X	y
CN(C)C(=O)c1ccc(cc1)OC	-11.0100
CS(=O)(=O)Cl	-4.8700
CC(C)C=C	1.8300
CCc1cnccn1	-5.4500
CCCCCCCO	-4.2100
Cc1cc(cc(c1)O)C	-6.2700
CC(C)C(C)C	2.3400
CCCC(C)(C)O	-3.9200
C[C@@H]1CCCC[C@@H]1C	1.5800
CC[C@H](C)O	-4.6200
C(Br)Br	-1.9600
CC[C@H](C(C)C)O	-3.8800
CCc1ccccn1	-4.3300
CCCCC(=O)OCC	-2.4900
c1ccc(cc1)S	-2.5500
CC(=CCC/C(=C\CO)/C)C	-4.7800
c1ccc2c(c1)CCC2	-1.4600
CCOc1ccccc1	-2.2200
c1cc(ccc1O)Br	-5.8500
CCCC(C)(C)C	2.8800
CC(=O)OCCOC(=O)C	-6.3400
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC	-6.1000
C1CCCC(CC1)O	-5.4800
COC(=O)C1CC1	-4.1000
c1ccc(cc1)C#N	-4.1000
CCCCC#N	-3.5200
CC(C)(C)O	-4.4700
CC(C)C(=O)C(C)C	-2.7400
CCC=O	-3.4300
CN(C)C=O	-7.8100
Cc1ccc(cc1)C	-0.8000
C=CCC=C	0.9300
Cc1cccc(c1C)Nc2ccccc2C(=O)O	-6.7800
CN(C)C(=O)c1ccccc1	-9.2900
CCNCC	-4.0700
CC(C)(C)c1ccc(cc1)O	-5.9100
CC(C)CCOC=O	-2.1300
CCCCCCCCCCO	-3.6400
CCC(=O)OCC	-2.6800
CCCCCCCCC	3.1300
CC(=O)NC	-10.0000
CCCCCCCC=C	2.0600
c1ccc2cc(ccc2c1)O	-8.1100
c1cc(c(cc1Cl)Cl)Cl	-1.1200
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	-23.6200
CCCC(=O)OC	-2.8300
c1ccc(c(c1)C=O)O	-4.6800
C1CNC1	-5.5600
CCCNCCC	-3.6500
c1ccc(cc1)N	-5.4900
C(F)(F)(F)F	3.1200
CC[C@@H](C)CO	-4.4200
c1ccc(c(c1)O)I	-6.2000
COc1cccc(c1O)OC	-6.9600
CCC#C	-0.1600
c1ccc(cc1)C(F)(F)F	-0.2500
NN	-9.3000
Cc1ccccn1	-4.6300
CCNc1nc(nc(n1)Cl)NCC	-10.2200
c1ccc2c(c1)Oc3cc(c(cc3O2)Cl)Cl	-3.5600
CCCCCCCCN	-3.6500
N	-4.2900
c1ccc(c(c1)C(F)(F)F)C(F)(F)F	1.0700
COC(=O)c1ccc(cc1)O	-9.5100
CCCCCc1ccccc1	-0.2300
CC(F)F	-0.1100
c1ccc(cc1)n2c(=O)c(c(cn2)N)Cl	-16.4300
C=CC=C	0.5600
CN(C)C	-3.2000
CCCCCC(=O)N	-9.3100
CC(C)CO[N+](=O)[O-]	-1.8800
c1ccc2c(c1)C(=O)c3cccc(c3C2=O)NCCO	-14.2100
C(CO[N+](=O)[O-])O	-8.1800
CCCCCCC(=O)C	-2.8800
CN1CCNCC1	-7.7700
CCN	-4.5000
C1C=CC=CC=C1	-0.9900
c1ccc2c(c1)Cc3ccccc3C2	-3.7800
CC(Cl)Cl	-0.8400
COc1cccc(c1)O	-7.6600
c1cc2cccc3c2c(c1)CC3	-3.1500
CCCCCCCCBr	0.5200
c1ccc(cc1)CO	-6.6200
c1c(c(=O)[nH]c(=O)[nH]1)Br	-18.1700
CCCC	2.1000
CCl	-0.5500
CC(C)CBr	-0.0300
CC(C)SC(C)C	-1.2100
CCCCCCC	2.6700
c1cnc[nH]1	-9.6300
