smiles,gap
CCN1C2C3OC2C13,0.2855
c1[nH]c2c([nH]nc2n1)N,0.2103
COc1[nH]nc(n1)N,0.2472
CC(C)C(=NO)C(C)C,0.257
CC1C2CCC1(C)C2O,0.3312
O=COCC(C=O)C#C,0.2208
C1C23OC=NC12C1OC31,0.2144
c1cc(c(c(c1)N)N)N,0.2124
CC1(C#N)C2NC(=O)C12,0.2375
C1CC(C1)C2(CCC2)O,0.3196
CC12C3C4C(C14O)C23O,0.2827
Cn1cc(c(c1)O)O,0.2319
CC1CC(=O)COCO1,0.2179
Cc1[nH]c(cn1)CC#C,0.2416
COc1c2n(nn1)CC2,0.2255
Cc1c(c([nH]n1)O)NC,0.2534
N=C1OC(C#N)C2CC12,0.2745
c1c(c(oc(=O)n1)F)N,0.1559
CCNC(=O)C1CC1O,0.253
CCc1ccnc(n1)O,0.2147
CC1=C(NC=N1)C1CO1,0.2342
O=C1NC(C#N)C2CN12,0.2766
N=C1OCC2CC3C2N13,0.2712
CC(=O)C1CCOC1,0.2312
N=C1CC(=O)CN1C=O,0.1998
C#CCC1(CN1)C#C,0.2812
C#CCCN(C=O)C=O,0.2153
OC12C=CC3CC1C23,0.2367
Cc1c(c[nH]c1C#N)N,0.1862
CC1CC1(O)C1CO1,0.3239
CCC12OC3CC1CC23,0.3216
CC1CC=CCC11CO1,0.2686
FC1=NC(=N)N=C(F)O1,0.2361
C1C2CC3(CC4NC34)N12,0.3041
c1cn2c(n1)CCC2,0.2512
O=C1CCC2(CCO2)C1,0.2204
N1C=CN=CC=CN=C1,0.1777
COC1OC(=O)C=C1C,0.2229
CC12CC(C)(C1)OCO2,0.3247
OC12COC1C(=O)C=C2,0.1748
CC12CN1CC1OC21C,0.2948
OC1C(O)C2OCOC12,0.2931
CC1C2CC2C2COC12,0.318
Cc1c(c(n[nH]1)C)C=O,0.2071
CC12CC(C1)C2C(N)=O,0.2664
CC12CC3NC3(C)C1N2,0.3203
C#CCc1cc[nH]c1N,0.2363
c1nc(nnn1)O,0.1675
CC(O)C(CCO)C#N,0.3117
C#CCC1(CC1)C#N,0.3005
NC1=CC(=O)C2CC1O2,0.187
CC12CC(O)C(O)C1N2,0.2874
CC1OCC(C)(C)C1O,0.3045
CC1NC1(C=O)C1CC1,0.2186
C1CC(=NCCO)OC1,0.2596
CN1CC(O)C1=O,0.2678
N=C1NN=CN=CC1=O,0.1412
OCC12C3C4CC1C4N23,0.3057
CC(C)C12CC1(C)CO2,0.3027
c12c(n[nH]c1[nH]nn2)N,0.2007
OC1C(COC1=O)C=O,0.2273
COC(=O)CCC1CO1,0.2829
C1C2CC(C12)C1CCO1,0.3256
C1CC2CCC3OC23C1,0.3296
CC12OC3C4C(CC14)C23,0.3183
CC12CC1C1OCC1C2,0.3155
CCN=C1N=CNN=N1,0.165
N=CN1CC1(C=O)C#C,0.2102
CN(CCOC=N)C=O,0.2678
CC(O)C1N2CCC12C,0.2966
CC12C3C(N=CN13)C2=O,0.1988
CN1CCCC(O)C1=O,0.2605
c1cn(cn1)C=O,0.1969
OC1C2CC1C21CO1,0.312
C#CC1OC2CC1CO2,0.2836
COC1C2OC(=O)OC12,0.3065
CC1C2N3CC3C12C#N,0.2467
N#CC1CC2C3CC2C13,0.3425
C1C2C3C=CC1C1C3N21,0.2453
O=CCC12CC1CC=C2,0.2141
COC1CC2C(O)C2O1,0.2961
CN=COCCOC,0.277
N#CC1CC(C1)C#N,0.3194
OCC1OC(CO)C=C1,0.2413
O=COC(CC#N)C#N,0.2801
c1c(nc(c(n1)N)O)F,0.1748
CN1CC(=N)N(C)C1=O,0.2435
CC1NC1(CC=O)C#C,0.2179
O=C1CCC2OCC2O1,0.2734
CC1(C)CC(O)C2CN12,0.2972
CC1(O)C2C3NC3C12,0.2729
C(CO)c1c(non1)N,0.2122
OCC1NCC1=O,0.2163
CCC1OC(=NC)C1C,0.278
OCC1CCN2CC2C1,0.2891
CC12C3C4CC1(O)C2C34,0.2837
CC1COCC=C1C#C,0.2108
CC1CC2(CC2O)C1O,0.3049
CN=COc1cocn1,0.2198
CC(=O)C1(CN1)C#N,0.2327
ON=C1C2C3CC1CC23,0.2498
CC12OC(=N)C1C1NC21,0.2693
C#Cc1ccnc(c1)F,0.2052
O=C1C2COC2C11CO1,0.1954
CC(=O)NCC(=O)C#N,0.1629
OC1C2CN2C(=O)C1=O,0.1487
O=C1OCC2C(C#C)C12,0.2619
CCc1c(nn[nH]1)OC,0.2172
C#CC(=NO)CC1CC1,0.2065
OC12CC1C(O)(C2)C#N,0.2886
c1[nH]c(c(n1)N)O,0.2385
NC1=C(O)N=NNC1=O,0.1578
CCN1CC(N)C1C#N,0.2544
CC(=O)n1nc(nn1)O,0.1994
CCC1(O)COC1C#C,0.2703
c1c([nH]cn1)C2CCC2,0.2454
OC1CCCC11CCO1,0.2995
CC(C)C1C(C)C1(C)O,0.3095
CC1=CC(C)(O)CC1=O,0.1954
CC1C2(O)CC1(O)C=C2,0.2401
C1CC2OC1CC1OC21,0.3279
C1CC23OC2CNC3=N1,0.2422
CC1=C(C)C(CO)CC1,0.2534
CC1(C)CC1C1CCC1,0.335
c1coc2c1CC=C2,0.1794
CC1=C2NCC2OC1=O,0.2003
CC12C3C4C=C1CC4N23,0.1222
CCC1(NC1C#C)C#C,0.2544
CC12CC3C(O)C(C1)N23,0.2804
CC1(CN1)C1=CC=CO1,0.2297
C1C(CO1)(C(=O)N)N,0.2625
CC(C=O)C1NC1C=O,0.2214
C#CC1NC1CC1CC1,0.28
OC1C2C1C1OCC21,0.3043
CN=C1OC(C)CC1C,0.2721
CC1CN=C(C1)OC=O,0.2426
OC1CC11CC2CC12,0.3043
COC1OCC=CC=C1,0.1916
OCC12CCC3C1CC23,0.3369
OC1C2C3CC1CN23,0.3027
CC12OC3(C)C1CC23,0.3192
CC12CC3(C)C1CN23,0.3202
OCC1=NON=NC1=N,0.1754
CN=C1OC(C)OC1=O,0.1974
CC12CN1C(=O)C1CC21,0.2352
CNc1c(n[nH]c1O)N,0.2542
Cc1ccc(c(=O)[nH]1)F,0.1774
CC12NCC1C2(N)C#N,0.2661
CC12NC3C(C1=O)C23O,0.2275
ON=C1CC2C(O)C12,0.2438
OC12COC1C1COC21,0.2875
CCc1ccccc1,0.241
CC1NC(=O)C1(N)C#C,0.258
CC12C3CC1(CN23)C#C,0.2619
CC1COC(=N)C2NC12,0.2637
CCC1C2COC(C)C12,0.3229
OC1C2CC1(O)CC2O,0.3162
CN(C)C(=O)NCC#N,0.2646
C(C#N)N=C(C#N)N,0.2242
CC#CCc1cc[nH]c1,0.2504
CC12C3CC1(NC23)C#N,0.2522
FC(F)(F)C1(CN1)C=O,0.2263
CC12C3CC=C1COC23,0.1997
O=C1OC2COC12C#N,0.2354
c1c[nH]c(=O)cc1F,0.1857
CC12CC3(C)C1CC23O,0.3177
O=CC(CN1CC1)C#C,0.2128
O=C1C2CC3(C2)OCC13,0.222
N=C1NC=NC11COC1,0.2194
CC(O)C1CNC(=O)O1,0.3134
c1c-2n[nH]nnc2cn1,0.1295
CN=C1OCC2C1N2C,0.251
CC(C#N)N1CCC1,0.2676
CC1OC11C2NC1C=C2,0.2233
CCC1(CCO1)C(C)=O,0.2159
CC1NC(=O)NC1(C)C,0.306
CC(=O)N1CC(C1)(C)C,0.2684
CCC(=O)C1(CN1)C#C,0.2241
CC(=O)C(C)(C)CC#C,0.2284
COC1CC2CC2(C)C1,0.3268
CNC1(CC1)C(=O)C#N,0.1586
