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
COc1cocnc1=O,0.2017
OCC1CCC2OC2C1,0.3316
OC1CC(O)C2CCC12,0.3172
c1cnc-2[nH]cncc12,0.1555
c1coc(=O)n1CCO,0.2378
CC1=NON=NC1=N,0.176
c1cnc(cn1)N=CN,0.1757
CC(O)CC1=CC=CN1,0.2386
Cc1cn[nH]c1OC,0.2523
O=CNCC1C2CC1O2,0.2563
CC1CNC1(C=O)C#N,0.2072
CC12CN3C1C(C=O)C23,0.2044
CC1CN(C)CC(=O)O1,0.2468
CCC(=O)C(O)C#CC,0.2193
CC1(CC(O)C1)N1CC1,0.2998
COC1C2CC3C2OC13,0.3049
O=C1N2C3CC4C(C23)N14,0.2363
COC12CN3C1C(C)C23,0.3207
O=C1CN2CCC2C=C1,0.1557
N=COC1(CCC1)C#C,0.2776
C1C2N1C13CC21OCC3,0.2573
CC1=CNCC=CC1=O,0.1622
CN1C2CC1C2(O)C#C,0.2356
C1C2C3OC1C1OC1C23,0.3163
COCC1OCC(=N)O1,0.2926
CC(C)COCCOC,0.3356
O=C1CC2NC1C2C#N,0.2092
OC1CC2CN3C2C13,0.2904
NC1=NN2C3CC3C2=N1,0.202
c1c(nc([nH]1)N)OC=O,0.2126
CC12C3C(CCN13)C2=O,0.2201
C(C#N)N,0.2855
CC(=O)c1ccnn1C,0.2039
CNc1ncc(o1)OC,0.2268
OCC1C2CN1C2,0.3099
OC12CC1(O)C=CCC2,0.2401
OC12CC1C1(NC21)C=O,0.1876
N=CN1CC2CN2C1=O,0.2355
CC1=CCCNC1=O,0.2135
CN1C2C3NC2(CO)C13,0.2676
CC12CC1CC2CCO,0.3246
C(C#N)C(=O)C#CC#N,0.189
CC(OCC#C)C#N,0.2735
CC1(CNC(=O)N1)C#N,0.2788
C#CC12C=CC3C1CN23,0.2054
C1C(CO1)C(C=O)C=O,0.2004
CCCC(C)CO,0.3411
CC(O)C12CC1OC2,0.301
CC(=O)C1CC(C1)C=O,0.2219
C1CC11CC2OC3C2C13,0.305
OC1CC2C3CC1C23O,0.3094
C#Cc1cocc1C=O,0.1869
CCN=C1NC2COC12,0.2411
CCCC1C(C)CC1O,0.3155
CCN1CC1CCCO,0.2989
CCc1cnc(nn1)F,0.1659
c1cc(=O)c(=O)onc1,0.1584
OCCC(CO)C1CC1,0.3334
COC1C2CC3CC2C13,0.3339
CCNc1[nH]c(=O)on1,0.2599
CCN1C2CC1(C)C2O,0.27
COC1(C)OCCC1O,0.3352
CCCNC(=O)CC#N,0.2781
COc1conc1C=O,0.1805
CC1(CO)C2CC1C2=O,0.252
CC1CC(=O)O1,0.2861
CC12CN3C(C13)C(=O)C2,0.2142
O=C1OCC11COC=N1,0.2497
CC(=NC)NC(=O)C,0.232
CC1OCC1C(C)(C)O,0.3211
CCc1cnoc1N,0.2244
c1c([nH]c(=O)c(=O)o1)N,0.1675
N=C1NC2CC2NC1=O,0.197
CCc1[nH]cc(n1)C#N,0.2276
CC(CC#CC#N)C#C,0.2338
C(COC=NCC=O)O,0.2215
COC1C2NC1C2O,0.3043
CC1C=CC2C3OC1C23,0.2376
OC(C#N)C1=CN=NN1,0.244
OC1C=CCC2CCC12,0.2588
Cc1cnc(o1)CO,0.2377