c1cc2c(cc1Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl	-3.8400
CC[C@H](C)n1c(=O)c(c([nH]c1=O)C)Br	-9.7300
C(I)I	-2.4900
CCCN(CCC)C(=O)SCCC	-4.1300
C[N+](=O)[O-]	-4.0200
CCOC	-2.1000
COC(CCl)(OC)OC	-4.5900
CC(C)C	2.3000
CC(C)CC(=O)O	-6.0900
CCOP(=O)(OCC)O/C(=C/Cl)/c1ccc(cc1Cl)Cl	-7.0700
CCCCl	-0.3300
CCCSCCC	-1.2800
CCC[C@H](CC)O	-4.0600
CC#N	-3.8800
CN(CC(F)(F)F)c1ccccc1	-1.9200
[C@@H](C(F)(F)F)(OC(F)F)Cl	0.1000
C=CCCC=C	1.0100
Cc1cccc(c1)C	-0.8300
CC(=O)OC	-3.1300
COC(c1ccccc1)(OC)OC	-4.0400
CCOC(=O)c1ccccc1	-3.6400
CCCS	-1.1000
CCCCCC(=O)C	-3.0400
CC1(Cc2cccc(c2O1)OC(=O)NC)C	-9.6100
c1ccc(cc1)CBr	-2.3800
CCCCCC(=O)OCC	-2.2300
CCCOC	-1.6600
CN1CCOCC1	-6.3200
c1cc(cc(c1)O)C#N	-9.6500
c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl	-4.3800
CCCc1ccccc1	-0.5300
Cn1cnc2c1c(=O)n(c(=O)n2C)C	-12.6400
CNC	-4.2900
C(=C(F)F)(C(F)(F)F)F	2.9300
c1cc(ccc1O)Cl	-7.0300
C1CCNCC1	-5.1100
c1ccc2c(c1)ccc3c2cccc3	-3.8800
CI	-0.8900
COc1c(cc(c(c1O)OC)Cl)Cl	-6.4400
C(=C/Cl)\Cl	-0.7800
CCCCC	2.3000
CCCC#N	-3.6400
[C@@H](C(F)(F)F)(F)Br	0.5000
CC(C)Cc1cnccn1	-5.0400
CC[C@H](C)O[N+](=O)[O-]	-1.8200
c1ccc(cc1)c2cc(ccc2Cl)Cl	-2.4600
c1ccc(cc1)c2cc(c(c(c2Cl)Cl)Cl)Cl	-3.4800
CC[C@@H](C)C(C)C	2.5200
C[C@H](CC(C)C)O	-3.7300
C1CCOCC1	-3.1200
C1CC1	0.7500
c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl	-3.1700
C=C(Cl)Cl	0.2500
CC(C)CO	-4.5000
CCCOC(=O)CC	-2.4400
C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl	-0.6400
CSc1ccccc1	-2.7300
CCc1ccccc1O	-5.6600
CC(C)(C)Cl	1.0900
CC(=C)C=C	0.6800
Cc1ccc(cc1)C(C)C	-0.6800
Cn1ccnc1	-8.4100
C(CO)O	-9.3000
c1ccc(c(c1)Cl)Cl	-1.3600
c1c(=O)[nH]c(=O)[nH]c1Cl	-15.8300
CCCOC=O	-2.4800
c1ccc2c(c1)Oc3ccc(cc3O2)Cl	-3.1000
CCCCCC(=O)O	-6.2100
CCOC(=O)CCC(=O)OCC	-5.7100
Cc1ccnc(c1)C	-4.8600
C1CCC=CC1	0.1400
CN1CCN(CC1)C	-7.5800
c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl	-3.0400
C1=CC(=O)C=CC1=O	-6.5000
COC(=O)CCl	-4.0000
CCCC=O	-3.1800
CCc1ccccc1	-0.7900
C(=C(Cl)Cl)Cl	-0.4400
CCN(CC)CC	-3.2200
c1cc2c(cc1Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2	-4.1500
Cc1ccncc1C	-5.2200
