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1622
1623
1624
1625
1626
1627
1628
1629
1630
1631
1632
1633
1634
1635
1636
1637
1638
1639
1640
1641
1642
1643
1644
1645
1646
1647
1648
1649
1650
1651
1652
1653
1654
1655
1656
1657
1658
1659
1660
1661
1662
1663
1664
1665
1666
1667
1668
1669
1670
1671
1672
1673
1674
1675
1676
1677
1678
1679
1680
1681
1682
1683
1684
1685
1686
1687
1688
1689
1690
1691
1692
1693
1694
1695
1696
1697
1698
1699
1700
1701
1702
1703
1704
1705
1706
1707
1708
1709
1710
1711
1712
1713
1714
1715
1716
1717
1718
1719
1720
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
1741
1742
1743
1744
1745
1746
1747
1748
1749
1750
1751
1752
1753
1754
1755
1756
1757
1758
1759
1760
1761
1762
1763
1764
1765
1766
1767
1768
1769
1770
1771
1772
1773
1774
1775
1776
1777
1778
1779
1780
1781
1782
1783
1784
1785
1786
1787
1788
1789
1790
1791
1792
1793
1794
1795
1796
1797
1798
1799
1800
1801
1802
1803
1804
1805
1806
1807
1808
1809
1810
1811
1812
1813
1814
1815
1816
1817
1818
1819
1820
1821
1822
1823
1824
1825
1826
1827
1828
1829
1830
1831
1832
1833
1834
1835
1836
1837
1838
1839
1840
1841
1842
1843
1844
1845
1846
1847
1848
1849
1850
1851
1852
1853
1854
1855
1856
1857
1858
1859
1860
1861
1862
1863
1864
1865
1866
1867
1868
1869
1870
1871
1872
1873
1874
1875
1876
1877
1878
1879
1880
1881
1882
1883
1884
1885
1886
1887
1888
1889
1890
1891
1892
1893
1894
1895
1896
1897
1898
1899
1900
1901
1902
1903
1904
1905
1906
1907
1908
1909
1910
1911
1912
1913
1914
1915
1916
1917
1918
1919
1920
1921
1922
1923
1924
1925
1926
1927
1928
1929
1930
1931
1932
1933
1934
1935
1936
1937
1938
1939
1940
1941
1942
1943
1944
1945
1946
1947
1948
1949
1950
1951
1952
1953
1954
1955
1956
1957
1958
1959
1960
1961
1962
1963
1964
1965
1966
1967
1968
1969
1970
1971
1972
1973
1974
1975
1976
1977
1978
1979
1980
1981
1982
1983
1984
1985
1986
1987
1988
1989
1990
1991
1992
1993
1994
1995
1996
1997
1998
1999
2000
2001
2002
2003
2004
2005
2006
2007
2008
2009
2010
2011
2012
2013
2014
2015
2016
2017
2018
2019
2020
2021
2022
2023
2024
2025
2026
2027
2028
2029
2030
2031
2032
2033
2034
2035
2036
2037
2038
2039
2040
2041
2042
2043
2044
2045
2046
2047
2048
2049
2050
2051
2052
2053
2054
2055
2056
2057
2058
2059
2060
2061
2062
2063
2064
2065
2066
2067
2068
2069
2070
2071
2072
2073
2074
2075
2076
2077
2078
2079
2080
2081
2082
2083
2084
2085
2086
2087
2088
2089
2090
2091
2092
2093
2094
2095
2096
2097
2098
2099
2100
2101
2102
2103
2104
2105
2106
2107
2108
2109
2110
2111
2112
2113
2114
2115
2116
2117
2118
2119
2120
2121
2122
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
2141
2142
2143
2144
2145
2146
2147
2148
2149
2150
2151
2152
2153
2154
2155
2156
2157
2158
2159
2160
2161
2162
2163
2164
2165
2166
2167
2168
2169
2170
2171
2172
2173
2174
2175
2176
2177
2178
2179
2180
2181
2182
2183
2184
2185
2186
2187
2188
2189
2190
2191
2192
2193
2194
2195
2196
2197
2198
2199
2200
2201
2202
2203
2204
2205
2206
2207
2208
2209
2210
2211
2212
2213
2214
2215
2216
2217
2218
2219
2220
2221
2222
2223
2224
2225
2226
2227
2228
2229
2230
2231
2232
2233
2234
2235
2236
2237
2238
2239
2240
2241
2242
2243
2244
2245
2246
2247
2248
2249
2250
2251
2252
2253
2254
2255
2256
2257
2258
2259
2260
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
2276
2277
2278
2279
2280
2281
2282
2283
2284
2285
2286
2287
2288
2289
2290
2291
2292
2293
2294
2295
2296
2297
2298
2299
2300
2301
2302
2303
2304
2305
2306
2307
2308
2309
2310
2311
2312
2313
2314
2315
2316
2317
2318
2319
2320
2321
2322
2323
2324
2325
2326
2327
2328
2329
2330
2331
2332
2333
2334
2335
2336
2337
2338
2339
2340
2341
2342
2343
2344
2345
2346
2347
2348
2349
2350
2351
2352
2353
2354
2355
2356
2357
2358
2359
2360
2361
2362
2363
2364
2365
2366
2367
2368
2369
2370
2371
2372
2373
2374
2375
2376
2377
2378
2379
2380
2381
2382
2383
2384
2385
2386
2387
2388
2389
2390
2391
2392
2393
2394
2395
2396
2397
2398
2399
2400
2401
2402
2403
2404
2405
2406
2407
2408
2409
2410
2411
2412
2413
2414
2415
2416
2417
2418
2419
2420
2421
2422
2423
2424
2425
2426
2427
2428
2429
2430
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
2451
2452
2453
2454
2455
2456
2457
2458
2459
2460
2461
2462
2463
2464
2465
2466
2467
2468
2469
2470
2471
2472
2473
2474
2475
2476
2477
2478
2479
2480
2481
2482
2483
2484
2485
2486
2487
2488
2489
2490
2491
2492
2493
2494
2495
2496
2497
2498
2499
2500
2501
2502
2503
2504
2505
2506
2507
2508
2509
2510
2511
2512
2513
2514
2515
2516
2517
2518
2519
2520
2521
2522
2523
2524
2525
2526
2527
2528
2529
2530
2531
2532
2533
2534
2535
2536
2537
2538
2539
2540
2541
2542
2543
2544
2545
2546
2547
2548
2549
2550
2551
2552
2553
2554
2555
2556
2557
2558
2559
2560
2561
2562
2563
2564
2565
2566
2567
2568
2569
2570
2571
2572
2573
2574
2575
2576
2577
2578
2579
2580
2581
2582
2583
2584
2585
2586
2587
2588
,level_0,index,frequency
0,0,7,0
1,1,0,0
2,2,P,0
3,3,[,0
4,4,G,0
5,5,a,0
6,6,5,0
7,7,A,0
8,8,4,0
9,9,u,0
10,10,V,0
11,11,:,0
12,12,l,0
13,13,.,0
14,14,r,0
15,15,\,0
16,16,R,0
17,17,#,0
18,18,H,0
19,19,N,0
20,20,@,0
21,21,Z,0
22,22,S,0
23,23,b,0
24,24,d,0
25,25,],0
26,26,c,0
27,27,o,0
28,28,+,0
29,29,1,0
30,30,n,0
31,31,X,0
32,32,(,0
33,33,6,0
34,34,B,0
35,35,-,0
36,36,%,0
37,37,),0
38,38,2,0
39,39,p,0
40,40,T,0
41,41,W,0
42,42,=,0
43,43,C,0
44,44,s,0
45,45,I,0
46,46,i,0
47,47,L,0
48,48,K,0
49,49,F,0
50,50,9,0
51,51,8,0
52,52,3,0
53,53,/,0
54,54,O,0
55,55,e,0
56,56,g,0
57,57,M,0
58,58,t,0
59,59,cc,10073898
60,60,CC,5169755
61,61,O),4100218
62,62,(=,3446289
63,63,(=O),3146255
64,64,ccc,2546300
65,65,(C,2451909
66,66,C(=O),2105699
67,67,[C,1976339
68,68,[C@,1970269
69,69,H],1931599
70,70,c1,47598
71,71,)c,1385253
72,72,(C),1096944
73,73,c2,18881
74,74,ccccc,973612
75,75,[C@@,962492
76,76,[C@H],889422
77,77,c3,14918
78,78,[C@@H],849974
79,79,ccc(,829278
80,80,(CC,726531
81,81,NC(=O),689944
82,82,cc(,575416
83,83,C(=O)N,9123
84,84,c(,551321
85,85,=C,6152
86,86,)C,3658
87,87,CCCC,516139
88,88,)cc,502890
89,89,OC,39440
90,90,c4,9344
91,91,CN,427734
92,92,CO,417754