C1N2C3CC4CC2C13C4,0.291
O1C2C1C1OC21,0.2955
CCn1c(c(nn1)O)O,0.2194
O=C1NCCC2OCC12,0.2636
O=C1C2C3CC1(C#C)N23,0.2257
OC1CNC2=C1N=NN2,0.2214
CC1C(O)C1([NH3+])C([O-])=O,0.2672
c1c(c(n[nH]1)C#N)C#N,0.2319
OCCC1(CO)CN1,0.3116
CC1OC1C1=NNC=C1,0.2497
CC1C2C3CN3C12C#C,0.2386
CC1CCC2C3CC3C12,0.3149
C1CC2CCC=CC2=C1,0.1948
C1C2CCC3OCC1C23,0.3086
OC1CC(=O)CC11CC1,0.2186
C1C(CC(=O)C1=O)CO,0.1429
CCC(C)C1(C)CC1O,0.3301
COC(C=O)C1CC1O,0.2114
CN=C1COC(O1)C#C,0.2705
C1CC1C(=O)C(=N)N,0.1845
CC1CC(C)(C1)OC=O,0.2764
OC1CNC2C1OC2=O,0.2368
CN=COCCC1CC1,0.2728
Cc1ccc(nc1)O,0.2063
O=CC1CN=C2OCC12,0.2143
C1NC11CCCC2NC12,0.2989
C#CCCN(C=N)C=O,0.226
OC12CC3C=CC(C1)C23,0.2524
CN1C(CO)C1C#N,0.2595
CC1CN1C1(C)CC1C,0.2998
CN=CNC(=NC)C#N,0.1826
COC12CC3C1C(C)C23,0.3388
C1C2C3C2C2C1OC32,0.3092
Cn1cc(nc1O)N,0.2299
CCN1CCCC(=O)C1,0.2048
O=C1C=CC2C3CC12N3,0.1734
CC(=O)C1(C)COC1=N,0.2259
C1C2CC3CCC2C13,0.3663
CCCC(=O)N1CC1C,0.2562
CC1OC1C#CC#C,0.2149
C#CC1CC(C1)C#N,0.2891
CC1(O)C2CCC12CO,0.3017
CCC12CC1CC2(C)O,0.3086
CC1(C)OC1(C=O)C#N,0.2139
CC(C)OC(C)CCO,0.3191
CC1OC2C3NC3C12C,0.2937
c1c(c(oc1N)O)N,0.2141
NC(=O)C1N=CN2CC12,0.2258
CCCc1cc(c[nH]1)C,0.2412
N=C1NC(=CO1)C1CC1,0.2183
CC(=O)C(C#C)C#N,0.2216
CC1CC2CC1COC2,0.3203
CCC12NC(C=C1)C2=O,0.2454
O=C1CC2CC2C=CN1,0.2083
COCCCCOC=O,0.2695
CC1=NC2CCC2(C)O1,0.2639
CC12CC1C1C=CCC21,0.2626
C1CC1(C#N)C(=O)C#N,0.208
N#CC1CC2(CN2)C1,0.2865
CC1CC(C1)C1CC1O,0.3303
OC1=C(F)N=CC(=N)O1,0.1442
NC(C(N)=[NH2+])C([O-])=O,0.2317
Cn1cnc(c1O)C=O,0.1984
OC12CCOC1C1OC21,0.2889
CNc1c[nH]cc1O,0.23
CC12OC1(CC2=O)C=O,0.1926
CC(CC#C)C(C)(C)O,0.3083
CC1CC2CC(=O)C2C1,0.2155
CN1CC2CCC(=O)C12,0.1951
CC1(CC(=O)C1)C2CC2,0.2208
CC1CC=CC2OC2C1,0.254
CCC#CC(=O)NCC,0.2337
CC1(CN1)C(=NO)C#C,0.204
CC12C3OC1CC(=O)C23,0.2228
CC1(C)OCC1(C)C#N,0.286
CC1CC1C(=O)C=O,0.1563
CCN1CC1C1CC1C,0.3015
COCC1C(C)C2CN12,0.3042
C1OCC11C2CC1OC2,0.3131
CC12CN1C(=O)NC2=O,0.2355
CN=CN(C=O)C(=N)N,0.2129
CC1C(C=CC1=O)C#N,0.1903
C#CC12CCOCC1O2,0.2757
CC1OCC(N)C(=O)O1,0.259
CC12COC(CC1O)O2,0.3137
CNC(=O)COCC#C,0.2651
CC(C)CCN1CC1,0.3142
Cc1cc(oc1NC)C,0.212
N=COC12CN(C1)C2,0.2721
OC1=CC=CC(=N)N=C1,0.1441
CC#CC(CO)C(C)O,0.292
C(C#CC(=O)N)NC=O,0.2292
N#CC1OC23CN(C2)C13,0.2363
O=C1NC2C3CC(C3)C12,0.2734
OC1C2C3C4C=C1C2N34,0.18
O=C1OC2C3C=CN1C23,0.2155
CC(CO)CC1CCO1,0.3198
CCC1C2C(O)C2C1=O,0.2245
C1CC11CCOC2CC12,0.3177
OCC1=CC2C3C1CN23,0.2279
c1cncc2c1non2,0.1638
O=CC1NCCNC1=O,0.211
OC12CC1(O)CCC2,0.297
CCN(C=O)C(C)C#N,0.2719
CCCC(=O)C(C)OC,0.2292
CC1(CN1C(N)=O)C#N,0.2812
NC(=O)C1C2CC(=O)C12,0.2281
CC1(CO1)C(O)CC=O,0.2237
CC1OCC(C=O)C1O,0.2237
OC(CN1CC1)C1CC1,0.294
CC1CC(C1)C(=O)CO,0.2374
C(=O)Oc1c([nH]nn1)O,0.2278
c1(nnc2n1nno2)N,0.1616
CC(C)N1CC2(C1)CO2,0.293
O=C1C2CC1C2CC#N,0.2517
CCC12OC3CC1C2O3,0.3284
OCC(=O)C1CCOC1,0.2279
CC1OC(C=O)C=C1,0.203
CC1C2OC=NC12C#C,0.2465
CCC1C2OC1C2C=O,0.2037
O=C1CC=CC1C1CN1,0.2169
O=CN1CC2NC2C=C1,0.2041
N#CC12CC3OC3C1N2,0.2771
C#CCOCC1CO1,0.2888
CC1CC(C=C1)C(C)=O,0.214
OC1C=CC2OC12C#C,0.2271
CC1C2CC1C(C)C2C,0.3638
CC1OC(C2CC2)C1C,0.3204
N=C1OC2C3CC12CO3,0.2635
NC1=NOC(=N)C(=N)O1,0.1876
CC1(CCCC1O)C#C,0.3123
CC1C2OC3(CC3)C12,0.3036
CCC12OC(C=C1)C2C,0.2324
O=CC(=O)C12CCC1N2,0.1585
CC1C(O)CCC1=NO,0.2488
N=C1OC2C3C4NC13C24,0.2603
CCC12CN1C(C2)C=O,0.2158
N#CC1OCOC1C#N,0.2882
N=C1OC2OCC3C2C13,0.2789
COC1CC11COCO1,0.3006
COC1(CO)CCCO1,0.3181
CC(=O)CNC(=N)C=O,0.1723
C1OCC2NC12,0.3149
O=CC12C3C4OC1C4N23,0.2182
c1c2c([nH]n1)OCOC2,0.2484
OCC(CC#N)C=O,0.2249
CC1=CC2C3CC2(C1)O3,0.2384
C1C(CN1)(CC#N)C#N,0.2653
CC(C)(CNC(=O)N)O,0.2957
CC(O)C#CC(C)C#C,0.2852
C#CC12CC1C(O2)C#N,0.2374
COC1CCC(O1)=NC,0.2757
OCC12CCN3CC1C23,0.2986
N=C1COC(=O)O1,0.281
C1C2CCC3CCCC123,0.3361
c1cc(cc(c1)F)O,0.223
CC(C)C(C)(C)C(C)O,0.3283
CC1NC11C2C3OC2C13,0.3051
CC1OC2CC12CC=O,0.2074
CC1OCC(CC#N)O1,0.305
C#Cc1c[nH]cc1N,0.2031
OCC1CCC2OC12,0.3342
CN1C2CCC1C2=O,0.2375
CC1OC(=N)C11CCO1,0.2611
CC12C3CC1OC2CC3,0.3131
OC1(C=O)C2NC(=O)C12,0.194
O=CC1CCC1C#C,0.2234
CC1C2N3CC3C12C=O,0.2095
c1c2c(co1)C=CC2,0.2001
CCOC=NCCC=O,0.2234
c1c(onc1OC=O)N,0.2183
COCC(C)(O)CC#N,0.3106
CC(C)Nc1n[nH]nn1,0.2046
CC12CC3C1N3C2,0.314
OC1C2CC2C1C1CC1,0.3132
CC(C)CCOC=NC,0.2728
CCN1C2CC2C1C#N,0.2415
Cc1ccc(=O)[nH]c1C,0.1704
CC1OC2CCC2=C1,0.2362
CNC1(COC1=N)C#C,0.2477
CC1CCC(C1)C=O,0.2293
CC12CC1C1(CC1O)C2,0.3086
COC1C(CC1=O)C=O,0.2015
CCc1ccc(nc1)O,0.2065
CN=C1OC(C)C1(C)C,0.2816
c1nc2n(n1)CC2,0.2752