c1(=O)[nH]c(=O)[nH]c(=O)[nH]1	-18.0600
c1ccc(cc1)C=O	-4.0200
c1ccnc(c1)Cl	-4.3900
C=CCCl	-0.5700
Cc1ccc(cc1)C(=O)C	-4.7000
C=O	-2.7500
Cc1ccccc1Cl	-1.1400
CC(=O)N1CCCC1	-9.8000
CC(OC)(OC)OC	-4.4200
CCCCc1ccccc1	-0.4000
CN(C)c1ccccc1	-3.4500
CC(C)OC	-2.0100
c12c(c(c(c(c1Cl)Cl)Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2	-4.5300
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	-2.9800
C(C(Cl)Cl)Cl	-1.9900
CNc1ccccc1	-4.6900
CC(C)OC(=O)C	-2.6400
c1ccccc1	-0.9000
c1cc(c(c(c1)Cl)Cl)Cl	-1.2400
CCOP(=S)(OCC)SCSc1ccc(cc1)Cl	-6.5000
COP(=S)(OC)SCn1c(=O)c2ccccc2nn1	-10.0300
c1ccc2c(c1)Oc3c(cc(c(c3O2)Cl)Cl)Cl	-4.0500
CC(=C)C(=C)C	0.4000
CCCCC=C	1.5800
S	-0.7000
CCOCC	-1.5900
CCNc1nc(nc(n1)SC)NC(C)C	-7.6500
CCCCOC(=O)c1ccc(cc1)O	-8.7200
CCCCCCOC(=O)C	-2.2600
C1CCC(=O)C1	-4.7000
CCCCC(=O)O	-6.1600
CCBr	-0.7400
Cc1ccc2cc(ccc2c1)C	-2.6300
CCCCCCO	-4.4000
c1ccc(cc1)c2ccccc2Cl	-2.6900
CC1=CCCCC1	0.6700
CCCCCCO[N+](=O)[O-]	-1.6600
C(Br)(Br)Br	-2.1300
CCc1ccc(cc1)O	-6.1300
CCCOCCO	-6.4000
c1ccc(cc1)OC=O	-3.8200
c1c(c(=O)[nH]c(=O)[nH]1)I	-18.7200
CCCC(=O)O	-6.3500
COC(C(F)(F)F)(OC)OC	-0.8000
C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	-20.5200
C(F)(F)(F)Br	1.7900
CCCCO	-4.7200
c1ccc(cc1)F	-0.8000
CCOC(=O)C	-2.9400
CC(C)COC(=O)C(C)C	-1.6900
CC(C)(C)OC	-2.2100
C1=C[C@@H]([C@@H]2[C@H]1[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl	-2.5500
CCC(=O)CC	-3.4100
COC(=O)C(F)(F)F	-1.1000
c1ccc2ccccc2c1	-2.4000
c1cc(c(c(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl	-4.4000
CC(=O)Oc1ccccc1C(=O)O	-9.9400
CC(=O)C(C)(C)C	-3.1100
COS(=O)(=O)C	-4.8700
CCc1ccncc1	-4.7300
CC(C)NC(C)C	-3.2200
c1cc2c(cc1Cl)Oc3ccc(cc3O2)Cl	-3.6700
CCCCCCCN	-3.7900
CC1CCCC1	1.5900
CCC	2.0000
C[C@H]1CCCO1	-3.3000
CNC(=O)Oc1cccc2c1cccc2	-9.4500
c1cc(cc(c1)O)C=O	-9.5200
c1ccc2cc3ccccc3cc2c1	-3.9500
C(Cl)Cl	-1.3100
CC(C)(C)C(=O)OC	-2.4000
C([N+](=O)[O-])(Cl)(Cl)Cl	-1.4500
C1CC[S+2](C1)([O-])[O-]	-8.6100
Cc1cccc(c1O)C	-5.2600
Cc1cccc(c1)O	-5.4900
c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)O)N	-9.5300