93,93,F),386073
94,94,CCN,358711
95,95,c1ccc(,336200
96,96,(O),321231
97,97,(F),316310
98,98,)c3,11699
99,99,2),302502
100,100,(=O)N,291069
101,101,cn,289545
102,102,)c2,12969
103,103,CCC,278208
104,104,(Cl,271210
105,105,\C,2639
106,106,1),258343
107,107,(C)C,26354
108,108,S(=O),252489
109,109,3),240189
110,110,N),225670
111,111,)c4,7553
112,112,[n,218674
113,113,c1cc,208444
114,114,c3ccccc,203143
115,115,OC(=O),200281
116,116,nc(,199925
117,117,NC,186348
118,118,[nH],186289
119,119,OCC,3143
120,120,c5,3340
121,121,S(=O)(=O),172751
122,122,2C,5331
123,123,cc1,7262
124,124,=O),166860
125,125,ccc(cc,164961
126,126,c2ccccc,164808
127,127,c1ccc,159724
128,128,+],156091
129,129,)c(,155434
130,130,CCN(CC,151998
131,131,nn,151888
132,132,[C@H](,147196
133,133,[C@H](C,146487
134,134,(F)(F),145991
135,135,1C,144287
136,136,2)c3,144010
137,137,ccccc4,44549
138,138,)C(=O)N,9102
139,139,[C@@H](,136148
140,140,Cl,6198
141,141,cccc,135332
142,142,\C=C,131624
143,143,c1ccccc,127661
144,144,[C@@H](C,124595
145,145,NC(=O)C,2054
146,146,CC(C),120489
147,147,[C@],118355
148,148,[N,118018
149,149,)C(=O),117203
150,150,(=C,115589
151,151,(Cl)cc,114373
152,152,3C,113972
153,153,[O,113490
154,154,[O-,112893
155,155,[C@@],112518
156,156,[C@H](CC,111498
157,157,=C(,110231
158,158,2CC,110120
159,159,3)c4,109073
160,160,cccc(,106565
161,161,F)cc,103981
162,162,c1cc(,103420
163,163,1CC,102151
164,164,[C@@H](CC,101201
165,165,c2ccc,100308
166,166,[N+],99418
167,167,CCCCC,97694
168,168,n1,38386
169,169,3CC,95296
170,170,)c5,2590
171,171,n2,28395
172,172,C(=O)C,92347
173,173,c1ccc(cc1,92326
174,174,c(C,92055
175,175,c4ccccc4,19706
176,176,Br,6033
177,177,)cc1,33303
178,178,c2ccc(,89679
179,179,[C@H](O),86603
180,180,=O,85944
181,181,c3ccc,85518
182,182,OC(=O)C,4537
183,183,)N,84610
184,184,CC(=O)N,1746
185,185,cc1),83914
186,186,[C@@H](O),83338
187,187,nc2,4109
188,188,\C=C\,82059
189,189,=N,80503
190,190,[O-],33664
191,191,ncc,79101
192,192,CC1,5493
193,193,[N+](=O),77909
194,194,c3ccc(,76622
195,195,S(=O)(=O)N,2144
196,196,CC(=O),75636
197,197,[C@H]1,75514
198,198,c3ccccc3,25820
199,199,N(C,73677
200,200,c1ccc(cc1),73479
201,201,c1ccccc1,4934
202,202,[C@@H]1,73040
203,203,c1cccc(,72968
204,204,)C(F)(F),72925
205,205,c1ccc2,71900
206,206,NC(=O)[C@H](CC,70160
207,207,N2,70073
208,208,)c1,8721
209,209,4),69447
210,210,ncn,67171
211,211,4CC,66672
212,212,nc3,4782
213,213,c(C),61949
214,214,c6,61639
215,215,C(=O)NC,60845
216,216,(C)CC,60733
217,217,ccccc5,21237
218,218,Cc1,59561
219,219,)C2,59192
220,220,1)c2,59178
221,221,N=C,58781
222,222,SC,58610
223,223,CN1,58601
224,224,c2ccccc2,15584
225,225,O)cc,57160
226,226,ccccc3,55895
227,227,[C@H](C),55868
228,228,c[nH],55788
229,229,(=N,55690
230,230,CCCCCCCC,55530
231,231,n3,15895
232,232,4C,54417
233,233,[C@H]2,54382
234,234,CN(C,54264
235,235,ccc1,54046
236,236,(=N),53949
237,237,(C)C),53319
238,238,OC),53049
239,239,c2ccc(cc,52923
240,240,CCO,52553
241,241,[C@@H](C),51599
242,242,NC(=O)[C@H](C,51206
243,243,cc(C,51006
244,244,%1,50874
245,245,1=O),50487
246,246,cc2,50470
247,247,c1ccc(C,50469
248,248,=C(C,49720
249,249,NC(=O)N,49568
250,250,C(=O)O),48614
251,251,(Cl),48527
252,252,ccc3,48514
253,253,(Cl)c,48318
254,254,Cl.,48119
255,255,c2cc(,47615
256,256,(C)(C),47214
257,257,\C(=C,46863
258,258,2)C,46639
259,259,[C@@H]2,46295
260,260,CCN(C,46182
261,261,N(CC,46069
262,262,nc1,3565
263,263,CNC,45538
264,264,c4ccc,44714
265,265,c2ccccc2),44351
266,266,ccc2,43633
267,267,C(=O)O,17568
268,268,3)C,43578
269,269,[C@H]3,42890
270,270,2=O),42213
271,271,COc1ccc(,41999
272,272,N1,1938
273,273,CCC(CC,41124
274,274,c4ccc(,41006
275,275,COC(=O),40887
276,276,(=O)O),40623
277,277,CN(CC,40555
278,278,c3ccc(cc,40429
279,279,P(=O),40296
280,280,c3ccccc3),40162
281,281,cc3,39820
282,282,=CC,39704
283,283,N3,39594
284,284,)CC,39397
285,285,c(O),39218
286,286,NS(=O)(=O),39178
287,287,COc1cc(,38745
288,288,c5ccccc5,8778
289,289,COc1cc,37747
290,290,c1cccc(c1,37704
291,291,Nc2,37594
292,292,)c(OC,37470
293,293,5CC,37462
294,294,4)c5,37367
295,295,c1ccccc1),36695
296,296,c2ccc3,36429
297,297,1=O,36428
298,298,cs,35708
299,299,c1ccc(cc1)c2,35632
300,300,oc(,35483
301,301,(=S,35081
302,302,[C@@H]3,34820
303,303,C(=O)N[C@@H](CC,34687
304,304,c3cc(,34516
305,305,nc4,3583
306,306,#N,27477
307,307,c1n,33717
308,308,(O)C,33590
309,309,c2c1,15825
310,310,NCC,33298
311,311,c3cc,33120
312,312,NC(=O)[C@@H](,32908
313,313,)C(F)(F)F,6144
314,314,[N+](=O)[O-],26840
315,315,/C,32421
316,316,n4,10357
317,317,[n+],32116
318,318,CN(C),31941
319,319,ccccc2,1525
320,320,(C)(C)C,15633
321,321,[C@]1,30832
322,322,2)C(=O)N,30482
323,323,CC(C)(C),30372
324,324,nc,29821
325,325,ccc4,29682
326,326,O=C(,29357
327,327,2)C(=O),29210
328,328,c2cccc(,29192
329,329,OCO,29111
330,330,Cc1cc,29098
331,331,(=N)N),28524
332,332,F)c,28424
333,333,5),28294
334,334,ccc(Cl)cc,27838
335,335,O[C@@H],27764
336,336,N=C(,27277
337,337,4)C,27030
338,338,c1nc(,27021
339,339,C(=O)N[C@@H](C,26704
340,340,c2n,26683
341,341,)C(=O)N[C@@H](CC,26629
342,342,O[C@H](C,26520
343,343,c(N,26459
344,344,CC(C)C,26417
345,345,occc,26401
346,346,3=O),26387
347,347,#N),26367
348,348,2)c3ccccc,26358
349,349,(C)cc,26234
350,350,\C(=N,26106
351,351,C(F)(F),25971
352,352,)c6,25826
353,353,c2cccc,25685
354,354,\N=C,25675
355,355,CN2,25636
356,356,CCOC(=O),25344
357,357,c3ccccc2,25042
358,358,c3cccc,25033
359,359,c2cc,25015
360,360,CNC(=N)N),24972
361,361,O[C@H],24934
362,362,O=C,24881
363,363,)c(C,24623
364,364,c3cccc(,24515
365,365,P(=O)(O),24428
366,366,ccc(F)cc,24336
367,367,(N,24063
368,368,c3c2,8335
369,369,Br)cc,23877
370,370,c1cn,23834
371,371,)\,23331
372,372,COc1ccc(cc1,22848
373,373,O)C,22751
374,374,[C@@]2,22727
375,375,[C@H](NC(=O),22531
376,376,c7,22427
377,377,5C,22426
378,378,[C@@H]1CC,22092
379,379,c3ccc4,21928
380,380,-],21874
381,381,c2cn,21868
382,382,OC)cc,21858
383,383,2CCN(CC,21836
384,384,=N\,21682
385,385,1=C,21606
386,386,nc(N,21581
387,387,F)c(,21378
