.64
101250-97-9	O=[N+]([O-])N=C(NC)NC	-0.7
101347-40-4	O=P(OCCOCCOCC)(N1CC1)N2CC2	0.1
101347-42-6	O(CC)CCOCCOP(N1CC1)(N2CC2)=S	0.38
101398-30-5	N#CC(C#N)=NNc1ccccc1Br	3.11
101398-31-6	N#CC(C#N)=NNc1ccccc1C(F)(F)F	4.2
101398-33-8	N#CC(C#N)=NNc1cc(ccc1C)C	3.08
101421-55-0	O=C(C=C)NCCCN(CCO)CCO	-0.6
101533-57-7	N#Cc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2	1.63
101533-58-8	O=C(c1ccc(cc1)S(=O)(=O)c2ccc(N)cc2)N(CC)CC	1.44
101626-70-4	n1c(N)sc2c1CCN(CC=C)CC2	1.48
101705-35-5	O=C(O)CCCCOc1cccc2ccccc12	4
101705-36-6	O=C(O)CCCCCOc1cccc2ccccc12	4.5
101708-63-8	O=C1NC(CC1)C2CCCN(=O)C2	-1.01
101820-62-6	O=C(N)c1ccccc1(NCC(O)CO)	-0.8
101820-63-7	O=C(N)c1ccccc1(NCC(O)C)	0.62
101820-64-8	O=C(N)c1ccccc1(NCCOCCCC)	2.27
101820-65-9	O=C(N)c1cc(ccc1(NCCOCCCC))Cl	2.99
101820-66-0	O=C(N)c2ccccc2(NCCOc1ccccc1C)	2.94
101820-68-2	O=C(N)c1cc(ccc1(NCCO))Cl	1.26
101870-22-8	n1ccccc1OCCC	2.38
101881-19-0	O=C(OC)C1CC(=O)N(CCCCCCCCCCCC)C1	4
101903-30-4	O=C(OCCCC=C)C(N(C(=O)n1cncc1)Cc2occc2)CC	3
102089-65-6	O=C(Nc1c(cccc1C)C)CCCN	0.71
102089-66-7	O=C(Nc1c(cccc1C)C)CCCCN	1.02
102089-67-8	O=C(Nc1c(cccc1C)C)CCCCCN	1.29
102089-68-9	O=C(Nc1c(cccc1C)C)CCC(N)C	1.08
102089-69-0	O=C(Nc1c(cccc1C)C)CCCCCN(CC)CC	2.95
102151-07-5	OC(COc1ccc(cc1)c2nc(c[nH]2)c3cccs3)CNCCC	2.84
102151-09-7	OC(COc1ccc(cc1)c2nc(c[nH]2)c3cccs3)CNCCOCC	2.25
102151-10-0	OC(COc1ccc(cc1)c2nc(c[nH]2)c3cccs3)CNCCc4ccncc4	2.25
102151-13-3	O=C(NCCNCC(O)COc1ccc(cc1)c2nc(c[nH]2)C)NCCCC	1.24
102151-23-5	OC(COc1ccc(cc1)COCc2ncc[nH]2)CNCCc3ccc(OC)c(OC)c3	1.29
102152-14-7	OC(COc1ccc(cc1(OC))c2nc(c[nH]2)C)CNCCc3ccc(OC)c(OC)c3	1.89
102152-21-6	O=C(c1[nH]c(nc1C)c3ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc3)C	2.14
102152-24-9	OC(COc1ccc(cc1)c2nc(c[nH]2)CCOC)CNCCc3ccc(OC)c(OC)c3	2.06
102152-27-2	OC(COc1ccc(cc1)c2nc(c[nH]2)Cl)CNCCc3ccc(OC)c(OC)c3	2.4
102152-28-3	O=C(OCC)c1nc([nH]c1)c3ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc3	2.3
102262-55-5	N=C5C=C3C(=Nc1ccccc1N3(c2ccc(cc2)Cl))C=C5(Nc4ccc(cc4)Cl)	6.47
102273-19-8	O=C(OCOc2ccccc2(C(=O)NCN1CCOCC1))C	0.27
102273-20-1	O=C(OCOc2ccccc2(C(=O)NCN1CCOCC1))CCC	1.34
102273-21-2	O=C(OCOc2ccccc2(C(=O)NCN1CCOCC1))C(C)(C)C	1.81
102273-25-6	O=C(OCOc1ccccc1(C(=O)N))C	0.52
102281-28-7	OC(COc1ccc(cc1)c2nc(c[nH]2)COC)CNCCc3ccc(OC)c(OC)c3	1.71
102361-46-6	O=S(c3ccc(c1nc2n(c1)CCNC2(OC))c(OC)c3)C	1.49
102361-56-8	O=C(N)c3ccc(c1nc2NCCCn2(c1))c(OC)c3	0.7
102362-14-1	O=S(c3ccc(c1nc2n(c1)CCNC2)c(OC)c3)C	1.11
102408-26-4	n1cccc3c1ccc2c3(nc(NC)n2C)	1.82
102408-27-5	n1cccc3c1ccc2c3(nc(n2C)N(C)C)	2.28
102417-86-7	c1ccc(c(c1)C2=CCN(C)CC2)C	3.1
102587-48-4	O=C(Nc1cccc(c1)Cc2ccccc2)N(C)C	2.83
102587-49-5	O=C(Nc1cccc(c1)CCc2ccccc2)N(C)C	3.21
102587-50-8	n1c(nc(nc1NC2CCC2)Cl)NCC	2.77
102587-54-2	n1c(nc(nc1NC(C)CCCCC)Cl)NCC	4.74
102626-89-1	O=C(Nc1nonc1C)NC	0.3
102632-22-4	O=C(Oc1c(OC)c(OC)c(OC(=O)C)c2cc(c(cc12)C)C)C	3.14
103066-37-1	O=C2N(C(=O)C3C1C=CC(C1)C23)CCCCN5CCN(c4ncccn4)CC5	1.36
103188-47-2	O=C(C=Cc1ccc(O)c(O)c1)NCCc2ccccc2	2.72
103360-35-6	n1cc(c(nc1N)N)Cc2cc(ccc2(OC))I	2.7
103361-09-7	O=C1C4=C(C(=O)N1c3cc2c(OCC(=O)N2CC#C)cc3(F))CCCC4	2.55
103426-94-4	c2c1c(c(c(cc1Cl)Cl)Cl)c(c(c2Cl)Cl)Cl	7.5
103426-96-6	c1c2c(cc(c1Cl)Cl)c(c(c(c2Cl)Cl)Cl)Cl	7.7
103450-89-1	N#CN(COC)C5CC(OC2c1c(O)c3C(=O)c4c(OC)cccc4(C(=O)c3(c(O)c1CC(O)(C(=O)C)C2)))OC(C)C5(O)	2.64
103499-06-5	ON=Cc1nc(no1)Cc2ccccc2	2.29
103499-08-7	ON=Cc1noc(n1)c2ccccc2	2.4
103499-09-8	ON=C(c1nc(no1)C(C)(C)C)SCCN(CC)CC	2.02
103499-11-2	ON=C(c1nc(no1)c3cccc2ccccc23)SCCN(CC)CC	3.87
103595-57-9	O=S(=O)(c1cc(OC)c(OC)c(OC)c1)CCN(C)Cc2ccccc2	2.18
103620-84-4	N#CCN(CC(=O)O)C5CC(OC2c1c(O)c3C(=O)c4c(OC)cccc4(C(=O)c3(c(O)c1CC(O)(C(=O)C)C2)))OC(C)C5(O)	0.03
103628-46-2	O=S(=O)(NC)Cc1ccc2[nH]cc(c2(c1))CCN(C)C	0.93
103748-25-0	n1c(N)n(c2ccc(cc12)Cl)C	2.09
103839-45-8	O=C(OCCCl)N1C=C(F)C(=O)NC1(=O)	0.02
103890-78-4	O=C(OC(C)(C)C)C=Cc1ccccc1C2C(C(=O)OCC)=C(NC(=C2(C(=O)OCC))C)C	5.2
103910-47-0	O=C(O)C(O)(c1ccc(cc1)CC(C)C)CC	3.37
103951-39-9	O=C(OCOc1ccccc1(C(=O)N))CCC	1.66
103951-40-2	O=C(N)c1ccccc1(OCOC(=O)C(C)(C)C)	2
103970-46-3	O=C(OC)Nc1ccccc1I	2.44
103981-92-6	O=C(NC1CC(C)(C)N(=O)C(C)(C)C1)NP(=O)(N2CC2(C)C)N3CC3(C)C	0.44
103981-93-7	O=C(NC1CC(C)(C)N(=O)C1(C)(C))NP(=O)(N2CC2(C)C)N3CC3(C)C	0.45
103981-94-8	O=C(NC1CC(N(O)C(C)(C)C1)(C)C)NP(=O)(N2CC2(C)C)N3CC3(C)C	0.48
103981-95-9	O=C(NC1CC(N(O)C1(C)(C))(C)C)NP(=O)(N2CC2)N3CC3	-0.6
103981-96-0	O=C(NC1CC(N(O)C1(C)(C))(C)C)NP(=O)(N2CC2(C)C)N3CC3(C)C	0.51
103981-97-1	O=C(NC1CC(NC(C)(C)C1)(C)C)NP(=O)(N2CC2(C)C)N3CC3(C)C	0.55
103981-98-2	O=C(NC23(CC1CC(CC(C1)C2)C3))NP(=O)(N4CC4(C)C)N5CC5(C)C	1.98
103981-99-3	O=C(NC1CC(C)(C)N(=O)C1(C)(C))NP(=O)(N2CC2)N3CC3	-0.48
104076-38-2	n2c1ccccc1sc2NCCCOc3cccc(c3)CN4CCCCC4	5.41
104151-78-2	O=C(OC)c1c(no[n+]1([O-]))C	0.69
104151-90-8	O=C(OC)c1no[n+]([O-])c1C	0.56
104182-04-9	O=C(c1ccc(F)cc1)CCN3CCC(O)(c2ccc(cc2)Cl)CC3	3.24
104294-16-8	O(c1ccc(cc1Cl)Cl)c2c(cc(cc2Cl)Cl)Cl	6.11
104383-17-7	Fc4ccc(OCC(O)CN3CCC(N(c2nc1ccccc1s2)C)CC3)cc4	4.61
104411-79-2	OC(COc1ccccc1)CNCC(O)COc2ccccc2	2.52
104437-96-9	O=S(=O)(N)c1ccc(s1)SCCO	0.38
104437-99-2	O=S(=O)(N)c1ccc(s1)SCCCO	0.85
104438-00-8	O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCO	-0.54
104438-02-0	O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCCO	-0.36
104438-04-2	O=C(OCCCS(=O)(=O)c1ccc(s1)S(=O)(=O)N)C	0.17
104438-05-3	O=C(OCCCS(=O)(=O)c1ccc(s1)S(=O)(=O)N)COC	-0.14
104608-36-8	O=C1N(CCC1)P(=O)(OCC)Cc2ccc(cc2)c4nc3ccccc3s4	3
104662-93-3	O=C(OC)Nc2nc1cc(ccc1n2(C(=O)OC))C(=O)c3ccccc3	2.47
104668-67-9	O=C(Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(C)C(F)(F)F	3.71
104697-84-9	O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccccc4	2.37
104732-07-2	O=C2c3c(O)cc(O)cc3(OC(c1cccc(O)c1)C2)	2.61
104764-52-5	O=C1C=CN(C=C1(O))CCC	-0.17
104764-53-6	O=C1C=CN(C=C1(O))C(C)C	-0.02
104764-54-7	O=C1C=CN(C=C1(O))CCCC	0.72
104795-66-6	O=C(Nc1nnn[nH]1)c3c(OC(C)C)c2cc(OC)ccc2s3	1.78
104901-18-0	N#CC(C#N)=NNc1c(cccc1C)C	2.8
104946-50-1	O1c3ccccc3(OCCOCCOCCOCCOCCOCCOc2ccccc2(OCC1))	1.63
104946-54-5	O1c3ccccc3(OCCOCCOCCOCCOCCOCCOCCOc2ccccc2(OCC1))	1.82
104946-62-5	O1c2ccccc2(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC1)	-0.09
104958-85-2	O=C(NCCO)Cn1nc(nc1)[N+](=O)[O-]	-1.59
104958-86-3	O=[N+]([O-])c1ncn(n1)CC(O)COC	-0.49
104958-88-5	O=[N+]([O-])c1ncn(n1)CC(O)COCC	-0.07
104958-92-1	O=[N+]([O-])c1ncn(n1)CC(O)CN2CC2	-0.72
104958-94-3	O=[N+]([O-])c1ncn(n1)CC(O)CCl	0.05
105024-66-6	Fc2ccc(cc2(Oc1ccccc1))CCC[Si](c3ccc(OCC)cc3)(C)C	8.2
105217-56-9	OC(COCCc1ccccc1)CNC(C)C	1.76
105217-57-0	OC(COCCOc1ccccc1)CNC(C)C	1.63
105217-58-1	OC(COCC=Cc1ccccc1)CNC(C)C	2.15
105412-23-5	FC(F)(F)C(F)(F)C(F)(F)CNC(NC)=S	1.99
105412-24-6	O=[N+]([O-])c1ccc(OCCCS(=O)C)cc1	0.93
105412-25-7	O=[N+]([O-])c1ccc(OCCC)cc1S(=O)(=O)C	1.1
105412-26-8	O=[N+]([O-])c1ccc(OCCCS(=O)(=O)N)cc1	0.97
105412-27-9	O=C(OCCCCC(=O)N)c1ccccc1	1.39
105456-57-3	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2Cl)Cl	3.12
105456-58-4	O=S(=O)(c1ccc(N)cc1)c2ccc(cc2C)C	2.71
105456-59-5	O=S(=O)(c1ccc(N)cc1)c2ccc(OC)cc2(OC)	1.64
105456-60-8	O=S(=O)(c1ccc(N)cc1)c2ccc(O)cc2(O)	1.29
105456-64-2	O=S(=O)(c1ccc(N)cc1)c2c(OC)cc(OC)cc2(OC)	1.03
105456-65-3	O=S(=O)(c1ccc(N)cc1)c2c(O)cc(O)cc2(O)	1.53
105512-06-9	O=C(OCC#C)C(Oc2ccc(Oc1ncc(cc1(F))Cl)cc2)C	3.9
105784-83-6	O=C1NC(=O)N(C=C1I)C2OC(CO)CC2	-0.61
105801-48-7	O=C(NC1c2ccccc2(OC1))CN3CCCCC3	2.3
105801-49-8	O=C(NC1c2ccccc2(OC1))CN3CCOCC3	0.81
105801-50-1	O=C(NC1c2cc(ccc2(OC1))Cl)CN(CC)CC	2.88
105801-51-2	O=C(NC1c2cc(ccc2(OC1))Cl)CN(CCCC)CCCC	4.44
105801-52-3	O=C(NC1c2cc(ccc2(OC1))Cl)CN3CCCC3	2.47
105801-53-4	O=C(NC1c2cc(ccc2(OC1))Cl)CN3CCCCC3	3.01
105801-54-5	O=C(NC1c2cc(ccc2(OC1))Cl)CN3CCOCC3	1.55
105801-55-6	O=C(NC1c2cc(ccc2(OC1))C)CN(CC)CC	2.69
105801-56-7	O=C(NC1c2cc(ccc2(OC1))C)CN(CCCC)CCCC	4.43
105801-57-8	O=C(NC1c2cc(ccc2(OC1))C)CN3CCCC3	2.24
105801-58-9	O=C(NC1c2cc(ccc2(OC1))C)CN3CCCCC3	2.78
105801-59-0	O=C(NC1c2cc(ccc2(OC1))C)CN3CCOCC3	1.38
105801-60-3	O=C(NC1c2ccc(OC)cc2(OC1))CN(CCCC)CCCC	4.24
105801-62-5	O=C(NC1c2ccc(OC)cc2(OC1))CN3CCCCC3	2.41
105801-63-6	O=C(NC1c2ccc(OC)cc2(OC1))CN3CCOCC3	0.92
105801-65-8	O=C(NC1c2ccccc2(OC1))CN(CC)CC	2.2
105801-66-9	O=C(NC1c2ccccc2(OC1))CN(CCCC)CCCC	4.15
105801-67-0	O=C(NC1c2ccccc2(OC1))CN3CCCC3	1.76
105951-31-3	O=C2c1cc(sc1SCC2)S(=O)(=O)N	0.74
105951-32-4	O=C2c1c(cc(s1)S(=O)(=O)N)SCC2	0.91
105951-35-7	O=C2c1cc(sc1S(=O)(=O)CC2)S(=O)(=O)N	-0.04
105951-36-8	O=S2c1cc(sc1C(O)CC2)S(=O)(=O)N	-1.01
105951-39-1	O=C2c1c(cc(s1)S(=O)(=O)N)S(=O)(=O)CC2	-0.2
105951-71-1	O=S(=O)(N)c1cc2c(s1)S(=O)(=O)CCC2	-0.16
105979-17-7	O=C(OC)C4=C(NC(=C(C(=O)OC2CN(Cc1ccccc1)CCC2)C4(c3cccc(c3)[N+](=O)[O-]))C)C	4.61
105983-46-8	O=[N+]([O-])c1[nH]c(nc1C)Br	0.86
105983-47-9	O=[N+]([O-])c1c(nc(n1C)Br)C	0.82
106206-96-6	O=C(OCN1C=C(F)C(=O)NC1(=O))OCC	-0.04
106206-97-7	O=C(OCN1C(=O)NC=C(F)C1(=O))OCC	0.15
106219-34-5	O=C(Oc1ccccc1)OCN2C(=O)NC=C(F)C2(=O)	1.11
106220-81-9	O(c1cc(c(cc1Cl)Cl)Cl)c2c(cc(cc2Cl)Cl)Cl	6.49
106220-83-1	O(c1ccc(cc1Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl	6.84
106231-36-1	O=C(ON=C1C(OCS1)(C)C)NC	0.82
106231-37-2	O=C(ON=C1CSCCS1)NC	0.49
106231-39-4	O=C(ON=C1C(C)(C)SCCS1)NC	1.51
106231-45-2	O=C(ON=C1CSCS1)NC	0.51
106231-46-3	O=C(ON=C1C(C)SCS1)NC	0.91
106231-47-4	O=C(ON=C1C(C)(C)SCS1)NC	1.31
106231-48-5	O=C(ON=C1CSC(C)(C)S1)NC	1.33
106231-50-9	O=C(OCC(=O)NC)c1ccccc1	0.99
106231-51-0	O=C(OCC(=O)NCCC)c1ccccc1	1.88
106231-52-1	O=C(OCC(=O)NC(C)(C)C)c1ccccc1	2.26
106231-53-2	O=C(OCC(=O)NCC(=O)N)c1ccccc1	0.09
106231-54-3	O=C(OCC(=O)N(C)C)c1ccccc1	1.07
106231-55-4	O=C(OCC(=O)N(CCC)CCC)c1ccccc1	2.65
106231-56-5	O=C(OCC(=O)N(C(C)C)C(C)C)c1ccccc1	2.56
106231-57-6	O=C(OCC(=O)N(CCCC)CCCC)c1ccccc1	3.91
106231-58-7	O=C(OCC(=O)N(CC=C)CC=C)c1ccccc1	2.34
106231-59-8	O=C(OCC(=O)N(C)CCO)c1ccccc1	0.58
106231-60-1	O=C(OCC(=O)N(CC)CCO)c1ccccc1	0.93
106231-61-2	O=C(OCC(=O)N(CCO)CCO)c1ccccc1	0.17
106231-62-3	O=C(OCC(=O)N(C)CC(=O)N)c1ccccc1	0.08
106231-63-4	O=C(OCC(=O)N(C)CC(=O)OCC)c1ccccc1	1.56
106231-64-5	O=C(OCC(=O)N(C)CC(=O)O)c1ccccc1	0.67
106231-67-8	O=C(OCC(=O)N1CCCCC1)c2ccccc2	1.95
106231-68-9	O=C(OCC(=O)N1CCOCC1)c2ccccc2	0.9
106231-69-0	O=C(OCC(=O)N1CCCC1(C(=O)N))c2ccccc2	0.2
106293-84-9	O=C(ON=C1C(OC(C)S1)C)NC	0.96
106319-38-4	O=S(=O)(N)c1cc2c(s1)SCCC2(O)	0.68
106319-42-0	O=S(=O)(N)c1cc2c(s1)S(=O)(=O)CC(O)C2	-0.44
106319-44-2	O=S(=O)(N)c2cc1c(C(O)CCS1)s2	0.48
106319-45-3	O=S(=O)(N)c2cc1c(C(O)CCS1(=O)(=O))s2	-0.59
106319-46-4	O=S(=O)(N)c2cc1c(CC(O)CS1(=O)(=O))s2	-0.7
106325-08-0	Fc1ccc(cc1)C3(OC3(c2ccccc2Cl))(Cn4ncnc4)	3.44
106335-79-9	O=S2c1c(cc(s1)S(=O)(=O)N)C(O)CC2	-0.92
106362-29-2	Nc1cccc(c1)C2=CCN(C)CC2	1.47
106362-30-5	Nc1ccc(cc1)C2=CCN(C)CC2	1.48
106400-04-8	O=S(=O)(N)c1cc2c(s1)S(=O)(=O)CCC2(O)	-0.35
106848-84-4	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)CCC	3.78
106848-85-5	O=C(OCC(Cc1cncn1C)C(C(=O)OCc2ccccc2)CC)CCCCC	4.75
106848-86-6	O=C(OCc1ccc(cc1)C)C(CC)C(COC(=O)C(C)(C)C)Cc2cncn2C	4.55
107036-57-7	O=C1N=C(N)C(=CN1C2OC(CO)CC2)Br	-0.5
107036-62-4	O=C1N=C(N)C(F)=CN1C2OC(CO)CC2	-1.09
107085-84-7	O=C(O)CCCCCC(=O)OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C)))	3.26
107103-97-9	FC(F)(F)CC(C)CCO	1.61