c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)N)N	-11.8500
CCCCCCCC(=O)C	-2.4900
CCCCN	-4.2400
CCCC(=O)OCC	-2.4900
Cc1ccc(cc1)N	-5.5700
CCCCCCI	0.0800
C(C(F)(Cl)Cl)(F)(F)Cl	1.7700
COP(=O)(OC)OC	-8.7000
c1cc(cc(c1)Cl)Cl	-0.9800
Cc1cc(c2ccccc2c1)C	-2.4700
CCCC(C)C	2.5100
CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl	-5.0400
C(C(F)(F)F)Cl	0.0600
C=C	1.2800
CCCCCI	-0.1400
COC(OC)OC	-4.4200
CCCCCCCCCC	3.1600
C[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]	-4.9500
CC=C	1.3200
Cc1c[nH]c2c1cccc2	-5.8800
COP(=O)([C@H](C(Cl)(Cl)Cl)O)OC	-12.7400
C1CCCCC1	1.2300
CC(=CCC/C(=C/CO)/C)C	-4.4500
CC(C)c1ccccc1	-0.3000
CC(C)C(C)C(C)C	2.5600
CC(C)C(=O)C	-3.2400
CCCCNCCCC	-3.2400
CCCCS	-0.9900
c1ccc2c(c1)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2	-3.8100
COc1c(c(c(c(c1Cl)C=O)Cl)OC)O	-8.6800
C1CCC(CC1)N	-4.5900
C(F)(F)Cl	-0.5000
COC(=O)c1ccc(cc1)[N+](=O)[O-]	-6.8800
CC(=O)c1cccnc1	-8.2600
CC#C	-0.4800
CCCCCCCCC=O	-2.0700
CCC(=O)O	-6.4600
C(Cl)(Cl)Cl	-1.0800
Cc1cccc(c1C)C	-1.2100
C	2.0000
c1ccc(cc1)CCl	-1.9300
CC1CCCCC1	1.7000
Cc1cccs1	-1.3800
c1ccncc1	-4.6900
CCCCCl	-0.1600
C[C@H]1CC[C@@H](O1)C	-2.9200
Cc1ccc(c(c1)OC)O	-5.8000
C1[C@H]([C@@H]2[C@H]([C@H]1Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl	-3.4400
Cc1ccccc1	-0.9000
CC(C)COC=O	-2.2200
CCOC(=O)c1ccc(cc1)O	-9.2000
CCOCCOCC	-3.5400
CCCCCOC(=O)CC	-2.1100
CCCc1ccc(cc1)O	-5.2100
CC=C(C)C	1.3100
C(CCl)Cl	-1.7900
CCC(C)(C)CC	2.5600
Cc1cc2ccccc2cc1C	-2.7800
Cc1cccc(n1)C	-4.5900
COC(C(Cl)Cl)(F)F	-1.1200
CCOCCOC(=O)C	-5.3100
COc1cccc(c1)N	-7.2900
c1cc(cnc1)C=O	-7.1000
CCC(C)(C)O	-4.4300
CCc1cccc(c1N(COC)C(=O)CCl)CC	-8.2100
Cn1cccc1	-2.8900
COCOC	-2.9300
CCC(CC)O	-4.3500
CCCCCCCCCC(=O)C	-2.1500
C(CBr)Cl	-1.9500
c1ccc(cc1)I	-1.7400
CC1=CC(=O)CC(C1)(C)C	-5.1800
CCI	-0.7400
CCCc1ccc(c(c1)OC)O	-5.2600
CC(C)Br	-0.4800
Cc1ccc(cc1)Br	-1.3900
c1cc(ccc1C#N)O	-10.1700
CS(=O)(=O)C	-10.0800
CCc1cccc(c1)O	-6.2500
CC1=CC[C@H](C[C@@H]1O)C(=C)C	-4.4400
c1cc(ccc1Br)Br	-2.3000
COc1c(ccc(c1C(=O)O)Cl)Cl	-9.8600
CC/C=C\C	1.3100
CC	1.8300
COc1ccccc1OC	-5.3300
CCSCC	-1.4600