388,388,S(=O)(=O)C,3797
389,389,c3ccc(Cl)cc,21012
390,390,CCCCCC,20860
391,391,(=O)NC,20826
392,392,c4cc,20791
393,393,F)C,20785
394,394,Cn1,20578
395,395,N(C),20513
396,396,N4,20423
397,397,3)C(=O),20419
398,398,[C@@]3,20410
399,399,ccccc6,6823
400,400,(CCC,20283
401,401,1)C(=O),20143
402,402,[C@@]1,20139
403,403,[C@]2,20095
404,404,[C@]3,20023
405,405,c2c(,19962
406,406,\N=C\,19935
407,407,C(=O)N(C,19800
408,408,(=S)N,19755
409,409,CCN1,19752
410,410,c3n,19512
411,411,COc1ccc2,19454
412,412,=CC(=O),19438
413,413,c3c(,19252
414,414,N2CCN(CC,19214
415,415,(O,19210
416,416,Cc1ccc(,19119
417,417,c2ccc(Cl)cc,18981
418,418,)C(=O)O,2599
419,419,3)c4ccccc4,14836
420,420,OC)c(OC,18859
421,421,NC(=O)CC,18728
422,422,OC1,18663
423,423,c2ccc(cc2),18492
424,424,#C,1974
425,425,3CCOCC,18398
426,426,OC)c1,18374
427,427,[C@H]4,18337
428,428,COc1ccc(cc1),18271
429,429,c4ccc(cc,18227
430,430,nc(C,18215
431,431,[O-][N+](=O),18213
432,432,\C(=C\,17980
433,433,)cc2,14658
434,434,1)C,17768
435,435,[C@@H]4,17581
436,436,c4ccccc3,17554
437,437,c1c(,17498
438,438,OC(=O)C(F)(F),17340
439,439,ccccc1,17338
440,440,)NC(=O),17247
441,441,N)C,17027
442,442,3CCCCC,16980
443,443,N2C,16972
444,444,OC(C,16962
445,445,c1C,5575
446,446,(=O)C,16891
447,447,c4cc(,16858
448,448,SCC,16847
449,449,3)C(=O)N,1537
450,450,FC(F)(F),16771
451,451,c3cn,16695
452,452,2CCC,16694
453,453,\C=N\,16659
454,454,c2ccccc1,16617
455,455,COc1ccccc1,16612
456,456,2=O,16599
457,457,Cc1cc(,16492
458,458,c3ccc(F)cc,16355
459,459,[C@@H](O,16330
460,460,\C(=C/,16318
461,461,)C(F)(F)F),16284
462,462,[C@@H]1C,16225
463,463,2=C,16181
464,464,F)c3,4002
465,465,CCCN,16069
466,466,-].,15904
467,467,COc1ccc(C,15831
468,468,c3ccccc3C,15784
469,469,c12,15672
470,470,5)C,15640
471,471,c2cccc(c2,15569
472,472,Br),15559
473,473,(C)C)C(=O)N,2275
474,474,OC(=O)C),15380
475,475,(C(=O)N,15355
476,476,n(C,15271
477,477,c(CC,15245
478,478,4CCOCC,15242
479,479,=C(N),15224
480,480,\C=C/,15222
481,481,c4cccc,15130
482,482,[C@H]1C,15109
483,483,)C(=O)C,1787
484,484,CC(,15050
485,485,3CCC,15010
486,486,OCCO,14956
487,487,1)C(=O)N,14850
488,488,+].,14797
489,489,SCC(=O)N,14725
490,490,3CCN(CC,14714
491,491,c1),14692
492,492,cc(Cl),14641
493,493,n2),14618
494,494,C(=O)N1,14569
495,495,[C@@H]2C,14541
496,496,[C@H](O)C,14532
497,497,N2CC,14520
498,498,3CCCC,14466
499,499,OCC(=O)N,14462
500,500,c1cc2,14441
501,501,%10,14353
502,502,c2ccccc2C,14338
503,503,CCNCC,14277
504,504,n2)c3,14270
505,505,O)[C@@H](O),14247
506,506,.OC(=O)C(F)(F),14140
507,507,O=C(N,14137
508,508,COC(=O)C,14084
509,509,CCOC(=O)C,14072
510,510,\C=C(,14033
511,511,CCN(CC1)c2,13987
512,512,)C(=O)NC,13876
513,513,O=C1,13872
514,514,2)c3ccccc3,9016
515,515,COc1cc2,13798
516,516,NC1,13733
517,517,[C@H]1CC,13718
518,518,2CCCC,13677
519,519,[C@]4,13669
520,520,n1)c2,13596
521,521,ccc5,13576
522,522,c4ccccc4),13553
523,523,[C@H]2C,13535
524,524,(Cl)c3,3325
525,525,[C@@H]2CC,13524
526,526,[C@@]4,13474
527,527,%2,13464
528,528,onc(,13395
529,529,cc(C),13358
530,530,n[nH],13323
531,531,c3ccc(cc3),13319
532,532,CN1C,13305
533,533,NC(=O)OC,13296
534,534,c2ccc(F)cc,13212
535,535,c4cccc(,13208
536,536,NC(=O)c2,12983
537,537,)c3ccccc,12880
538,538,(CC(=O)N,12870
539,539,3)cc1,2454
540,540,F)c2,3273
541,541,c6ccccc6,2905
542,542,\C(=N/,12813
543,543,n5,5435
544,544,[C@@H]3CC,12765
545,545,ccncc,12756
546,546,[Na,12693
547,547,2CCCCC,12690
548,548,(Cl)c(,12668
549,549,3=C,12643
550,550,2)c4,12628
551,551,cc4,12611
552,552,[Na+].,12582
553,553,c(N),12569
554,554,C(=O)OC,1678
555,555,NC(=O)[C@H](CC(C)C),12483
556,556,c4c3,6562
557,557,c2C,12459
558,558,O)c(,12454
559,559,N(C)C,1721
560,560,NC(=N),12275
561,561,(=S),12258
562,562,c4ccc(Cl)cc,12234
563,563,nc5,1606
564,564,2(CC,12216
565,565,ccc(C,12206
566,566,[C@@H](CO),12076
567,567,n(,12049
568,568,cc(OC)c1,12002
569,569,4CCCCC,11994
570,570,OP(=O)(O),11977
571,571,c1cccc(c1)c2,11952
572,572,CCNC,11948
573,573,O=C(C,11931
574,574,nc(C),11910
575,575,[S,11743
576,576,N1C,11727
577,577,CC1(C),11666
578,578,c1ncn,11642
579,579,2)cc1,1944
580,580,ccc(O)cc,11588
581,581,)c(O),11585
582,582,C(=O)NCC,11553
583,583,[C@@H](O)C,11545
584,584,Cc1ccc(cc1),11438
585,585,)S(=O)(=O)N,11427
586,586,c4ccc(F)cc,11338
587,587,[C@@H]3C,11259
588,588,cc(c1,11223
589,589,c2c[nH],11223
590,590,6CC,11170
591,591,(C)C)C,1758
592,592,=C(N)N),11148
593,593,n1),11100
594,594,O[C@H](,11092
595,595,c3cccc(c3,11078
596,596,N(,11072
597,597,([O-],11049
598,598,CC[C@H](C),11035
599,599,CCC(C,11028
600,600,c(Cl)cc,11024
601,601,3(CC,11004
602,602,.OC(=O)C(F)(F)F,2466
603,603,c2nc(,11002
604,604,c1ccccc1C,10996
605,605,cc(O),10976
606,606,NC(=O)NC,10974
607,607,c1nc2,10963
608,608,)c2c1,10962
609,609,[nH]c(,10879
610,610,(C)(C,10839
611,611,ncc(,10823
612,612,CC(C,10756
613,613,)cc3,8962
614,614,c2cc1,10726
615,615,CS,10718
616,616,c1c[nH],10687
617,617,)S(=O)(=O),10656
618,618,4CCCC,10607
619,619,c1nn,10580
620,620,[C@@]5,10549
621,621,OCCN,10476
622,622,CCC1,10444
623,623,2=N,10421
624,624,CC(=O)NC,10415
625,625,c1cccc2,10383
626,626,4)C(=O),10383
627,627,n3),10342
628,628,c4ccc5,10328
629,629,2)N,10322
630,630,\C(=N\,10319
631,631,)c(C),10308
632,632,F)c4,2897
633,633,c8,10237
634,634,6C,10204
635,635,5)c6,10152
636,636,CN1C(=O),10104
637,637,[C@H]3CC,10098
638,638,CN=C(N)N),10083
639,639,4=O),10047
640,640,s1,10026
641,641,CCNC(=O),10019
642,642,c1ccc(Cl)cc,10000
643,643,2/,9992
644,644,3=O,9957
645,645,4)cc1,9952
646,646,sc(,9946
647,647,cccs,9935
648,648,\N=C(,9916
649,649,NC(=O)[C@H](CCCNC(=N)N),9901
650,650,6),9853
651,651,O[C@H](CO)[C@@H](O),9843
652,652,c2ccc(C,9825
653,653,(OC,9795
654,654,[N+](=O)[O-]),9774
655,655,NC1=O),9767
656,656,NC(=O)[C@H](CCCCN,9697
657,657,4)N,9637
658,658,=NC,9620
659,659,CCn1,9617
660,660,nc(N),9602
661,661,csc(,9588
662,662,[C@H]3C,9548
663,663,2Cl,2759
664,664,[C@H](N),9508
665,665,c2cccc3,9493
666,666,C1,9481
667,667,CN(C)C,9466
668,668,CN(,9444
669,669,[C@@H](C)O),9440
670,670,c4ccccc4C,9436