N#CC12CC3C4C(C13)N24,0.2614
c1coc(c1C#N)C#N,0.189
C1CC(=O)C=CC=C1,0.1693
C1C2CN1C1=NON=C21,0.2388
COC(C)C1OCC1C,0.3118
O=CCC1C2C=CC1C2,0.216
Cc1cc2n(n1)C=CC2,0.1989
C#CCC(=NO)C1CC1,0.2429
O=C1CCC(CO1)C#C,0.2704
CC12C3C1C1C3N2C1=O,0.2271
CC12C=CCC1C2O,0.2327
CN1CC1C1=CC=NO1,0.2128
CC(O)C1(C)CN2CC12,0.2919
C#CCC(=O)NCC=O,0.2202
CCC(C)OC(=O)C#C,0.2374
CCc1c(oc(n1)O)C,0.2386
CC(O)CC1CCC1,0.3278
OC12CC(O)(C1)C1OC21,0.3202
C#CC(=O)OC1CCC1,0.2368
C#CCNC1(CC1)C=O,0.2102
C(C(CO)(C=O)C=O)O,0.2048
CC(O)C1C(O)C1O,0.2829
C1C2C3OCC=C3CN12,0.2397
COCC1CCC11CO1,0.3316
NC1=NC2CC(O1)C=C2,0.2193
Cn1c(cnn1)C#N,0.2234
CC1(COC(=N)N1)C#C,0.2614
CCc1cc(c(o1)N)C,0.2283
C#CC12C3CC1CN2C3,0.2351
CC12C3CC1C3C2C=O,0.2181
CCC(=N)N(C)C(=O)C,0.241
COC(=O)N1CC1C#N,0.2797
OCCCC(C#C)C#N,0.2872
N=C1NCCOC1=O,0.1981
CC1C=C(C)C2C(O)C12,0.2324
OCC(O)C1=CN=CO1,0.2375
CC1CC1C1=COC=C1,0.2391
CCC(OC(C)C)C#C,0.298
CC12CC1OC1COC21,0.3023
Cc1coc(=O)c(=O)[nH]1,0.1764
CNc1nc(on1)C#N,0.1724
N#CC1=C2CCC2CC1,0.2073
CC(O)CC1=CN=CO1,0.2416
CC1(CO)CC(C1)=NO,0.249
CC1=NNC(=N)C(O)=N1,0.1677
OC1CC2(OC12)C1CC1,0.3207
NC(=O)OC(=N)CCO,0.2616
CC1C(C)C1(N)C#N,0.2975
CN1C2C3C4OC2C1C34,0.3127
OCC#CC1OCC1=O,0.2119
CCC1NC(=O)C(C)=C1,0.2217
OC1C2C3C1C(O)C23O,0.3099
NC1C2NC=NC12C#N,0.2291
CC(=O)N1CC(O)C1=O,0.2166
CC1C(NC1=O)C=O,0.2144
CN1C(COC1=N)C#N,0.2504
c1c(=O)c(c([nH]n1)N)N,0.1696
CCc1ccoc1C#N,0.2049
FC1=NOC(=N)NC1=N,0.1884
CCn1c(cc(n1)O)C,0.2375
OCC1(NC1C#N)C#N,0.2624
NC(=[NH2+])OCCC([O-])=O,0.285
N=C1C=NNN=N1,0.1763
CC1CCC=CC1O,0.2625
C1C2CC11CCCOC21,0.3337
c1cnn(c1)C(=O)C#N,0.1897
C1OC11CN2CCC12,0.2826
c1c(ocn1)C(F)(F)F,0.2455
OC1CC2NC12,0.3133
OC1C2CC3(CC3)OC12,0.304
CCC1=CC2OC2CC1,0.2355
COC1CCOC1=N,0.2691
CC#CC12OCC1C2C,0.2433
OCC12NC1CC2C#N,0.2836
CC(O)CN1C=CC=C1,0.2433
Cc1c(c([nH]n1)OC)N,0.2501
C1C2C1C1OC2C2OC12,0.3321
Cc1coccc1=NC,0.1883
CC(O)C1(CN1C)C#N,0.272
CN=C1OC=NC(O)=C1,0.1704
OC12CC3C(NC13)C2=O,0.2037
OC1(CNC1=O)C=O,0.2016