107115-73-1	O=C(c1ccccc1)c2c(cc3n2CCC3(C(=O)O))C	2.85
107115-74-2	O=C(O)C3c2cc(c(C(=O)c1ccc(F)cc1)n2CC3)C	2.97
107419-07-8	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))C	1.05
107485-43-8	O=C(N)c1c(OC)cccc1Cl	0.59
107485-46-1	O=C(NC(=O)c1c(cccc1C)[N+](=O)[O-])Nc2ccc(cc2)Cl	3.75
107485-58-5	O=C(NC(=O)c1ccccc1(OC))Nc2ccc(cc2)Cl	4.35
107485-63-2	O=C(N)c1c(F)cccc1Br	0.63
107485-64-3	O=C(N)c1c(cccc1Cl)[N+](=O)[O-]	0.12
107485-65-4	O=C(N)c1c(cccc1Br)[N+](=O)[O-]	0.28
107534-96-3	OC(Cn1ncnc1)(CCc2ccc(cc2)Cl)C(C)(C)C	3.7
107550-73-2	OCC3OC(n2cnc1c(nc(nc12)N)N)CC3	-0.46
108050-54-0	O=C3OC(CC)C(C=C(C=CC(=O)C(C)CC(CCN1CC(C)CC(C)C1)C(OC2OC(C)C(O)C(N(C)C)C2(O))C(C)C(O)C3)C)COC4OC(C)C(O)C(OC)C4(OC)	3.8
108319-06-8	O=C(O)C2=CN(c1ccc(F)cc1(F))c3cc(c(F)cc3(C2(=O)))N4CCNC(C)C4	-0.2
108441-45-8	[N-]=[N+]=NC1CC(OC1(CO))N2C=C(C(NC2(=O))=S)C	1.07
108610-76-0	N#Cc1cc(cnc1(NCCO))c2ccncc2	1.17
108610-79-3	N#Cc1cc(cnc1(NCC(O)C))c2ccncc2	0.79
108610-80-6	N#Cc1cc(cnc1(NC(CO)CC))c2ccncc2	1.04
108610-82-8	N#Cc1cc(cnc1(NCCCO))c2ccncc2	1.42
108610-85-1	N#Cc1cc(cnc1(NCCCCO))c2ccncc2	1.93
108611-04-7	N#Cc1cc(cnc1(OCC(O)C))c2ccncc2	1.65
108611-20-7	N#Cc1cc(c(nc1(NCCN))C)c2ccncc2	1.91
108611-24-1	N#Cc2cc(c1ccccc1)c(nc2(NCC(O)C))C	2.72
108611-25-2	N#Cc2cc(c1ccccc1)c(nc2(NCCCO))C	2.72
108611-26-3	N#Cc1cc(c(nc1N2CCOCC2)C)c3ccccc3	3.65
108611-33-2	N#Cc2cc(c1ccccc1)c(nc2N3CCNCC3)C	3.15
108611-54-7	N#Cc1cc(c(nc1Cl)C)c2ccc(OC)c(OC)c2	2.86
108635-80-9	N#Cc1cc(c(nc1Cl)C)c2ccc(OC)cc2	3.38
108966-48-9	O=S(=O)(N)c1ccc(cc1)SCCO	0.36
108966-49-0	O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCO	-0.85
108966-51-4	O=S(=O)(N)c1ccc(cc1)SCCCO	0.8
108966-53-6	O=S(=O)(N)c1ccc(cc1)SCCC(O)(C)C	1.4
108966-54-7	O=S(=O)(N)c1ccc(cc1)SCCCCCO	1.04
108966-55-8	O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCCO	-0.64
108966-56-9	O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCC(O)(C)C	-0.09
108966-58-1	O=[N+]([O-])c1cc(ccc1SCCO)S(=O)(=O)N	0.38
108966-59-2	O=[N+]([O-])c1cc(ccc1SCCCO)S(=O)(=O)N	0.96
108966-60-5	O=[N+]([O-])c1cc(ccc1S(=O)(=O)CCCO)S(=O)(=O)N	-0.05
108966-61-6	O=S(=O)(N)c1ccc(c(N)c1)S(=O)(=O)CCCO	-0.48
108966-66-1	O=C(OC)c1cc(ccc1SCCCO)S(=O)(=O)N	0.74
108966-67-2	O=C(OC)c1cc(ccc1S(=O)(=O)CCCO)S(=O)(=O)N	-0.3
108966-70-7	O=S(=O)(N)c1ccc(c(F)c1)SCCO	0.72
108966-73-0	O=S(=O)(N)c1ccc(c(c1)Cl)SCCCO	1.59
108966-74-1	O=S(=O)(N)c1ccc(c(F)c1)SCCCO	0.99
108966-75-2	O=S(=O)(N)c1ccc(c(F)c1)SCCCCO	1.28
108966-76-3	O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCO	-0.6
108966-77-4	O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCCO	-0.41
108966-78-5	O=S(=O)(N)c1ccc(c(F)c1)S(=O)(=O)CCCCO	-0.26
109151-40-8	O=C(O)C=CC(=O)c1cnccc1	0.26
109232-73-7	O=C(OC(C)C)N1C=C(F)C(=O)NC1(=O)	0.2
109777-62-0	O=C1NC(=O)C(C(=O)N1)(C)C(C)(C)C	0.8
109828-22-0	O(c1ccc(c(c1)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl	7.07
109828-23-1	O(c1cc(c(cc1Cl)Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl	7.13
109871-96-7	O=N2C(C=C(CN1CCCCC1)C2(C)(C))(C)C	1.88
109881-25-6	OCC1OC(C=C1)n3cnc2c(nc(nc23)N)N	-0.48
110143-05-0	FC3CC(OC3(n2cnc1c(ncnc12)N))CO	-0.16
110192-33-1	FC(F)(F)c1cccc2c1CC3CCC2C3(N)	3.53
110192-35-3	FC(F)(F)c1ccc2c(c1)C3CCC(C2)C3(N)	3.52
110235-47-7	C(#CC)c1nc(nc(c1)C)Nc2ccccc2	3.28
110267-92-0	NC3C2c1ccccc1CC3(CC2)	1.63
110267-95-3	FC(F)(F)c1ccc2c(c1)CC3CCC2C3(N)	3.54
110301-07-0	O=C(OC(C)C)C(N)Cc1ccc(O)c(O)c1	0.57
110442-37-0	O=C(c1ccccc1)N(NC(Nc2ccccc2)=S)c3ccccc3	3.73
110488-70-5	O=C(C=C(c1ccc(cc1)Cl)c2ccc(OC)c(OC)c2)N3CCOCC3	2.68
110747-15-4	OC(COc1ccccc1C)CNCC(O)COc2ccccc2C	3.67
110933-19-2	Fc1ccc(cc1)C(O)(c2ccc(F)cc2)Cn3cncc3	2.95
111041-44-2	O=C(Nc1cc(ccc1(F))Cc2ccccc2)N(C(=O)NC)C	3.9
111041-46-4	O=C(Nc1cc(ccc1(F))CC)N(C(=O)NC)C	3.23
111041-47-5	O=C(Nc1cc(F)ccc1(F))N(C(=O)NC)C	2.4
111041-48-6	O=C(Nc1cc(ccc1(F))C(C)C)N(C(=O)NC)C	3.53
111041-55-5	O=C(Nc1cc(ccc1(F))I)N(C(=O)NC)C	3.58
111041-57-7	O=C(Nc1cc(OC(C)C)ccc1(F))N(C(=O)NC)C	3.08
111041-62-4	O=C(Nc1cc(ccc1(F))C(=O)C)N(C(=O)NC)C	1.82
111041-66-8	O=C(Nc1cc(ccc1(F))c2ccccc2)N(C(=O)NC)C	3.78
111041-67-9	O=C(Nc1cc(OC)ccc1(F))N(C(=O)NC)C	2.14
111041-76-0	O=C(Nc1cc(ccc1(F))C(CC)CC)N(C(=O)NC)C	4.46
111041-86-2	O=C(Nc1cc(ccc1(F))C2CCCCC2)N(C(=O)NC)C	4.58
111041-88-4	O=C(Nc1cc(ccc1(F))C(C)(C)C)N(C(=O)NC)C	3.96
111075-86-6	O=C(NNC(=O)C)Nc1cccc(c1)C	0.75
111075-87-7	O=C(NNC(=O)C)Nc1ccc(cc1)C(C)(C)C	2.08
111075-88-8	O=C(NNC(=O)C)Nc1cccc(F)c1	0.73
111075-89-9	O=C(NNC(=O)C)Nc1ccc(F)cc1	0.45
111075-90-2	O=C(NNC(=O)C)Nc1cccc(c1)Cl	1.33
111075-91-3	O=C(NNC(=O)C)Nc1cccc(c1)Br	1.48
111075-92-4	O=C(NNC(=O)C)Nc1cccc(c1)I	1.71
111075-93-5	O=C(NNC(=O)C)Nc1ccc(cc1)I	1.65
111075-94-6	O=C(NNC(=O)C)Nc1cccc(c1)C(F)(F)F	1.59
111075-95-7	O=C(NNC(=O)C)Nc1cccc(OC)c1	0.33
111075-96-8	O=C(NNC(=O)C)Nc1ccc(OCC)cc1	0.51
111075-97-9	O=C(NNC(=O)C)Nc2ccc(Oc1ccccc1)cc2	2.01
111075-98-0	O=C(NNC(=O)C)Nc1ccc(cc1)N(C)C	0.11
111075-99-1	O=C(NNC(=O)C)Nc1ccc(O)cc1	-0.79
111076-00-7	O=C(NNC(=O)C)Nc1cccc(c1)[N+](=O)[O-]	0.67
111076-01-8	O=C(NNC(=O)C)Nc1ccc(cc1)[N+](=O)[O-]	0.77
111076-02-9	N#Cc1ccc(cc1)NC(=O)NNC(=O)C	0.38
111226-62-1	n1ccn(c1)C(OC(COc2ccccc2)C(C)(C)C)=S	4.27
111226-63-2	n1ccn(c1)C(OC(COc2ccc(cc2)Cl)C(C)(C)C)=S	4.96
111226-64-3	n1ccn(c1)C(OC(COc2ccc(cc2)Br)C(C)(C)C)=S	5.11
111226-65-4	n1ccn(c1)C(OC(COc2ccc(cc2)C)C(C)(C)C)=S	4.66
111226-67-6	n1ccn(c1)C(OC(COc2ccc(cc2)CCC)C(C)(C)C)=S	5.77
111226-68-7	n1ccn(c1)C(OC(COc2ccc(cc2)C(C)C)C(C)(C)C)=S	5.21
111226-70-1	n1ccn(c1)C(OC(COc2ccc(cc2)c3ccccc3)C(C)(C)C)=S	6.06
111226-71-2	n1ccn(c1)C(OC(COc2ccc(OC)cc2)C(C)(C)C)=S	4.31
111226-84-7	n1ccn(c1)C(OC(COc2ccc(cc2)CC)C(C)(C)C)=S	5.09
111226-99-4	O=C(OC(COc1ccccc1)C(C)(C)C)n2cncc2	3.58
111227-00-0	O=C(OC(COc1ccc(F)cc1)C(C)(C)C)n2cncc2	3.68
111227-01-1	O=C(OC(COc1ccc(cc1)Cl)C(C)(C)C)n2cncc2	4.19
111227-03-3	O=C(OC(COc1ccc(cc1)Br)C(C)(C)C)n2cncc2	4.37
111227-04-4	O=C(OC(COc1ccc(cc1)[N+](=O)[O-])C(C)(C)C)n2cncc2	3.35
111227-05-5	N#Cc2ccc(OCC(OC(=O)n1cncc1)C(C)(C)C)cc2	3.15
111227-07-7	O=C(OC(COc1ccc(cc1)C(C)C)C(C)(C)C)n2cncc2	4.77
111227-08-8	O=C(OC(COc1ccc(cc1)C)C(C)(C)C)n2cncc2	4.06
111227-09-9	O=C(OC(COc1ccc(cc1)c2ccccc2)C(C)(C)C)n3cncc3	4.56
111227-10-2	O=C(OC(COc1ccc(cc1)C(C)(C)C)C(C)(C)C)n2cncc2	4.82
111227-13-5	O=C(OC(COc1ccc(cc1)CC)C(C)(C)C)n2cncc2	4.1
111227-14-6	O=C(OC(COc1ccc(cc1)CCC)C(C)(C)C)n2cncc2	4.73
111227-15-7	O=C(OC(COc1ccc(cc1)CCCC)C(C)(C)C)n2cncc2	4.97
111227-17-9	O=C(OC(COc1ccc(OC)cc1)C(C)(C)C)n2cncc2	3.46
111227-18-0	O=C(OC(COc1ccc(cc1)SC)C(C)(C)C)n2cncc2	4.03
111227-21-5	O=C(OC(COc1ccc(OCC)cc1)C(C)(C)C)n2cncc2	3.86
111227-26-0	O=C(OC(COc1ccc(OCCC)cc1)C(C)(C)C)n2cncc2	4.1
111227-41-9	O=C(OCC)c2ccc(OCC(OC(=O)n1cncc1)C(C)(C)C)cc2	4.12
111435-97-3	N=4c1ccccc1N(c2ccc(cc2)Cl)C5=CC(=NCCCN3CCCC3)C(=CC=45)Nc6ccc(cc6)Cl	7.17
111435-98-4	N=4c1ccccc1N(c2ccc(cc2)Cl)C5=CC(=NCCCN3CCCCC3)C(=CC=45)Nc6ccc(cc6)Cl	8.18
111436-11-4	N=3c1ccccc1N(c2ccc(cc2)Cl)C4=CC(=NC(C)CCCN(CC)CC)C(=CC=34)Nc5ccc(cc5)Cl	7.92
111436-12-5	N=4c1ccccc1N(c2ccc(cc2)Cl)C5=CC(=NCC3CCNCC3)C(=CC=45)Nc6ccc(cc6)Cl	6.44
111479-05-1	O=C(OCCON=C(C)C)C(Oc3ccc(Oc1nc2ccc(cc2(nc1))Cl)cc3)C	4.6
111526-85-3	n1c3cc(ccc3([nH]c1Cc2ccc(cc2)C))Cl	5.21
111802-43-8	O=C1C=CC3(C(=C1)CCC2C4CC(C(=O)OC)C(C(=O)CO)C4(C)(CC(O)C23))(C)	1.7
111812-58-9	O=C(OC(C)(C)C)c1ccc(cc1)CON=Cc3c(nn(c3(Oc2ccccc2))C)C	5.01
111991-09-4	O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)c2ncccc2(C(=O)N(C)C)	0.01
112225-83-9	O=C(NN(C(=O)c1cccc(c1)Cl)C(C)(C)C)c2ccccc2	3.28
112225-85-1	O=C(NN(C(=O)c1ccc(F)cc1)C(C)(C)C)c2ccccc2	2.85
112225-86-2	O=C(NN(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C)c2ccccc2	2.27
112225-87-3	O=C(NN(C(=O)c1ccccc1)C(C)(C)C)c2ccccc2	2.45
112226-22-9	O=C(NN(C(=O)c1ccc(c(c1)Cl)Cl)C(C)(C)C)c2ccccc2	4.25
112226-30-9	O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccccc2Cl	2.75
112226-54-7	O=C(NN(C(=O)c1ccc(cc1)Cl)C(C)(C)C)c2ccccc2	3.42
112226-56-9	O=C(NN(C(=O)c1ccc(cc1)C)C(C)(C)C)c2ccccc2	2.99
112226-58-1	O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccccc2	2.59
112226-64-9	O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2cccc(c2)Cl	3.49
112226-65-0	O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccc(cc2)Cl	3.51
112226-76-3	O=C(NN(C(=O)c1ccccc1(F))C(C)(C)C)c2ccccc2	2.38
112226-77-4	O=C(NN(C(=O)c1ccccc1(OC))C(C)(C)C)c2ccccc2	2.04
112226-78-5	O=C(NN(C(=O)c1ccccc1C)C(C)(C)C)c2ccccc2	2.75
112226-82-1	O=C(NN(C(=O)c1cccc(c1)[N+](=O)[O-])C(C)(C)C)c2ccccc2	2.73
112226-85-4	O=C(NN(C(=O)c1ccc(cc1)Br)C(C)(C)C)c2ccccc2	3.66
112226-86-5	O=C(NN(C(=O)c1c(F)cccc1(F))C(C)(C)C)c2ccccc2	2.16
112226-92-3	O=C(NN(C(=O)c1ccc(OC)cc1)C(C)(C)C)c2ccccc2	2.56
112226-93-4	O=C(NN(C(=O)c1ccccc1I)C(C)(C)C)c2ccccc2	2.83
112226-95-6	O=C(NN(C(=O)c1ccccc1SC)C(C)(C)C)c2ccccc2	2.6
112226-97-8	O=C(NN(C(=O)c1ccc(cc1Cl)Cl)C(C)(C)C)c2ccccc2	3.55
112227-02-8	O=C(NN(C(=O)c1cccc(F)c1)C(C)(C)C)c2ccccc2	2.78
112249-32-8	O=C(NN(C(=O)c1ccccc1Br)C(C)(C)C)c2ccccc2	2.69
112281-77-3	FC(F)C(F)(F)OCC(c1ccc(cc1Cl)Cl)Cn2ncnc2	3.56
112410-23-8	O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2ccc(cc2)CC	4.25
112411-06-0	O=C(NN(C(=O)c1c(F)c(F)c(F)c(F)c1(F))C(C)(C)C)c2ccccc2	3.25
112411-46-8	O=C(NN(C(=O)c1cccc(c1)C)C(C)(C)C)c2ccccc2	2.79
112411-90-2	O=C(NN(C(=O)c1cccc(c1C)C)C(C)(C)C)c2ccccc2	3.1
112412-44-9	O=C(NN(C(=O)c1ccc(c(c1)C)C)C(C)(C)C)c2ccccc2	3.34
112426-60-5	O=C(NN(C(=O)c1cccc(OC)c1)C(C)(C)C)c2ccccc2	2.56
112426-62-7	N#Cc1ccc(cc1)C(=O)N(NC(=O)c2ccccc2)C(C)(C)C	2.5
112426-65-0	O=C(NN(C(=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)c2ccccc2	3.77
112426-66-1	O=C(NN(C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C)c2ccccc2	3.61
112426-67-2	O=C(NN(C(=O)c1ccccc1C(F)(F)F)C(C)(C)C)c2ccccc2	2.85
112426-69-4	N#Cc1cccc(c1)C(=O)N(NC(=O)c2ccccc2)C(C)(C)C	2.34
112426-71-8	O=C(NN(C(=O)c1c(cccc1Cl)Cl)C(C)(C)C)c2ccccc2	2.56
112426-76-3	O=C(NN(C(=O)c1cccc(c1Cl)Cl)C(C)(C)C)c2ccccc2	3.41
112426-79-6	O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2ccccc2	3.39
112426-81-0	O=C(NN(C(=O)c1cccc(c1C)Cl)C(C)(C)C)c2ccccc2	3.57
112426-98-9	O=C(NN(C(=O)c1ccccc1Cl)C(C)(C)C)c2ccc(cc2)C	3.15
112427-09-5	O=C(NN(C(=O)c1cccc(c1)Br)C(C)(C)C)c2ccccc2	3.49
112427-40-4	O=C(NN(C(=O)c1cccc(c1)I)C(C)(C)C)c2ccccc2	3.72
112427-41-5	O=C(NN(C(=O)c1ccccc1CC)C(C)(C)C)c2ccccc2	2.96
112427-66-4	O=C(NN(C(=O)c1ccc(OC)c(OC)c1)C(C)(C)C)c2ccccc2	2.09
112427-73-3	O=C(NN(C(=O)c1ccc(cc1)I)C(C)(C)C)c2ccccc2	3.78
112473-77-5	O=C(Oc1ccccc1)C(CC)C(C)C	4.2
112473-78-6	O=C(OCc1ccccc1)C(OCC)C(C)C	3.29
112740-61-1	O=C(C=NO)CSC	1.21
112830-95-2	Oc1cc(cc2OC(C)(C)C3CC=C(CO)CC3(c12))C(C)(C)CCCCCC	7.44
112904-74-2	Oc2cccc1c2(OCC(N(CCC)CCC)C1)	3.3
112941-26-1	O=C(OC)c1ccccc1CS(=O)(=O)N	0.37
112960-12-0	Oc1ccc2OCC3N(CCOC3(c2(c1)))CCC	1.97
113024-34-3	O=S(=O)(Nc1c(F)cccc1(F))c2nc(n(n2)c3ccccc3)CC	3.7
113024-75-2	O=S(=O)(Nc1c(ccc(c1Cl)C)Cl)c2nc(n(n2)c3ccccc3)C	4.4
113270-69-2	n1cccc2nc([nH]c12)c3ccc(cc3)CC	3.42
113270-70-5	n1cccc2nc([nH]c12)c3ccc(cc3)C(C)(C)C	4.82
113464-17-8	O(c1ccc(cc1)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl	6.61
113588-95-7	O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(C)s2)Br	1.72
113588-97-9	O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(Br)s2)Br	1.85