671,671,n2C,2066
672,672,n2cn,9402
673,673,Cl),9387
674,674,CN(C)CC,9360
675,675,2)c3ccc(,9356
676,676,2)S(=O)(=O),9352
677,677,OC)c2,9302
678,678,(Cl)c2,3003
679,679,NC(=O)[C@H](CO),9254
680,680,CNC(=O),9199
681,681,c5ccccc4,9176
682,682,oc(C,9160
683,683,c1ccc(cc1)C,9147
684,684,OC(=O)N,9110
685,685,s2,9075
686,686,CN3,9052
687,687,c4cn,9027
688,688,(C)(C)C),9020
689,689,Clc1ccc(,9009
690,690,CCN(C)CC,8958
691,691,c23,8917
692,692,c2ccc(cc2,8845
693,693,4)CC,8820
694,694,)C(=O)N[C@@H](C,8814
695,695,ncccc,8792
696,696,Nc1nc(,8792
697,697,3)CC,8790
698,698,[C@H]5,8783
699,699,OC)c(,8732
700,700,OCCCC,8731
701,701,)c2ccccc,8721
702,702,Oc1ccc(,8718
703,703,COc1ccc(cc1)c2,8700
704,704,c4c(,8685
705,705,)C2=O),8667
706,706,\C=C(/C,8661
707,707,N3CCN(CC,8649
708,708,c1ccc(cc1)C2,8614
709,709,)c3ccccc3,4086
710,710,(=CC,8571
711,711,)c7,8566
712,712,c2ccc(O)cc,8531
713,713,(C)C(=O),8523
714,714,c%1,8517
715,715,3)N,8511
716,716,(F)(,8511
717,717,nn2,4458
718,718,[C@](C),8479
719,719,c2cc3,8470
720,720,OS(=O)(=O),8457
721,721,5CCOCC,8377
722,722,[C@@H]4CC,8358
723,723,C(=O)N),8348
724,724,NC(=S)N,8339
725,725,c5ccc,8333
726,726,(O)(C,8332
727,727,NC(=O)CS,8312
728,728,nnc(,8278
729,729,c3c[nH],8278
730,730,4)C(=O)N,8244
731,731,OC(F)(F),8238
732,732,c5ccc(,8211
733,733,Fc1ccc(,8181
734,734,(C)c2,8170
735,735,3=N,8161
736,736,NC(=O)[C@H](C),8141
737,737,)\C,8118
738,738,(Cl)c4,2727
739,739,c(cn,8077
740,740,C[C@@H]1,8073
741,741,OC[C@H]1,8053
742,742,[C@@H]5CC,7993
743,743,(=NC,7961
744,744,O)c2,7933
745,745,C(=O)N(CC,7919
746,746,CC(=O)O,3868
747,747,CN1CC,7865
748,748,s3,7864
749,749,4CCC,7862
750,750,S),7856
751,751,1)c3,7852
752,752,CCC(CC1),7847
753,753,c3ccc(O)cc,7823
754,754,c3ccccc23),7803
755,755,c(Cl),7803
756,756,O)c(O),7794
757,757,Cc1ccc(C,7793
758,758,[n+]1,7788
759,759,(=C(C,7748
760,760,)c5ccccc5,6441
761,761,)c4ccccc4,7104
762,762,)cc1OC,7696
763,763,(N),7639
764,764,\C=C\C(=O),7630
765,765,ccccc7,1871
766,766,c3cccc4,7628
767,767,OCCOCC,7608
768,768,N1C(=O),7604
769,769,\C=C\C,7596
770,770,Cc1ccc2,7584
771,771,\C=C\2/,7509
772,772,sc3,7504
773,773,c3cccnc3,2300
774,774,2)C(=O)NC,7470
775,775,[C@]5,7443
776,776,%3,7436
777,777,[C@H]2CC,7414
778,778,c1ccc(cc1)S(=O)(=O)N,7396
779,779,\N,7389
780,780,c1cccc(C,7375
781,781,c1ncc,7363
782,782,Cc1ccccc1,7356
783,783,OCCC,7346
784,784,2)c3ccc(cc,7336
785,785,c1c2,7326
786,786,COC,7320
787,787,[C@H](NC(=O)C,7287
788,788,CCC(=O)N,7266
789,789,(CO,7263
790,790,COc1cccc(,7230
791,791,OC)c(OC)c(OC,7225
792,792,c1)c2,7191
793,793,NC(=O)[C@H](CCCCN),7189
794,794,3)c1,7180
795,795,N(C)C(=O),7150
796,796,2CCOCC,7147
797,797,)C#N,1645
798,798,(C)c3,7118
799,799,c2nn,7115
800,800,CC1=C,7108
801,801,2)C(=O)C,7105
802,802,CCCCCCCCCCCC,7082
803,803,COc1cc(cc(OC)c1,7073
804,804,n1C,1636
805,805,13,7067
806,806,CS(=O)(=O),7027
807,807,[C@@H]5,7020
808,808,N2C(=O),6988
809,809,CCN(CC),6964
810,810,[C@@H](NC(=O),6952
811,811,[C@@H]1O),6948
812,812,[C@H](OC(=O),6928
813,813,NC(=O)[C@H](CC(=O)O),6917
814,814,(C)C)C(=O)N[C@@H](CC,6916
815,815,[C@]4(C),6910
816,816,(CCCC,6902
817,817,(=C),6892
818,818,sc2,6883
819,819,cccnc,6879
820,820,[C@@](C),6879
821,821,N(C(=O),6859
822,822,(CC(C,6858
823,823,c2cccnc2,1670
824,824,oc(nn,6851
825,825,c2ccccc2)C,6830
826,826,cncn,6824
827,827,c2c(C,6819
828,828,CN1CCN(CC,6818
829,829,)c2cc1,6793
830,830,cc(cn,6784
831,831,(Cl)c(Cl)c,6782
832,832,5CCCC,6759
833,833,[C@H](O)[C@@H](O),6742
834,834,)C2=O,6741
835,835,(NC(=O),6726
836,836,sc1,6720
837,837,co,6712
838,838,(CO),6692
839,839,(F)(F)C,6690
840,840,ncc3,6672
841,841,1CCC,6669
842,842,(C(=O),6665
843,843,c1ccc(cc1)C(=O)N,6622
844,844,NC(=O)[C@H](CCC(=O)O),6622
845,845,[Br,6619
846,846,[Br-].,6615
847,847,OCOc5,6599
848,848,c2ccc(cc2)C,6596
849,849,=C(C),6587
850,850,[C@H](CO),6583
851,851,cc(CC,6535
852,852,c3ccc(cc3,6534
853,853,cc(OC,6528
854,854,c3C,6527
855,855,c3o,6514
856,856,c1ccc2C,6494
857,857,)C(=O)O),6493
858,858,[C@H](NC(=O)[C@H](C,6461
859,859,1=N,6459
860,860,c1ccc(O),6455
861,861,=CC=C,6448
862,862,[C@@H](O[C@@H],6431
863,863,COc1cccc(c1,6423
864,864,5CCCCC,6415
865,865,4CCOCC4,6413
866,866,O1,6410
867,867,COCC,6391
868,868,c3ccc(Cl)cc3,4303
869,869,NS(=O)(=O)C,6359
870,870,SSC,6355
871,871,4CCN(CC,6352
872,872,NC(=O)[C@@H](C,6345
873,873,COc1cc(ccc1,6338
874,874,2C(=O),6331
875,875,C(=O)N[C@@H](CCCNC(=N)N),6326
876,876,c2ccccc2)c3,6322
877,877,NC(=O)[C@H](CC(=O)N,6319
878,878,cccc3,6317
879,879,)c2),6317
880,880,[C@H](O,6316
881,881,N1CC,6314
882,882,NC(=O)c2cc(,6298
883,883,c2),6293
884,884,c3cc4,6289
885,885,1Cl,6276
886,886,c1c(C),6262
887,887,N3C,6256
888,888,Cc1cccc(,6249
889,889,3CCOCC3,6248
890,890,c1ccc2c(,6244
891,891,C(,6221
892,892,O)\,6220
893,893,c3occc,6216
894,894,C(=O)C(=C,6214
895,895,[C@@H](C)CC,6210
896,896,C[C@]1,6194
897,897,#N)C,6194
898,898,nc(cs,6183
899,899,F)cc(,6179
900,900,3)c4ccc(,6179
901,901,=C(O,6169
902,902,/C/,6168
903,903,2CCC(CC,6160
904,904,1)C2,6146
905,905,NC(=O)[C@@H](N)C,6143
906,906,CN2C(=O),6143
907,907,O[C@H](CO)[C@@H](O)[C@H](O),6114
908,908,ncnc(N,6078
909,909,1CCN(CC,6073
910,910,c3ccc(cc3)C,6070
911,911,Nc1n,6066
912,912,c2ccccc12),6061
913,913,CCN1C,6057
914,914,)c3ccc(,6049
915,915,(O)CC,6037
916,916,[C@H]6,6032
917,917,cccc2,6020
918,918,c3ccc(C,5996
919,919,cnc(,5986
920,920,NCCCC,5984
921,921,Cl.Cl.,5978
922,922,[S+],5959
923,923,O)cc1,5956
924,924,)c2C,5945
925,925,no,5923
926,926,.OC(=O),5922
927,927,C[C@H]1,5920
928,928,c1ccc(NC(=O),5919
929,929,C(C,5915
930,930,nn(,5906
931,931,c2ccc(cc2)c3,5903
932,932,cc5,5901
933,933,c3ccccc23,5890
934,934,(=O)O,5875
935,935,Cc1cc(C),5864
936,936,c2c(C),5863
937,937,(CC(=O)O),5847
938,938,NCCC,5836
939,939,cccc(C,5808
940,940,4=C,5806
941,941,ccc(C)cc,5796
942,942,ccccc14,5783
943,943,CCCCCCCCCCCCCCCC,5767
944,944,c3ccc(C)cc,5730
945,945,c3ccccc3)c4,5725
946,946,=CC(=O)N,5715
947,947,[C@H]7,5700
948,948,[C@H]4C,5697
949,949,c4cccc(c4,5696
950,950,c5ccc(cc,5693
951,951,c1cc(ccc1,5686