c1cc(cnc1)C#N	-6.7500
c1cc(c(cc1O)Cl)Cl	-7.2900
COc1ccccc1	-2.4500
Cc1ccc(c(c1)O)C	-5.9100
c1cc(ccc1Cl)Cl	-1.0100
C(F)Cl	-0.7700
CCCC=C	1.6800
c1cc(c(c(c1Cl)Cl)Cl)Cl	-1.3400
CCCCCC#C	0.6000
CCCCCCCCC(=O)C	-2.3400
c1ccc(cc1)Cl	-1.1200
CN(C)CCOC(c1ccccc1)c2ccccc2	-9.3400
CCCCC=O	-3.0300
c1ccc(cc1)Oc2ccccc2	-2.8700
C1CCC(=O)CC1	-4.9100
CCCC[N+](=O)[O-]	-3.0900
c1cnccc1C=O	-7.0000
C(CCl)OCCCl	-4.2300
CC[N+](=O)[O-]	-3.7100
c1cc(cnc1)Cl	-4.0100
CBr	-0.8200
CO	-5.1000
CCCCCCC=O	-2.6700
c1cc(c(c(c1)Cl)c2c(cccc2Cl)Cl)Cl	-2.2800
c1ccc(c(c1)N)[N+](=O)[O-]	-7.3700
CN1CCCCC1	-3.8800
CCCCCCCC=O	-2.2900
c1ccc(cc1)[N+](=O)[O-]	-4.1200
C[C@@H]1CC[C@H](C(=O)C1)C(C)C	-2.5300
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	-25.4700
CF	-0.2200
CS(=O)C	-9.2800
c1ccc2c(c1)Oc3ccccc3O2	-3.1500
Cc1ccccc1N	-5.5300
CCCCBr	-0.4000
CCCCCCCCCO	-3.8800
Cc1ccncc1	-4.9300
C(=C(Cl)Cl)(Cl)Cl	0.1000
CC(C)(C)Br	0.8400
C=C(c1ccccc1)c2ccccc2	-2.7800
CCc1ccc(cc1)C	-0.9500
Cc1cccnc1	-4.7700
COCC(OC)(OC)OC	-5.7300
c1ccc-2c(c1)Cc3c2cccc3	-3.3500
CC(=O)N	-9.7100
COS(=O)(=O)OC	-5.1000
C(C(Cl)Cl)(Cl)Cl	-2.3700
COC(=O)C1CCCCC1	-3.3000
CCCCCCBr	0.1800
CCCCCCCBr	0.3400
c1ccc2c(c1)Oc3cccc(c3O2)Cl	-3.5200
COC(CC#N)(OC)OC	-6.4000
CC[C@H](C)Cl	0.0000
CCCCCCc1ccccc1	-0.0400
COc1cc(c(c(c1O)OC)Cl)C=O	-7.7800
c1cc(cc(c1)C(F)(F)F)C(F)(F)F	1.0700
c1ccc(cc1)Cn2ccnc2	-7.6300
c1ccc2c(c1)cccc2N	-7.2800
CCOC(=O)CC(=O)OCC	-6.0000
CC(=O)C1CC1	-4.6100
c1cc[nH]c1	-4.7800
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O	-9.4000
CC1CCC(CC1)C	2.1100
C1CCC(CC1)O	-5.4600
CN(C)CCC=C1c2ccccc2CCc3c1cccc3	-7.4300
c1cc(ccc1O)F	-6.1900
c1ccc(c(c1)N)Cl	-4.9100
Cc1ccc(c(c1)C)C	-0.8600
CCc1ccccc1C	-0.8500
C[C@@H]1CC[C@H](CC1=O)C(=C)C	-3.7500
c1ccc(cc1)c2ccccc2	-2.7000
Cc1cccc(c1C)O	-6.1600
COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]	-7.1900
CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]	-6.7400
CCN(CC)c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]	-5.6600
CSC	-1.6100
C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O	-10.7800
C1CCC(C1)O	-5.4900