113589-05-2	O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(OC)s2)Br	1.35
113589-14-3	O=C(Nc1nnn[nH]1)c2c(OC(C)C)c(c(n2C)Br)Br	2.52
113916-37-3	O=C(N)NS(=O)(=O)c1cnccc1	-0.65
113932-77-7	O=C(OCCCC)Nc1ccc(OCC)c(OCC)c1	3.46
113932-78-8	O=C(OC1CCCC1)Nc2ccc(OCC)c(OCC)c2	3.33
113932-79-9	O=C(OC)Nc1ccccc1(OCC)	2.43
113932-80-2	O=C(OC)Nc1ccccc1C(F)(F)F	2.09
113932-81-3	O=C(OC)Nc1cccc(c1)I	3.03
113932-82-4	O=C(OC)Nc1cccc(c1)CC	2.74
113932-83-5	O=C(OC)Nc1cccc(OCC)c1	2.31
113932-84-6	O=C(OC)Nc1ccc(cc1)CCCC	3.69
114012-04-3	N#Cc1cccc(c1(OP(OC)(OC)=S))Cl	3.58
114260-32-1	O=C(OCC(=O)N(C)C)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N	1.18
114260-70-7	O=C(O)CSC1=NS(=O)(=O)c2ccc(cc2(N1))Cl	0.82
114260-71-8	O=C(O)CSC1=NS(=O)(=O)c2cc(ccc2(N1))Cl	0.72
114260-72-9	O=C(O)CSC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl	1.09
114260-73-0	O=C(O)CSC1=NS(=O)(=O)c2ccc(c(c2(N1))Cl)Cl	1.1
114260-74-1	O=C(O)CSC1=NS(=O)(=O)c2cc(ccc2(N1))Br	0.92
114260-75-2	O=C(O)CSC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br	1.16
114260-76-3	O=C(O)CSC1=NS(=O)(=O)c2ccc(cc2(N1))C	0.7
114260-77-4	O=C(O)CSC1=NS(=O)(=O)c2ccc(OC)cc2(N1)	0.37
114260-78-5	O=C(O)CSC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F	1.62
114282-93-8	O=C(O)CSC1=NS(=O)(=O)c2ccccc2(N1)	0.18
114298-20-3	O=C3N(C(=O)C4C2C=CC(C1C=CC12)C34)CCCCN6CCN(c5ncccn5)CC6	1.79
114311-32-9	O=C(O)c2cc(cnc2(C1=NC(C(=O)N1)(C)C(C)C))COC	0.73
114369-43-6	N#CC(c1ccccc1)(Cn2ncnc2)CCc3ccc(cc3)Cl	3.23
114525-06-3	FC(F)(F)CC(C)CO	1.39
114593-85-0	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCC(=O)N	1.43
114593-87-2	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCCC(=O)N	2.3
114593-88-3	O=C(OCC(=O)C3(O)(CCC2C4CCC1=CC(=O)CCC1(C)C4(C(O)CC23(C))))CCCCCO	2.79
114665-08-6	O=C(OCC(=O)N(C)C)c1ccccc1(O)	1.21
114665-09-7	O=C(OCC(=O)N(C)CCO)c1ccccc1(O)	0.86
114753-51-4	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCC	6.68
114753-52-5	[N-]=[N+]=NC1CC(OC1(CO))n3cnc2c(nc(nc23)N)N	0.24
114753-53-6	FC1CC(OC1(CO))n3cnc2c(nc(nc23)N)N	0.05
114841-65-5	c1ccc(cc1)CC2=C(C)SSC2=S	3.78
114895-04-4	N#CN=[N+]([O-])c1cccc(F)c1	1.85
114895-07-7	N#CN=[N+]([O-])c1ccc(F)cc1	1.8
114895-11-3	N#CN=[N+]([O-])c1ccc(cc1)C(F)(F)F	2.47
114912-51-5	N#CN=[N+]([O-])c1cccc(c1)C(F)(F)F	2.52
114912-52-6	N#CN=[N+]([O-])c1cccc(C#N)c1	1.15
114912-53-7	N#CN=[N+]([O-])c1ccc(C#N)cc1	1.18
114991-36-5	O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(CO)CS(=O)CSCCC	-0.67
115054-71-2	O=C(N)C(n2nnc1ccccc12)C	0.35
115054-74-5	O=C(OCC)C(n2nnc1ccccc12)CCCC	3.32
115054-75-6	O=C(N)C(n2nnc1ccccc12)CC	0.88
115054-76-7	O=C(N)C(n1nc2ccccc2(n1))CC	1.25
115054-77-8	O=C(N)C(n2nnc1ccccc12)(C)C	0.76
115054-78-9	O=C(OCC)C(n2nnc1ccccc12)CC	2.34
115054-79-0	O=C(OCC)C(n2nnc1ccccc12)(C)C	2.6
115054-80-3	O=C(OCC)C(n1nc2ccccc2(n1))CC	2.88
115054-81-4	O=C(N)C(n2nnc1ccccc12)CCCC	1.88
115054-82-5	O=C(OCC)C(n1nc2ccccc2(n1))CCC	3.38
115054-83-6	O=C(N)C(n1nc2ccccc2(n1))CCC	1.75
115054-85-8	O=C(N)C(n1nc2ccccc2(n1))(C)C	1.16
115054-86-9	O=C(OCC)C(n2nnc1ccccc12)CCC	2.82
115054-87-0	O=C(OCC)C(n1nc2ccccc2(n1))CCCC	3.88
115054-88-1	O=C(N)C(n1nc2ccccc2(n1))C	0.86
115054-89-2	O=C(N)C(n2nnc1ccccc12)CCC	1.38
115054-90-5	O=C(N)C(n1nc2ccccc2(n1))CCCC	2.28
115054-91-6	O=C(O)CCC(n2nnc1ccccc12)C	0.15
115054-92-7	O=C(OCC)CCC(n2nnc1ccccc12)C	2.64
115054-94-9	O=C(N)CC(n1nc2ccccc2(n1))C	1
115054-96-1	O=C(O)CCC(n1nc2ccccc2(n1))C	0.69
115054-97-2	O=C(N)CCC(n1nc2ccccc2(n1))C	1.35
115174-03-3	[O-][n+]1onc(N)c1C	-0.17
115178-63-7	O=C(OCC(=O)N(CC(O)C)CC(O)C)c1ccccc1	0.66
115178-64-8	O=C(OCC(=O)N(CCOC)CCOC)c1ccccc1	1.28
115178-66-0	O=C(OCC(=O)N1CCC1)c2ccccc2	1.2
115178-68-2	O=C(OCC(=O)N1CCCCCC1)c2ccccc2	2.3
115178-69-3	O=C(OCC(=O)N1CCCCC1CC)c2ccccc2	2.62
115178-70-6	O=C(OCC(=O)N1C(C)CCCC1C)c2ccccc2	2.9
115178-71-7	O=C(OCC(=O)N1CCC(O)CC1)c2ccccc2	0.63
115178-74-0	O=C(OCC(=O)N1CCC1(C(=O)O))c2ccccc2	0.79
115178-75-1	O=C(OCC(=O)N1CCCC1(C(=O)O))c2ccccc2	1.02
115178-76-2	O=C(OCC(=O)N1CCCC1(C(=O)OC))c2ccccc2	1.42
115178-77-3	O=C(OCCC(=O)N(C)C)c1ccccc1	1.28
115178-78-4	O=C(OCCCC(=O)N(C)C)c1ccccc1	1.86
115178-79-5	O=C(OC(C(=O)N(CC)CC)C)c1ccccc1	2.3
115178-80-8	O=C(OCC(=O)N(C(=O)C)C)c1ccccc1	1.58
115193-27-6	O=C(OCC(=O)NC(C)C)c1ccccc1	1.73
115193-28-7	O=C(OCC(=O)NCCCC)c1ccccc1	2.36
115193-29-8	O=C(OCC(=O)NCCCCCC)c1ccccc1	2.81
115193-30-1	O=C(OCC(=O)NC(C(=O)N)C)c1ccccc1	0.42
115193-31-2	O=C(OCC(=O)NC(CO)(CO)CO)c1ccccc1	0.25
115193-32-3	O=C(OCC(=O)N(C)CC)c1ccccc1	1.27
115193-33-4	O=C(OCC(=O)N(CC(C)C)CC(C)C)c1ccccc1	3.8
115201-41-7	Fc1ccc(cc1)Cn2ncnc2	1.1
115201-42-8	n1cnn(c1)Cc2ccc(OC)cc2	1.1
115201-43-9	n1cnn(c1)Cc2ccc(cc2)CCCC	2.81
115201-44-0	FC(F)(F)c1cccc(c1)Cn2ncnc2	1.74
115201-45-1	n1cnn(c1)Cc2ccc(c(c2)Cl)Cl	2.54
115249-86-0	O=C1NC(=O)N(C=C1Br)C2OC(CO)C(F)C2	-0.04
115583-15-8	n1c3cc(ccc3([nH]c1Cc2ccc(cc2)Cl))Cl	5.18
115656-32-1	O=C(NCCOC)COc2ccc(OCCNCC(O)COc1ccccc1)cc2	1.7
115787-59-2	O=C3N=C(N)Nc1c3([nH]c(N)c1Cc2ccsc2)	1.08
115812-51-6	O=C3N=C(N)Nc1c3([nH]c(N)c1Cc2cccs2)	1.01
115864-73-8	O=C1C=CN(C(=C1(O))CC)C	-0.2
115864-74-9	O=C1C=CN(C(=C1(O))CC)CCC	0.7
116005-01-7	Oc3cccc1c3(OCC2N(CCOC12)CCC)	1.93
116005-03-9	Oc1ccc2OCCC(c2(c1))N(CCC)CCC	3.17
116005-04-0	Oc1ccc2OCC(N(CCC)CCC)Cc2(c1)	3.19
116167-27-2	O=C(O)C1CC(=O)N(CCCCCC)C1	1.6
116255-48-2	n1cnn(c1)CC2(OCC(C2)Br)(c3ccc(cc3Cl)Cl)	3.24
116383-78-9	O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2ncccc2Cl	1.51
116383-80-3	O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2ncc(cc2)Cl	2.7
116383-85-8	O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2nccc(c2)Cl	2.63
116407-52-4	O=C1C(O)=CC=CN1CCCC	1.18
116482-56-5	O=C(OCC(=O)N(CC)CC)c1ccccc1(OC(=O)C)	1.16
116482-75-8	O=C(OCC(=O)N(CCC)CCC)c1ccccc1(OC(=O)C)	2.09
116482-76-9	O=C(OCC(=O)N(C(C)C)C(C)C)c1ccccc1(OC(=O)C)	2.03
116482-77-0	O=C(OCC(=O)N(C)CC(=O)OCC)c1ccccc1(OC(=O)C)	1.67
116482-78-1	O=C(OCC(=O)N(C)CC(=O)N)c1ccccc1(OC(=O)C)	-0.46
116482-80-5	O=C(OCC(=O)N1CCOCC1)c2ccccc2(OC(=O)C)	0.3
116583-45-0	O=C1OC(C)(CC(=O)C1C(=NOCC)CCC)C2CC2	3.28
116714-46-6	O=C(NC(=O)c1c(F)cccc1(F))Nc2ccc(OC(F)(F)C(F)OC(F)(F)F)c(c2)Cl	5.27
116792-06-4	n1cc3c4cc(OC)ccc4([nH]c3(c2ccc(cc12)Cl))	4.49
116995-20-1	O(c1ccc(cc1Cl)Cl)c2c(ccc(c2Cl)Cl)Cl	6.06
117121-33-2	O=C(Nc3ccc(Oc1nnnn1C2CCCCC2)cc3)N(C)C	2.18
117121-34-3	O=C(Nc2ccc(Oc1nnnn1CCCCCCCC)cc2)N(C)C	3.96
117121-35-4	O=C(Nc2ccc(OC1NNNN1(CC=C))cc2)N(C)C	1
117121-36-5	O=C(Nc3ccc(Oc1nnnn1Cc2ccccc2)cc3)N(C)C	1.7
117121-37-6	O=C(OCC)Cn2nnnc2(Oc1ccc(cc1)NC(=O)N(C)C)	0.7
117121-38-7	O=C(Nc2ccc(Oc1nnnn1CC#C)cc2)N(C)C	1
117121-39-8	O=C(Nc2ccc(Oc1nnnn1CC)c(c2)Cl)N(C)C	1.5
117121-41-2	O=C(Nc2ccc(Oc1nnn(n1)C)cc2)N(C)C	0.63
117121-42-3	O=C(Nc2ccc(Oc1nnn(n1)CC)cc2)N(C)C	1.1
117121-43-4	O=C(Nc2ccc(Oc1nnn(n1)C(C)C)cc2)N(C)C	1.45
117121-44-5	O=C(Nc2ccc(Oc1nnn(n1)C(C)(C)C)cc2)N(C)C	2.08
117121-45-6	O=C(Nc3ccc(Oc1nnn(n1)C2CCCCC2)cc3)N(C)C	2.67
117121-46-7	O=C(Nc2ccc(Oc1nnn(n1)CCCCCCCC)cc2)N(C)C	4.4
117121-47-8	O=C(Nc2ccc(Oc1nnn(n1)CC=C)cc2)N(C)C	1.65
117121-48-9	O=C(Nc3ccc(Oc1nnn(n1)Cc2ccccc2)cc3)N(C)C	2.25
117121-49-0	O=C(OCC)CN2NNC(Oc1ccc(cc1)NC(=O)N(C)C)N2	1.12
117121-50-3	N#CCCn1nnc(n1)Oc2ccc(cc2)NC(=O)N(C)C	0.28
117121-51-4	O=C(Nc2ccc(Oc1nnn(n1)CC)c(c2)Cl)N(C)C	1.7
117144-73-7	O=C(Nc2ccc(Oc1nnn(n1)CC#C)cc2)N(C)C	1.65
117337-19-6	O=C(OC)CSc3cc(N=C1N2N(C(=O)S1)CCCC2)c(F)cc3Cl	3.77
117491-56-2	O=C(OCN1C(=O)C=C(C1(=O))C)C	0.45
117491-57-3	O=C(OCN1C(=O)C(=C(C1(=O))C)C)C	0.65
117491-58-4	O=C(OCN2C(=O)c1ccccc1C2)C	0.99
117505-21-2	N#CN=[N+]([O-])c2cccc1ccccc12	3.17
117505-22-3	N#CN=[N+]([O-])c2ccnc1ccccc12	2.07
117505-23-4	N#CN=[N+]([O-])C2c1ccccc1N(=O)CC2	1.12
117505-24-5	N#CN=[N+]([O-])C1CCN(=O)CC1	-0.41
117505-25-6	N#CN=[N+]([O-])c1nccnc1	0.1
117509-89-4	O=C(OCN1C(=O)C2CC=CCC2(C1(=O)))C	0.97
117539-78-3	N#CN=[N+]([O-])c1ncccn1	-0.13
117574-40-0	O=C1C(=C(C(=O)C(=C1C)Cc2cnccc2)C)C	2.55
117718-60-2	O=C(OC)c2c(nc(c(C1=NCCS1)c2CC(C)C)C(F)(F)F)C(F)F	3.89
117856-61-8	n1cc(ncc1OC)OC	1.14
117994-51-1	O=[N+]([O-])c1ccc2[nH]c(nc2(c1))Cc3ccc(OC)cc3	3.48
118024-67-2	O=C2c1[nH]cnc1N(C(=O)N2C)CCC	1.02
118178-79-3	O=C1C=CN(C(=C1(O))C)CCOC	-0.41
118178-81-7	O=C1C=CN(C(=C1(O))C)CCCOCC	0.12
118198-71-3	Oc1ccc(cc1(O))C(O)CCCCC	2.32
118198-78-0	O=C(C=Cc1ccc(O)c(O)c1)CCCCCO	1.67
118247-01-1	O=C(OCC(=O)NCC)c1ccccc1(OC(=O)C)	0.9
118247-02-2	O=C(OCC(=O)NCC(=O)N)c1ccccc1(OC(=O)C)	-0.43
118247-03-3	O=C(OCC(=O)NCC(=O)OCC)c1ccccc1(OC(=O)C)	0.99
118247-04-4	O=C(OCC(=O)N(C)C)c1ccccc1(OC(=O)C)	0.38
118247-07-7	O=C(OCOC(=O)CCC)c1ccccc1(OC(=O)C)	2.5
118247-08-8	O=C(OCCN(C(=O)C)C)c1ccccc1(OC(=O)C)	1.46
118259-45-3	O=C(Nc2ccc(Oc1nnnn1C(C)(C)C)c(c2)Cl)N(C)C	2.25
118259-53-3	O=C(Nc2ccc(Oc1nnnn1C(C)(C)C)cc2)N(C)C	1.65
118409-80-6	O=C(O)Cc2ccccc2(Nc1c(cc(OC)cc1Cl)Cl)	4.44
118506-53-9	[O-][n+]1onc(c1(N))C	-0.32
118709-72-1	O=C1NC(=O)C(C(=O)N1)(C(C)(C)C)Cl	0.82
118712-89-3	O=C(OCc1c(F)c(F)cc(F)c1(F))C2C(C=C(Cl)Cl)C2(C)(C)	5.46
118976-97-9	O=C(c1ccc(OC)cc1)c2cc(sc2)S(=O)(=O)N	1.76
118993-57-0	O=C(c1ccc(O)cc1)c2cc(sc2)S(=O)(=O)N	1.41
118993-61-6	O=C(c1coc(c1)S(=O)(=O)N)c2ccc(OC)cc2	1.52
119005-12-8	O=C(OCc1ccccc1)c3cccc(OC2NC(=O)C2)c3	2.83
119005-13-9	O=C3NC(Oc1cccc2ccccc12)C3	2.66
119005-15-1	O=C3NC(Oc1ccc(cc1)c2ccccc2)C3	2.61
119005-16-2	O=C4NC(Oc2c3ccccc3(cc1ccccc12))C4	3.08
119005-17-3	O=C3NC(Oc1ccc(cc1)C(=O)c2ccccc2)C3	2.14
119005-18-4	O=C(C=Cc1ccccc1)c3ccc(OC2NC(=O)C2)cc3	2.56
119005-20-8	O=C3NC(Oc1ccc(cc1)C(=O)CCc2ccccc2)C3	2.48
119005-21-9	O=C3NC(Oc1ccccc1C(=O)c2ccccc2)C3	1.83
119005-22-0	O=C1NC(C1)Sc2ccc3ccccc3(c2)	2.64
119005-23-1	O=C1NC(C1)Sc2ncccc2	0.61
119005-26-4	O=C(OCC)CN3C(=O)CC3(Oc1ccc2ccccc2(c1))	2.8
119005-27-5	O=C(OC(C)(C)C)CN3C(=O)CC3(Oc1ccc2ccccc2(c1))	3.6
119005-28-6	O=C(c1ccccc1)c3ccc(OC2N(C(=O)C2)CC(=O)OCC)cc3	3
119005-29-7	O=C(C=Cc1ccccc1)c3ccc(OC2N(C(=O)C2)CC(=O)OCC)cc3	3.3
119005-30-0	O=C(OCC)CN1C(=O)CC1Sc2ccc3ccccc3(c2)	3.4
119018-06-3	O=C(c1ccc(cc1)C)c2cc(sc2)S(=O)(=O)N	2.16
119168-77-3	O=C(NCc1ccc(cc1)C(C)(C)C)c2c(c(nn2C)CC)Cl	4.61
119410-37-6	O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(CO)CS(=O)CSCCCCC	0.6
119410-38-7	O=C(C=CC=1C(=O)NC(=O)NC=1C)NC(C)CS(=O)CSCC	-0.3
119416-26-1	O=C(Nc1c(cc(cc1C)Br)C)C	2.12
119446-68-3	n1cnn(c1)CC2(OCC(O2)C)c4ccc(Oc3ccc(cc3)Cl)cc4Cl	4.3
119555-47-4	O=C1N=C(N)C=CN1C2OC(CO)CC2(F)	-1.18
119644-21-2	[N-]=[N+]=NC3C(N=[N+]=[N-])C(OC3(n2cnc1c(ncnc12)N))CO	0.8
119644-22-3	O=C1NC(=O)N(C=C1Cl)C2OC(CO)C(F)C2	-0.17
119644-23-4	O=C1NC(=O)N(C=C1I)C2OC(CO)C(F)C2	0.21
119691-79-1	n1c3cc(ccc3([nH]c1Cc2ccc(N)cc2))Cl	3.2
119731-18-9	O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(OC)cc2	1.36
119738-06-6	O=C(OCC1OCCC1)C(Oc4ccc(Oc2nc3ccc(cc3(nc2))Cl)cc4)C	4.32
120068-37-3	N#Cc1nn(c(N)c1S(=O)C(F)(F)F)c2c(cc(cc2Cl)C(F)(F)F)Cl	4
120137-90-8	N#Cc1cc(cnc1(NCC))c2ccncc2	2.33
120137-94-2	N#Cc1cc(cnc1(NCC=C))c2ccncc2	2.07
120137-95-3	N#Cc1cc(cnc1N2CCCC2)c3ccncc3	2.95
120137-97-5	N#Cc1cc(cnc1(NCCCOC))c2ccncc2	2.03
120182-07-2	n1ccccc1N2CCN(CC2)CC3OC(=NC3)N	0.48
120182-09-4	N1=C(OC(C1)CN3CCN(c2cccc(c2)Cl)CC3)N	1.83
120182-12-9	FC(F)(F)c1cccc(c1)N2CCN(CC2)CC3OC(=NC3)N	2.21
120182-15-2	Fc1ccc(cc1)N2CCN(CC2)CC3OC(=NC3)N	1
120182-18-5	N1=C(OC(C1)CN3CCN(c2cccc(c2C)C)CC3)N	2.19