CC#CC1C2CN=CN12,0.2267
CCOC1(CC1O)C#N,0.2745
CC1CC(=O)NC(C)=N1,0.2366
COC1CC2C1NC2=O,0.2693
CC12C3C(C=O)C1CN23,0.2255
CC1OC2CC2C(C)O1,0.3308
NC(=O)N1CCC1=N,0.2466
C#CC12OC(C=C1)C=C2,0.2018
C(=O)c1c([nH]c(=O)[nH]1)N,0.1634
O=C1CC2NC2C11CC1,0.2265
Cc1cc(=O)ocn1,0.1981
N#CCCC1CCOC1,0.2924
CN1CCNC1=O,0.295
CNc1c(cc([nH]1)N)O,0.2243
CC1CCCC11CO1,0.3293
CCC1(CC1)C(F)(F)F,0.3821
N=C1COC(=O)OCO1,0.2728
OCC1CN1C(=O)C#C,0.2139
CC(CCC=O)C#N,0.2278
N#CCC1C2CC1OC2,0.283
N=C1NC=NC(=N)C=N1,0.1721
CN(C=O)C12CN(C1)C2,0.2701
COCC(C)C(=O)CO,0.2321
CCOCC1CCC=C1,0.264
CC(O)C12CCCC1O2,0.3202
CN(C=N)c1cocn1,0.2051
ON=C1C2C3C=CC1N23,0.2009
CC1=C(C(=O)CNC1)C,0.1682
CCCC(O)(CC)C#N,0.3111
COCC1(O)CC(C)C1,0.3262
N#CC1CC1C1CN1,0.2747
CCNCC(O)C#N,0.28
CC1(O)C2CC1C2C#C,0.2797
CN1CC(C1)NC(=O)N,0.2734
O=C1NC2C3CN(C3)C12,0.258
CC#CC1(CC1)OC=N,0.2635
c1cc(n(c1)C2CC2)N,0.2267
CC#CC1=COC(=N)O1,0.1894
NC(=O)C1CC(C1)C=O,0.2257
CC1C2CCC1OC2,0.3128
CC12CC1C1CN1C2=O,0.2361
c1cnc(c(c1F)O)O,0.2132
CCC1CC(=O)OC=N1,0.2491
OCCC1OC1CO,0.335
C1CC1(CC=O)O,0.2209
C1CC2(OC12)C1COC1,0.3246
CC1N2C3CC2C1(C)C3,0.3068
C1CN1C(=O)CC=O,0.2213
OC1(C=O)C2OCOC12,0.2039
CC1(C)OC2CC12C#C,0.264
ON=C1CC(C1)OC=O,0.2469
CC(CO)C1C(C)N1C,0.2852
C1C2C1C1COC3C2C13,0.2994
c1c(nnc(n1)F)C#N,0.1654
CCC1=CC(OC1)C#N,0.2532
CC1C2CC3N2C13C#N,0.269
C1C2C1C1OC3C2OC13,0.2983
CC12CC3C(C1)C23C#N,0.2742
CC12C3OC4C(C13)C24C,0.312
CC12COC(C#N)C1N2,0.2764
NC(=O)C(C#C)C1CO1,0.2647
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CCC(=O)N1CC(=O)C1,0.2086
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CC1CCN2C(C#N)C12,0.2618
CC1(CC(=O)O1)C1CO1,0.2819
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CCC1(CC([O-])=O)C[NH2+]1,0.2736
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CC1(CO)OC1C1CO1,0.329
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CC12C3C1C1(O)CC2C31,0.3022
CC12CC3C1N3C2CO,0.3132
Cc1cc(cnc1N)F,0.1906
CCCOC1CN2CC12,0.3075
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CC1CC(=O)CC1C#C,0.2215
OC12CC1CCC1OC21,0.327
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CC(=O)OC(C=O)C#N,0.23
Cc1cc([nH]c1O)C=O,0.1712
CC12C3CN(C13)C2C=O,0.2012
CCC[NH2+]CC([O-])=O,0.2692
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CC1N2CC3(O)C2C13O,0.2653
CCn1ccnc1C=O,0.1842
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CC#CCC(C)C(N)=O,0.2671
CN1CCc2c1cno2,0.1898
CC1N2CC=CC12C#C,0.223
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CC1=NC2(C)C(O)C2O1,0.2504
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CC1CC(C)NC(=O)N1,0.2918
CC1(O)C2NC1C1NC21,0.3044
COC(C)C1CC1,0.3334
C1OC(=O)C(=O)C(=O)O1,0.1482
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CC1CC1C(C=O)C#N,0.221
CC(C)C1OCOC1C,0.3261
CC12OC1C1OC21C=O,0.2061
OC1C(OC11CC1)C#C,0.253
C1CCNC(=O)NCC1,0.2701
O=C1CCC2NC2CO1,0.2725
CN1C2C=CC3C2C13C,0.2126
CC1OC2C(C#C)C12,0.2774
Cc1c(nc([nH]1)C#N)O,0.1793
CCc1c(nn[nH]1)CC,0.2437
OCC1CC(=O)C1O,0.2223
OC1C2C3OC4C1C2C34,0.287
Cc1c[nH]c2c1onc2,0.2048
CC1OC(C)C2(C)NC12,0.3061
CC(=O)NCC(=O)C=O,0.1463
N1C2C3OC4C=CC2C134,0.1689
O=CN1C2CCC1C2=O,0.228
OC12CCC1C(=O)CC2,0.2173
OCC1C2CC2(O)C1O,0.2881
CC1(O)C2NC1C2C#N,0.2826
OC1C2C3CC3C1C2O,0.3086
[NH3+]CC#CCC([O-])=O,0.1903
OCC1C(C#N)C1C#N,0.2747
CC1(CO)NC(=O)C=C1,0.2135
C1C2CC1OC=NCC2,0.2548
CC1OCCC2(C)NC12,0.3082
OCC1=CC(=O)ON=N1,0.1698
CC1C2NC2C(=O)C1O,0.1998
COC1CC2CC1C2C,0.3388
OCC12N=COC1C2O,0.2417
CC1OC(=O)OC1CO,0.3139
OC1(CCC1C=O)C=O,0.1978
CC12COC(C1)CCO2,0.3212
OC12C3CC1=CC(=O)C23,0.1552
CC12CN3C(C13)C2=NO,0.2456
N#CC1C2COC1OC2,0.2945
CCCC1C2CC1(C)C2,0.3733
CC#Cc1cnncn1,0.1565
O=C1C2C3CN4C3C1C24,0.2269
CC1(C)OCC1C1CO1,0.3186
CCC1C2NC1(C)C2=O,0.2475
NC(=[NH2+])C1=C([O-])C=NN1,0.1461
c1c(c2cnoc2[nH]1)N,0.1978
Cc1cc[nH]c1N2CC2,0.234
C1C2C3C4C5CC1(C24)N35,0.2968
OC12C3CC1(OC23)C#N,0.2473
CCC#CC1C2CCN12,0.26
CC(CO)C(C)CC=O,0.2286
CC(O)C1CN1C(C)C,0.2952
Cc1c([nH]c(=O)o1)OC,0.2415
C(#N)c1c(nc(o1)N)O,0.1993
COC1CC(O)C(=N)O1,0.2871
OC12CC1CC2OC=N,0.2786
C#CC(=O)OCCCO,0.2332
CC#Cc1c(cco1)N,0.1826
OC1C2OC1C=C2,0.2448
[O-]C(=O)C1OC11C[NH2+]C1,0.2489
CC12CC3=NCC1(C)N23,0.1945
CC1(COC1=O)C(N)=O,0.2503
OCC12OC1C1(O)CC21,0.2877
C1OC11C2CC3OC1C23,0.2957
C(COC(CO)CO)O,0.3242
OC12C=CC3C1N3C2=O,0.2127
c1c(ncnn1)C(=O)N,0.1516
COC(=O)C1COC1C,0.2514
COC1C2CC3OC1C23,0.2953
OC1C2C1C(C#N)C2O,0.289
COCC1OCC11CC1,0.3074