COC(CN)(CO)C#N,0.2595
CC1(C)CC2C3OC2C13,0.2939
C#CC1=CC2(CN2)CC1,0.1929
CC(CO)C#N,0.3246
CC1CC1(C#N)N1CC1,0.2798
C1C2=CC3C=C1C1C2N31,0.0835
CC1(OC(=O)C=C1)C#C,0.2216
CC1C2CC2(O)C=C1C,0.2366
OC1=COC(=N)C(O)=N1,0.148
OC1C2C3NC1C23C#N,0.2519
CN(C)Cc1conn1,0.1919
CCC1(NCC1=O)C#N,0.2136
O=C1CC(CC2CC2)O1,0.2856
C1CC12CCOCC2,0.3255
OCC(=O)C1CN2CC12,0.2094
Cc1cc(oc1N)NC,0.216
CNC(=O)OCC1CN1,0.2937
C1CC1CC(=O)N,0.2738
CC1(O)C2C3C2C(=O)C13,0.2414
CC(C=O)C1CNC1=O,0.223
OC1CN2C3CC1C23,0.2974
C#CC1NC1C1COC1,0.2756
CC1C2C3COC2C13O,0.2995
CCC12NC1CC2(C)O,0.2956
C1C2OC34CC3(CC4)C12,0.2927
CC1(O)CCC1(O)C#C,0.2764
NC(=O)C12CC3C(C1)N23,0.2681
CCC1(CCCN1)C#N,0.2823
C1C(=CC(=O)CO1)C#N,0.1566
c1cn(c(c1N)N)C=O,0.172
CCC1=CC(C)OC1=O,0.2287
CNc1c(c[nH]n1)C#C,0.2001
C1C2OC2C2OC12,0.3201
CC1(O)CC2(CN2)C1,0.3087
OCC(=O)C1OC1C=O,0.1967
OC1CCCCC11CC1,0.3252
N=C1NC(=O)C2CNC12,0.2315
C#CC1OCC11CCC1,0.2703
Cn1ncc(n1)OC,0.2287
CCC1(C#C)C(C)C1C,0.2889
O=C(CC1CN1)C1CN1,0.216
CC(=O)CC(O)C1CN1,0.2057
O=C1C2NC2CC1C#C,0.2054
CCC1(C)OC1C(C)=O,0.2204
CC(C)(C1(CCC1)O)O,0.3156
CC1(CC2CN2C1)C#N,0.2797
COC(=O)N1CC1,0.2898
OCC1CC2NC(=O)C12,0.2695
COC12CC(C)(C1)C2O,0.3327
CN1C2CC(C=C2)C1=O,0.2186
COC1(C)CCC1O,0.3217
CC1C2NC2C11CO1,0.3043
N=C1ON=C2C3CC3N12,0.2133
NC(C#C)C1(CC1)C#N,0.2769
CC(=O)C(=NC1CC1)N,0.1753
N=C1CCCC(O1)C#N,0.278
OC12CC1(OC2=N)C#C,0.2269
C#CC(=O)C#CCCO,0.1887
CC1NC11C2CCC1O2,0.3136
N#CC12CN(C1)CCO2,0.2526
COC12C3C1C1OC3C21,0.3131
CC1CN1CC(N)=O,0.2719
CNc1c(cco1)OC,0.2103
O=CC1(OCC=C1)C#C,0.2058
CC(C)C1COC=NC1,0.272
Cn1ncc(=NO)cn1,0.1581
NC(C#C)C1=NC=NN1,0.2569
OCC1OCOC1C#N,0.2724
CC(=O)C1CC1(O)C=O,0.2021
c1cc-2cconc2c1,0.1311
OC1=COC(=N)C=C1,0.1547
C#CCC1(CC1)CC=O,0.2234
CCC(CC)CC1CC1,0.3595
CNc1cnc([nH]1)C#N,0.1839
Cc1[nH]c(c(n1)O)C=O,0.1737
N=COC1OCCC1=O,0.2157
OC1CC1N1C=NC=N1,0.2663
CCC1C2OCC12O,0.2874
CC1CC1CC1(C)CO1,0.3428
C1CC23CC(C=C2)C13,0.2288
NC(C#C)C#CC#N,0.2225