120182-20-9	n1cccnc1N2CCN(CC2)CC3OC(=NC3)N	0.21
120236-83-1	O=S(c3ccc(c1nc2nnccc2([nH]1))c(OC)c3)C	0.23
120236-84-2	O=S(c3ccc(c1nc2cnncc2([nH]1))c(OC)c3)C	0.39
120236-85-3	O=S(c3ccc(c1nc2nccnc2([nH]1))c(OC)c3)C	0.66
120236-88-6	n1ccc2[nH]c(cc2(c1))c3ccc(OC)cc3(OC)	3.5
120277-90-9	OC(Cn1cncc1)CN2C3CCCCC23	1.07
120277-93-2	OC(Cn1cncc1)CN2C3CCCC23	0.37
120277-94-3	OC(Cn1cncc1)CN2C3CCCC(C)C23	1.55
120277-95-4	OC(Cn1cncc1)CN2C3CCCCCC23	1.44
120277-97-6	OC(Cn1cncc1)CN2C3COCCC23	0.07
120282-84-0	O=C(NC23(CC1CC(CC(C1)C2)C3))C(O)c4ccccc4	3.09
120282-85-1	O=C(OC(C(=O)NC23(CC1CC(CC(C1)C2)C3))c4ccccc4)CC	3.72
120282-87-3	O=C(OC(C(=O)ON=C(C)C23(CC1CC(CC(C1)C2)C3))c4ccccc4)C	5.89
120309-36-6	O=C(Nc1cc(ccc1(OCCCC))[N+](=O)[O-])C	2.26
120309-46-8	O=C(NCCC)c1ccc[nH]1	1.25
120356-09-4	O=C(OCCOCn2cnc1cnc(nc12)NC(=O)C)C	-1.05
120399-49-7	O=C(NCC(=O)NC(C(=O)NCC)C(C)C)c1ccccc1	1.05
120399-50-0	O=C(NCC(=O)NCC)c1ccccc1	0.58
120503-34-6	OCC3OC(n2cnc1c2(ncnc1Cl))CC3	0.24
120503-37-9	OCC3OC(n2cnc1c2(ncnc1I))CC3	0.53
120908-61-4	OC(COc1ccccc1)CNCC(O)COc2cccc3ccccc23	3.87
120908-62-5	O=[N+]([O-])c2ccc(OCC(O)CNCC(O)COc1ccccc1)cc2	2.62
120908-63-6	O=C(Nc2ccc(OCC(O)CNCC(O)COc1ccccc1)cc2)C	1.39
120923-37-7	O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)N(C)S(=O)(=O)C	1.63
120928-09-8	n1cnc3ccccc3(c1OCCc2ccc(cc2)C(C)(C)C)	5.51
121009-77-6	O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(C)CC(OC(=O)C(C)(C)CC)C12)C	4.47
121107-43-5	c1cc(cc(c1Cc2ccc(c(c2Cl)C)Cl)Cl)Cl	7.2
121107-44-6	c1cc(cc(c1Cc2cc(c(cc2Cl)Cl)C)Cl)Cl	7.43
121107-46-8	c1cc(c(cc1Cl)Cc2cc(c(cc2Cl)Cl)C)Cl	7.53
121107-47-9	c1cc(c(c(c1)Cl)Cc2ccc(c(c2Cl)C)Cl)Cl	7.2
121107-48-0	c1cc(c(c(c1)Cl)Cc2cc(c(cc2Cl)Cl)C)Cl	6.73
121107-55-9	c1cc(c(cc1Cl)Cc2cc(c(cc2Cl)C)Cl)Cl	7.48
121107-65-1	c1cc(c(cc1Cc2cc(c(cc2Cl)Cl)C)Cl)Cl	7.26
121107-77-5	c1cc(cc(c1Cc2cc(c(cc2C)Cl)Cl)Cl)Cl	7.41
121107-83-3	c1cc(c(c(c1)Cl)Cc2cc(c(cc2C)Cl)Cl)Cl	7.15
121284-18-2	O(c1ccc(OCCOCCOC)cc1)CCOCCOC	0.76
121284-19-3	O(c1cccc(OCCOCCOC)c1)CCOCCOC	0.86
121284-20-6	O1c3ccccc3(OCCOCCOCCOCCOCCOCCOCCOc2ccccc2(OCCOCCOCCOCCOCCOCCOCC1))	0.52
121325-44-8	O=C(OC)c2cc(Oc1cc(ccc1Cl)C(F)(F)F)ccc2[N+](=O)[O-]	4.21
121353-89-7	O=C1NC(=O)N(C=C1C)C2OC(CO)CC2(F)	-0.44
121508-87-0	O=C(NCCNCC(O)OCc1ccccc1)Cc2ccccc2	1.05
121508-88-1	O=C(NCCNCC(O)COCc1ccccc1)C(C)C	0.63
121508-89-2	OC(COCCc1ccccc1)CNC(C)(C)C	2.52
121508-90-5	O=C(NCCNCC(O)COCCc1ccccc1)Cc2ccccc2	1.24
121508-91-6	O=C(NCCNCC(O)COCCc1ccccc1)C(C)C	0.95
121508-92-7	O=C(NCCNCC(O)COCCCc1ccccc1)Cc2ccccc2	1.62
121508-93-8	O=C(NCCNCC(O)COCCCc1ccccc1)C(C)C	1.25
121508-94-9	OC(COCCOc1ccccc1)CNC(C)(C)C	2.35
121508-95-0	O=C(NCCNCC(O)COCCOc1ccccc1)Cc2ccccc2	0.75
121508-96-1	O=C(NCCNCC(O)COCCOc1ccccc1)C(C)C	0.48
121508-97-2	O=C(NCCNCC(O)COCC=Cc1ccccc1)Cc2ccccc2	1.76
121508-98-3	O=C(NCCNCC(O)COCC=Cc1ccccc1)C(C)C	0.51
121509-02-2	O=C(NCCNCC(O)COC2c1ccccc1CCC2)Cc3ccccc3	1.68
121509-03-3	O=C(NCCNCC(O)COC2c1ccccc1CCC2)C(C)C	1.99
121552-61-2	n1c(nc(cc1C)C2CC2)Nc3ccccc3	4
121588-32-7	N#Cc2cc3ccccc3(nc2(Nc1c(cc(cc1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]))	3.88
121776-33-8	O=C(N1CC(OC1(C)C)c2occc2)C(Cl)Cl	2.12
121788-14-5	O=C(OC)c1ccc(F)c(c1)NC(=O)N(C(=O)NC)C	2.28
121788-15-6	O=C(Nc1cc(ccc1(F))[N+](=O)[O-])N(C(=O)NC)C	2.3
121788-16-7	O=C(Nc1cc(ccc1(F))S(=O)(=O)C(C)C)N(C(=O)NC)C	1.87
121822-75-1	O=C(N)NS(=O)(=O)Cc1ccccc1	0.24
121822-76-2	O=C(NC)NS(=O)(=O)Cc1ccccc1	0.54
121822-77-3	O=C(NS(=O)(=O)Cc1ccccc1)N(C)C	0.54
121822-78-4	O=C(NC)N(C)S(=O)(=O)Cc1ccccc1	1.18
121822-79-5	O=C(NC)NS(=O)(=O)c1cnccc1	-0.45
121822-80-8	O=C(NC)N(C)S(=O)(=O)c1cnccc1	0.42
121892-98-6	O=C1N=C(N=CN(C)C)C=CN1C2OC(CO)CC2	-0.95
122009-33-0	O=C2NN(C=NNc1ccccc1)C(C)(C)C2	0.26
122224-71-9	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4nc[nH]c4)CC5CCCCC5	2.2
122224-80-0	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCO)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4	1.94
122224-83-3	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CC(OCOC)C(OCOC)C2)Cc3ccccc3)Cc4nc[nH]c4)CC5CCCCC5	2.31
122224-84-4	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCOCOCCOC)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4	2.21
122224-98-0	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(c2ccccc2)CC(=O)N3CCOCC3)Cc4ncsc4)CC5CCCCC5	2.83
122224-99-1	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4n[nH]cc4)CC5CCCCC5	2.49
122225-00-7	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4cccs4)CC5CCCCC5	3.59
122266-90-4	O=S(=O)(N)c2cc1cc(CNCCOC)sc1s2	0.32
122266-93-7	O=S(=O)(N)c2cc1cc(CNCCO)sc1s2	-0.72
122266-99-3	O=S(=O)(N)c2cc1cc(CNCCSC)sc1s2	1.18
122267-01-0	O=S(C)CCNCc2cc1cc(sc1s2)S(=O)(=O)N	-0.44
122321-30-6	O=S(=O)(N)c1oc3c(c1)cc(CN2CCOCC2)s3	0.88
122321-32-8	O=S(=O)(N)c1oc2c(c1)cc(CNCCF)s2	0.34
122453-73-0	N#Cc2c(c1ccc(cc1)Cl)n(c(c2Br)C(F)(F)F)COCC	4.83
122568-02-9	O=C1NC(C=CN1C2OC(C=C2)CO)=S	-0.28
122568-03-0	O=C1NC(C(=CN1C2OC(CO)CC2)C)=S	0.44
122568-04-1	O=C1NC(C=CN1C2OC(CO)CC2)=S	-0.21
122970-35-8	OCC3OC(n2cnc1c2(nc(nc1Cl)N))CC3	0.21
123045-56-7	O=S(=O)(N)c1cccc(c1)C(C)C	1.81
123045-57-8	O=S(=O)(N)c1cccc(OCCCC)c1	2.06
123045-58-9	O=[N+]([O-])c1cc(ccc1(OCCCCCC))S(=O)(=O)N	2.99
123063-34-3	Oc1ccc(c(O)c1)CCCCCCCCCCCCC	6.84
123063-36-5	Oc1ccc(cc1(O))CCCCCCCCCCC	6.97
123134-25-8	OC2(c1cccc(OC)c1)(CCCCC2(CN(C)C))	2.57
123162-04-9	O=C(OCCN1CCOCC1)Nc2ccccc2(OC)	1.73
123162-05-0	O=C(OCCN1CCOCC1)Nc2cccc(OC)c2	2.19
123162-06-1	O=C(OCCN1CCOCC1)Nc2ccc(OC)cc2	1.7
123162-07-2	O=C(OCCN1CCOCC1)Nc2ccccc2(OCC)	2.27
123162-08-3	O=C(OCCN1CCOCC1)Nc2cccc(OCC)c2	2.5
123162-09-4	O=C(OCCN1CCOCC1)Nc2ccc(OCC)cc2	2.18
123297-69-8	O=C(Oc1ccc2OCOc2(c1))N(C)SN(C(=O)OCCCCCCCCCCCC)C	7.39
123331-83-9	O=CC1=CC2c3c(O)cc(cc3(OC(C)(C)C2(CC1)))C(C)(C)CCCCCC	8.03
123331-84-0	Oc1cc(cc2OC(C)(C)C3CCC(=CC3(c12))CO)C(C)(C)CCCCCC	7.83
123643-51-6	O=C1C=C3C(=CC=C1SC)c2c(OC)c(OC)c(O)cc2CCC3(NC(=O)C(F)(F)F)	2.61
123692-64-8	Fc1ccccc1C3OCC4ON=C(c2ccccc2)C4(CO3)	2.9
123692-66-0	FC(F)(F)c1ccccc1C3OCC4ON=C(c2ccccc2)C4(CO3)	4.31
123750-56-1	N=1OC3COC(OCC3(C=1c2ccccc2))c4ccccc4C	2.72
123822-90-2	O=C(O)C5=C(C)CSC4N5(C(=O)C4(NC(NC(=O)C1=NN(C(=O)NC1(=O))c2ccccc2)c3ccc(O)cc3))	1.26
123822-92-4	O=C(O)C5=C(C)CSC4N5(C(=O)C4(NC(=O)C(NC(=O)C1=NN(C(=O)NC1(=O))c2ccc(cc2)S(=O)(=O)N)c3ccc(O)cc3))	-0.39
123953-16-2	O=Cc1no[n+]([O-])c1C	1.02
123953-17-3	O=Cc1c(no[n+]1([O-]))C	1.29
124050-99-3	O=C3OC(c1ccccc1)(c2ccccc2)CC(=O)C3C(=NOCC)CCC	4.75
124051-00-9	O=C1OC(C(=CC)C)(C)CC(=O)C1C(=NOCC)CCC	3.4
124076-66-0	O(c1ccc(c(c1Cl)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl	6.47
124424-25-5	O=C1C=CN(C(=O)N1)C2OC(CO)CC2(F)	-0.87
124497-72-9	OC1(OCCN(C)C1)(c2ccccc2)	1.54
124497-73-0	OC1(OC(C)CN(C)C1)(c2ccccc2)	1.79
124497-74-1	OC1(OCCN(C)C1)(c2ccc(cc2)Br)	1.57
124497-75-2	OC1(OCCN(C)C1(C))(c2ccccc2)	1.92
124497-77-4	OC2OCCN(C)C2(c1ccccc1)	0.99
124497-78-5	FC(F)(F)c1cccc(c1)C2(O)(OCCN(C)C2)	1.39
124497-80-9	O1CCN(C)CC1(OCCC)c2ccccc2	2.13
124497-81-0	O(CC=C)C1(OCCN(C)C1)(c2ccccc2)	2.09
124497-82-1	C#CCOC1(OCCN(C)C1)(c2ccccc2)	1.87
124497-83-2	O(CC)C1(OCCN(C)C1(C))(c2ccccc2)	2.27
124497-85-4	O1CCN(C)CC1(OCCCC)c2ccccc2	2.23
124497-86-5	O1CCN(C)CC1(OCC(C)C)c2ccccc2	2.17
124700-70-5	O=C1C=CN=C(N1)SC	0.22
124725-22-0	O=C(NCC)c1cccn1C	1.09
124802-88-6	O=C(O)CCSC1=NS(=O)(=O)c2ccccc2(N1)	0.66
124802-90-0	O=C(O)CCSC1=NS(=O)(=O)c2cc(c(cc2(N1))Cl)Cl	1.81
124802-91-1	O=C(O)CCSC1=NS(=O)(=O)c2cc(ccc2(N1))Br	1.77
124802-92-2	O=C(O)CCSC1=NS(=O)(=O)c2cc(cc(c2(N1))Br)Br	2.04
124802-93-3	O=C(O)CCSC1=NS(=O)(=O)c2ccc(cc2(N1))C	1.16
124840-52-4	O=C(NCC1N(CCF)CCC1)c2c(O)c(cc(c2(OC))Cl)Cl	3.66
124850-85-7	O=C(O)CCSC1=NS(=O)(=O)c2ccc(cc2(N1))Cl	1.6
124850-87-9	O=C(O)CCSC1=NS(=O)(=O)c2ccc(OC)cc2(N1)	0.96
124850-88-0	O=C(O)CCSC1=NS(=O)(=O)c2ccc(cc2(N1))C(F)(F)F	1.96
124897-29-6	O=C(OCOC(=O)C)C1=CN(c2nc(ccc2(C1(=O)))C)CC	1.21
124897-30-9	O=C(OCOC(=O)CC)C1=CN(c2nc(ccc2(C1(=O)))C)CC	1.7
124979-37-9	O=C(OCCCCCCC)C1=CC(=O)NC(=O)N1	2.15
125111-04-8	O=C1NC(=O)N(C=C1(F))Cc2ccc(cc2)C	1.5
125111-05-9	O=C1NC(=O)N(C=C1(F))c2ccc(cc2Cl)Cl	1.96
125116-23-6	OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C)(C))	3.93
125225-28-7	OC3(Cn1ncnc1)(C(Cc2ccc(cc2)Cl)CCC3(C(C)C))	4.21
125306-83-4	O=C(n1nc(nc1)S(=O)(=O)c2c(cc(cc2C)C)C)N(CC)CC	3.21
125328-80-5	O=C(Nc1ccc(c(c1C)Cl)Br)C	2.69
125476-98-4	O=C(c1ccccc1C)CCN2CCCCC2	3.54
125573-05-9	O=C2c1[nH]cnc1N(C(=O)N2C)CC	0.52
125603-72-7	O=C(OCc1ccccc1)C3C(C=C2C(=O)SCC2)C3(C)(C)	4.02
125757-81-5	O=C1C=CN(C=C1(O))CC	-0.4
126055-13-8	O=C1C=CN(C(=C1(O))CC)CCO	-0.66
126055-14-9	O=C1C=CN(C(=C1(O))CC)CCOC	0.04
126479-61-6	O=NN(C(=O)NC1C(O)OC(CO)C(O)C1(O))C2CC(C)(C)N(=O)C2(C)(C)	1.81
126479-63-8	O=NN(C(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1(OC(=O)C))C2CC(C)(C)N(=O)C(C)(C)C2	2.27
126479-64-9	O=NN(C(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1(OC(=O)C))C2CC(C)(C)N(=O)C2(C)(C)	2.25
126502-17-8	FC3CC(OC3(n2cnc1c(ncnc12)NC))CO	0.27
126585-48-6	O=S(=O)(OCCC[Se]CCCOS(=O)(=O)C)C	0.38
126801-58-9	O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)Oc2ccccc2(OCC)	2.89
126813-40-9	O=[N+]([O-])c1cc(ccc1C([N+](=O)[O-])(C)C)S(=O)(=O)N(C)CCN(C)C	1.42
127025-29-0	O=S(=O)(N)c2cc1c(cc(CNCCOC)s1)s2	0.51
127142-14-7	n1ccccc1C(=NNC(NNC(Nc2ccccc2Cl)=S)=S)C	2.67
127356-05-2	O=S(c3ccc(c1nc2ncc(N)cc2([nH]1))c(OC)c3)C	0.33
127356-43-8	n1cc(N)cc2[nH]c(nc12)c3ccc(OC)cc3(OC)	1.62
127390-68-5	O=C(OC)c1c([nH]c(c1(C(=O)OC))C)c2nc(ccc2)Cl	2.65
127592-40-9	O=C1NC(=O)N(C=C1Cl)C2OC(CO)CC2	-1.11
127640-90-8	O=C(NC(c1ccc(cc1)Cl)C)C2(CC)(C(C)C2(Cl)Cl)	4.26
127697-59-0	O=C(OCCOCn2cnc1C(=O)NC(=Nc12)N)CCCC	0.37
127792-23-8	O=C(O)Cc2ccccc2(Nc1c(cccc1Br)Cl)	4.64
127792-24-9	O=C(O)Cc2ccccc2(Nc1c(cccc1I)Cl)	4.8
127792-31-8	O=C(O)Cc2ccccc2(Nc1cc(ccc1Cl)Cl)	4.94
127792-33-0	O=C(O)Cc2ccccc2(Nc1ccc(c(c1)Cl)Cl)	4.9
127836-03-7	O=C(Nc1cc(c(F)c(c1(F))Cl)Cl)C	2.9
127944-47-2	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)C)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4	2.85
127944-48-3	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CCOCC2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5	2.11
127944-49-4	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CC(O)C(O)C2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5	1.22
127944-50-7	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N(C)CC(O)CO)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4	1.42
127944-51-8	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCOC)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4	2.45
127944-52-9	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N(C)CCOCOC)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4	2.3
127944-53-0	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N(C)CCOCOC)Cc2ccccc2)Cc3nc[nH]c3)CC4CCCCC4	2.49
127944-54-1	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N(C)CCOCOCCOC)Cc2ccc(OC)cc2)Cc3nc[nH]c3)CC4CCCCC4	2.03
127944-55-2	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CC(OCOC)C(OCOC)C2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5	2.06
127944-56-3	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)N2CC(OCOCCOC)C(OCOCCOC)C2)Cc3ccc(OC)cc3)Cc4nc[nH]c4)CC5CCCCC5	1.67