CC(C)(NC=[NH2+])C([O-])=O,0.2442
C1C(=CC(=O)OC=N1)N,0.2018
CC1OC2(C)C(O)C12,0.3052
C#Cc1ccncc1,0.2067
CC1(CO1)C1CCC1O,0.3226
CN1C2COCC(O)C12,0.2916
c1ncn(n1)C=O,0.223
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OCC1(CN1)C(F)(F)F,0.3343
Cc1c(c[nH]n1)CC=O,0.2117
Cc1c[nH]c(n1)CO,0.2438
C1OC23CC(C2)OCC13,0.3235
CC1C2CC(O)(C2)C1C,0.3295
CN=C1OC(=O)C2OC12,0.2336
OCC12CC1C1(CN1)C2,0.3126
C#CCCC#CC#C,0.2295
COCCN1CC1C#N,0.2684
N=C1CC=CCC(=O)N1,0.2251
CN1C2C3N4CCC13C24,0.2741
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CCCn1ncc(n1)C,0.2492
CN1CC2NC3C1C23O,0.264
CC1COCC=CC1O,0.2435
c1cnnc(n1)NC=N,0.1606
CC12COC(C#N)C1O2,0.2916
CC12OC3=NCCC1C23,0.2046
C1CNCC(=O)OC1,0.2417
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CC1(C2(N1)CC(=O)C2)C,0.2144
c1[nH]c2c(n1)CN=CO2,0.2102
OC(C#C)C1NCC1=O,0.2176
CC1(CCCOC1)C#N,0.3035
C#CC1(C=CCO1)C#C,0.2523
CC1=NCC(C)(O1)C=O,0.2157
CCC12CC1CC(=N)O2,0.2719
C1C23CCC12CCC3,0.3041
CC12C=C3CC4C3C1N24,0.1775
CC#CC1C2CN2C1=O,0.2238
CC1CC(C)OC(C)C1,0.3284
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CC#CC1OC=NC1C,0.2665
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OCC1CNC(=N)C1=O,0.181
CN(C=O)C1CC2OC12,0.2717
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COC(=O)COC=N,0.2583
NC1=CNC(=N)N1C=O,0.1764
N=C1C=NOC=NC1=O,0.1783
N#CC12CC3OC3C1O2,0.2809
CC1N2C3CCC1(C)C23,0.2991
OC(CC=O)C#N,0.2293
CCCOC1CCC1,0.3313
c1c(oc(n1)C=O)N,0.1613
ON=C1C2CCC1CC2,0.2608
OC1C2CC1C2(O)C#C,0.2834
CNC1(C)COC1C#N,0.238
CC1NC1C1CN1C,0.29
COC1C(C)C1OC=N,0.2733
C1CC1(CC(=O)N)CO,0.2582
O=C1CCCCC2CN12,0.2496
C1C2C=C3CCOC3C12,0.2374
CC12CC1C(N)C(=O)O2,0.2538
CC1OCC1(N)C#N,0.2824
N=COC(=O)C#N,0.2154
CC(=O)C1C2C3C1CN23,0.2239
CC1CC1OCC1CC1,0.3325
CC1C=CN2C1CC2=O,0.2157
CC12CC1C(CC#N)C2,0.2998
CC#CC12CN3CC1C23,0.2581
CC(CC#N)C1(O)CC1,0.2955
Cc1cc([nH]c1C)OC,0.2343
CC1(CC1O)C1CC1O,0.3133
CCN=CNC(=O)OC,0.2495
N=COC(=O)C1COC1,0.2267
OC12CC(C1)C1CCC21,0.3269
CC1C2CC(=O)C12CO,0.2274
CCC1C2C1C(=O)C2O,0.2231
C#CCC1OC2CC2O1,0.3018
O=C1CC=CC2OC2C1,0.2205
CC1C2N1CCCC2=O,0.2041
N#CC12NC3CC1C23,0.2452
C#CC#Cc1ncno1,0.1793
CN=C(C#N)N(C)C=O,0.2016
c1cc(c(c(c1)F)F)O,0.2297
CN1C2C3CC1(C=O)C23,0.1852
CC1CC11COC(C)=N1,0.25
Cc1ccc(c(c1)N)F,0.2062
[O-]C(=O)C1CCC11C[NH2+]1,0.2783
OC1CC2C3CC3C12,0.2973
Cc1ccnc(c1C)C,0.228
c1ncn(n1)C2COC2,0.2651
Cc1nnn(n1)C(=O)N,0.2299
OC1C=CCCNC1=O,0.2182
CC1CN=COC(C)C1,0.2593
CC1OCC2CCC1O2,0.3115
CC1C2OC3C2N1C3=N,0.2156
COC1CC11CC2OC12,0.3186
C#Cc1c(non1)C#N,0.2043
[NH3+]CCC1=COC([O-])=N1,0.2338
CC12CC1(CC#N)CC2,0.2952
CC1OC=NC1C1CC1,0.269
CC1NC(=O)C=CC1C,0.2058
CC1=CCC(CC1)C#C,0.2603
CC12C3CCC1OCC23,0.3183
CCc1nc(on1)C=O,0.1901
OC12C3C1C1=CC2CC31,0.1825
CC1C(=O)CCC11CN1,0.2189
CNC1=CC(=O)NC1,0.2159
C1CC1CCC2COC2,0.3217
CC#CC(=O)C(=O)C,0.1526
C#CCC(=O)NC(=O)N,0.2397
CNC(=O)C1CC1(C)C,0.2738
c1cc(oc1)CCC=O,0.1974
c1nc(c(o1)CC#N)O,0.2198
CC(C)N=C(C=O)NC,0.1544
OC12COC11CC2OC1,0.2731
c1cnc-2cnonc12,0.1475
N=C1N=NON=CC1=O,0.1356
O=CCC1NC11COC1,0.2193
CC(C)(C)CCCCO,0.3359
CC12CC3C1N3C2(C)C,0.3082
CC(=O)C1OC(=O)C1O,0.2113
CCC1CC(O1)=NC,0.2795
CC1OC2C(O)C2C1C,0.3037
CC1(C2CC1O2)N1CC1,0.3079
c1nc(no1)N(=O)=O,0.2032
ON=C1CC2(O)C(O)C12,0.2431
Cc1ncc(cn1)F,0.2036
CC1(NC2COC12)C#C,0.2663
C1CCCC=CCCC1,0.2608
c1cnc(c(=O)nc1)N,0.1634
C#CC(CO)(CO)CO,0.2823
C#CCC12CC(C1)O2,0.2841
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C#CC(=O)COC1CC1,0.185
COC1CCC1(C)CO,0.3144
C(C(=O)C(=N)NC=O)O,0.1831
CC(C)C1(O)C(O)C1O,0.2732
C1NC11C=CC2CC12,0.2369
CN=COC(=O)CC#N,0.2404
N=CN1CC(=O)CC1=N,0.1977
CC1=CON=CC1=N,0.1819
C1CC1C12C3CC1CN23,0.3227
CC12CC1(O)C1NC21,0.3093
COCC1(C)CC1OC,0.33
c1cnn(c1N)C=O,0.1901
C[NH+]=CN1CC1C([O-])=O,0.2545
CN=C1N=CNC=C1F,0.1879
CCc1ccc(o1)NC,0.2132
C1CC12CC(=O)N2C=O,0.2194
CC(C#C)C#CCC=O,0.2203
CC(=O)NC1C2CCC12,0.2698
CC1C(O)C11CC(=O)O1,0.2785
COc1cc(no1)N,0.2453
CC(=O)C#CCN(C)C,0.1781
c1cn2c(c1O)CCC2,0.2284
CNC1=NCC2(C)OC12,0.2405
CC12OC(N)=NC1C2N,0.2668
CC(=N)OCC1(C)CC1,0.294
N#CC1C2C3OC1OC23,0.2904
CC12CCN1C1CC21O,0.2801
CC(NC=O)C#CC=O,0.1938
C1C2CCC11OCCC21,0.3198
OCC1CC2CC12O,0.2997
CC1CC(=O)C(=N)N1,0.1761
CCCC(=O)C1(C)CO1,0.2231
CN(C=[NH2+])C(=N)C([O-])=O,0.1243
CCC12CC(C)(CC1)O2,0.3235
O=C1CC2C3CC(C3)C12,0.2152
Cc1[nH]c2cn[nH]c2n1,0.2137
CC12CNC1C(O2)C#C,0.2536
CC1NC(=O)C(C)C=C1,0.2491
CC12COC3(CC3)C1N2,0.3223
CCOC=NCC#C,0.2716
CC1OC2CC1C1OC21,0.3292