CC1C2NC(C2O)C1=O,0.2084
CNc1ccc(n1C)N,0.2283
C1CN=COCCOC1,0.2542
N#CC12CC1NC=N2,0.2476
O=C1NC2C3C4CC13C24,0.2485
[NH2+]=CNC1=COC(=O)[N-]1,0.0984
OC12COC11CN(C1)C2,0.3116
COC1CC=CC1(C)C,0.2636
CCC1C(C)N1CC#N,0.2682
CC1C(O)C(O)CC1=O,0.2132
CC12COC1CC(=N)O2,0.2847
O1C=NC2C3C=CC2C13,0.2265
C#CC12CN=C3OC1C23,0.1608
FC1=CC(=N)N=CN1,0.1929
CC12NC3C1(O)CC23O,0.2856
CC1(O)C2CC1C2CO,0.3216
OCC1(CC#N)CO1,0.3012
C#CC1C2CC3CN1C23,0.2372
OCC1CC2OCC12O,0.3021
CC1CC1(CC#N)C=O,0.2258
NC(=O)C1CN1,0.2697
CCN1CC2OCCC12,0.3004
OC1C=CC2(NC12)C#N,0.2297
OC1CC(O)C2(O)CC12,0.3167
C#CC1=NC2C3CN1C23,0.1875
C1C(=NO)C=CC(=O)O1,0.1762
OCC1CCC11CC1,0.3365
C1CC12CN=C(O2)C=O,0.1738
CCC1CC(O)C1=O,0.2202
CCC(C#C)(C#C)C#N,0.291
OCC1C2OC(=O)C12O,0.2448
COC1(CC1)C#N,0.2923
CCCOCC,0.3409
Cc1coc(c1O)NC,0.2142
Cc1c(cncn1)O,0.2103
CNc1c(cn[nH]1)O,0.2265
CC1C2COC(C)C1O2,0.3073
OC1CC(CC1O)C#N,0.3069
c1c(onn1)NC=O,0.2064
CCCC1C2OC2C1=O,0.2116
N=C1OC(=O)C(=O)C=C1,0.1521
CC1NC1CC(=O)C#N,0.1777
CC1=CC2(CC2O)OC1,0.2286
CN1CC(C1)(C#C)O,0.2459
CC1C2OCC2C1(C)O,0.3104
CC(C)(OC=N)CC=O,0.2237
C#CC12CC1(CC2)C#N,0.2426
CC1=CCC(=O)N2CC12,0.2364
CC12CC=CC1(CO)N2,0.2356
c1(c([nH]c(n1)O)O)N,0.2267
CC1=Cn2ccnc2C1,0.1986
C1NC11CC2CC2C=C1,0.229
CCN1CC(=O)C1C#C,0.2084
CC1=NC2(C)CC2CO1,0.2511
COC(=O)C(N)C#N,0.2587
CCOC12CC(C)(C1)C2,0.3369
CC1(C)NC(=O)NC1=N,0.2596
O=CC(CC#N)C#C,0.2183
CC1C23CCC12CCC3,0.3024
c1cn2c(coc2n1)N,0.2261
CCC1(CO1)C#N,0.3021
CC1N2C3C2C1(C)C3O,0.2951
N=COC1C2COC12,0.2734
C1C2OC11CCN3C2C13,0.2274
CN1CC(=N)OCC1=O,0.2589
CCCC1COC1C#N,0.2782
OC12CN3C1CC23C#N,0.2681
c1c[nH]c2c1[nH]cn2,0.2088
N#CC1CC2OC=NC12,0.2625
CNC1COC1=N,0.2554
OC12CCC(CC1)OC2,0.305
CN(C)c1nc(co1)N,0.2187
COCc1ncnnn1,0.1604
CC1OC11CN(C)C1,0.2975
CCCC1C2C3CC1C23,0.3284
CC1CN=COC(=O)C1,0.2376
O=CC1OC2(CC12)C#N,0.2154
CC1CCC=C(C1)C#N,0.2249
CC12CC(N)(C#N)C1O2,0.2905
Cc1nc(n(n1)C)CO,0.2476
COC1CCCC1C#N,0.2956
C1CC1n2nc(nn2)O,0.2255