127944-57-4	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CC(OCOCCOC)C(OCOCCOC)C2)Cc3ccccc3)Cc4nc[nH]c4)CC5CCCCC5	1.87
128104-25-6	Fc1ccc(cc1)C(O)(c2ccc(cc2)Br)Cn3cncc3	3.42
128104-27-8	Fc1ccc(cc1)C(O)(c2ccc(F)cc2)C(n3cncc3)C	3.13
128348-32-3	O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(cc2)C	1.63
128348-34-5	O=S(=O)(N)c1occ(c1)S(=O)(=O)c2ccc(cc2)C	1.49
128348-35-6	O=S(=O)(N)c1occ(c1)S(=O)(=O)c2ccc(OC)cc2	1.17
128348-42-5	O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(O)cc2	1.11
128348-43-6	O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2cccc(O)c2	1.4
128348-44-7	O=S(=O)(N)c1occ(c1)S(=O)(=O)c2ccc(O)cc2	-0.1
128496-09-3	O=C1N=C(N)C(F)=CN1C2OC(CO)CC2(F)	-0.92
128639-02-1	O=C(OCC)C(Cc1cc(c(F)cc1Cl)N2N=C(N(C2(=O))C(F)F)C)Cl	3.36
128887-24-1	N#Cc1cc(cnc1(OCC))c2ccncc2	2.59
128887-26-3	N#Cc1cc(c(nc1(OC))C)c2ccncc2	2.41
129016-38-2	O=C1C=CC(O)=NN1	-0.9
129309-69-9	O=C(O)COc1ccc(c(c1)Br)Cl	2.75
129625-27-0	O=C(OCOC(=O)CC)c2cc(c(cc2(NCc1occc1))Cl)S(=O)(=O)N	2.9
129865-48-1	OCCN2CC=C(c1ccccc1)CC2	2
130179-73-6	O=C(N)c3ccc(c1nc2cnccc2([nH]1))c(OC)c3	1.18
130292-50-1	N1=C(OC(C1)COc2cccc(c2)N(C)C)N	1.4
130292-52-3	N1=C(OC(C1)COc2ccc(cc2)N3CCOCC3)N	0.6
130336-12-8	O=C(NCCCN1CCOCC1)C(CC(O)C(NC(=O)C(NC(C(=O)N2CCC(OCOC)CC2)Cc3ccccc3)CCCC)CC4CCCCC4)C(C)C	4.5
130778-40-4	OC3CC4C(C)C(OCC)OC1OC2(OOC14(C(CC2)C3(C)))(C)	2.04
130778-42-6	OC1CC4(OOC23(C(OC(OCC)C(C)C3(CCC(C)C12))O4))C	2.7
130778-43-7	OCC3CCC4C(C)C(OCC)OC1OC2(OOC14(C3(CC2)))(C)	2.08
130787-06-3	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)C	2.45
130787-07-4	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)CCl	2.78
130787-08-5	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)C(Cl)Cl	3.4
130787-09-6	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)C(Cl)(Cl)Cl	4.12
130787-12-1	O=C(OCC)Nc1ccc2nn(nc2(c1))C3CCCC3	3.43
130787-13-2	O=C(OCC(C)C)Nc1ccc2nn(nc2(c1))C3CCCC3	4.28
130787-14-3	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccccc4	3.85
130787-15-4	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)Cl	4.11
130787-16-5	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(OC)cc4	4.03
130787-17-6	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)C(F)(F)F	4.95
130787-18-7	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)[N+](=O)[O-]	3.75
130787-19-8	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(c(c4)Cl)Cl	5.32
130787-20-1	O=C(Nc1ccc2nn(nc2(c1))C3CCCC3)c4cc(OC)c(OC)c(OC)c4	3.87
130787-21-2	O=S(=O)(Nc1ccc2nn(nc2(c1))C3CCCC3)C	2.44
130787-22-3	O=S(=O)(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(cc4)C	3.91
130787-23-4	O=[N+]([O-])c1ccc(cc1)S(=O)(=O)Nc2ccc3nn(nc3(c2))C4CCCC4	3.82
130787-24-5	O=S(=O)(Nc1ccc2nn(nc2(c1))C3CCCC3)c4ccc(N)cc4	2.48
130817-91-3	O=C(OC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	-1.88
130817-92-4	O=C(OCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	-1.3
130817-93-5	O=C(OC(C)C)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	-0.8
130817-94-6	O=C(OCCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	-0.47
130817-95-7	O=C(OCC(C)C)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	-0.44
130817-96-8	O=C(OCCCCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	0.71
130817-97-9	O=C(OCCCCCCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	1.82
130817-98-0	O=C(OCC(CC)CCCC)n1cnc(c1)CC(NC(=O)C2NC(=O)CC2)C(=O)N3CCCC3(C(=O)N)	1.82
130817-99-1	O=C(OC1CCCCC1)n2cnc(c2)CC(NC(=O)C3NC(=O)CC3)C(=O)N4CCCC4(C(=O)N)	0.6
130818-00-7	O=C(OCc1ccccc1)n2cnc(c2)CC(NC(=O)C3NC(=O)CC3)C(=O)N4CCCC4(C(=O)N)	-0.11
130892-66-9	O(c1ccc(c(c1)Cl)Cl)c2c(cccc2Cl)Cl	5.7
130892-67-0	O(c1cc(c(cc1Cl)Cl)Cl)c2c(cccc2Cl)Cl	5.98
130927-06-9	O=CN(C(=C(CCOC(=O)OCC)SC(=O)OCC)C)CC3=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)C(=NOC)c1nc(N)sc1)C2SC3	3.34
131042-60-9	O=C1N(O)C(=O)C2(C1)(CCCC2)	-0.26
131042-61-0	O=C2N(OCc1ccccc1)C(=O)C3(C2)(CCCC3)	2.3
131067-26-0	O=C1OC(CN1CC)C(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc3ccccc3)Cc4ncn(c4)C)CC5CCCCC5	2.16
131073-11-5	n1ccc2oc(nc2(c1))c3ccc(OC)cc3(OC)	2.42
131138-20-0	O(c1cc(c(c(c1)Cl)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	7.11
131138-21-1	O(c1cc(ccc1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	6.22
131229-37-3	O=C1c3ccccc3(N=C2N1CN(C)C2C)	0.85
131229-38-4	O=C1c3ccccc3(N=C2N1CN(CC)C2C)	1.02
131229-39-5	O=C1c3ccccc3(N=C2N1CN(CCC)C2C)	1.4
131229-40-8	O=C1c3ccccc3(N=C2N1CN(CCCC)C2C)	1.6
131229-41-9	O=C1c3ccccc3(N=C2N1CN(CCO)C2C)	0.46
131229-42-0	O=C1c4ccccc4(N=C3N1CN(CCc2ccccc2)C3C)	1.8
131229-43-1	O=C1c4ccccc4(N=C3N1CN(Cc2ccccc2)C3C)	1.72
131229-44-2	O=C1c4ccccc4(N=C3N1CN(c2ccccc2)C3C)	1.79
131229-45-3	O=C1c4ccccc4(N=C3N1CN(c2ccc(OC)cc2)C3C)	1.73
131229-46-4	O=C1c4ccccc4(N=C3N1CN(c2ccc(cc2)C)C3C)	2.16
131341-86-1	N#Cc1c[nH]cc1c3cccc2OC(F)(F)Oc23	4.12
131374-19-1	O=C(C=C)NCCCN1CCSCC1	0.54
131402-49-8	O=C(OCn2ncc1C(=O)NC=Nc12)c3ccc(cc3)CN4CCN(C)CC4	1.47
131402-50-1	O=C(OCn2ncc1C(=O)NC=Nc12)c3cccc(c3)CN4CCN(C)CC4	1.49
131402-51-2	O=C(OCn2ncc1C(=O)NC=Nc12)c3ccc(cc3)CN(C)C	1.05
131402-52-3	O=C(OCn2ncc1C(=O)NC=Nc12)c3cccc(c3)Cn4cncc4	0.97
131524-16-8	O=C1C=C(OC(=C1(O))CCCC)C	1.92
131802-71-6	O=C(N)C(O)(c1ccccc1)CC	1.2
131807-57-3	O=C4OC(c2ccc(Oc1ccccc1)cc2)(C(=O)N4(Nc3ccccc3))C	4.65
131860-33-8	N#Cc3ccccc3(Oc2ncnc(Oc1ccccc1C(=COC)C(=O)OC)c2)	2.5
131983-72-7	OC2(C(=Cc1ccc(cc1)Cl)CCC2(C)(C))(Cn3ncnc3)	3.29
132101-77-0	O=C(NCCN1CCOCC1)CC(O)C(NC(=O)C(NC(=O)C(CC(=O)N2CCOCC2)Cc4cccc3ccccc34)CCCCNC(NC)=S)CC5CCCCC5	1.68
132101-88-3	O=C(NCCN1CCOCC1)CC(O)C(NC(=O)C(NC(=O)C(Cc2ccc3ccccc3(c2))Cc5cccc4ccccc45)CC#CCNC(NC)=S)CC6CCCCC6	5.46
132101-89-4	O=C(NCCN1CCOCC1)CC(O)C(NC(=O)C(NC(=O)C(Cc2ccc3ccccc3(c2))Cc5cccc4ccccc45)CC#CCNC(=N)N[N+](=O)[O-])CC6CCCCC6	4.73
132101-91-8	O=CNCC#CCC(NC(=O)C(Cc1ccc2ccccc2(c1))Cc4cccc3ccccc34)C(=O)NC(CC5CCCCC5)C(O)CC(=O)NCCN6CCOCC6	5.44
132133-10-9	N#Cc2cc(C#N)c(nc2(Nc1c(cc(cc1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]))C	2.8
132169-99-4	O=C(O)CN(CC(=O)O)CC(=O)Nc1c(ccc(c1C(C)C)Br)C(C)C	0.2
132170-00-4	O=C(O)CN(CC(=O)O)CC(=O)Nc1c(ccc(c1C)Br)C	-0.28
132194-21-9	Fc3nc(nc1c3(ncn1C2OC(CO)CC2))N	-0.05
132194-23-1	OCC3OC(n2cnc1c2(nc(nc1I)N))CC3	0.52
132194-24-2	Fc3ncnc1c3(ncn1C2OC(CO)CC2)	0
132194-25-3	OCC3OC(n2cnc1c2(ncnc1Br))CC3	0.35
132213-87-7	O(c1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC)CCCCN	8.38
132213-88-8	O=S(=O)(Nc3cc(O)c1c(OC(C)(C)C2CC=C(C)CC12)c3)C	3.12
132213-90-2	O=C1c5ccccc5(C(=O)CN1CCCCCOc2cc(cc3OC(C)(C)C4CC=C(C)CC4(c23))CCCCC)	9.07
132213-91-3	O(c1cc(cc2OC(C)(C)C3CC=C(C)CC3(c12))CCCCC)Cc4ccc(cc4)c5ccccc5	10.89
132213-93-5	O(c1cc(cc2OC(C)(C)C3CCC(=C)CC3(c12))CCCCC)Cc4ccc(cc4)c5ccccc5	11.29
132296-11-8	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCCC	7.18
132296-12-9	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCCCC	8.16
132296-13-0	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCCCCCCC	8.42
132296-14-1	Oc1cc(ccc1C2CC(O)CCC2(C))C(C)(C)CCCCCC	7.49
132296-15-2	Oc1cc(ccc1C2CC(O)CCC2(CCCCO))C(C)(C)CCCCCC	6.68
132296-16-3	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)C	4.05
132296-17-4	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CC	4.32
132296-18-5	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCC	4.82
132296-19-6	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCC	5.43
132296-20-9	Oc1cc(ccc1C2CCCC(O)C2)C(C)(C)CCCCC	5.97
132390-57-9	N#Cc1cccc(C=CC(=O)C)c1	1.59
132452-02-9	OC2CCC3CCc1ccccc1C3(NC)(C2)	2.37
132453-02-2	c1ccc2c(c1)CC3CCCC(C)C23(NCC)	3.8
132453-06-6	O(c1ccc2c(c1)C3(NC)(CCCCC3(CC2)))C	3.75
132453-23-7	O2c1ccccc1C3(NC)(CCCCC3(C2))	3.31
132453-25-9	NCC2CCC3(NC)(c1ccccc1CC3(C2))	1.84
132453-26-0	c1ccc2c(c1)CC3CC(CNC)CCC23(NC)	2.48
132453-38-4	c1ccc2c(c1)C3(NC)(CCCCC3(CS2))	3.88
132453-63-5	O=C(Nc1nc(cnc1)Cl)C	1.1
132483-29-5	O=C(O)C(c1ccc(cc1)c2nc(cs2)c3ccccc3)C	4.95
132483-32-0	O=C(O)C(c1ccc(cc1)c2nccs2)C	2.79
132483-33-1	O=C(O)C(c2ccc(c1nccs1)c(c2)Cl)C	3.39
132483-34-2	O=C(O)C(c1ccc(c(F)c1)c2nccs2)C	3.14
132483-36-4	O=C(O)C(c1ccc(c(c1)C)c2nccs2)C	3.06
132483-39-7	O=C(O)C(c2ccc(c1nccs1)c(c2)C(F)(F)F)C	3.06
132483-42-2	O=C(O)C(c1ccc(cc1)c2nc(cs2)C)C	3.03
132483-43-3	O=C(O)C(c1ccc(cc1)c2ncc(C)s2)C	3.15
132483-44-4	O=C(O)C(c1ccc(cc1)c2nc(C=C)cs2)C	3.62
132483-45-5	O=C(O)C(c1ccc(cc1)c2nc(cs2)C(F)(F)F)C	3.78
132483-46-6	O=C(O)C(c1ccc(cc1)c2nc(c(C)s2)C)C	3.36
132483-47-7	O=C(O)C(c1ccc(cc1)c2nc(cs2)CC)C	3.75
132483-50-2	O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)N)C	2.17
132483-51-3	O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)NC)C	2.45
132483-52-4	O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)N(C)C)C	2.15
132483-55-7	O=C(O)C(c1ccc(cc1)c2nc(cs2)CCCC)C	4.83
132483-56-8	O=C(O)C(c1ccc(c(O)c1)c2nccs2)C	3.18
132483-57-9	O=C(O)C(c1ccc(c(OC)c1)c2nccs2)C	2.47
132483-58-0	O=C(O)C(c2ccc(c1nccs1)c(c2)SC)C	3.02
132483-59-1	O=C(O)C(c1ccc(c(c1)[N+](=O)[O-])c2nccs2)C	2.06
132483-60-4	O=C(O)C(c1ccc(c(N)c1)c2nccs2)C	2.45
132483-61-5	O=C(O)C(c1ccc(cc1)c2nc(cs2)C(=O)C)C	2.65
132659-49-5	O=C1NCC2CNC(=O)C2(C1)	-2.06
132722-90-8	FC3CC(OC3(n2cnc1cncnc12))CO	-0.4
132722-91-9	FC3CC(OC3(n2cnc1c(nc(nc12)C)N))CO	0.12
132722-92-0	FC3CC(OC3(n2cnc1c(nc(nc12)C)NC))CO	0.64
132722-93-1	O=C(Nc3ncnc1c3(ncn1C2OC(CO)CC2(F)))c4ccccc4	0.73
132722-94-2	FC3CC(OC3(n1c2ncnc(N)c2(nc1C)))CO	0.1
132722-95-3	FC3CC(OC3(n2cnc1c2(ncnc1Cl)))CO	0.32
132765-80-1	O=C(N)C(NC(=O)C(NC(=O)C)C)C(C)C	-1.13
132765-81-2	O=C(N)C(NC(=O)C(NC(=O)C)CC(C)C)C(C)C	0.26
132765-82-3	O=C(N)C(NC(=O)C(NC(=O)C)C(C)CC)C(C)C	0.16
132765-83-4	O=C(N)C(NC(=O)C(NC(=O)C)C(C)C)C(C)C	-0.32
132765-84-5	O=C(N)C(NC(=O)C(NC(=O)C)CC(C)C)C(C)CC	0.68
132765-85-6	O=C(N)C(NC(=O)C(NC(=O)C)C(C)C)C	-1.14
132765-86-7	O=C(N)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C(C)C	0.73
132765-87-8	O=C(NC(C(=O)NC(C(=O)N)C(C)C)CO)C	-1.53
132765-88-9	O=C(N)C(NC(=O)C(NC(=O)C)CO)Cc1ccccc1	-0.79
132765-89-0	O=C(N)C(NC(=O)C(NC(=O)C)C(O)C)C(C)C	-1.25
132765-90-3	O=C(NC(C(=O)NC(C(=O)N)C(C)CC)C(O)C)C	-0.86
132765-91-4	O=C(N)CCC(NC(=O)C)C(=O)NC(C(=O)N)C(C)C	-1.85
132765-92-5	O=C(N)CCC(NC(=O)C)C(=O)NC(C(=O)N)CC(C)C	-1.32
132765-93-6	O=C(N)CCC(NC(=O)C)C(=O)NC(C(=O)N)Cc1ccccc1	-1.14
132765-94-7	O=C(N)CCC(NC(=O)C(NC(=O)C)Cc1ccccc1)C(=O)N	-1.03
132765-95-8	O=C(N)CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)N	-1.82
132765-96-9	O=C(N)CC(NC(=O)C(NC(=O)C)C(C)CC)C(=O)N	-1.41
132765-97-0	O=C(N)CC(NC(=O)C)C(=O)NC(C(=O)N)C(C)C	-1.85
132765-98-1	O=C(N)CC(NC(=O)C)C(=O)NC(C(=O)N)C(C)CC	-1.43
132765-99-2	O=C(N)CC(NC(=O)C)C(=O)NC(C(=O)N)Cc1ccccc1	-1.14
132766-00-8	O=C(N)CC(NC(=O)C(NC(=O)C)CC(C)C)C(=O)N	-1.3
132766-01-9	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C)C	-1.4
132766-02-0	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C)C(C)C	-0.67
132766-03-1	O=C(N)CNC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C(C)CC	-0.45
132766-04-2	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)CC(C)C)C(C)C	-0.14
132766-05-3	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)Cc1ccccc1)C	0.06
132766-06-4	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C(C)C)C(C)CC	-0.2
132766-07-5	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)CC)Cc1ccccc1)C	0.52