952,952,nc(NC,5674
953,953,)cc2),5664
954,954,2CCN(C,5637
955,955,=C1,2548
956,956,6)C,5619
957,957,C(=O)N[C@@H](CCCCN,5610
958,958,[C@H](OC(=O)C),5596
959,959,c1ccccc1)c2,5590
960,960,)C(=O)OC,5590
961,961,ncc2,5569
962,962,1)S(=O)(=O),5565
963,963,4)c3,5554
964,964,(Cl)c1,5554
965,965,s2),5523
966,966,c3ncc,5518
967,967,c13,5515
968,968,c2ccc3ccccc3,5488
969,969,c5ccccc5),5487
970,970,c3ccccc3)C,5486
971,971,c2nc3,5485
972,972,3)c(,5482
973,973,[C@@]2(C),5469
974,974,#N)c(,5453
975,975,3CCCCC3,1984
976,976,ccc3C,5386
977,977,n3)c4,5357
978,978,\C=C\C(=O)N,5357
979,979,CCC(C),5357
980,980,1CCCCC,5345
981,981,Cc1c(,5344
982,982,c3ccc(Br)cc,5336
983,983,CN(C)C(=O),5326
984,984,[C@@H]4C,5320
985,985,3)N4,5307
986,986,[C@@H](O)[C@H](O),5302
987,987,\C=C/C,5286
988,988,c1ccc(O)cc1),5274
989,989,c4cc5,5271
990,990,ncc1,5251
991,991,cc(NC(=O),5242
992,992,c1c(C,5236
993,993,3)S(=O)(=O),5226
994,994,=C3,5207
995,995,cccc(c3,5196
996,996,)cc4,4548
997,997,OC(F)(F)F)cc,5188
998,998,4C),5188
999,999,nccc(,5187
1000,1000,c1nnc(,5181
1001,1001,OC(,5177
1002,1002,5CCC,5177
1003,1003,COC1,5172
1004,1004,c1ccc(O,5165
1005,1005,C[C@H](,5164
1006,1006,N2CCC(CC,5163
1007,1007,c1cc(C,5154
1008,1008,nn3,2175
1009,1009,[C@@H](C)C,5118
1010,1010,n2)C,5116
1011,1011,2)N3,5115
1012,1012,c2ccc(Br)cc,5114
1013,1013,[C@]3(C),5109
1014,1014,c2o,5089
1015,1015,ccc2C,5086
1016,1016,c3c[nH]c4ccccc3,5081
1017,1017,OC(=O)CC,5080
1018,1018,cc2C,5074
1019,1019,[C@]2(C),5073
1020,1020,c5cc(,5072
1021,1021,CS(=O)(=O)N,5062
1022,1022,=C),5062
1023,1023,c2nnc(,5043
1024,1024,4)c5ccccc5,4707
1025,1025,c4ccc(O)cc,5029
1026,1026,N=C1,5020
1027,1027,cc(ccc2,5015
1028,1028,2)c1,5015
1029,1029,(C)C)N,5011
1030,1030,O[C@@H](,5009
1031,1031,[Na+].[Na+].,4990
1032,1032,CN1CCN(CC1)c2,4988
1033,1033,NC(=O)[C@@H](N),4979
1034,1034,[C@H](C)C,4970
1035,1035,(F)(F)F,2621
1036,1036,N2CCCC,4965
1037,1037,2)c3cccc,4949
1038,1038,c2ccc(C)cc,4946
1039,1039,Oc3ccc(,4945
1040,1040,\N=C(/,4926
1041,1041,c1ccc(OC,4925
1042,1042,1)c2ccc(,4921
1043,1043,Nc1ncn,4909
1044,1044,NC(=O)[C@H](CCC(=O)N),4908
1045,1045,OC)C,4907
1046,1046,cc(C(=O)N,4906
1047,1047,[Cl,4906
1048,1048,C(=O)OCC,4901
1049,1049,(=O)=O),4893
1050,1050,[Cl-].,4889
1051,1051,n(CC,4885
1052,1052,c9,4882
1053,1053,O2,4877
1054,1054,nccc,4868
1055,1055,N3CC,4867
1056,1056,NC(=O)[C@H](CC(=O)N),4863
1057,1057,2=C(C,4860
1058,1058,s4,4859
1059,1059,ccccc24,4859
1060,1060,N)c2,4854
1061,1061,ncnc3,4851
1062,1062,C(=O)CC,4848
1063,1063,COc1cc(C,4846
1064,1064,oc(cc,4831
1065,1065,n2c(,4806
1066,1066,4)cc,4801
1067,1067,4(CC,4800
1068,1068,2)c(,4789
1069,1069,c1cccnc1,4785
1070,1070,(F)(F)F),4783
1071,1071,ccc(cc2,4782
1072,1072,(=C)C,4772
1073,1073,(Cl)C,4760
1074,1074,N2CCC,4754
1075,1075,P(=O)(,4753
1076,1076,C[C@@H](,4747
1077,1077,=CC(=O)C,4745
1078,1078,s3),4731
1079,1079,cc6,4728
1080,1080,c2occc,4727
1081,1081,)C(F)(F)F)cc,4727
1082,1082,CCCNC(=O),4722
1083,1083,[n+]2,4704
1084,1084,c3c(C),4696
1085,1085,1)C(=O)C,4692
1086,1086,nc2c1,3473
1087,1087,)CC2,4666
1088,1088,CCOc1ccc(,4665
1089,1089,c(Cl)c,4664
1090,1090,\C=C(/C)\,4659
1091,1091,1=C(C),4658
1092,1092,4)c1,4654
1093,1093,c3ccncc,4653
1094,1094,CC2,3131
1095,1095,O[C@H]([C@H](O),4640
1096,1096,(O)(,4639
1097,1097,COc1cccc(C,4626
1098,1098,4CC4,4621
1099,1099,=[N+],4613
1100,1100,c(F)cc,4606
1101,1101,[C@@H]6,4599
1102,1102,)c2ccccc2,4599
1103,1103,CC(C)C[C@H](,4598
1104,1104,CC(C)(C)O,4595
1105,1105,c3cccc(Cl)c3,4593
1106,1106,(C)(C)C)C,4593
1107,1107,nn1,2144
1108,1108,=C2,4579
1109,1109,C(=O)NCC(=O)N,4576
1110,1110,C[C@@H]1CC,4574
1111,1111,CN4,4565
1112,1112,Cc1ccc(cc1,4564
1113,1113,c3nc(,4562
1114,1114,2)S(=O)(=O)N,4560
1115,1115,c3ccc(F)cc3,3271
1116,1116,ccc1C,4552
1117,1117,[C@@H]1O,4548
1118,1118,CC(C)O,4546
1119,1119,c2ccc3OCO,4535
1120,1120,3)c4ccc(cc,4529
1121,1121,c2nc3ccccc3,4528
1122,1122,c5cccc,4526
1123,1123,O)[C@H](O),4520
1124,1124,CC(C)(C)C,4516
1125,1125,C(=O)N[C@@H](C),4511
1126,1126,OC)c3,4504
1127,1127,=CC(=O)O,4498
1128,1128,[C@@]4(C),4488
1129,1129,O=C(CC,4488
1130,1130,C),4487
1131,1131,CNCC,4485
1132,1132,)CC1,4483
1133,1133,n3C,4479
1134,1134,CCCN(CC,4469
1135,1135,cccc1,4468
1136,1136,NC(=O)\C=C\,4467
1137,1137,O)c3,4461
1138,1138,O[C@@H]1,4456
1139,1139,[C@@H]7,4444
1140,1140,5=O),4443
1141,1141,c2ccc(O,4437
1142,1142,N(C(=O)C,4435
1143,1143,NC(=O)CO,4431
1144,1144,c1o,4427
1145,1145,[C@]12C,3348
1146,1146,[C@]1(C),4418
1147,1147,c3ccc4OCO,4411
1148,1148,4=O,4411
1149,1149,N=C2,4397
1150,1150,c1)C(=O)N,4368
1151,1151,4CCCCC4,4365
1152,1152,([O-]),4359
1153,1153,c2ccc(O)cc2),4355
1154,1154,[nH]cn,4351
1155,1155,c3ccc(OC)cc,4350
1156,1156,CN1C(=O)C,4350
1157,1157,NC(=O)CN,4334
1158,1158,c3ccc4ccccc4,4332
1159,1159,Cc1cc(C,4332
1160,1160,c2ccc(cc2)S(=O)(=O)N,4328
1161,1161,O[C@H]1,4322
1162,1162,%11,4305
1163,1163,c2s,4299
1164,1164,N(C)C),4298
1165,1165,CC(=O)O),4297
1166,1166,N=C(N),4292
1167,1167,)[N+](=O)[O-],3962
1168,1168,2)c3ccc4,4289
1169,1169,c7ccccc7,4283
1170,1170,[I,4257
1171,1171,c3c(O),4256
1172,1172,[C@@H](O)CC,4243
1173,1173,3CCN(C,4240
1174,1174,c2c[nH]c3ccccc23),4233
1175,1175,c3ccccc3)c4ccccc4,3465
1176,1176,[I-].,4227
1177,1177,=CC(=O)NC,4223
1178,1178,3)C(=O)C,4213
1179,1179,[O-]),4202
1180,1180,NC(=O)C1,4190
1181,1181,c4ccc(C)cc,4187
1182,1182,(C2),4187
1183,1183,c4ccc(cc4,4185
1184,1184,COc1ccc(cc1)C2,4170
1185,1185,C(F)(F)F,4170
1186,1186,\C(=C(,4163
1187,1187,1)N,4162
1188,1188,N(CC(=O)N,4157
1189,1189,3)c5,4157
1190,1190,1)c2ccccc,4151
1191,1191,c4ccccc34,4150
1192,1192,c3ccccc13,4150
1193,1193,ccnc3,4147
1194,1194,CCCC1,4142
1195,1195,3)c4cccc,4140
1196,1196,Cc1cn,4139
1197,1197,CSCC,4138
1198,1198,c5cccc(,4136
1199,1199,(=N)N,3126
1200,1200,n4),4132
1201,1201,[C@H]4CC,4128
1202,1202,2=O)cc1,4125
1203,1203,c4ccncc,4123
1204,1204,)c3ccc(cc,4105
1205,1205,c4c[nH],4099
1206,1206,n6,4093
1207,1207,Clc1ccc(C,4089
1208,1208,)c(OC)c1,4088
1209,1209,[H],4080
1210,1210,)c(Cl)c1,4078
1211,1211,sc4,4076