CC1CC1(C)NC(C)=O,0.2708
N#CC12CNC3CN1C23,0.265
O=C1NC=C(O1)C1CO1,0.2229
CC(C)(CO)C(=O)C#N,0.2009
CCN=C1OC2C(C)C12,0.2681
C1C2OCC3C4CC23C14,0.2443
C1CN2C3C4OC3C24C1,0.2838
NC=[NH+]C1=COC(=N)[N-]1,0.0812
COC1=NC=CNC1=N,0.1686
NC1=NC2CC(=O)C2O1,0.1956
CC(C)C1CC2CC1C2,0.3744
CC1=C(CC2CC12)C#C,0.1983
CCN=c1cnocn1,0.1942
CC1C(O)C2(C)CC12C,0.3068
OC12CC1NC2=O,0.2435
CC(C)CNC(=O)C=O,0.175
CC#Cc1c(nno1)C,0.1918
CN1C(C#C)C11CCC1,0.2552
COC(C)C1(C)CCC1,0.3289
N#CC12CC3C(C1)C23,0.2893
CC1N2C3CC2C1(O)C3,0.2935
Cc1cc(cnc1O)O,0.1894
O=C1C=CCCC11CO1,0.1852
O=C1CC2N1CCC2=O,0.2042
CN=C1OC2(C)CC12N,0.2605
CC#Cc1c(nco1)O,0.186
CC1(C)C2CC1(O)C2O,0.316
CC12NC1C(=O)C2CO,0.212
CC(O)CC1(CO1)C#N,0.2876
CC12CN3CC1(CO)C23,0.2857
C1OC11C2CC1OCO2,0.3184
CC1=CC(N)=NC(=[NH2+])[N-]1,0.2084
CC(=O)C(CO)OC=N,0.223
CC12NC1C1CC21O,0.2772
c1cn[nH]c1CN2CC2,0.2582
CCC1CC2OC=NC12,0.2613
N=C1NC=C(C#N)C1=O,0.1484
OC12C3CC11CCC2N31,0.3164
N=C1CC(C=O)N1C=O,0.2077
CC(=O)C(=O)C(=O)C#N,0.1319
CC1(C=CCC1O)C#C,0.2526
CCC1(CC(O)C1)OC,0.3188
OCC1CC2=CC=CN12,0.2503
CC12CCC(=O)C1(C)O2,0.2115
C1CC2C3COCC2C13,0.331
CCCOC1CC1OC,0.3178
CC(C)C12C3CC1CC23,0.3166
CC#CCC1CC2CC12,0.3004
N=C1CNCCC(=O)O1,0.2205
CC1(O)CN2CC2C=C1,0.2258
CC(=N)Nc1cnno1,0.2042
CC12C3CC11CCN2C31,0.2989
CC1OCC2CC2(C)O1,0.3283
N#CC1=CC2CN2C1,0.1915
CCNC(=O)OC,0.3125
OCCCC1CN=CO1,0.2718
NC1CCOC1C#N,0.2669
OCC1CC2OC2C=C1,0.2469
CC1OCC1(CO)CO,0.2944
OCC1C(O)C2CCC12,0.2978
COC1(CC1C)C#N,0.2911
OC1C(O)C1(O)CC#C,0.2901
CNC(=O)CC(=O)CO,0.209
O=CNCC1CN=CO1,0.2667
CC1CC2(O)CC2C1=O,0.2213
CN1C2COC2C1=O,0.2496
C#CC1CCNC1C#N,0.2665
COC1CCC1C(C)=O,0.2319
CC1CN2C3CC1(C)C23,0.3095
C(C(CO)(C#N)C#N)O,0.2969
CN1C(C=O)C1C#N,0.1961
CC12CC(COC1=N)N2,0.261
CCCC1OC(=N)C1O,0.2828
O=CNC1CNC(=O)C1,0.2673
CC(CO)C(=N)NC=O,0.2295
CCC1NC1CC=O,0.2208
C1NC1C12CCCC1N2,0.3079
ON=C1C2NC1C1OC21,0.2542
CCC(=O)CC1CN1C,0.2086
CCCCC1CC1CO,0.3358
C(C#CC1CO1)C1CC1,0.2753
CC1CC23CN1C2CO3,0.2589