132766-08-6	O=C(N)C(NC(=O)C(NC(=O)CNC(=O)C)C)C(C)C	-1.56
132766-09-7	O=C(N)C(NC(=O)CNC(=O)C(NC(=O)C)C)Cc1ccccc1	-0.71
132766-10-0	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)CC)C)C(C)C	-0.21
132766-11-1	O=C(N)CNC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)C(C)CC	0.34
132766-12-2	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)C(C)C)C(C)CC	0.49
132766-13-3	O=C(N)CNC(=O)C(NC(=O)CNC(=O)C)CC(C)C	-1.23
132766-14-4	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C)C	-0.38
132766-15-5	O=C(N)CNC(=O)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C(C)CC	0.62
132766-16-6	O=C(N)C(NC(=O)CNC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)Cc3ccccc3	0.99
132766-17-7	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2c[nH]c1ccccc12)C)C(C)C	0.36
132766-18-8	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CO)Cc1ccccc1	0.23
132766-19-9	O=C(NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(O)C)CC(C)C)C	0.24
132766-20-2	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccc(O)cc1)CC(C)C	-0.04
132766-21-3	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccc(O)cc1)Cc2ccccc2	0.26
132786-14-2	N1=C(OC(C1)CN3CCN(c2ccc(OC)cc2)CC3)N	0.68
132899-69-5	O=C(Nc1cc(ccc1(OCC))[N+](=O)[O-])CC	1.85
132911-42-3	O=C(NC)c1ccc[nH]1	0.42
133445-74-6	O=S(=O)(N)c2cc1cc(CNCCS(=O)(=O)C)sc1s2	-0.26
133636-94-9	O=C(OC)c2cc(OC(=O)N1CCCC1)c(cc2Cl)Cl	3.95
133636-96-1	O=C(OC(C)C)c2cc(OC(=O)N1CCCC1)c(cc2Cl)Cl	4.67
133636-98-3	O=C(OC(C)C)c2cc(OC(=O)N1CCCC1)c(F)cc2Cl	4.22
133959-98-5	O=N1C(C=C(CN(C)CCN(C)C)C1(C)(C))(C)C	0.91
133960-00-6	O=N2C(C=C(CN1CCOCC1)CC2(C)(C))(C)C	1.14
134419-51-5	O=C(O)C1N(CC1)CC(O)Cn2cncc2	-2.02
134419-52-6	O=C(OC)C1N(CC1)CC(O)Cn2cncc2	-0.29
134419-53-7	OC(CNC1CCCCC1Br)Cn2cncc2	1.21
134917-52-5	O=C(O)CCSC1=NS(=O)(=O)c2cc(ccc2(N1))Cl	1.43
134917-53-6	O=C(O)CCSC1=NS(=O)(=O)c2cc(cc(c2(N1))Cl)Cl	1.79
135100-43-5	O=C1C=C(OC=C1(O))COCC	-0.38
135158-54-2	O=C(c2cccc1nnsc12)SC	3.1
135590-91-9	O=C(OCC)C2=NN(c1ccc(cc1Cl)Cl)C(C(=O)OCC)(C)C2	3.83
135600-74-7	O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))c3ccc(OC)cc3	1.38
135617-14-0	O=C(OCC2OC(N1C=C(C(=O)NC1(=O))I)CC2(O))c3ccc(cc3)[N+](=O)[O-]	1.24
135685-04-0	O=[N+]([O-])c1cc(ccc1C([N+](=O)[O-])(C)C)S(=O)(=O)N(C)CCN	0.65
135685-11-9	O=C(N)NOCc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C)CCNC	0.45
135733-30-1	[O-][n+]2onc(c1ccccc1)c2CO	1.77
135733-31-2	[O-][n+]2onc(c2(c1ccccc1))CO	1.64
135733-32-3	OCc1nonc1c2ccccc2	1.92
135733-34-5	O=Cc1c(no[n+]1([O-]))c2ccccc2	2.92
135733-35-6	O=Cc1no[n+]([O-])c1c2ccccc2	2.61
135832-36-9	O=C(OCCS(=O)(=O)c1ccc(s1)S(=O)(=O)N)C	0.11
135832-38-1	O=S(=O)(N)c1ccc(s1)SCCCCO	0.95
135832-39-2	O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCCCO	-0.34
135832-40-5	O=S(=O)(N)c1ccc(s1)S(=O)(=O)CCCNCC(C)C	-0.35
135832-41-6	O=S(=O)(N)c1ccc(cc1)SCCCCO	0.93
135832-42-7	O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCCCO	-0.6
135832-43-8	O=C(OC)c1cc(ccc1S(=O)(=O)CCO)S(=O)(=O)N	-0.47
135832-44-9	O=S(=O)(N)c1ccc(cc1)S(=O)(=O)CCNCC(C)C	0.23
135832-45-0	O=S(=O)(N)c1ccc(c(N)c1)S(=O)(=O)CCO	-0.6
135832-46-1	O=S(=O)(N)c1ccc(cc1)CCCO	0.17
135832-47-2	O=C(OCCCc1ccc(cc1)S(=O)(=O)N)C	0.98
135832-48-3	O=S(=O)(N)c1ccc(cc1)CCCCO	0.57
135832-50-7	O=S(=O)(N)c1ccc(cc1)CCCCCO	1.04
135832-51-8	O=C(OCCCCCc1ccc(cc1)S(=O)(=O)N)C	1.86
136050-74-3	O=C(NC(C(=O)OC)C)C1=CN(c2nc(ccc2(C1(=O)))C)CC	2.47
136191-64-5	O=C(OC)c2c(Oc1nc(OC)cc(n1)OC)cccc2(C(=NOC)C)	2.84
136309-02-9	n1cc(nc(c1)Cl)OCC	2.22
136309-03-0	n1cc(nc(c1)Cl)OCCC	2.71
136309-04-1	N#Cc1nc(cnc1)C	0.44
136309-05-2	n1cc(nc(OCC)c1)OC	1.98
136309-06-3	O=C(Nc1nc(OC)cnc1)C	0.82
136309-07-4	N#Cc1nc(OC)cnc1	0.95
136309-08-5	O=C(OCC)c1nc(OC)cnc1	1.2
136309-09-6	n1cc(nc(c1)N(C)C)OC	1.99
136309-10-9	O=C(OCC)c1nc(cnc1)N(C)C	1.24
136309-11-0	n1cc(ncc1OCC)Cl	1.99
136309-12-1	O=C(Nc1ncc(nc1)Cl)C	0.56
136309-13-2	n1cc(ncc1N(C)C)Cl	1.7
136309-14-3	n1cc(ncc1OC)N(C)C	1.65
136389-76-9	O=[N+]([O-])c3c(nn(c1ccccc1)c3(Nc2ccc(cc2)C))C	3.43
136389-77-0	O=[N+]([O-])c3c(nn(c1ccccc1)c3(Nc2cccc(c2)C))C	3.25
136389-80-5	O=[N+]([O-])c1ccc(cc1)Nc3c(c(nn3(c2ccccc2))C)[N+](=O)[O-]	2.78
136389-87-2	O=[N+]([O-])c3c(nn(c1ccccc1)c3(Nc2ccc(cc2)C(F)(F)F))C	3.89
136426-54-5	O=C2c4cc(F)ccc4(N=C(n1ncnc1)N2c3ccc(cc3Cl)Cl)	3.24
136832-80-9	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))C(C)(C)C	2.59
136832-82-1	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))c3ccccc3	3.03
136832-83-2	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OC	0.75
136832-84-3	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OC(C)C	1.72
136832-85-4	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OCC(C)C	2.38
136832-86-5	O=C(Oc1cccc(c1)C2(C(=O)CC)(CCN(C)CC2))OCCCC	2.42
136849-15-5	O=C(Nc1nc(OC)cc(n1)OC)NS(=O)(=O)Nc3ccccc3(C(=O)C2CC2)	2.05
136944-22-4	O=C(C=Cc1ccc(O)c(O)c1)Nc2ccc(OC)c(OC)c2	2.3
136944-23-5	O=C(C=Cc1ccc(O)c(O)c1)NCc2ccc(OC)c(OC)c2	1.99
136944-24-6	O=C(C=Cc1ccc(O)c(O)c1)NCCc2ccc(OC)c(OC)c2	2.07
136944-25-7	O=C(C=Cc1ccc(O)c(O)c1)CCC	2.61
136944-37-1	O=C(C=COc1ccc(O)c(O)c1)NCCCCCC	3.36
136944-43-9	Oc1cc2ccc(cc2(cc1(O)))CC	3.25
136944-48-4	O=C(NCCCC)c1ccc2cc(O)c(O)cc2(c1)	2.72
136944-52-0	Oc1cc2ccc(OCC)cc2(cc1(O))	2.7
136991-36-1	O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1)Cl	2.04
137057-42-2	O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)CC)C3(OC(=O)CC))CC	2.75
137057-43-3	O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)CCC)C3(OC(=O)CCC))CCC	4.07
137057-45-5	O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)C(C)C)C3(OC(=O)C(C)C))C(C)C	3.96
137057-57-9	O=C(OC1C(OC(CO)C1(OC(=O)CCCC))n3cnc2c(ncnc23)OC)CCCC	3.83
137057-62-6	O=C(OC1C(OC(CO)C1(OC(=O)C(C)(C)C))n3cnc2c(ncnc23)OC)C(C)(C)C	3.61
137057-67-1	O=C(OC2C(OC(CO)C2(OC(=O)Cc1ccccc1))n4cnc3c(ncnc34)OC)Cc5ccccc5	3.48
137057-69-3	O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)CCCC)C3(O))CCCC	3.58
137057-71-7	O=C(OCC3OC(n2cnc1c(ncnc12)OC)C(OC(=O)C(C)(C)C)C3(O))C(C)(C)C	3.4
137057-72-8	O=C(OCC4OC(n2cnc1c(ncnc12)OC)C(OC(=O)c3ccccc3)C4(O))c5ccccc5	3.39
137057-73-9	O=C(OCC4OC(n2cnc1c(ncnc12)OC)C4(OC(=O)c3ccc(OC)cc3))c5ccc(OC)cc5	3.65
137103-53-8	Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4	2.47
137103-54-9	Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ncccc3)Cn4cncc4	3.58
137103-55-0	Fc1ccc(c(F)c1)C(O)(c2ccc(cc2)c3cnccc3)Cn4cncc4	3.31
137103-59-4	Fc1ccc(cc1)C(O)(c2cccc(c2)c3ccncc3)Cn4cncc4	2.91
137103-63-0	OC(c1ccc(OC)cc1)(c2ccc(cc2)c3ccncc3)Cn4cncc4	3.55
137103-64-1	OC(c1ccc(cc1)c2ccncc2)(c3ccc(cc3)Cl)Cn4cncc4	3.27
137103-66-3	O=C(c1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4)C	2.41
137103-67-4	OC(c1ccc(cc1)c2ccncc2)(c3ccc(cc3)N(C)C)Cn4cncc4	3.29
137103-74-3	OCc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4	2.4
137128-33-7	Fc1ccc(c(F)c1)C(O)(c2ccc(cc2)c3ncccc3)Cn4cncc4	3.65
137302-31-9	O=C(NC(C(=O)NC(COC(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)CC=C)C(NS(=O)(=O)N3CCOCC3)Cc4ccccc4	3.17
137302-35-3	O=C(NC(C(=O)C(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)C(NC(=O)C(NS(=O)(=O)N3CCOCC3)Cc4ccccc4)CC=C	3.39
137302-63-7	O=C(NC(C(=O)C(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)C(NC(=O)C(NS(=O)(=O)N3CCOCC3)Cc4ccc(OC)cc4)CC=C	2.73
137429-62-0	O=C(NC(C(=O)C(F)(F)C(=O)NCCN1CCOCC1)CC2CCCCC2)C(NC(=O)C(NS(=O)(=O)N3CCN(C)CC3)Cc4ccccc4)CC=C	2.73
137605-59-5	O=C(NC(C(=O)NCC(=O)NC(C(=O)NC(C)(C)C)C)C)C	-0.6
137605-60-8	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)(C)C)C)C)C)C	-0.51
137605-62-0	O=C(NC(C(=O)N1CCCC1(C(=O)NC(C(=O)NC(C)(C)C)C))C)C	-0.39
137605-63-1	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)(C)C)C)Cc1ccccc1)C)C	1.01
137605-64-2	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C)(C)C)C)Cc2c[nH]c1ccccc12)C)C	1.26
137605-65-3	O=C(O)CC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(=O)NC(C)(C)C)C	-0.74
138324-57-9	O=C(NCC)c1ccccc1(OCC)	2.4
138324-58-0	O=C(c1ccccc1(OCC))N(C(C)C)C(C)C	3
138568-62-4	O=C(O)C(c2ccc(c1nccs1)c(c2)Br)C	3.35
138568-63-5	O=C(O)C(c1ccc(cc1)c2nc(cs2)C(C)C)C	4.29
138568-64-6	O=C(O)C(c1ccc(cc1)c2nc(cs2)CC=C)C	4.11
138568-65-7	O=C(O)C(c1ccc(cc1)c2nc(cs2)CO)C	2.25
138568-66-8	O=C(O)C(c1ccc(cc1)c2nc(cs2)COC)C	2.56
138568-67-9	O=C(O)C(c1ccc(cc1)c2ncc(CC)s2)C	3.72
138568-68-0	O=C(O)C(c1ccc(cc1)c2nc(c(C)s2)CC)C	3.99
138568-69-1	O=C(O)C(c1ccc(cc1)c3nc2c(CCCC2)s3)C	4.41
138568-70-4	O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)C)C	3.52
138568-71-5	O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)CC)C	4.16
138568-72-6	O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)C(C)C)C	4.62
138568-73-7	O=C(O)C(c1ccc(c(F)c1)c2nc(cs2)CCCC)C	5.24
138568-74-8	O=C(O)C(c1ccc(c(F)c1)c2ncc(C)s2)C	3.55
138568-75-9	O=C(O)C(c1ccc(c(F)c1)c2ncc(CC)s2)C	4.1
138568-76-0	O=C(O)C(c1ccc(c(F)c1)c2nc(c(C)s2)C)C	3.74
138568-77-1	O=C(O)C(c1ccc(c(F)c1)c2nc(c(C)s2)CC)C	4.44
138568-78-2	O=C(O)C(c2ccc(c1nc(cs1)C)c(c2)Cl)C	3.65
138568-79-3	O=C(O)C(c2ccc(c1nc(cs1)CC)c(c2)Cl)C	4.28
138568-80-6	O=C(O)C(c2ccc(c1nc(cs1)C(C)C)c(c2)Cl)C	4.78
138568-81-7	O=C(O)C(c2ccc(c1nc(cs1)CCCC)c(c2)Cl)C	5.36
138568-82-8	O=C(O)C(c2ccc(c1ncc(C)s1)c(c2)Cl)C	3.66
138568-83-9	O=C(O)C(c2ccc(c1ncc(CC)s1)c(c2)Cl)C	4.39
138568-84-0	O=C(O)C(c2ccc(c1nc(c(C)s1)C)c(c2)Cl)C	3.94
138568-85-1	O=C(O)C(c2ccc(c1nc(c(C)s1)CC)c(c2)Cl)C	4.62
138597-35-0	O=C1C=C(OC=C1(O))COCCCC	0.78
138597-46-3	O=C1C=C(OC=C1(O))COCCC	0.3
138686-07-4	O=C1NC(=O)N(C=C1Cl)C2OC(CO)CC2(F)	-0.28
138771-70-7	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc2ccccc2)Cc3ccccc3	2.3
138771-71-8	O=C(N)C(N(C(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc2ccccc2)C)Cc3ccccc3	2.63
138848-10-9	O=C1N=C(N=CN(C)C)C=CN1C2OC(CO)C(F)C2	-0.64
138848-11-0	O=C2N=C(N=CN1CCOCC1)C=CN2C3OC(CO)C(O)C3	-1.54
138848-12-1	O=C2N=C(N=CN1CCCC1)C=CN2C3OC(CO)C(O)C3	-1.02
138848-13-2	O=C1N=C(N=CN(CC)CC)C=CN1C2OC(CO)C(O)C2	-0.59
138848-15-4	O=C1N=C(N=CN(C(C)C)C(C)C)C=CN1C2OC(CO)C(O)C2	0.17
138926-22-4	O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCC(F)(F)CC2	3.57
139326-34-4	O=C(OC(C)C)CSc1ccc(cc1)[N+](=O)[O-]	2.79
139326-35-5	O=C(OC)CSc1ccc(cc1Cl)[N+](=O)[O-]	2.26
139326-36-6	O=C(OC(C)C)CSc1ccc(cc1Cl)[N+](=O)[O-]	3.2
139326-37-7	O=C(OC(C)C)CSc1ccccc1[N+](=O)[O-]	2.76
139326-38-8	O=C(OC)CSc1ccc(cc1[N+](=O)[O-])Cl	2.24
139326-39-9	O=C(OC(C)C)CS(=O)c1ccc(cc1)[N+](=O)[O-]	1.64
139326-40-2	O=C(OC)CS(=O)c1ccc(cc1Cl)[N+](=O)[O-]	1.35
139326-41-3	O=C(OC(C)C)CS(=O)c1ccc(cc1Cl)[N+](=O)[O-]	2.01
139326-42-4	O=C(OC)CS(=O)c1ccccc1[N+](=O)[O-]	0.74
139326-43-5	O=C(OC(C)C)CS(=O)c1ccccc1[N+](=O)[O-]	1.59
139326-44-6	O=C(OC)CS(=O)c1ccc(cc1[N+](=O)[O-])Cl	1.29
139326-45-7	O=C(OC(C)C)CS(=O)c1ccc(cc1[N+](=O)[O-])Cl	2.22
139326-46-8	O=C(OC)CS(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]	0.63
139326-47-9	O=C(OC(C)C)CS(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]	1.61
139326-48-0	O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	1.8
139326-49-1	O=C(OC)CS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-]	1.45
139326-50-4	O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1Cl)[N+](=O)[O-]	2.4
139326-51-5	O=C(OC(C)C)CS(=O)(=O)c1ccccc1[N+](=O)[O-]	1.72
