58
-1 O(C(=O)c1ccc(N)cc1)CCC    0.550
+2 CCCO   -0.145
+4 ClCCCl   -0.140
#6 OCC(CC)C    0.038
+7 S(C(N)=N)C   -0.602
#8 O(CC(O)CNC(C)(C)C)c1c2CCC(=O)Nc2ccc1   -0.400
-9 CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2    0.082
+10 O(C(c1ccccc1)c1ccccc1)CCN(C)C    1.260
-11 CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O   -1.165
#12 O1C(C=CC1N1C=C(C)C(=O)NC1=O)CO   -0.482
#13 Fc1cc2onc(c2cc1)C1CCN(CC1)CCC=1C(=O)N2C(=NC=1C)C(O)CCC2   -0.670
#15 O(C(=O)C)CCCC    0.277
#17 O1C(CO)C(N[NH+]=[N-])CC1N1C=C(C)C(=O)NC1=O   -0.720
+18 O(C(=O)C)CCC(C)C    0.554
+19 O=C1NC(=O)NC(=O)C1(CCC)CC    0.086
+20 O(C(C)(C)C)C    0.360
+21 O(C(=O)C)CCCCC    0.400
-23 C(Cl)(Cl)Cl    0.252
#24 Cl\C=C\Cl    0.040
-25 CN1C=NC2=C1C(=O)N(C(=O)N2)C    0.060
+26 Clc1cc2NC(=O)N(c2cc1)C1CCN(CC1)CCCN1c2c(NC1=O)cccc2   -0.850
#28 FC1CC(OC1CO)N1C=C(C)C(=O)NC1=O   -0.590
+31 O(C(C)(c1ccccc1)c1ncccc1)CCN(C)C    0.640
-32 s1cc(nc1NC(N)=N)C   -0.040
#33 O=C(Nc1c(cccc1C)C)CN(CC)CC    0.340
+34 S(Cc1ncccc1)CCNc1[nH]cc(Cc2ccccc2)c1[N+](=O)[O-]   -0.120
#36 Ic1ccc(N2CCN(CC2)CCCCCC)cc1    1.010
+37 s1ccnc1CCN   -0.420
#38 CN1C2=C(C(=O)N(C1=O)C)NC=N2   -0.341
-39 Oc1c2NC(=O)Cc2c(cc1)CCN(CCC)CCC   -0.430
-40 OC(COCF)C[N]1C=CN=C1[N+]([O-])=O   -0.010
+41 CCC(C)CC    1.010
-43 CCC1(C(=O)NC(=O)NC1=O)CCC(C)C    0.040
-44 C=COCC(F)(F)F    0.130
#45 CC1=CC=CC=C1    0.360
-49 CC1CCCC1    0.930
-50 CCCC(C)C1(C(=O)NC(=O)NC1=O)CC    0.125
+51 Cl\C=C/Cl   -0.130
+52 Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(O)=O)c1C   -1.260
#53 OCCCCC    0.203
+54 ClC(Cl)(Cl)CCl    0.330
#55 O(C(C)(C)C)CC    0.220
-56 ClCCN(CCCl)c1ccc(cc1)CCCC(O)=O   -1.700
#57 O(C(CC)(C)C)C    0.170
#58 O(C(=O)C)CC    0.003
+61 O=C(NCCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC=C3   -0.240
-62 OC1CCC2(C3C(CCC2C1(C)C)(C)C1(C(C2CC(CCC2(CC1)C)(C(O)=O)C)=CC3=O)C)C   -1.398
+64 OC(=O)c1ccc(cc1)-c1ccccc1   -1.260
#65 O=C(NC(CC)c1ccccc1)c1c2c(nc(-c3ccccc3)c1C)cccc2    0.300
+66 n1ccccc1CCN(C)C   -0.060
-67 CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3   -0.520
-68 N#CC=C   -0.400
-72 N(C(Cc1ccccc1)C)C    0.923
-73 OCC#C   -0.230
#74 Ic1cc(ccc1N)-c1sc2cc(O)ccc2n1    0.176
+75 Brc1cc(C)c(nc1)CCCCNC=1NC(=O)C(=CN=1)Cc1ccc(nc1)C   -1.880
+76 CCO   -0.160
+77 CC(C)O   -0.150