CCCCC(=O)OC	-2.5600
CCCC(=C)C	1.4700
C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O	-8.4200
CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]	-7.9800
C=CCl	-0.5900
Cc1ccc(cc1)C(=O)N(C)C	-9.7600
CCCC(=O)CCC	-2.9200
COC(=O)c1ccccc1	-3.9200
Cc1ccc(cc1)C=O	-4.2700
CCCC(=O)OCCC	-2.2800
C1CNCCN1	-7.4000
CCOP(=S)(OCC)S[C@@H](CCl)N1C(=O)c2ccccc2C1=O	-5.7400
CCOCCO	-6.6900
CCC(C)CC	2.5100
Cc1cnccn1	-5.5100
CCC[N+](=O)[O-]	-3.3400
Cc1cc(cc(c1)C)C	-0.9000
c1c(c(=O)[nH]c(=O)[nH]1)F	-16.9200
CCO	-5.0000
Cc1ccc(c2c1cccc2)C	-2.8200
c1c2c(cc(c1Cl)Cl)Oc3cc(c(cc3O2)Cl)Cl	-3.3700
c1cc(c(c(c1)Cl)C#N)Cl	-4.7100
CCOC=O	-2.5600
c1c(c(cc(c1Cl)Cl)Cl)Cl	-1.3400
CCOC(OCC)Oc1ccccc1	-5.2300
c1cc(cc(c1)O)[N+](=O)[O-]	-9.6200
CCCCCCCCO	-4.0900
CCC=C	1.3800
C(Cl)(Cl)(Cl)Cl	0.0800
c1ccc(cc1)CCO	-6.7900
CN(C)C(=O)Nc1ccccc1	-9.1300
CSSC	-1.8300
C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)SC(Cl)(Cl)Cl	-9.0100
CC(=O)OCC(COC(=O)C)OC(=O)C	-8.8400
COC	-1.9100
CCCCCC	2.4800
C(CBr)Br	-2.3300
C(C(Cl)(Cl)Cl)(Cl)Cl	-1.2300
c1c(c(=O)[nH]c(=O)[nH]1)C(F)(F)F	-15.4600
Cc1cccc(c1N)C	-5.2100
CCCOC(=O)C	-2.7900
c1ccc2c(c1)cccn2	-5.7200
CCS	-1.1400
CCSSCC	-1.6400
c1ccsc1	-1.4000
CCc1cccc2c1cccc2	-2.4000
CCCC(=O)C	-3.5200
c1c(c(c(c(c1Cl)Cl)Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl	-4.6100
CCC[N@@](CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	-2.4500
CC(=O)O	-6.6900
CC=O	-3.5000
c1cc(cc(c1)[N+](=O)[O-])N	-8.8400
CCCCC#C	0.2900
COc1ccccc1N	-6.1200
c1ccc(cc1)O	-6.6000
CCC#N	-3.8400
c1ccc2c(c1)cccc2O	-7.6700
CCCCOC(=O)C	-2.6400
CC(C)(/C=N\OC(=O)NC)SC	-9.8400
Cc1ccccc1O	-5.9000
CC(C)C=O	-2.8600
CCC(=O)N	-9.4000
CCCBr	-0.5600
CC(C)Cl	-0.2500
C(CCl)CCl	-1.8900
c1cc(ccc1[N+](=O)[O-])O	-10.6400
C[C@@H](CCl)Cl	-1.2700
c1cc(ccc1N)Cl	-5.9000
c1ccc2c(c1)C(=O)c3cccc(c3C2=O)N	-9.4400
Cc1cccnc1C	-4.8200
c1cnccc1C#N	-6.0200
CCOP(=S)(OCC)SCSCC	-4.3700
CC(=O)C1CCCCC1	-3.9000
Cc1ccccc1C=O	-3.9300
CC(=O)c1ccncc1	-7.6200
c1c2c(cc(c1Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2	-3.7100
CC(=O)C	-3.8000
CC(=C)C	1.1600