139326-52-6	O=C(OC(C)C)CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])Cl	2.45
139359-10-7	O=C(OC(C)C)CSc1ccc(cc1[N+](=O)[O-])Cl	3
139359-11-8	O=C(OC(C)C)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]	2.81
139727-35-8	O=C2N(C)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)	2.76
139727-72-3	O=C2N(CCC)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)	3.4
139727-75-6	O=C(O)CN2C(=O)CC3CCC(C)C4CCC1(OOC34(C2(O1)))C	1.75
139733-55-4	O=C(N)COc2ccc(OCCNCC(O)COc1ccccc1)cc2	1.1
139733-59-8	O=C(NCCC)COc2ccc(OCCNCC(O)COc1ccccc1)cc2	2.4
139733-61-2	O=C(NC(C)C)COc2ccc(OCCNCC(O)COc1ccccc1)cc2	2.4
139733-77-0	O=C(NCCCO)COc2ccc(OCCNCC(O)COc1ccccc1)cc2	0.5
139733-95-2	O=C(NCc1ccccc1)COc3ccc(OCCNCC(O)COc2ccccc2)cc3	3.2
139734-21-7	O=C(N1CCCCC1)COc3ccc(OCCNCC(O)COc2ccccc2)cc3	2.6
139734-30-8	O=C(N2Cc1ccccc1CC2)COc4ccc(OCCNCC(O)COc3ccccc3)cc4	3.6
140111-43-9	n1ccc(cc1)C2=CCN(C)CC2	1.25
140706-47-4	O=C(Nc1nonc1(N))C	-0.23
140706-48-5	O=C(Nc1nonc1(N))c2ccccc2	1.41
140706-49-6	n1onc(NCC)c1N	0.51
141018-14-6	O=C1N=C(N=CN(CC)CC)C=CN1C2OC(CO)CC2	-0.06
141018-15-7	O=C1N=C(N=CN(CCC)CCC)C=CN1C2OC(CO)CC2	0.95
141018-16-8	O=C2N=C(N=CN1CCCCC1)C=CN2C3OC(CO)CC3	0.06
141018-17-9	O=C2N=C(N=CN1CCOCC1)C=CN2C3OC(CO)CC3	-0.97
141018-18-0	O=C2N=C(N=CN1CCCC1)C=CN2C3OC(CO)CC3	-0.47
141018-19-1	O=C1N=C(N=CN(CC)CC)C=CN1C2OC(CO)C(F)C2	0.23
141018-20-4	O=C1N=C(N=CN(CCC)CCC)C=CN1C2OC(CO)C(F)C2	1.35
141018-21-5	O=C1N=C(N=CN(C(C)C)C(C)C)C=CN1C2OC(CO)C(F)C2	1.14
141018-22-6	O=C2N=C(N=CN1CCCCC1)C=CN2C3OC(CO)C(F)C3	0.36
141018-23-7	O=C2N=C(N=CN1CCOCC1)C=CN2C3OC(CO)C(F)C3	-0.68
141018-24-8	O=C2N=C(N=CN1CCCC1)C=CN2C3OC(CO)C(F)C3	-0.16
141043-80-3	O=C1N=C(N=CN(C(C)C)C(C)C)C=CN1C2OC(CO)CC2	0.72
141112-29-0	O=C(c1cnoc1C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F	2.32
141249-30-1	O=C1N=C(N)C(=CN1C2OC(CO)CC2(F))Cl	-0.46
141249-32-3	O=C1NC(=O)N(C=C1(F))C2OC(CO)CC2(F)	-0.72
141605-11-0	O=C1C(=NN=C(N1(N))SC)C2CCOCC2	1.07
141605-15-4	O=C1C(=NN=C(N1(NC))C)c2cccc(OCC)c2	1.91
141605-16-5	O=C1C(=NN=C(N1(N))SC)c2cc(cc(c2)Cl)Cl	3.02
141605-18-7	O=C1C(=NN=C(N1C)S)c2cc(cc(c2)Cl)Cl	3.43
141605-19-8	O=C1C(=NN=C(N1(N))S)c2cc(cc(c2)Cl)Cl	2.67
141627-87-4	O=C1C(=NN=C(NC)N1(N))c2cc(cc(c2)Cl)Cl	1.91
141627-88-5	O=C1C(=NN=C(N1C)S)c2cccc(OCC)c2	2.67
141627-90-9	O=C1C(=NN=C(N1C)S)c2ccc(OC(F)(F)F)c(c2)Cl	3.61
142011-55-0	O=C(OCCC)n2c(nc1ccccc12)c3ncsc3	2.98
142011-56-1	O=C(OCC(C)C)n2c(nc1ccccc12)c3ncsc3	3.46
142312-58-1	O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)C(Cl)Cl	3.87
142312-59-2	O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4ccccc4	4.45
142312-60-5	O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4ccc(c(c4)Cl)Cl	5.85
142312-61-6	O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4cc(OC)c(OC)c(OC)c4	4.45
142312-62-7	O=C(Nc1ccc2nn(nc2(c1))C3CCCCC3)c4ccc(cc4)[N+](=O)[O-]	4.57
142312-63-8	O=C(Nc1ccc2nn(nc2(c1))C)CCl	1.22
142312-64-9	O=C(OCC)Nc1ccc2nn(nc2(c1))C	1.83
142312-65-0	O=C(Nc1ccc2nn(nc2(c1))C)c3ccccc3	2.44
142312-66-1	O=C(Nc1ccc2nn(nc2(c1))C)c3ccc(cc3)Cl	3.13
142312-67-2	O=C(Nc1ccc2nn(nc2(c1))C)c3ccc(cc3)[N+](=O)[O-]	2.53
142312-68-3	O=C(Nc1ccc2nn(nc2(c1))C)c3cc(OC)c(OC)c(OC)c3	2.38
142459-58-3	O=C(N(c1ccc(F)cc1)C(C)C)COc2nnc(C(F)(F)F)s2	3.2
142472-21-7	O=C(NCC)c1cocc1	0.72
142657-44-1	Fc1ccc(c(F)c1)C(O)(c2cccc(c2)Br)Cn3cncc3	3.6
142657-45-2	OC(c1ccccc1)(c2ccc(cc2)Br)Cn3cncc3	3.35
142657-51-0	O=C(Oc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4)C	2.61
142657-52-1	OC(c1ccc(cc1)c2ccncc2)(c3ccc(cc3)C(OC)(OC)C)Cn4cncc4	3.45
142657-53-2	Oc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)Cn4cncc4	2.49
142657-54-3	Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)CN4CCCC4	3.84
142688-52-6	O=C(NCCNc1nc(n[nH]1)N)C(CC(O)C(NC(=O)C(NC(C(=O)N2CCC(OCOC)CC2)Cc3ccccc3)CCCC)CC4CCCCC4)C(C)C	4.2
142698-98-4	Fc1ccc(cc1)C(O)(c2ccc(cc2)c3ccncc3)CN4CCOCC4	2.82
142707-91-3	O=C(NCCCNC(=O)C(CC(O)C(NC(=O)C(OC(C(=O)N1CCC(OCOC)CC1)Cc2ccccc2)CCCC)CC3CCCCC3)C(C)C)C	4.3
142707-93-5	O=C(N)NCCCNC(=O)C(CC(O)C(NC(=O)C(OC(C(=O)N1CCC(OCOC)CC1)Cc2ccccc2)CCCC)CC3CCCCC3)C(C)C	4.2
142708-11-0	N#CN=C(NC)NCCCNC(=O)C(CC(O)C(NC(=O)C(OC(C(=O)N1CCC(OCOC)CC1)Cc2ccccc2)CCCC)CC3CCCCC3)C(C)C	4.4
142708-13-2	O=C(NC(CC1CCCCC1)C(O)CC(C(=O)NCCCNc2nc(n[nH]2)N)C(C)C)C(OC(C(=O)N3CCC(OCOC)CC3)Cc4ccccc4)CCCC	4.3
142978-29-8	O=[N+]([O-])c2cnc(Nc1c(cc(cc1Cl)[N+](=O)[O-])[N+](=O)[O-])c(c2)Cl	2.6
142978-30-1	O=[N+]([O-])c2cc(c(Nc1ncc(cc1Cl)C(F)(F)F)c(c2)Cl)[N+](=O)[O-]	3.74
142978-32-3	O=[N+]([O-])c2cnc(Nc1c(cc(cc1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])c(c2)Cl	2.8
143121-06-6	O=C(Oc1ccccc1Cl)N2CCCC2	3.13
143121-07-7	O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N(CC)CC	3.95
143121-08-8	O=C(Oc1cc(O)c(cc1Cl)Cl)N2CCCC2	2.98
143121-09-9	O=C(Oc1cc2N=C(OCC#C)COc2(cc1Cl))N3CCCC3	2.93
143121-10-2	O=C(Oc1cc(OCC#C)c(cc1Cl)Cl)N2CCC(F)(F)C2	3.42
143202-51-1	O=C(N2c1ccc(cc1C3CN(C)CCC23)C)C	1.25
143288-61-3	O=C1NC(=O)C2(C(=O)N1)(CCCCCC2)	1.36
143288-62-4	O=C1NC(=O)C2(C(=O)N1)(CCCCCCC2)	1.79
143288-63-5	O=C1NC(=O)C2(C(=O)N1)(CCCCCCCCCC2)	3.15
143288-64-6	O=C1NC(=O)C2(C(=O)N1)(CCCCCCCCCCC2)	3.51
143359-96-0	O=C(Nc2ccccc2(Oc1ccccc1))C	2.37
143359-97-1	O=C(Nc1cccc(c1(OC))Cl)C	1.68
143359-98-2	O=C(Nc1cccc(c1(OC))C)C	1.28
143359-99-3	O=C(Nc1ccc(cc1Br)CCCC)C	3.39
143360-00-3	O=C(Nc1ccc(cc1C)CCCC)C	3.1
143360-01-4	O=C(Nc1ccc(cc1(OC))Br)C	2.02
143360-02-5	O=C(Nc1ccc(c(c1)C)CCCC)C	3.64
143360-03-6	O=C(Nc1ccc(OC)c(c1)CCC)C	2.72
143360-04-7	O=C(Nc1c(cccc1C(C)C)CC)C	2.1
143360-05-8	O=C(Nc1ccc(c(c1(F))Cl)Br)C	2.86
143360-06-9	O=C(Nc1ccc(c(c1Cl)C)Br)C	2.73
143360-07-0	O=C(Nc1cc(cc(c1(F))C(F)(F)F)Cl)C	3.15
143360-08-1	O=C(Nc1cc(cc(c1Cl)C(F)(F)F)Cl)C	3.27
143360-09-2	O=C(Nc1cc(cc(c1Cl)C(F)(F)F)Br)C	3.41
143360-10-5	O=C(Nc1cc(cc(c1Br)C(F)(F)F)Cl)C	3.26
143360-12-7	O=C(Nc1cc(cc(c1Cl)Cl)C(F)(F)F)C	3.27
143360-13-8	O=C(Nc1cc(cc(c1Br)Cl)Cl)C	3.04
143360-14-9	O=C(Nc1c(F)ccc(c1Br)C(F)(F)F)C	2.22
143360-15-0	O=C(Nc1cc(c(F)cc1(F))C(F)(F)F)C	2.34
143360-16-1	O=C(Nc1cc(c(cc1(F))Cl)C(F)(F)F)C	3.02
143360-17-2	O=C(Nc1cc(OCC=C)c(cc1(F))Cl)C	2.76
143360-18-3	O=C(Nc1cc(c(cc1(F))Br)C(F)(F)F)C	3.17
143360-19-4	O=C(Nc1cc(c(cc1Cl)Cl)C(F)(F)F)C	3.24
143360-20-7	O=C(Nc1cc(OC(F)(F)F)c(cc1Cl)Cl)C	3.71
143390-89-0	O=C(OC)C(=NOC)c1ccccc1COc2ccccc2C	3.4
143502-46-9	O=C(OCC)C(Oc2cc(Oc1ccc(cc1Cl)C(F)(F)F)ccc2[N+](=O)[O-])C	4.53
143502-47-0	O=C(OC)c1cc(ccc1[N+](=O)[O-])S(=O)(=O)c2ccc(cc2Cl)C(F)(F)F	3.57
143502-48-1	O=C(OC)c1cc(ccc1[N+](=O)[O-])S(=O)c2ccc(cc2Cl)C(F)(F)F	3.65
143509-51-7	O=S(=O)(N)c1cc(cs1)S(=O)(=O)c2ccc(cc2)CN3CCOCC3	0.98
143585-01-7	O=C1NC(=O)C(C(=O)N1)(C)CC=C	0.36
143585-02-8	O=C1NC(=O)C(C(=O)N1)(CC=C(C)C)C(C)(C)C	2.56
143632-83-1	O=C(NCCCCCCC)c1ccccc1	3.94
144106-11-6	O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)CCC	3.95
144106-12-7	O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)CCCC	4
144106-14-9	O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)C(C)C	3.77
144106-15-0	O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)C2CC2	3.01
144106-16-1	O=C(OC(COc1ccccc1(OCC=C))CNC(C)C)C=CC	3.65
144458-68-4	OC3CCN(CCCc1ccccc1COc2cccc(OC)c2)CC3	3.35
144458-69-5	OC3CCN(CCCc1ccccc1COc2ccccc2(OC))CC3	2.82
144458-70-8	OC3CCN(CCCc1ccccc1COc2ccc(OC)cc2)CC3	3.1
144458-71-9	OC3CCN(CCCc1ccccc1COc2cccc(OCC)c2)CC3	3.5
144458-72-0	OC3CCN(CCCc1ccccc1COc2ccccc2(OCC))CC3	3.1
144458-73-1	OC3CCN(CCCc1ccccc1COc2ccc(OCC)cc2)CC3	3.42
144458-76-4	OC3CCN(CCCc1ccccc1COc2ccc(cc2)C)CC3	3.5
144458-77-5	OC3CCN(CCCc1ccccc1COc2ccc(cc2)CC)CC3	3.75
144458-79-7	Fc3ccc(OCc1ccccc1CCCN2CCC(O)CC2)cc3	3.3
144458-83-3	OC3CCN(CCCc1ccccc1COc2cc(OC)c(OC)c(OC)c2)CC3	2.6
144458-84-4	OC3CCN(CCCc1ccccc1COc2ccccc2)CC3	3.21
144458-85-5	OC3CCN(CCCc1ccccc1CSc2ccccc2(OC))CC3	3.58
144458-86-6	OC3CCN(CCCc1ccccc1CSc2ccccc2)CC3	3.85
144458-87-7	Fc1ccc(cc1)SCc2ccccc2CCCN3CCOCC3	3.69
144458-88-8	O1CCN(CC1)CCCc2ccccc2CSc3ccccc3	3.8
144458-89-9	OC3CCN(CCCc1ccc(cc1)CSc2ccccc2)CC3	3.67
144458-90-2	Fc1ccc(cc1)SCc2ccc(cc2)CCCN3CCOCC3	3.51
144458-91-3	O1CCN(CC1)CCCc2ccc(cc2)CSc3ccccc3	3.62
144458-93-5	OCCN(CCO)CCCc1ccc(cc1)CSc2ccccc2	3.31
144458-94-6	O(c1ccccc1)Cc2cccc(c2)CN3CCCC3	3.75
144458-95-7	OC3CCN(Cc1cccc(c1)COc2ccccc2)CC3	2.77
144458-97-9	O(c1ccccc1)Cc2cccc(c2)CN3CCN(C)CC3	3.05
144458-98-0	O(c1ccccc1)Cc2cccc(c2)CN3COCCC3	2.75
144458-99-1	OCCN(Cc1cccc(c1)COc2ccccc2)CCO	2.33
144459-03-0	O(c1ccc(cc1)COCc2cccc(c2)CN3CCOCC3)C	2.83
144651-06-9	O=C(OC1COC1)c2ccccc2S(=O)(=O)NC(=O)Nc3nc(cc(n3)C)C	1.1
144722-84-9	N1=C(OC(C1)CN3CCN(c2cccc(OC)c2)CC3)N	0.87
144722-85-0	N1=C(OC(C1)CN3CCN(c2ccccc2(OC))CC3)N	0.76
144881-35-6	N1=C(OC(C1)CN3CCN(c2ccc(cc2)Cl)CC3)N	1.71
144881-36-7	N1=C(OC(C1)CN3CCN(c2ccc(c(c2)Cl)Cl)CC3)N	2.4
144881-39-0	N1=C(OC(C1)CN3CCN(c2ccc(cc2)C)CC3)N	1.23
144881-42-5	N1=C(OC(C1)CN3CCN(c2ccccc2Cl)CC3)N	1.87
144881-48-1	N1=C(OC(C1)CN3CCN(c2ccccc2(OCC))CC3)N	1.21
145066-95-1	O=C(O)c3ccccc3(c2oc1ccc(cc1c2Br)C)	5.19
145253-87-8	O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ccc[nH]3	1.6
145348-19-2	O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)C	1.77
145348-20-5	O=C(OCC)C1(CC1)S(=O)(=O)c2ccc(cc2)C	2.23
145348-21-6	O=C(OC(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)C	2.52
145348-22-7	O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl	2.03
145348-23-8	O=C(OC(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl	2.64
145348-24-9	O=C(OC(C)(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)Cl	2.68
145348-25-0	O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)Br	2.32
145348-26-1	O=C(OC)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]	1.33
145348-27-2	O=C(OC(C)C)C1(CC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]	2.05
145409-22-9	O=S(c1nonc1C)c2ccccc2	1.76
145409-23-0	O=S(c1no[n+]([O-])c1C)c2ccccc2	1.5
145409-24-1	[O-][n+]1onc(c1Cc2ccccc2)C	2.22
145409-25-2	O=S(c1ccccc1)c2c(no[n+]2([O-]))C	1.75
146252-75-7	c1ccc(cc1)C2=C(CC)SSC2=S	3.52
146252-77-9	C1=C(CCC)SSC1=S	2.83
147059-72-1	O=C(O)C1=CN(c2nc(c(F)cc2(C1(=O)))N3CC4C(N)C4(C3))c5ccc(F)cc5(F)	0.31
147064-42-4	O(c1ccc2c(c1)C3(NC)(CCCCC3(C2)))C	3.54
147064-47-9	c1ccc2c(c1)CC3(NC)(CC=CCC23)	3.28
147085-68-5	c1ccc2c(c1)CC3CCCCC23(NC)	3.38
147085-73-2	c1ccc2c(c1)CC3CCCCCC23(NC)	3.77
147085-74-3	c1ccc2c(c1)CC3CCCC(C)C23(NC)	3.44
147085-78-7	O(c1ccc2c(c1)CC3CCCCC23(NC))C	3.51
147085-80-1	NC23(c1ccccc1CC3(CCC2))	2.58
147085-85-6	c1ccc2c(c1)CC3(NC)(CCCCC23)	3.43
147085-89-0	C=C2c1ccccc1C3(NC)(CCCCC23)	3.79
147102-63-4	O(c1ccc(cc1Cl)Cl)c2cccc(c2Cl)Cl	5.88
147102-64-5	O(c1cc(cc(c1)Cl)Cl)c2ccc(cc2Cl)Cl	6.13
147128-62-9	NC23(Cc1ccccc1C3(CCCC2))	2.94
147267-64-9	O=C2C(N)=CC=C(c1ccccc1)N2CC(=O)NC(C(=O)C(F)(F)F)C(C)C	1.74
147750-25-2	O=C1OC(CCCCCCC)CC1C(=O)Nc2c(cccc2C(C)C)C(C)C	4.72
148351-86-4	O=C1C=CN(C(=C1(O))CC)C(C)C	0.73
148682-92-2	FC3CC2C4CCc1cc(O)ccc1C4(C(CC)CC2(C)C3(O)(C#C))	4.12
148727-67-7	NC23(c1ccccc1C(C)CC3(CC=CC2))	3.4
148727-74-6	O=C2c1ccccc1C3(NC)(CCCCC3(C2))	2.41
149151-27-9	O=Cn2cc(c1ccccc12)CC(NC(=O)CC3NC(=O)C5N(C3(=O))C4CCC5(CC4))C(=O)NC(C(=O)N(C)Cc6ccccc6)Cc7ccccc7	3.47
149151-29-1	O=C(NC(C(=O)NC(C(=O)N(C)Cc1ccccc1)Cc2ccccc2)Cc4cn(c3ccccc34)C(=O)C)CC5NC(=O)C7N(C5(=O))C6CCC7(CC6)	3.69