1212,1212,N[C@@H](C,4075
1213,1213,CCN(CC)CC,4075
1214,1214,NC(=O)[C@@H](CC,4071
1215,1215,NC(=O)C),4059
1216,1216,Oc1ccc2,4056
1217,1217,[C@]6,4054
1218,1218,c2cc(C),4044
1219,1219,(CC(=O),4044
1220,1220,N3CCCC,4038
1221,1221,3)C(=O)NC,4031
1222,1222,Fc1ccccc1,4027
1223,1223,[C@@H]4[C@@]5,4023
1224,1224,nc12,4018
1225,1225,Cc1nc(,4018
1226,1226,CC[C@H]1,4013
1227,1227,2=,4008
1228,1228,O=,4005
1229,1229,N2C(=O)C,3989
1230,1230,Fc1ccc(C,3980
1231,1231,c1ccc(Cl)cc1,3977
1232,1232,2CCCN(C,3977
1233,1233,O[C@@H]2,3974
1234,1234,NC(=O)[C@H](Cc1ccccc1),3972
1235,1235,CC1CC,3972
1236,1236,c3cc(C),3969
1237,1237,c1O,3959
1238,1238,c2ccc(OC,3954
1239,1239,CCCC(=O)N,3951
1240,1240,occc4,3942
1241,1241,c2ccc(N,3940
1242,1242,COc1cccc2,3938
1243,1243,c5ccc(F)cc,3929
1244,1244,OCC1,3927
1245,1245,O[C@@H](C,3927
1246,1246,=C(C)C,3927
1247,1247,cc(nn,3925
1248,1248,=C(N,3917
1249,1249,c(NC,3916
1250,1250,c2c(O),3913
1251,1251,[C@H]8,3913
1252,1252,3Cl,3912
1253,1253,2)c3ccc(Cl)cc,3912
1254,1254,N2CCN(CC2)C(=O),3911
1255,1255,c2ccncc,3904
1256,1256,)C3,3902
1257,1257,#CC,3897
1258,1258,)n2,1786
1259,1259,4)c(,3886
1260,1260,F.,3881
1261,1261,c4cccnc4,1663
1262,1262,Clc1ccccc1,3877
1263,1263,OCC(=O),3872
1264,1264,nc2C,3871
1265,1265,[C@@H](N),3863
1266,1266,ccc12,3862
1267,1267,c1ccc(C),3858
1268,1268,cocc,3856
1269,1269,c2ccc(OC)cc,3855
1270,1270,[C@@H]([C@@H](C)O),3850
1271,1271,nc5ccccc5,3844
1272,1272,CC1=N,3842
1273,1273,3CC4CC,3832
1274,1274,c2cc(ccc2,3828
1275,1275,)c4ccc(,3822
1276,1276,OCCCN,3811
1277,1277,(=O)O)C(=O),3809
1278,1278,=C(C)C(=O)NC,3808
1279,1279,nc3ccccc3,3801
1280,1280,Cc1o,3801
1281,1281,cc(OC)c1OC,3800
1282,1282,nc6,3791
1283,1283,CCOC(=O)C1,3788
1284,1284,F)c1,3357
1285,1285,c2ccc(NC(=O),3769
1286,1286,CN3C(=O),3769
1287,1287,[C@H](C)O,3766
1288,1288,Br.,3763
1289,1289,C\C(=N/,3762
1290,1290,N2CCOCC,3761
1291,1291,N(CCC,3760
1292,1292,c2cc(Cl),3757
1293,1293,OC(=O)C)C,3753
1294,1294,Cc1ccc(cc1)c2,3753
1295,1295,[C@@]2(CC,3747
1296,1296,3)c4ccc(F)cc,3746
1297,1297,Clc1ccc2,3742
1298,1298,#N)c2,3735
1299,1299,[C@@H](OC(=O)C),3734
1300,1300,c3nn,3725
1301,1301,(C)C)C(=O),3715
1302,1302,\N=C/,3712
1303,1303,5)N,3712
1304,1304,c(N)ncn,3711
1305,1305,)C(=O)N[C@@H](CCCCN,3710
1306,1306,c3c(C,3707
1307,1307,c1c[nH]c2ccccc12),3704
1308,1308,NC(=O)C2,3704
1309,1309,3)S(=O)(=O)N,3699
1310,1310,[C@H](N)C,3689
1311,1311,c1oc(,3685
1312,1312,c5ccc(Cl)cc,3684
1313,1313,CCCCO,3683
1314,1314,ccccc8,3668
1315,1315,1=O)C,3668
1316,1316,2)n3,3667
1317,1317,c4cccc5,3664
1318,1318,c1cccc,3661
1319,1319,NC(=O)CN2,3659
1320,1320,c%2,3658
1321,1321,Fc1ccc(cc1),3655
1322,1322,2CCN(CC2)c3,3651
1323,1323,FC,3649
1324,1324,)c8,3649
1325,1325,c1cccc(c1)N,3644
1326,1326,S1,3643
1327,1327,)cc1Cl,3642
1328,1328,%4,3640
1329,1329,5CCOCC5,3639
1330,1330,CC(=O)N1,3631
1331,1331,n2cc,3629
1332,1332,1/,3623
1333,1333,c2ncc,3614
1334,1334,cccnc3,2057
1335,1335,O.,3603
1336,1336,Cc1cc2,3598
1337,1337,[C@@]3(C),3595
1338,1338,COc1ccc2c(,3590
1339,1339,c3nc4ccccc4,3587
1340,1340,CC(N,3587
1341,1341,c1ccc(Nc2,3586
1342,1342,nc(O),3575
1343,1343,7),3571
1344,1344,)cc1),3570
1345,1345,\C(=O)N,3564
1346,1346,C[C@@H](O),3563
1347,1347,Br)c(,3563
1348,1348,[N-],3560
1349,1349,F)c5,3556
1350,1350,CN2C,3554
1351,1351,ccccc34,3553
1352,1352,CCC(,3552
1353,1353,CC1=O),3551
1354,1354,(CC),3546
1355,1355,c4C,3537
1356,1356,[C@@](C)(C,3535
1357,1357,Cc1nn,3534
1358,1358,c4ccccc4)CC,3525
1359,1359,CN1C(=O)N(C,3524
1360,1360,COc1ccc(cc1OC,3522
1361,1361,2)C3,3519
1362,1362,(C)cc3,3519
1363,1363,n1)C,3518
1364,1364,C(=O)O)C,3518
1365,1365,c1)C,3517
1366,1366,N2CCN(C,3517
1367,1367,c1c(O),3513
1368,1368,cc(N,3506
1369,1369,c4ccccc4)C,3498
1370,1370,NC(=S),3495
1371,1371,Cc1ccc(cc1)S(=O)(=O)N,3494
1372,1372,2CCN(CC2)C(=O),3490
1373,1373,COc1ccc(cc1)C,3486
1374,1374,n2)cc1,3485
1375,1375,cc(cc1,3483
1376,1376,ccc6,3480
1377,1377,[nH]2,3476
1378,1378,3)c4cccc(,3472
1379,1379,c2ccc(Cl)cc2),3467
1380,1380,O=C1C,3463
1381,1381,OC(C)(C)C,3461
1382,1382,CCN(CC1)C(=O),3460
1383,1383,[C@@H](OC(=O),3458
1384,1384,c2ccc(cc2)C(=O)N,3447
1385,1385,)c(C)c1,1614
1386,1386,c2ccccc2)c3ccccc3,1668
1387,1387,C(=O)N[C@@H](CCC(=O)O),3438
1388,1388,Cc1onc(,3437
1389,1389,c4ccc(cc4)C,3432
1390,1390,N3CCOCC,3429
1391,1391,[C@@H]5C,3425
1392,1392,(nn,3423
1393,1393,O=C(NC,3422
1394,1394,(=C(,3422
1395,1395,cc(C)c1,3420
1396,1396,CN(C(=O),3419
1397,1397,[C@H](Cc1ccccc1),3417
1398,1398,c3cc(Cl),3405
1399,1399,)cn1,3402
1400,1400,COP(=O)(O),3393
1401,1401,C[N+],3393
1402,1402,CCCCCCC,3392
1403,1403,c1s,3387
1404,1404,c6ccccc5,3385
1405,1405,(C)(C)CC,3381
1406,1406,nnc1,3380
1407,1407,cc(F),3376
1408,1408,4)C2,3375
1409,1409,#N)c3,3373
1410,1410,NC(=O)[C@H](Cc2ccccc2),3368
1411,1411,c%10,3365
1412,1412,3)c2,3363
1413,1413,c5ccc6,3361
1414,1414,[Si,3358
1415,1415,CC(=O)C,3355
1416,1416,(C)C)C(=O)N[C@@H](C,3349
1417,1417,[C@@H](N)C,3345
1418,1418,COC(=O)N,3344
1419,1419,cccc(c2,3343
1420,1420,.OC(=O)C(=O)O,3342
1421,1421,noc(,3337
1422,1422,c3ccc(Cl)cc3),3337
1423,1423,CC1=C(C,3337
1424,1424,n3)C,3335
1425,1425,CN1CCC,3334
1426,1426,[C@H]3O),3331
1427,1427,c2ccccc2Cl,3329
1428,1428,c1nc2ccccc2,3329
1429,1429,ccc1O,3322
1430,1430,OC(C)(C),3322
1431,1431,3)c4ccc(Cl)cc,3319
1432,1432,c3s,3316
1433,1433,[Si],3315
1434,1434,1)c2ccc(cc,3311
1435,1435,c1cnc(,3310
1436,1436,NC(=O)[C@@H](NC(=O),3307
1437,1437,2)c3ccccc3),3304
1438,1438,C[C@]12CC,3298
1439,1439,3CCCCC3),3295
1440,1440,c3cc2,3287
1441,1441,c4o,3280
1442,1442,NC2,3280
1443,1443,n2cnc3c(,3277
1444,1444,[C@H]1O,3276
1445,1445,c12),3274
1446,1446,s1),3272
1447,1447,[C@H](OC,3272
1448,1448,[C@H]1CC[C@H]2,3267
1449,1449,3CCC(CC,3262
1450,1450,CCOc1ccccc1,3259
1451,1451,CC1(C)CC,3252
1452,1452,NC(=N,3245
1453,1453,CCN(,3245
1454,1454,(=C1C,3243
1455,1455,c1[nH],3241
1456,1456,4=N,3241
1457,1457,cc(c2,3240
1458,1458,3CCCC3,3238
1459,1459,Oc1cc(,3235
1460,1460,n2nc(,3231
1461,1461,CN(CC(=O)N,3226
1462,1462,c1cccc(c1)C(=O)N,3225