c1cc(c(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl)Cl	-3.6100
CCCCC[N+](=O)[O-]	-2.8200
CCC/C=C/C=O	-3.6800
CN(C)C(=O)c1ccc(cc1)[N+](=O)[O-]	-11.9500
C1CCOC1	-3.4700
CCCCCCCC	2.8800
CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	-3.2500
CC(=CCC[C@](C)(C=C)OC(=O)C)C	-2.4900
C[C@@H](CCO[N+](=O)[O-])O[N+](=O)[O-]	-4.2900
CC(C)OC(C)C	-0.5300
CCCCC(C)C	2.9300
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)N(=O)=O	-5.2200
[C@@H](C(F)(F)F)(Cl)Br	-0.1100
CCCCOCCCC	-0.8300
CCCCCC1CCCC1	2.5500
CC(C)CC(C)C	2.8300
Cc1ccc(nc1)C	-4.7200
C/C=C/C=O	-4.2200
CCC[C@H](C)CC	2.7100
c1cc(c(c(c1)Cl)c2c(cc(cc2Cl)Cl)Cl)Cl	-1.9600
c1ccc(cc1)O[C@@H](C(F)F)F	-1.2900
COCCOC	-4.8400
CC[C@H](C)c1ccccc1	-0.4500
c1ccc(cc1)CCCO	-6.9200
CC[C@@H](C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]	-6.2300
COc1ccc(cc1)C(=O)OC	-5.3300
CCC(=O)Nc1ccc(c(c1)Cl)Cl	-7.7800
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O	-10.2100
C1(C(C(C1(F)F)(F)F)(F)F)(F)F	3.4300
CC(C)CCOC(=O)C	-2.2100
CCCCCCCl	0.0000
CC(C)CC(=O)C	-3.0500
CCCCCC=O	-2.8100
c1cc(cc(c1)Cl)N	-5.8200
C1COCCN1	-7.1700
CCOC(C)OCC	-3.2800
CCCC[N@](CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	-3.5100
CS	-1.2000
C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	-4.2300
CC(=O)c1ccc(cc1)OC	-4.4000
C=CCO	-5.0300
CCSC	-1.5000
CCCCCOC(=O)C	-2.5100
c1c(cc(c(c1Cl)Cl)Cl)Cl	-1.6200
CC(=O)c1ccccc1	-4.5800
CCCl	-0.6300
CCCC1CCCC1	2.1300
c1c(cc(cc1Cl)Cl)Cl	-0.7800
CCCOC(=O)c1ccc(cc1)O	-9.3700
c1cc(cc(c1)Cl)O	-6.6200
CC(C)CCO	-4.4200
CCCCCN	-4.0900
Cc1c(c(=O)n(c(=O)[nH]1)C(C)(C)C)Cl	-11.1400
CC(C)CCC(C)(C)C	2.9300
CCCCOCCO	-6.2500
C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl	-4.8200
c1ccc(cc1)C(=O)N	-11.0000
CC(C)[N+](=O)[O-]	-3.1300
C(C(CO)O)O	-13.4300
CCCI	-0.5300
COCCN	-6.5500
C(C(Cl)(Cl)Cl)Cl	-1.4300
CCC(=O)OC	-2.9300
C1CCCC1	1.2000
CCc1cccnc1	-4.5900
Cc1cc(cnc1)C	-4.8400
COCCO	-6.6200
COC=O	-2.7800
c1ccc2cc(ccc2c1)N	-7.4700
Cc1c[nH]cn1	-10.2700
Cc1cccc(c1)[N+](=O)[O-]	-3.4500
C(CCCl)CCl	-2.3200
CC(=O)CO[N+](=O)[O-]	-5.9900
CC(C)(C)c1ccccc1	-0.4400