CCC(=O)OCC1CO1,0.286
O=C1C2CC3CC1N23,0.2149
C(C=O)NC(=O)N,0.2221
NC(C#N)C1CC(O)C1,0.2849
CCNC(=O)COC,0.2806
C#CC12CC(C1)O2,0.2553
CC12CC(OC1)C21CN1,0.2918
CC1C2CC(C)C1C2C,0.3678
CN1C2CC1(C=O)C2=O,0.2068
CC12CC1C1(CO1)CO2,0.311
CC1OCCCC(=O)O1,0.2721
CCC(C)OC1COC1,0.3127
CC1CC(=O)OC1C=O,0.2203
CC1COC1C1CC1O,0.318
CC1C2CC=CC12CO,0.2455
CCCC#CCOC=N,0.2788
Cn1ccc(c1CO)N,0.2109
CC(O)C1(COC1)C=O,0.219
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C1C=Cc2n1nc(n2)N,0.1666
OC12CC3C1N3C2=N,0.273
CC1=CC=CCC(=O)N1,0.1896
CC1C2CC1C(=O)C2,0.2277
CC1C2C1C1CC2O1,0.339
CC#CCCC(C)CO,0.3034
CNC1C(C)OC1=NC,0.2556
CC1C2CC1C2(C)C=O,0.2227
C1C2C3C=C4COC13C24,0.1923
CC12OC1C1=CCOC21,0.2252
CC1OC2(C)CC12O,0.2973
CCCC(C)(C)C(C)O,0.3278
CC1OC23COC2C1C3,0.2823
CC(=NO)C1CC1O,0.2292
C1C(=O)OCC(=O)N1,0.2574
Cc1c(ccn1C)OC,0.2235
CC#CCc1ncon1,0.2269
Cc1c(cncn1)N,0.1969
CCC1COC(C1)C#C,0.2922
CC1CN1C(N)=O,0.2879
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NC(=O)NC(=N)C1CN1,0.2267
CCN1C2CNC(=O)C12,0.2515
CC(O)(CC#N)C#N,0.311
C(C#N)C(=O)C(=N)N,0.1764
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CC1OC1(C)CC#C,0.3039
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CC12CN1C(=O)C=C2,0.1978
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CC1CC2=C(C1)N=CO2,0.2311
CC1C(C)C(=O)OC1=N,0.2624
CCOCCN1CC1,0.324
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CC(C)OCC(C)C#N,0.3053
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CC1C2CC2(C#C)C1C,0.2711
N=C1NCC2OC12C=O,0.1951
Cc1coc(c1C)C=O,0.1855
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CC12CC(=NO)C1(C)O2,0.2476
CC1C=C(C)C2(C)OC12,0.2438
CC1CC2C(O)C2(O)C1,0.3058
CC(C=O)C1C(C)N1C,0.1982
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C1C=CC2C3C4C3N2C14,0.2365
CN1C2C3C4=CCC13C24,0.1494
COC1C2OCC12CO,0.2872
CCC1OC(C)C1C#C,0.2886
COC12CCC1N(C)C2,0.278
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COc1cnn2c1CC2,0.2345
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CC1CC(=O)C1CCO,0.2196
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OCC(NC=[NH2+])C([O-])=O,0.1521
CC1CC(C)C(C1)=NO,0.2515
CC1C(C)C1(C)C(C)=O,0.2312
OC12CCC1C1OC1C2,0.3295
[O-]C(=O)C12CN1C=[NH+]C2,0.101
CC1C2C3OC3C(=N)N12,0.2224
CC1N=C(CO)NC1=N,0.2325
CC1OC2C(CC=O)C12,0.215
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C1CC1(C=O)OCCO,0.2222
CCC(=O)C1NC1C#N,0.2202
CC1CN1CCC#C,0.2859
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Cc1ccc(cc1)CO,0.2319
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CC1COC(=N)CC1=O,0.2241
COC(C)(CN)C#N,0.2712
OCC12C3C(CN13)C2O,0.2943
CCC12CC(=O)C1C2C,0.23
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CCC1(O)C2OC(=O)C12,0.2641
OC1CC2C3N2CC3=C1,0.2131
CC1C2CC3CC2C1O3,0.3191
CC12CCC1C21CCC1,0.3224
C1CC1C1(CN1)C1CO1,0.3127
CCC(C=O)(C=O)C#N,0.1977
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CCC1CCC1(C)CC,0.3528
C#CC#CCC1CCO1,0.227
CC1NC(=O)N(C)C1=N,0.251
C1CCCC2OC2CC1,0.3293
OCCC1(CC1)C1OC1,0.3384
CN1CCn2c1ncn2,0.2385
CCC([NH3+])CC([O-])=O,0.2771
CC12CC(O)C1CCC2,0.3128
[NH3+]C1(CC2NC12)C([O-])=O,0.2668
CC(=O)C(O)C(O)C#C,0.2251
CC1COC(=O)C1C,0.2771
CCC1OC(CC)C1=O,0.2204
COC(C)C1=NC=CO1,0.2408
C1OC23C4C5C2C(C13)N45,0.2808
CC(C)C12CC1(O)CC2,0.3185
CC12CC(O)(CO)C1O2,0.3044
CC(=N)OCCC1CO1,0.2986
CCCc1[nH]ncn1,0.2696
CC1CC(=N)NC1=O,0.2499
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CC12NC1CCC=C2,0.2509
COC(C)C1CC1C,0.3255
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CC1CCC(=CC1)C#N,0.2251
CN1CC2(CC12)C#N,0.248
C1C2CCC=CC1O2,0.2481
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OC12CC=CC1N1CC21,0.2337
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CC12NC1(C=O)C1OC21,0.218
[NH3+]CC1CC1(O)C([O-])=O,0.126
CC1C2C3CC(C2O)N13,0.2964
CN=C1C(C#N)C2CN12,0.2441
OC1C(CCC1=O)C#N,0.2238
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CC1CC1C1=NCCO1,0.259
CC12CCC1(C)OCC2,0.3171
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CC1(CC(=O)C=C1)C=O,0.1936
CC12CC(O)C(C1)C=C2,0.2529
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CC1CC(N)=C(C1)C=O,0.1824
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CCC(=O)NCC(C)C,0.2779
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CC12NC1CC=C2,0.2462
CC1(CN1)C(=O)C1CN1,0.2203
CC1NC(=O)C2NC12C,0.253