1463,1463,7C,3219
1464,1464,(=C1,3219
1465,1465,OC2,3205
1466,1466,=[N+]=,3205
1467,1467,NCCCN,3204
1468,1468,4)c2,3201
1469,1469,C(=O)C(=,3195
1470,1470,NC(=O)N(C,3194
1471,1471,2C1=O),3191
1472,1472,CC[C@H](C)[C@H](,3188
1473,1473,c(OC,3187
1474,1474,cccc4,3183
1475,1475,c3ccccc3C2=O),3181
1476,1476,NC(=N)N,3181
1477,1477,CC(=,3181
1478,1478,NC2=O),3179
1479,1479,OP(=O),3176
1480,1480,N=C(C,3174
1481,1481,C(=O)N2,3173
1482,1482,5)cc1,3173
1483,1483,CCS,3169
1484,1484,c2cccc3ccccc2,3166
1485,1485,c3ccc(Cl)c,3163
1486,1486,c2ccc3OCOc3c2,3161
1487,1487,N3CCCCC,3160
1488,1488,CCN1C(=O),3160
1489,1489,NC(=O)[C@H](CCCN=C(N)N),3156
1490,1490,5CCN(CC,3152
1491,1491,(C1),3152
1492,1492,=CC(=NC,3149
1493,1493,5)C(=O)N,3146
1494,1494,)C1,1968
1495,1495,CC(C)C[C@H](NC(=O),3136
1496,1496,n3cn,3129
1497,1497,\C=N\NC(=O),3126
1498,1498,c34,3122
1499,1499,c1ccccc1)C,3119
1500,1500,(C)(C)[C@@H]5CC,3117
1501,1501,[C@H]5C,3116
1502,1502,[C@H](O[C@@H],3115
1503,1503,(C)cc2,3106
1504,1504,)c2ccc(,3101
1505,1505,C(=O)C=C,3094
1506,1506,CCCC(=O),3092
1507,1507,O=C(N1,3091
1508,1508,)c4ccc(cc,3088
1509,1509,n1c(,3087
1510,1510,4CC4),3082
1511,1511,[C@H]2O),3078
1512,1512,COc1cc(cc(OC)c1OC,3077
1513,1513,C(=O)NC(=N,3068
1514,1514,c2ccc(Cl)cc2,2694
1515,1515,[C@@]6,3065
1516,1516,c4ccc(Cl)cc4,2432
1517,1517,P(=O)(O)O),3060
1518,1518,O=S(=O),3057
1519,1519,c3ccc(cc2,3055
1520,1520,C(=O)N2C,3055
1521,1521,c2ccc(F)cc2),3054
1522,1522,NC(C,3049
1523,1523,(C)O,3049
1524,1524,4CCCC4,3045
1525,1525,c1Cl,3041
1526,1526,c3ccc(O)cc3),3029
1527,1527,c5ccccc5C,3027
1528,1528,)C(=O)N[C@@H](CCCNC(=N)N),3026
1529,1529,C[C@@]1,3007
1530,1530,OC3,3006
1531,1531,nc23,2992
1532,1532,2CCCCC2),2992
1533,1533,Oc3cc(,2991
1534,1534,3)c4ccc,2991
1535,1535,2)c3cc(,2989
1536,1536,CN1C(=O)N,2985
1537,1537,Nc1ncnc2c1,2984
1538,1538,Br)c,2982
1539,1539,COc1ccc(OC)c(,2976
1540,1540,[C@H](N,2974
1541,1541,4)C(F)(F)F,2973
1542,1542,[C@@]34C),2969
1543,1543,c4ccc(cc4),2964
1544,1544,Oc4ccccc4,2964
1545,1545,c3cccs,2962
1546,1546,COc1ccc(cc1)S(=O)(=O)N,2962
1547,1547,nn[nH],2960
1548,1548,c1nc(C,2954
1549,1549,c2ccc3c(,2951
1550,1550,=C(C(=O)N,2946
1551,1551,3C1=O,2945
1552,1552,c5ccccc45,2943
1553,1553,c3ncn,2943
1554,1554,=C(C(=O)O)C(=O),2942
1555,1555,cn3,2941
1556,1556,N3CCC(CC,2941
1557,1557,COc1ccccc1C,2941
1558,1558,cc(Cl)ccc3,2939
1559,1559,%12,2939
1560,1560,5)C(=O),2931
1561,1561,[C@]3(C)C,2928
1562,1562,c2cccc(C,2927
1563,1563,Oc2ccc(,2927
1564,1564,NC(=O)C(,2927
1565,1565,O[C@@H](O,2925
1566,1566,Cc1oc(,2922
1567,1567,)c2cc1OC,2922
1568,1568,[n+]([O-],2914
1569,1569,\S,2912
1570,1570,OO,2909
1571,1571,c4ccc(F)cc4,2724
1572,1572,c3ccc4OCOc4c3,2907
1573,1573,c3ccc(cc3)c4ccccc4,2906
1574,1574,c1ccc(F)cc,2904
1575,1575,CCCCC1,2898
1576,1576,c3nc4,2897
1577,1577,4CC5CC,2889
1578,1578,6CCOCC,2886
1579,1579,S)N,2885
1580,1580,c4ccc(C,2881
1581,1581,O)c(C,2881
1582,1582,7CC,2881
1583,1583,c3),2878
1584,1584,[n+](C,2878
1585,1585,3)n4,2876
1586,1586,C(=O)N[C@@H](CCCN=C(N)N),2872
1587,1587,NC(=O)[C@@H](NC(=O)[C@H](C,2871
1588,1588,CC(C)n1,2869
1589,1589,COc1cc(OC),2868
1590,1590,Cc1nc2,2866
1591,1591,[C@@H]4[C@@]5(C)CC,2858
1592,1592,CC(=O)N[C@@H](C,2858
1593,1593,(CC1,2857
1594,1594,CCCCN,2852
1595,1595,5CC5,2852
1596,1596,[n+]3,2850
1597,1597,CC1C,2849
1598,1598,)C1=O,2846
1599,1599,)C(F)(F)F)C,2843
1600,1600,c2ccccc2)C(=O)N,2842
1601,1601,CC(O),2842
1602,1602,[nH]3,2839
1603,1603,c1)c3,2837
1604,1604,SC),2837
1605,1605,c5c4,1725
1606,1606,Nc2ncn,2826
1607,1607,NC(=O)CNC(=O),2826
1608,1608,c1)S(=O)(=O)N,2822
1609,1609,)C(F)(F)F)c3,2821
1610,1610,Oc1ccccc1,2820
1611,1611,c3ccccc1,2816
1612,1612,CCOC(=O)N1,2812
1613,1613,OCCCO,2811
1614,1614,N(C)C(=O)N,2807
1615,1615,CCC(=O),2806
1616,1616,1)c2ccc3,2802
1617,1617,[C@]4(C)[C@H]3CC,2801
1618,1618,ONC(=O),2800
1619,1619,\C(=C/C,2799
1620,1620,c3ccc(F)cc3),2795
1621,1621,COc1cccc(c1)c2,2792
1622,1622,Cn1c(,2791
1623,1623,OC3=O),2787
1624,1624,O)cc2,2787
1625,1625,3C2=O),2787
1626,1626,)c3),2787
1627,1627,cnn(C,2784
1628,1628,c2c1)c3,2781
1629,1629,[C@@H]1CCCN1C(=O),2781
1630,1630,)cc2)cc1,2780
1631,1631,3/,2776
1632,1632,ns,2772
1633,1633,CCN(C)C,2772
1634,1634,6)c7,2772
1635,1635,n2CC,2770
1636,1636,CCN1CC,2768
1637,1637,5)c4,2767
1638,1638,SCC(=O),2766
1639,1639,C(=O)N[C@@H](CO),2765
1640,1640,c4cccc(Cl)c4,2762
1641,1641,n1CC,2760
1642,1642,c4ncc,2759
1643,1643,N3CCC,2759
1644,1644,[C@@H](O[C@H],2757
1645,1645,2)c3ccc(F)cc,2756
1646,1646,nc4ccccc4,2752
1647,1647,O[C@H]2,2746
1648,1648,c1ccccc1)C(=O)N,2736
1649,1649,)C2=N,2736
1650,1650,2=C(,2735
1651,1651,n2cc(C,2729
1652,1652,2)C(=O)O,2728
1653,1653,c3occc3,2169
1654,1654,)c4cccc(,2726
1655,1655,(O)C(O)C,2726
1656,1656,cn2,2716
1657,1657,n2nn,2715
1658,1658,c2cc(C,2715
1659,1659,\N=N\,2714
1660,1660,O[C@H](C)C,2714
1661,1661,O)C(=O),2712
1662,1662,Clc1ccc(cc1),2712
1663,1663,c2cccs,2707
1664,1664,(=O)=O,2707
1665,1665,=C(C(=O),2706
1666,1666,)cc3),2706
1667,1667,CCCCN1,2700
1668,1668,c3ccc(OC,2696
1669,1669,CC(CC,2694
1670,1670,CC1(C)C,2689
1671,1671,c1C(=O)N,2684
1672,1672,[C@H](C(=O)N,2682
1673,1673,OC(=O)[C@H](C),2682
1674,1674,[C@@H]([C@@H](C)CC,2679
1675,1675,NC3=O),2679
1676,1676,O[C@H]1C,2676
1677,1677,C(=O)N[C@@H](CCC(=O)N,2670
1678,1678,O[C@@H]3,2669
1679,1679,CN4C(=O),2662
1680,1680,3)C(F)(F)F,2661
1681,1681,NC1=O,2659
1682,1682,CC(=O)N[C@@H](CC,2655
1683,1683,nc3ccccc2,2648
1684,1684,ncn2,2638
1685,1685,)c(CC,2637
1686,1686,2CC3CC,2635
1687,1687,[C@]5(C),2631
1688,1688,c4ccc(Br)cc,2630
1689,1689,(=C(C),2630
1690,1690,ccccc15,2628
1691,1691,COc1c(,2627
1692,1692,c3ccccc3Cl,1759
1693,1693,Fc1cc(,2626
1694,1694,\C(=C\C,2624
1695,1695,CCCCCCCCCC,2617
1696,1696,n4)c5,2611
1697,1697,O)CC,2611
1698,1698,(CC)C,2609
1699,1699,c4ccc(OC)cc,2608
1700,1700,(Cl)c5,2606
1701,1701,[C@H](O)CC,2605
1702,1702,Nc2cc(,2605
1703,1703,Clc1cc,2604
1704,1704,S2,2602
1705,1705,OC)N,2602
1706,1706,O[C@@H]1C,2600
1707,1707,c4ccccc34),2599
1708,1708,C(=O)O)C(=O)O,2597
1709,1709,n1)c3,2596