CCC1C(CC=O)N1C,0.1985
CC#CC1(C)CCCO1,0.2942
O=C1CC23CCC2OC13,0.1943
CCC(C)C(C=O)C#C,0.219
CC1CC1(O)CC(C)=O,0.2158
Cn1ccc(n1)N(C)C,0.2151
CC1=C(C)C2(O)CC2C1,0.2419
c1c(cn[nH]1)CC#N,0.2626
O=CCC12CC1N1CC21,0.2021
COC(=O)c1ncco1,0.2071
C#Cc1c[nH]nc1N,0.2081
CC12CCC(O)(C1)C=C2,0.2577
C1OC11CCC2NC12,0.3112
Cc1nc(on1)OC,0.2606
CC1CCCCC1,0.374
CCOC=NC1CC1,0.2512
CCOC(CO)CC#C,0.3034
CC(C)C1CC(C1)(C)C,0.3561
CC1(CCO)CCO1,0.318
N=CN1CC2NC2C1=O,0.2175
OCC12CCN3C1CC23,0.2948
c1c(noc1OC=O)O,0.2264
CCC12OC1C(C)C2C,0.322
CC(O)C(O)C1(O)CC1,0.3035
CC#CC#CC1OC1C,0.2117
CCC12CN1CC2O,0.2919
CC1=CC2CC(CC1)O2,0.2379
CCC(O)(CC=O)C=O,0.2147
C1CC1CNCC#N,0.2677
CC1(C)C2NC(=N)C12O,0.2437
CCC1C2C3C=CC2C13,0.2259
CCC(=O)N(C)CC,0.2687
O=COCC1CC2NC12,0.256
CCOC(C)(C)C=O,0.226
O=COC12CCC1CC2,0.2734
C1NC1C12OC1CC=C2,0.2458
CC12OC1C=CC21CC1,0.2359
CCC(C#CC)C(N)=O,0.2694
CC1N(C)C1(C)C(N)=O,0.2559
O=CC12COC1CCO2,0.2156
CC1(CC1)c2[nH]ccn2,0.2435
CC1=CC(=N)NN=C1O,0.1535
C#CC12NC1CC1OC21,0.2583
C1CC(C1)C2CCC2,0.3589
CC(CC#N)C#N,0.3346
N1C2C1C1NC3C2NC13,0.2793
CCC1CC=CC1OC,0.2586
O=CCN1CC2CC12,0.199
COC1OC(C)(C)C=C1,0.2622
CN=C1CCC=CCO1,0.2394
OC12C3CC1N3C21CC1,0.3094
CN=C1CCC2(O1)CC2,0.2671
CC(OCC1CO1)C#C,0.2948
COc1cc[nH]c1N,0.2312
OCC1(CO1)C(=O)C#C,0.1956
CN1CC2(C1)CO2,0.2969
N#CC1COCC2CC12,0.301
Cc1cn(cc1N)C,0.2264
CC1=C(COC1=N)C#C,0.1848
CC1CCC2OC12C#N,0.2891
O=C1CC23COC12CO3,0.1982
NC1=[NH+]C(CC1)C([O-])=O,0.2489
OC1C2CNC2C1C#N,0.2748
CC(C#C)C(C=O)C=O,0.1993
OCC1CC=CCC=C1,0.2531
COC1COC2C(O)C12,0.2904
CC12CC1OC(O2)C#N,0.2837
CC1C2OC3C2OC13C,0.3072
C1C2(N1CC=O)COC2,0.2203
CCOCc1cnno1,0.2326
CC1COC1(CO)C=O,0.2095
CC(C)(C#C)C1CO1,0.3098
C(=O)C(=O)C(=O)NC=O,0.121
CC1CCC2(O)CC12O,0.2929
C1C2C=CC1C1OC21,0.2374
c1c(nn[nH]1)OCCO,0.2255
CC1=CCCC=CC1=O,0.1807
CCC(C)(O)CC(C)O,0.2999
NC1=C(O)C(=N)N=NN1,0.1536
O=C1C2CC3CC1C2O3,0.2162
CC1OCCC(C)=C1,0.26
CC1C2CC(C)C(=O)C12,0.2215
CC1(O)C2NC1C21CO1,0.3073