CCCCCC(=O)OC	-2.4900
C[C@@H](C(F)(F)F)O	-4.1600
CCCCCBr	-0.1000
CCCCCCC=C	1.9200
CC1=CC(=O)[C@@H](CC1)C(C)C	-4.5100
CC(C)O	-4.7400
CCCCCCN	-3.9500
C(CO[N+](=O)[O-])CO[N+](=O)[O-]	-4.8000
Cc1ccc(c(c1)C)O	-6.0100
CCCCCO	-4.5700
CCC[C@@H](C)O	-4.3900
CCCC[C@@H](C)CC	2.9700
C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O	-7.0000
CCOC(=O)C[C@H](C(=O)OCC)SP(=S)(OC)OC	-8.1500
Cc1ccc(cc1C)O	-6.5000
Cc1cc(ccc1Cl)O	-6.7900
CCCC/C=C/C	1.6800
CCCOCCC	-1.1600
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C	-3.2000
CCNc1nc(nc(n1)SC)NC(C)(C)C	-6.6800
CC(C)CC(C)(C)C	2.8900
CCCCC(=O)CCCC	-2.6400
CCCCN(CC)C(=O)SCCC	-3.6400
CCCCCC=C	1.6600
CC(C)OC=O	-2.0200
CC(OC(=O)C)OC(=O)C	-4.9700
c1c(c(=O)[nH]c(=O)[nH]1)Cl	-17.7400
CC(=C)c1ccccc1	-1.2400
CCC(C)C	2.3800
CCCCO[N+](=O)[O-]	-2.0900
c1ccc(cc1)Br	-1.4600
CC(Cl)(Cl)Cl	-0.1900
CC(=C)[C@H]1CCC(=CC1)C=O	-4.0900
Cc1ccccc1[N+](=O)[O-]	-3.5800
CCCCCCCI	0.2700
c1cc2ccc3cccc4c3c2c(c1)cc4	-4.5200
CCCCCCl	-0.1000
CC(C)COC(=O)C	-2.3600
CCC(C)(C)C	2.5100
c1cc(ccc1N)N(=O)=O	-9.8200
COC(=O)CC#N	-6.7200
COc1ccc(cc1)N	-7.4800
CC(C)Cc1ccccc1	0.1600
c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl	-2.1600
CN	-4.5500
c1ccc(c(c1)O)Cl	-4.5500
c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)N	-11.5300
C(=C\Cl)\Cl	-1.1700
CCCCC(=O)C	-3.2800
C(CO[N+](=O)[O-])O[N+](=O)[O-]	-5.7300
c1ccc(c(c1)O)F	-5.2900
Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C	-9.4100
C=Cc1ccccc1	-1.2400
CCOP(=O)(OCC)OCC	-7.5000
C(C(F)(F)F)O	-4.3100
CCCCOC[C@H](C)O	-5.7300
CCCO	-4.8500
Cc1ccccc1C	-0.9000
CC(C)(C)C	2.5100
CCCC#C	0.0100
c1ccc2c(c1)C(=O)NC2=O	-9.6100
CCCCI	-0.2500
Cc1ccc(cc1)O	-6.1300
CC(C)I	-0.4600
COc1ccccc1O	-5.9400
C1CC=CC1	0.5600
C[C@H](C(F)(F)F)O	-4.2000
CCCN	-4.3900
c1ccc(c(c1)[N+](=O)[O-])O	-4.5800
Cc1cccc2c1cccc2	-2.4400
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl	-2.3300
CCCCC/C=C/C=O	-3.4300
CCCCCCC#C	0.7100
CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C	-6.4800
CCCCCCCC(=O)OC	-2.0400
C1CCNC1	-5.4800
c1cc(ccc1C=O)O	-8.8300
CCCCCCCCl	0.2900
C1COCCO1	-5.0600