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CC(C)(C)C12CC(C1)O2,0.3089
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CCc1ccoc(=O)n1,0.191
C1OC2C=CCCC12,0.253
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CN=C(N)C(O)C#N,0.2436
CC1CN1CCOC=O,0.2514
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CC1CC(O1)C#CC=O,0.2021
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CCC1(C)C2OCC12O,0.2826
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CCC1COC11COC1,0.3149
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C1C2C3C4CC2C1N34,0.3375
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CC12CC3C(CCO1)C23,0.3247
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CC1(C)C2N1CC2(C)C,0.2977
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CCC(C)CCCC#N,0.3474
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CCC(O)C12CC(C1)O2,0.3204
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CC1C2N1CC21COC1,0.2984
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CCC1(C)CC(C)C=C1,0.2624
CCc1ccc(cc1)N,0.2024
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CC12CC34OCC(C13)C24,0.3181
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CC#CC1C2CC(=O)N12,0.2282
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CC12C3CC1(CO)CC23,0.3006
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CC(=O)C1(COC1)CO,0.2295
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COc1cc2n(n1)CC2,0.2385
CC12C=CC3CC1C23,0.2373
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[NH3+]CCC1=NOC([O-])=C1,0.0623
CC(O)C1(C)CCCO1,0.3218
c1c2c(c[nH]1)oc(n2)N,0.2151
CC1COC2C3OC2C13,0.3017
CC12CC1(C)CCC2,0.3312
OC12CC(OC1=N)C=C2,0.2391
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CCc1c([nH]c(=O)[nH]1)C,0.2278
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CCC(C)(CO)C(C)C,0.3331
CC1=CNC(F)=NC1=N,0.2015
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CC(OC1CCC1)C=O,0.2249
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[NH3+]C12CN(C1)C2C([O-])=O,0.264
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C1OC2C3OC4C3OC124,0.2747
CC1(CN=CO1)C1CN1,0.2624
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Cc1[nH]c2c(n1)cc[nH]2,0.2177
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CNc1cccnc1,0.1912
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CCC1C(C)(O)C1(C)O,0.2854
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CC1CC2(O)C3CC2N13,0.297
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CC1NC1(C)C1(C)CO1,0.3185
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Cn1ccn2c1ncc2,0.216
CC1(C)CC2CC2C=C1,0.2521
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COC(C)=NC(C)C#C,0.2683
N#CC1NC23CN(C2)C13,0.2347
CC12CC1COC(=O)C2,0.276
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CC1CC(C)(C)NC1=O,0.2716
COCC1CCC(O)C1,0.315
CCC(C#N)C1CC1O,0.3148
COC(=N)C(=O)CCO,0.2016
CC1(O)CC(=O)OC1=N,0.2583
OC12C3CC1CCOC23,0.296
CC1OC2C3OC1(C)C23,0.2886
OCC(CO)C1CCO1,0.3049
CCC1OCC(CO)=C1,0.2497
C1CC(C1)(C=O)C2CC2,0.2251
CC1(O)C2NC2C1C#N,0.2789
CCC1OCC=CCO1,0.2634
OC1C2C3CC2C3C1O,0.3116
O=C1COC2CCCC12,0.217
CC1(O)C=CCOC1=N,0.2585
[NH3+]CC1(CCC1)C([O-])=O,0.2747
c1c(c(no1)O)C(=N)N,0.2096
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Cc1nc2c(o1)CNC2,0.2211
CC1C2C3C(=O)N1C23C,0.2441
CN1CC2(C)OCC12C,0.2773
OC1C(=O)C=CC11CN1,0.1895
CC1OC2CC(O)C1C2,0.3011
Cn1ccnc1C2CC2,0.2357
CC(C)C(=N)OC=O,0.2603
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CC1OCC11C2CCN12,0.3086
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CC1CC1C(=O)NC=O,0.2174
C1C2C3CC22OCOC132,0.3241
CC1CC=C(C)C1CO,0.2571
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OC12CC1(O)CC2,0.2944
NC(C#N)C1=CCCC1,0.2439
COC12C3NC1C=CC23,0.2284
Cc1coc(n1)C2CC2,0.232
Cc1c2c(nco2)no1,0.2017
CC#CC12CC(C1)O2,0.2566
CC1CC(CO)CC=C1,0.2646
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Cc1c(c(c[nH]1)C=O)N,0.1661
CC(=O)c1cn[nH]n1,0.2037
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CC(C)CC1CC1O,0.3314
CC(=O)n1cc[nH]c1=O,0.1938
CC1=C(C=NO1)C1CN1,0.2393
CC(C)C1CCC1C#C,0.3027
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CN(C=O)C1CCCC1,0.2623
C(CO)C(=O)C#N,0.1989
CC1NC1(C#N)C1CC1,0.2897
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CC1=CC2COC(C1)O2,0.2522
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CCC1=CC(=O)CC1O,0.1916