CCC(OC(C)=N)C#C,0.2882
CC(O)C1(C)CCO1,0.3028
CC1CC(=O)C11CC1O,0.2167
N=CN1CC1(C#N)C#N,0.244
CCOC1COC11CC1,0.3006
CC(C)C1OC2CC1C2,0.3239
CC(O)C1=NN(C)N=N1,0.243
CC1(O)CCOC1C=O,0.2158
C1CCC(C1)C(=O)C=O,0.1559
C1CC2NC2COCO1,0.3047
CC(C)C1COC1C#N,0.2784
c1c2n(cn1)C(=O)NC2,0.2211
NC12CC1(O)COC2=O,0.2466
OCC12CCC=C1CO2,0.2361
C1N2CC11CC3NC3C21,0.286
COC1CC2OC(=N)C12,0.2811
CC12C3N1C1=NC2C3=C1,0.1257
CC(C#N)C1CC(=O)O1,0.2872
O=C1COCC2(CO2)C1,0.218
OC1=C2CCN2C(=O)N1,0.223
CC12OCC1OCC2O,0.294
c1c(cn(c1O)C=O)N,0.1689
CC12CC(CC1)C2=O,0.2285
C1C2NCCN=COC12,0.2561
CC12OCOC1(C)C2O,0.2955
CC(O)C1(C)OC1C=O,0.2174
CC1(O)C2CC3(CC3)C12,0.3146
C1C2C3CC4OC4C2C13,0.3419
CC(C#N)C1CCOC1,0.2948
CC12CC(CC1C=O)O2,0.2197
OC1C2C3NC3CC12O,0.2798
c1nc2c(o1)nno2,0.1919
C#CCC#CCCC=O,0.2213
OC1C2C(C#N)C2C1=O,0.2093
N=C1OC2CC1COC2,0.2855
OC1(CC2CC12)C1CO1,0.3211
CC1C(=O)NCC1=NO,0.238
OC1=NC(=N)C=CC=N1,0.1502
C1CN1CC#CC=O,0.1928
OC1CCC2OC(=N)C12,0.2867
CCC(C)(CC)C(=O)N,0.2727
NC(C#N)C1(CC1)C#N,0.2802
O=C1CC2OCC2=C1,0.1907
CC1OCC(O1)C1CO1,0.3384
CNC1(C[NH2+]C1)C([O-])=O,0.2484
CN1CC1C1=CN=CO1,0.229
CCCC(CC)NC=O,0.2825
COCC(=O)NCCO,0.2642
CC12CC(C)(C1)CCC2,0.3472
CC1OC2C1C2C(C)=O,0.2187
CC1C2CC(C)CC12O,0.3206
CC(CO)C1CCC1C,0.3377
CC1C=CC2C(O)CN12,0.2338
Cn1c(c(c(n1)N)N)O,0.2477
OC1CC1(O)C1COC1,0.2993
CNC12C(C)C1OC2=N,0.2482
CCC1(CC1)OC(C)=N,0.2866
CNc1ccc([nH]1)OC,0.2311
c1c(non1)C2COC2,0.2211
CCC1(CN1)C#N,0.2955
OC1C2C3OC(=O)C2C13,0.2704
O=C1C2CC3C4C3C1C24,0.2129
C1CC11C2CC3CC1N23,0.2867
CCOC1CCOC1,0.3267
CC1C(O)C2(CN12)C=O,0.213
C#CCC(C=O)C=O,0.2061
CC12CC3(O)C1NC23,0.2945
CC1(OC(=O)C1N)C#N,0.2489
OC12CN3C4C(C14)C23,0.2841
OCC1OC2CN3C2C13,0.3088
C1C2CC3=CC1N1C2C31,0.1708
CC1=CC2CC1C1OC21,0.2367
CCC1(CC)OC2CC12,0.3139
C#CC1OC2CNC12,0.2506
CC12CN3C4C(O1)C4C23,0.2734
CNc1c([nH]cn1)C#N,0.1846
CCc1cccnc1N,0.2004
CC1C(CC1(C)O)C#N,0.3065
CC(CC1CO1)OC=N,0.2804
c1c(c2cn[nH]c2[nH]1)O,0.2121
CC12C3CC(N13)C2=O,0.2337