149151-30-4	O=C(OC)n2cc(c1ccccc12)CC(NC(=O)CC3NC(=O)C5N(C3(=O))C4CCC5(CC4))C(=O)NC(C(=O)N(C)Cc6ccccc6)Cc7ccccc7	4.05
149151-31-5	O=C(OCc1ccccc1)n3cc(c2ccccc23)CC(NC(=O)CC4NC(=O)C6N(C4(=O))C5CCC6(CC5))C(=O)NC(C(=O)N(C)Cc7ccccc7)Cc8ccccc8	5.66
149151-32-6	O=C(OC(C)(C)C)n2cc(c1ccccc12)CC(NC(=O)CC3NC(=O)C5N(C3(=O))C4CCC5(CC4))C(=O)NC(C(=O)N(C)Cc6ccccc6)Cc7ccccc7	5.33
149151-33-7	O=C(NC(C(=O)NC(C(=O)N(C)Cc1ccccc1)Cc2ccccc2)Cc4cn(c3ccccc34)C(=O)CCCCCCC)CC5NC(=O)C7N(C5(=O))C6CCC7(CC6)	7.29
149167-42-0	O=C(NCc1ccc(OC)cc1)C(=O)c3c[nH]c2ccc(cc23)[N+](=O)[O-]	2.17
149167-56-6	O=C(NCc1ccc(O)cc1)C(=O)c3c[nH]c2ccc(cc23)[N+](=O)[O-]	2.67
149440-26-6	O=S(C)CCCOc1ccc2ccccc2(c1)	2.42
149589-40-2	O=C(c2cccc(Oc1ccccc1)c2)N(C)CCC	3.44
149589-41-3	O=C(c2cccc(Oc1ccccc1)c2)N(C)CCCC	3.89
149589-42-4	O=C(c2cccc(Oc1ccccc1)c2)N(C)CCCCC	4.43
149589-43-5	O=C(c2cccc(Oc1ccccc1)c2)N(C)CCCCCC	5.01
150079-41-7	O=C(NCC)c1ccsc1	1.18
150224-24-1	c2cc(c1c(cc(c(c1Cl)Cl)Cl)c2Cl)Cl	6.8
150423-87-3	O=C(Nc1c(OC)cc(OC)cc1(OC))CC(=O)CCCCCCCCCCC	5.02
150423-89-5	O=C(N(c1c(OC)cc(OC)cc1(OC))C)C(C(=O)CCCCCCCCCCC)(C)C	6.67
150423-92-0	O=C(Nc1c(cccc1C(C)C)C(C)C)CC(=O)CCCCCCCCCCO	4.2
150900-05-3	O=C2N(OCc1ccc(OC)cc1)C(=O)C3(C2)(CCCC3)	2.23
150900-10-0	O=C1N(OC)C(=O)C2(C1)(CCCC2)	1.15
150900-11-1	O=C1N(OCC)C(=O)C2(C1)(CCCC2)	1.26
150900-12-2	O=C2N(Oc1ccccc1)C(=O)C3(C2)(CCCC3)	1.77
151360-54-2	O=C(Oc1cccc(OCC)c1)C	2.08
151360-55-3	O=C(Oc1c(cccc1CC)CC)C	3.4
151360-57-5	O=C(OC)c1c(F)cccc1Cl	2.42
154486-27-8	O=C(OC(C)COCCCC)COc1nc(F)c(c(N)c1Cl)Cl	4.17
155999-92-1	O(c1ccc(cc1Cl)Cl)c2cc(ccc2Cl)Cl	5.78
155999-93-2	O(c1cccc(c1)Cl)c2ccc(cc2Cl)Cl	5.65
155999-97-6	O(c1ccc(c(c1)Cl)Cl)c2c(c(cc(c2Cl)Cl)Cl)Cl	6.78
156242-70-5	n1c(nc(nc1C)C(Cl)(Cl)Cl)NCc2ccccc2	3.86
156741-78-5	O=C(OCCC)c1cocc1	2.36
156741-79-6	O=C(NCCC)c1cocc1	1.2
156741-80-9	O=C(NCC)c1ccc[nH]1	0.8
156741-81-0	O=C(NCCC)c1cccn1C	1.63
156741-82-1	O=C(NCC)c2c[nH]c1ccccc12	1.62
157468-39-8	O=C(O)C5OC(OC3OC1OC2(OOC14(C(CC2)C(C)CCC4(C3(C))))(C))C(O)C(O)C5(O)	1.44
157683-71-1	O(c1ccc(cc1)Cl)c2cccc(c2Cl)Cl	5.63
157683-72-2	O(c1ccc(cc1)Cl)c2c(cccc2Cl)Cl	5.3
157683-73-3	O(c1ccc(cc1Cl)Cl)c2cc(cc(c2Cl)Cl)Cl	6.54
157683-74-4	O(c1ccc(c(c1)Cl)Cl)c2c(cc(cc2Cl)Cl)Cl	6.44
158629-39-1	O=C(O)Cc2cnc(C(=O)c1ccc(cc1)[N+](=O)[O-])n2C	0.86
159553-68-1	O(c1ccc(c(c1)Cl)Cl)c2cc(cc(c2Cl)Cl)Cl	6.52
159553-69-2	O(c1ccc(c(c1)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl	6.31
159553-73-8	O(c1cc(c(c(c1Cl)Cl)Cl)Cl)c2c(ccc(c2Cl)Cl)Cl	6.98
160033-32-9	C1(=C(CC)SSC1=S)CC	3.51
160282-04-2	O(c1cc(cc(c1)Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	6.66
160282-05-3	O(c1ccc(cc1)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl	6.47
160282-07-5	O(c1cc(cc(c1)Cl)Cl)c2ccc(c(c2Cl)Cl)Cl	6.58
160282-08-6	O(c1cccc(c1Cl)Cl)c2cc(c(cc2Cl)Cl)Cl	6.22
160282-09-7	O(c1ccc(c(c1Cl)Cl)Cl)c2cc(ccc2Cl)Cl	6.51
160282-10-0	O(c1cccc(c1Cl)Cl)c2ccc(c(c2Cl)Cl)Cl	6.3
160622-77-5	O=C1NCCC2CNC(=O)C12	-1.95
160622-78-6	O=C(OCC)C1CNC(=O)CC1(C(=O)OCC)	0.07
160790-03-4	O=C(OC(C)C)C1(CCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]	2.36
160790-04-5	O=C(OC(C)C)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]	2.84
160790-05-6	O=C(OC(C)C)C1(CCCCCC1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-]	3.41
160790-06-7	O=C(OC)C1(CCC1)S(=O)(=O)c2ccc(cc2)Br	2.45
160790-07-8	O=C(OC)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Br	2.73
160790-08-9	O=C(OC)C1(CCCCC1)S(=O)(=O)c2ccc(cc2)Br	2.94
160790-09-0	O=C(OC)C1(CCC1)S(=O)(=O)c2ccc(cc2)Cl	2.28
160790-10-3	O=C(OC(C)C)C1(CCCC1)S(=O)(=O)c2ccc(cc2)Cl	3.16
160790-14-7	O=C(OCC)C1(CCC1)S(=O)(=O)c2ccc(cc2)C	2.31
160790-17-0	O=C(OC)C1(CCC1)S(=O)(=O)c2ccccc2	1.63
160790-18-1	O=C(OC)C1(CCCC1)S(=O)(=O)c2ccccc2	1.98
160790-19-2	O=C(OC)C1(CCCCC1)S(=O)(=O)c2ccccc2	2.3
161050-58-4	O=C(NN(C(=O)c1cc(cc(c1)C)C)C(C)(C)C)c2cccc(OC)c2C	3.7
161316-24-1	O=C(NC(CC1CCCCC1)C(O)CC(C(=O)NCCNc2noc(n2)N)C(C)C)C(OC(C(=O)N3CCC(OCOC)CC3)Cc4ccccc4)CCCC	4.5
161316-26-3	O=C(NCCN1(=O)(CCOCC1))C(CC(O)C(NC(=O)C(NC(C(=O)N2CCC(OCOC)CC2)Cc3ccccc3)CCCC)CC4CCCCC4)C(C)C	4.07
161316-36-5	O=C(NC(CC1CCCCC1)C(O)CC(C(=O)NCCNc2nc(n[nH]2)N)C(C)C)C(OC(C(=O)N3CCC(OCOC)CC3)Cc4ccccc4)CCCC	4
162320-67-4	Fc3cccc(F)c3(c1nnc(nn1)c2ccccc2Cl)	3.3
162853-24-9	O(c1ccccc1)c2cc(cc(c2Cl)Cl)Cl	5.62
162853-25-0	O(c1ccccc1)c2c(ccc(c2Cl)Cl)Cl	5.35
162853-26-1	O(c1ccccc1Cl)c2cc(c(cc2Cl)Cl)Cl	5.97
162853-27-2	O(c1ccc(c(c1)Cl)Cl)c2cccc(c2Cl)Cl	5.99
162853-28-3	O(c1cc(c(cc1Cl)Cl)Cl)c2cc(cc(c2Cl)Cl)Cl	6.65
163079-17-2	O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4cccc(c4)Cl	2.62
163079-19-4	O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4ccccc4[N+](=O)[O-]	2.27
163079-20-7	O=C(O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)COc4cccc(c4)[N+](=O)[O-]	2.19
163136-67-2	O=S2(=O)(N=C(Nc1cccnc12)C)	-0.91
163136-69-4	O=S2(=O)(N=C(Nc1ccncc12)C)	-0.41
163136-74-1	O=S2(=O)(N=C(N(c1ccncc12)C)C)	-0.8
163192-66-3	n1c3cc(ccc3([nH]c1c2ccc(OC)cc2(OC)))C	3.78
163192-67-4	O=[N+]([O-])c1ccc2[nH]c(nc2(c1))c3ccc(cc3C)C	4.1
163562-62-7	O=C(O)C5OC(OC3CC4C(C)C(OCC)OC1OC2(OOC14(C(CC2)C3(C)))(C))C(O)C(O)C5(O)	0.77
163562-63-8	O=C(O)C5OC(OCC3CCC4C(C)C(OCC)OC1OC2(OOC14(C3(CC2)))(C))C(O)C(O)C5(O)	1.05
163562-64-9	O=C(O)C5OC(OC1CC4(OOC23(C(OC(OCC)C(C)C3(CCC(C)C12))O4))C)C(O)C(O)C5(O)	1.73
164584-56-9	C1=C(C(=S)SS1)CCCC	3.7
164584-57-0	C1=C(C(=S)SS1)CCCCC	4.06
164584-59-2	C1(=C(CCC)SSC1=S)C	3.42
164584-60-5	O=C1C(=CSS1)CCC	2.38
164584-61-6	O=C1C=C(CC)SS1	1.69
164584-62-7	O=C1C=C(CCC)SS1	2.24
164584-63-8	O=C1C(=C(CC)SS1)CC	2.78
164584-64-9	O=C1C(=C(C)SS1)CCC	2.96
164584-65-0	O=C2C(c1ccccc1)=C(CC)SS2	3.15
169137-04-6	N1=C(OC(C1)COc2ccccc2C)N	1.69
169137-05-7	N1=C(OC(C1)COc2ccccc2Cl)N	1.77
169137-06-8	O=[N+]([O-])c2ccc(OCC1OC(=NC1)N)cc2	1.17
169137-07-9	O=[N+]([O-])c2cccc(OCC1OC(=NC1)N)c2	1.23
169137-08-0	N1=C(OC(C1)COc2ccccc2(OCC))N	1.24
169137-09-1	N1=C(OC(C1)COc2ccccc2(OC))N	0.85
171203-13-7	O=C2N(CC(C)C)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)	3.66
171203-14-8	O=C2N(CCCCC)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)	4.24
171203-15-9	O=C2N(CCC(C)C)C1OC3(OOC14(C(C2)CCC(C)C4(CC3)))(C)	4.16
171203-17-1	O=C3N(Cc1ccc(cc1)Cl)C2OC4(OOC25(C(C3)CCC(C)C5(CC4)))(C)	4.32
171203-19-3	O=C3N(CCCc1ccccc1)C2OC4(OOC25(C(C3)CCC(C)C5(CC4)))(C)	4.39
174359-79-6	O=C(NCCC)c1cccs1	1.68
174359-80-9	O=C(NCCC)c1ccsc1	1.65
174359-81-0	O=C(OCCC)c1ccsc1	3.03
174654-96-7	n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccc(cc3)Cl	2.03
174655-01-7	n1cc(c(c2c1nc(nc2(N))N)C)CNc3cc(ccc3C)C	2.29
174814-95-0	O=C(NC(C(=O)OC)C(C)CC)C1=CN(c2nc(ccc2(C1(=O)))C)CC	3.15
174814-96-1	O=C(OCC)CNC(=O)C1=CN(c2nc(ccc2(C1(=O)))C)CC	2.07
174814-97-2	O=C(NC(C(=O)OC)C(C)C)C1=CN(c2nc(ccc2(C1(=O)))C)CC	3.61
175601-23-7	n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccccc3	2.02
175601-25-9	n1cc(c(c2c1nc(nc2(N))N)C)CNc3cc(cc(c3)C)C	2.11
175601-31-7	O=C(c1ccc(cc1)NCc3cnc2nc(nc(N)c2c3C)N)C	1.45
175601-32-8	O=C(c1cccc(c1)NCc3cnc2nc(nc(N)c2c3C)N)C	1.46
175601-33-9	n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccccc3C	1.98
184951-34-6	O=C(NCCN2CCN(c1ccccc1(OC))CC2)C	0.5
184951-35-7	O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ccccc3	2.2
184951-36-8	O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3cccs3	2
184951-37-9	O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3occc3	1.6
184951-38-0	O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3cnccc3	1.2
184951-39-1	O=C(NCCN2CCN(c1ccccc1(OC))CC2)c3ncncc3	1.5
184951-42-6	O(c1ccccc1N3CCN(CCNC(C2CCCCC2)=S)CC3)C	3.7
184951-44-8	N=C(NCCN2CCN(c1ccccc1(OC))CC2)C3CCCCC3	3.4
184951-48-2	Fc1ccc(cc1)CCCCN3CCN(c2ccccc2(OC))CC3	4.8
184951-50-6	Fc1ccc(cc1)C=CCCN3CCN(c2ccccc2(OC))CC3	4.7
184951-52-8	Fc1ccc(cc1)COCCN3CCN(c2ccccc2(OC))CC3	3.6
184951-54-0	Fc3ccc(OCCCN2CCN(c1ccccc1(OC))CC2)cc3	4.1
185391-33-7	O=C(NCc1ccc(F)cc1)C(=O)c3c[nH]c2ccccc23	2.88
185676-84-0	C(#CCOC(c1ccc(OC)c(OC)c1)C)C	2.4
204708-07-6	O=C(C=Cc1ccccc1Cl)C(F)(F)F	3.5
204708-08-7	O=C(C=Cc1cccc(c1)Cl)C(F)(F)F	3.58
204708-09-8	O=C(C=Cc1ccc(cc1)Cl)C(F)(F)F	3.63
204708-10-1	O=C(C=Cc1ccccc1(OC))C(F)(F)F	3.39
204708-11-2	O=C(C=Cc1cccc(OC)c1)C(F)(F)F	3.05
204708-12-3	O=C(C=Cc1cccc(c1)[N+](=O)[O-])C(F)(F)F	2.66
212485-59-1	O=C(c1ccc(cc1)C)N(N=CC)c2ccccc2	3.6
212485-61-5	O=C(c1ccc(OC)cc1)N(N=CC)c2ccccc2	3.18
212485-63-7	O=C(c1ccc(cc1)[N+](=O)[O-])N(N=CC)c2ccccc2	3.08
212485-70-6	O=C(c1ccc(cc1)C)N(NC(Nc2ccccc2)=S)c3ccccc3	4.08
212485-72-8	O=C(c1ccc(OC)cc1)N(NC(Nc2ccccc2)=S)c3ccccc3	3.94
212485-74-0	O=C(c1ccc(cc1)[N+](=O)[O-])N(NC(Nc2ccccc2)=S)c3ccccc3	3.87
212485-85-3	O=C(c1ccc(cc1)C)N(NC(Nc2ccccc2)=S)C	3.01
212485-87-5	O=C(c1ccc(OC)cc1)N(NC(Nc2ccccc2)=S)C	2.56
212485-89-7	O=C(c1ccc(cc1)[N+](=O)[O-])N(NC(Nc2ccccc2)=S)C	2.68
215732-82-4	n1cc(c(c2c1nc(nc2(N))N)C)CNc3ccccc3(OCC)	2.07
2009-03-2	O=CNc1ccc2[nH]ccc2(c1)	1.07
968-21-8	O=C(O)C(NC(=O)C(N)CC(C)C)Cc1ccc(O)cc1	-1.94
1050-28-8	O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)Cc2ccc(O)cc2	-1.87
2577-40-4	O=C(O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2	-0.85
2578-81-6	O=C(O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)Cc3ccccc3	-0.02
3061-91-4	O=C(O)C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1	-2.52
3303-31-9	O=C(O)C(NC(=O)C(N)CC(C)C)CC(C)C	-1.46
3303-55-7	O=C(O)C(NC(=O)C(N)Cc1ccccc1)CC(C)C	-1.17
3511-16-8	O=C(O)C4N3C(=O)C(N1C(=O)C(NC1(C)C)c2ccccc2)C3SC4(C)(C)	0.95
3063-05-6	O=C(O)C(NC(=O)C(N)CC(C)C)Cc1ccccc1	-1.15
3918-94-3	O=C(O)C(NC(=O)C(N)C(C)C)C(C)C	-2.82
6403-35-6	O=C(O)C1N(C(=O)C(N)CC(C)C)CCC1	-1.76
6686-02-8	O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)Cc3ccccc3	-0.47
7669-65-0	O=C(O)C2N(C(=O)C(N)Cc1ccccc1)CCC2	-1.23
10329-75-6	O=C(O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)CC(C)C	-0.94
13116-21-7	O=C(O)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)Cc2ccccc2	-1.33
13123-35-8	O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)CC(C)C	-0.73
13485-59-1	O=C(O)C1N(C(=O)C(N)C)CCC1	-2.71
13589-02-1	O=C(O)C(NC(=O)C1NCCC1)Cc2ccccc2	-2.07
17355-10-1	O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)CC(C)C	-1.74
17355-18-9	O=C(O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccc(O)cc2	-1.68
19653-76-0	O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)Cc3ccc(O)cc3	-1.13
20368-24-5	O=C(O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)Cc1ccc(O)cc1	-1.34
20696-60-0	O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)Cc4c[nH]c3ccccc34	-0.27
24046-71-7	O=C(O)C(NC(=O)C(N)Cc2c[nH]c1ccccc12)C	-1.98
29727-65-9	O=C(O)C(NC(=O)C(N)C)C(C)CC	-2.6
36077-39-1	O=C(O)C(NC(=O)C(N)CC(C)C)CCSC	-1.87
40204-87-3	O=C(O)C(NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)Cc2ccccc2	-1.51
50370-12-2	O=C(O)C3=C(C)CSC2N3(C(=O)C2(NC(=O)C(N)c1ccc(O)cc1))	-2.06
51926-51-3	O=C(O)C(NC(=O)C1NCCC1)C(C)CC	-2.56
52899-07-7	O=C(O)C(NC(=O)C1NCCC1)CC(C)C	-2.41
53994-73-3	O=C(O)C3=C(CSC2N3(C(=O)C2(NC(=O)C(N)c1ccccc1)))Cl	-1.79
59881-08-2	O=C(O)C(NC(=O)C(NC(=O)C(N)CCSC)CC(C)C)Cc1ccccc1	-1.03
66317-22-4	O=C(O)C(NC(=O)C(NC(=O)C(N)C(O)C)C(C)C)CC(C)C	-1.97
109683-61-6	O=C(O)C1N(N=C(C(C)(C)C)S1)C(=O)C(NC(C(=O)OCC)CCc2ccccc2)C	1.62
90614-48-5	O=C(O)C(NC(=O)C1N(C(=O)C(N)C(C)CC)CCC1)C(C)CC	-1.65