CC(O)C(=O)COC=O,0.2301
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CN(CC([O-])=O)C(N)=[NH2+],0.2555
CCCC(CC)CO,0.3392
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CC(CO)C1=NNC=C1,0.2661
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C(C1CN1)C1=NOC=N1,0.2191
CC1CC1C12CC(C1)C2,0.3459
O=C1CC2N=COC12,0.2017
CC1(O)C2NC(=O)C12C,0.2451
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CC(C=O)C(O)CC#N,0.2214
OCC1C2NC2C2CN12,0.2965
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CC(CC(C)(C)C)C=O,0.2274
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CCCC(C)C#CC,0.3034
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CCC(=O)CC(C)C#C,0.2305
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CC12CC(O)C1C1NC21,0.2928
NC(=[NH2+])C([O-])=O,0.1973
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CCC(O)CC#CC=O,0.2052
OC12CC(C1)OCOC2,0.3206
CCC(CO)C(=O)OC,0.2772
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OCC1(O)CC(O)C1=O,0.1954
CC(=O)C(=N)N,0.1968
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CC1CN1C1CC2CC12,0.2988
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CC1(CC(=O)C1)OC=N,0.2216
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CC1=CCc2c1c[nH]n2,0.2075
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CC12CCC1OCOC2,0.3234
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CC12NC1C1CC21CO,0.2679
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CN1CC2(C1)OC2C#C,0.2337
CC1(C#C)C2OC(=O)C12,0.2458
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CC1COC2CC1(C)C2,0.3112
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CC12CCC1(O)C1NC21,0.3131
CCCC(C)(O)C(C)C,0.3228
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[O-]C(=O)C12C[NH2+]CC1O2,0.2356
CC1C2CC2N1CC=O,0.1951
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CCC1NC1(CC)C#C,0.2744
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CC12C=CC3N=CN1C23,0.2246
Cc1cccc(c1C)C,0.2348
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C1CC23OC4C2OC34C1,0.2826
COCC1CC1OC=O,0.2575
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CC1CCCCOC1=N,0.2848
CC1(O)CN=C(N)C1=O,0.1785
CN(C)C1C(O)CC1=O,0.2064
CC1C2CCC12OC=O,0.2671
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C1OC2C1C1C3OC1C23,0.3015
CCCC1CC1COC,0.3363
CCC1COCC(=O)N1,0.2632
CC1COC(C)(CO)O1,0.3242
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CC1(C)C2CC3CN2C13,0.3098
CC12NC(C)(C=C1)C2O,0.2274
CC12CC(C1)C(=N)OC2,0.287
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CC1CCC2(C)OC12,0.3405
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CC1CC2CN2C(=O)O1,0.2888
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CC1CC2OCC12CO,0.3061
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CCC1CC1O,0.3338
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CC12OC1C(C#N)C2O,0.2893
CCOC12CC1(C)CC2,0.333
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CC12CC1CC(CO)O2,0.3131
CC1C2C1C1(C)CC21C,0.2891
CCC(C)CCCC=O,0.2289
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CC1(CO)CCC=C1,0.2539
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CC#CCN1CC1CO,0.2672
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CC1(C=CCCC=C1)C,0.2593
CC1(CO)CCCCO1,0.3263
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CC(C)C1C2C3OC3C12,0.284
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CCCc1cnco1,0.242
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[O-]C(=O)CC1CN1C=[NH2+],0.2202
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Cc1ncc(o1)N2CC2,0.229
CC12CN3C1CC23CO,0.3146
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CC1C2OC2C1C1CC1,0.3358
CCCN(CCO)C=O,0.258
CNc1ncc(nn1)N,0.1483
CC(C)(C#N)NC,0.2745
Cc1c(nn(c1O)C)O,0.2515
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OC1C2NC1C(O)C2O,0.2838
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CCC(=O)C(=N)N1CC1,0.1903
CC12CC1([NH2+]C2)C([O-])=O,0.2571
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C(C#CC#CC=O)C#N,0.1827
OC1CC(C1)C#C,0.3022
C1OC11C2C3COC1C23,0.3191
CCC1C2C3C(C2C)N13,0.3197
CC(C#N)C1(C)CC1,0.3231
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NC(=O)CC1CCO1,0.2699
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CCC1CC11CC(=O)N1,0.274
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CC1C(C)C2N=COC12,0.2593
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CC1(CC=O)OC1CO,0.2231
CC1C2OC3CC3(C)C12,0.3057
CC1=CCCC1(C)O,0.2622
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CC(O)(CCO)C1CO1,0.3384
CCOC1=NCCCC1,0.2723
CNc1c[nH]c(=NC)o1,0.22
CC1C(NC11CC1)C#N,0.2509
OCC1(CCOC1)C=O,0.2238
CC1C(O)CN2CC12C,0.2845
OC1CN2N=C(O)N=C12,0.237
OCC1(O)CCC11CN1,0.2895
CCC(C)C(CC)C=O,0.2262
CN1C(=N)N2CC2C1=O,0.2359
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Cn1nc2c(n1)NCC2,0.2035
CN1CC1COCC#C,0.2564
CN1C2C3C=CC1(C)C23,0.2166
C1CN1C1C2CCCC12,0.3123
CC12OCCC1NC2=O,0.258
CNCc1nnon1,0.172
CC12COCC=CC1O2,0.2353
CC#Cc1c[nH]c(=O)[nH]1,0.1859
CC1OC(C)C1(O)CO,0.2932
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CC1=NC(=N)ON=N1,0.1582
CC1(O)CC=CCC=C1,0.2589
CN1CC2OC(C)(C)C12,0.2918
CC1CC2(C)CC12C#N,0.2802
NC(=O)C1(CC#N)CN1,0.2667
CCc1conc1NC,0.2294
CC1OC(CC#C)C1C,0.2971
CN=C1N=NOC=C1N,0.143
CC1C(O)C2CCC12C,0.3079
CCC(=O)C(=O)C1CN1,0.1573
OC12CC3(COC13)CC2,0.3024
CC(C)(C)NC(=O)C#C,0.232
C#Cc1coc(c1N)N,0.1917
CCCCN(C)C(=O)N,0.2902
C(CO)N=C(C=O)N,0.1825
OC1(C#N)C2C3C1CN23,0.2636
COC12CC(C1)(C2)OC,0.3342
NC1(COC1=O)C1CC1,0.2559
CC(CO)C#CCCO,0.3041
CC(C)(CO)OCC=O,0.2296
CNC(CC#CC)C#N,0.2622
c1c[nH]c(c1CC#N)O,0.2172
CC(O)C1C(C)CC1O,0.3062
C#CC12CC(C1)(O2)C#C,0.2438
CC#CCc1ncno1,0.235
CC1C2OCC12CC#C,0.2789
CC1CC2(CCC2=O)O1,0.1959
CC1=NCC(C)(O1)C#N,0.2697
CCC1(CC1C#N)OC,0.2931
CCOc1ccon1,0.2494
CCC1=C2CC3C(C1)C23,0.1733
C1CC11C2OC1C21CC1,0.3102
C1CC(=NO)CC1=NO,0.2401
CC(=O)N(C=O)C(=O)N,0.2253
CC1(CCC1O)NC=O,0.2748
CCC1COC(=O)CN1,0.2404
c1cn[nH]c1C#CCO,0.2061
OC1C23COC12COC3,0.2813
CC1CC(C)(C)OC=N1,0.2748
Cc1ncn(n1)CCO,0.262
CC(O)C1CC1(C)C#C,0.2925
CC1(C)C2C3OC1OC23,0.3255
N=COC1CCCO1,0.2882
CC1C2C(O)C(C)CN12,0.2712
CC1CC(COC=O)C1,0.2863
c1c(c(on1)CO)C=O,0.2004
C1COCC2(N1)COC2,0.2849
COC(=O)C(C=O)C#C,0.2147
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CC1(O)C2C3C1CC23O,0.317
CC1(CN1)C1OCCO1,0.312
CC(O)(CO)C#N,0.298
C#CC#CCC1CO1,0.2298
OCC1C(C=O)C1C#C,0.2197
NC1=NC(CCO1)C=O,0.2082
CN(C)C1(CC1)C#N,0.268
CC12NC1CC1OC21C,0.3047
C1CC1C1C2C3CN3C12,0.2818
CC12CC3C(N13)C2=NO,0.2421
C#CC(CC#N)C1CO1,0.2944
NC(C#N)C1=CNC=C1,0.247
COC1C(CC1=O)C#C,0.199
CC1C2C3CN3C12C,0.2846
CC1(C)COC1C1CC1,0.3148
OC(C=O)C(=O)NC=O,0.1965
Cn1c(=O)ccc(n1)N,0.1539
CCC1COCC(=N)O1,0.2724
O=C1CC23CC2(CC3)N1,0.2579
CCOC1C(C)C1(C)O,0.3105
[NH3+]CC1(CO1)C([O-])=O,0.257
OCC1CC(=O)N1C=N,0.2292
CC(COC(N)=O)C#C,0.316
CC1=CC(O)CC(=O)N1,0.2106
N=C1NC=COC1=O,0.1709
[O-]C(=O)CC(=[NH2+])NC=N,0.1958
OCC1COCCC1=O,0.2187
OC1=CNC(=N)C(=N)O1,0.1594
CC(O)(C#C)C(O)CO,0.2934
O=C1C2CCC2C11CC1,0.2154
CC12CC(C1)CC=CC2,0.2717
CCC1(C)CC1CO,0.3346
CC1(C)OCCC1O,0.3094
COC(CO)C(O)C#C,0.2846
OC(C#C)C#CC=O,0.2034
CC1(COC(=O)C1=O)C,0.1696
OCC1NC2C1NC2=O,0.2502
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CCN=C1OC(C)C1C,0.2765
COC12CC1C1(CN1)C2,0.3186
COc1conc1N,0.2301
N#CC12CC(CCC1)O2,0.2699
CC1(O)C2CCC=CC12,0.2396
Cc1cnn(c1)CC#N,0.2469
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CCC1CC2(C)COC12,0.3104
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CC1CC2COCCC12,0.3203
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CCc1nc(c(o1)N)C,0.234
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CC(C)(C)N1CCC1=O,0.2732
[NH3+]CCC(CO)C([O-])=O,0.2713
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CCc1cn2c(n1)CC2,0.2533
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CC12CN3C1CC=CC23,0.2265
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CC(C)(C(=O)CO)OC,0.2358
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CC(=O)C(=O)NC(=N)N,0.1593
CCC12CN1C1CC21,0.292
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CC12CC(CO1)C2CO,0.3072
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CC1C2C3C4C1C4(C)N23,0.3003
[NH3+]CC1=C([O-])OC=C1,0.226
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CN(C=O)C(=N)C1CO1,0.228
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CCC1CC(OC)C1=O,0.1989
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CC1(O)CC2COCC12,0.322
CC1C2COCC(=O)C12,0.2085
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[NH2+]=C1C=N[N-]C=C1C=O,0.1527
CCCC1OC1(C)C,0.3455
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CC1OC11CCC=CC1,0.2681
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