1710,1710,N4CCCC,2593
1711,1711,ccnc1,2591
1712,1712,SC(=S)N,2591
1713,1713,cc1C,2589
1714,1714,NC1=N,2587
1715,1715,)O,2582
1716,1716,OCC(O),2577
1717,1717,N2CCCCC,2575
1718,1718,Br)c2,2574
1719,1719,cc(O,2572
1720,1720,CN2CCN(CC,2572
1721,1721,=[N+]=[N-],2572
1722,1722,N[C@@H](CC,2571
1723,1723,c2cccc(Cl)c2,2567
1724,1724,[S+]([O-],2564
1725,1725,C(=O)N[C@@H](CC(=O)O),2564
1726,1726,cc(c3,2562
1727,1727,c5ccc(O)cc,2561
1728,1728,3CCCO,2561
1729,1729,2)c3cn,2559
1730,1730,)c6ccccc6,1999
1731,1731,(=CC(=O),2559
1732,1732,c5cn,2558
1733,1733,Nc2nc(,2555
1734,1734,[nH]c2,2551
1735,1735,6=O),2551
1736,1736,\C(=O),2546
1737,1737,cn1),2536
1738,1738,CO[C@H]1,2536
1739,1739,N(C)CC,2535
1740,1740,cc(ccc3,2533
1741,1741,c1sc(,2529
1742,1742,2)c3cccc(,2526
1743,1743,\C),2523
1744,1744,([H],2522
1745,1745,[O-][N+](=O)c1ccc(,2521
1746,1746,N3C(=O),2521
1747,1747,c4ccc5ccccc5,2515
1748,1748,COC(=O)C1,2515
1749,1749,ncc(C,2513
1750,1750,OP(=O)(O)O),2513
1751,1751,NCCN,2509
1752,1752,ncnc23,2508
1753,1753,[P,2505
1754,1754,c2cc1OC,2504
1755,1755,O)c4,2504
1756,1756,NC(=O)c2ccccc2,2504
1757,1757,6CCCC,2501
1758,1758,c1)N,2499
1759,1759,CC(=O)OC,2497
1760,1760,nc3c2,2489
1761,1761,[C@H](O)[C@H](O),2489
1762,1762,c4ccc5OCOc5,2484
1763,1763,3CC4CC(CC(C,2484
1764,1764,(c4ccccc4,2484
1765,1765,[C@]23,2483
1766,1766,cc(Br),2482
1767,1767,CCC2,2478
1768,1768,c6ccc(,2476
1769,1769,[C@H](Cc2ccccc2),2474
1770,1770,c3ccccc3)CC,2472
1771,1771,n(C),2471
1772,1772,[nH]c3,2471
1773,1773,c1cc(C),2470
1774,1774,c3cccc(F)c3,2466
1775,1775,CCCn1,2466
1776,1776,c3ccc(C)cc3,2260
1777,1777,c1ccc2ccccc2,2464
1778,1778,S\C(=C/,2464
1779,1779,CN1C(=O)N(C)c2,2458
1780,1780,C(=O)\C=C\,2455
1781,1781,c23),2454
1782,1782,OCOc6,2454
1783,1783,(C)C)N(C)C(=O),2449
1784,1784,NC(=O)\C(=C\,2445
1785,1785,c4ccccc2,2443
1786,1786,CN2CC,2443
1787,1787,NC(=O)COC(=O),2441
1788,1788,nnc2,2440
1789,1789,cccnc4,1880
1790,1790,c3cccs3,2430
1791,1791,CNS(=O)(=O),2429
1792,1792,)C(C)C,2427
1793,1793,1CCCC,2424
1794,1794,OC1=O,2423
1795,1795,c4[nH],2421
1796,1796,C[C@H](CO),2420
1797,1797,c2[nH],2418
1798,1798,c2ccc(cc1,2416
1799,1799,(CCCCC,2415
1800,1800,coc(,2414
1801,1801,)c(N,2413
1802,1802,P(=O)(O)O,2412
1803,1803,(C)c4,2412
1804,1804,cnc2,2409
1805,1805,c2c[nH]cn,2409
1806,1806,4)C2)C,2408
1807,1807,F)c(F)c(,2405
1808,1808,3)cc2,2392
1809,1809,OP(=O)(O)OC,2386
1810,1810,C[C@H](CC,2386
1811,1811,OC(=O)\C=C\,2383
1812,1812,c2c1)C,2382
1813,1813,O[C@H](C)C[C@@H](,2379
1814,1814,OC(=O)C(F)(F)F.,2379
1815,1815,SS,2378
1816,1816,Br)cc1,2378
1817,1817,=C4,2378
1818,1818,3)C4,2374
1819,1819,(N)C,2373
1820,1820,c(C(=O)N,2371
1821,1821,N(CCCC,2370
1822,1822,\C=C/2,2368
1823,1823,1=CC,2368
1824,1824,3CC3,2367
1825,1825,n1)C(=O)N,2366
1826,1826,cc12,2366
1827,1827,2)NC(=O),2364
1828,1828,)c3c2,2035
1829,1829,n2ccnc2,2360
1830,1830,c1ccc2nc(,2360
1831,1831,c3cc(ccc3,2356
1832,1832,2)O,2354
1833,1833,c1ccc(Cl)c(,2352
1834,1834,c3[nH],2349
1835,1835,c2ccccc2)cc1,2347
1836,1836,c(C)cc,2345
1837,1837,N4CCOCC,2345
1838,1838,CO[C@@H]1,2345
1839,1839,[C@@H]8,2343
1840,1840,F)cc1,1874
1841,1841,N1C(=O)C,2340
1842,1842,[C@](O)(C,2338
1843,1843,CCN3,2332
1844,1844,CCOc1cc(,2330
1845,1845,ccc13,2329
1846,1846,NC(=O)C(C,2328
1847,1847,COc1ccc2C,2328
1848,1848,CCOc1ccc(cc1),2326
1849,1849,Br)c3,2326
1850,1850,c3cc(C,2325
1851,1851,nc1C,2324
1852,1852,(=C2,2324
1853,1853,CCN2,2322
1854,1854,[C@@H]2CCCN2C(=O),2320
1855,1855,3=CC,2319
1856,1856,SCC(=O)NC,2317
1857,1857,cc(c1)c2,2316
1858,1858,[C@H]9,2315
1859,1859,Oc3ccccc3,2314
1860,1860,N4C,2311
1861,1861,COc1ccccc1N2CCN(CC,2309
1862,1862,c2ccc3ccccc3c2,2307
1863,1863,SSC[C@H](,2307
1864,1864,NC(=O)[C@H](CCCCN)NC(=O),2306
1865,1865,[C@H](C)CC,2305
1866,1866,c4c[nH]c5ccccc4,2303
1867,1867,6CCC,2303
1868,1868,CCN(CC)C(=O),2302
1869,1869,2CCN(CC2)S(=O)(=O),2302
1870,1870,nc3C,2299
1871,1871,l),2297
1872,1872,C[C@@H]1C,2296
1873,1873,C(=O)N)NC(=O),2295
1874,1874,S(=O)(=O)CC,2293
1875,1875,cc(ccc1,2291
1876,1876,#N)\,2290
1877,1877,3)c4ccc5,2289
1878,1878,N=C3,2288
1879,1879,5)CC,2288
1880,1880,1CCCCC1),2285
1881,1881,[C@H](C)[C@@H](O),2283
1882,1882,4)C(=O)C,2283
1883,1883,nnnn,2281
1884,1884,ccnc(,2279
1885,1885,(OC),2279
1886,1886,C[n+]1,2278
1887,1887,/C/1=C,2277
1888,1888,OC(CC,2274
1889,1889,c3ccc(cc3)S(=O)(=O)N,2271
1890,1890,C[C@H](NC(=O),2267
1891,1891,c(Cl)cccc,2263
1892,1892,n4cn,2259
1893,1893,c2ccc(Cl)cc2Cl,2257
1894,1894,5CCCCC5,2257
1895,1895,c4ccccc24,2256
1896,1896,c2ccccc2)c3ccccc,2255
1897,1897,2)c3cccc(c3,2255
1898,1898,s1)c2,2254
1899,1899,c2c3,2254
1900,1900,C(=O)N[C@@H](CC(=O)N,2254
1901,1901,%13,2254
1902,1902,c2ccc(F)cc2,1862
1903,1903,CCC2(CC,2252
1904,1904,2CCC[C@H]2,2251
1905,1905,(=C(N,2249
1906,1906,P(=O)(OC,2247
1907,1907,(F)F),2246
1908,1908,c1)C(=O),2242
1909,1909,c1onc(,2241
1910,1910,\C=C(/,2238
1911,1911,3)CC2,2235
1912,1912,3CC3),2234
1913,1913,3=O)C,2232
1914,1914,ccs,2224
1915,1915,NC(=O)C2CC,2222
1916,1916,)C(=O)NCC,2220
1917,1917,n3ccnc3,2218
1918,1918,Cc1cccc2,2218
1919,1919,1CCCN(C,2218
1920,1920,onc(n2)c3,2217
1921,1921,c3cc(OC)c(OC)c(OC,2217
1922,1922,CCN(CC(=O)N,2217
1923,1923,CN(C(=O)C,2216
1924,1924,C(=O)N1C,2215
1925,1925,O1),2213
1926,1926,[C@H](C)[C@@H](O,2212
1927,1927,Fc1ccc(cc1)c2,2212
1928,1928,ccc(N,2211
1929,1929,ccc23,2209
1930,1930,C(=O)NC(C,2209
1931,1931,cc(Cl)c,2208
1932,1932,c8ccccc8,2205
1933,1933,ccnc4,2203
1934,1934,Fc1cccc(,2203
1935,1935,2CCCCC2,2203
1936,1936,c3ccc(Cl)c(Cl)c3,2197
1937,1937,nc(n1),2196
1938,1938,3)C(=O)O,2196
1939,1939,c2cc(ccc1,2194
1940,1940,P(=S),2194
1941,1941,)c3C,2194
1942,1942,c2ccccc12,2190
1943,1943,c2ccccc2C1=O),2188
1944,1944,cc1)c2,2187
1945,1945,c2cc(Cl)ccc2,2187
1946,1946,5)cc,2187
1947,1947,c%11,2186
1948,1948,O[C@H]([C@H](O)[C@@H]1O),2186
1949,1949,CC1=CC,2186
1950,1950,ccccc45,2184
1951,1951,C(=O)C=C(O,2178
1952,1952,[C@@H]2O),2176
1953,1953,CC[C@H]1OC(=O)[C@H](C),2176
1954,1954,[C@]23C,2175
1955,1955,\C=N,2173
1956,1956,c1occc,2169
1957,1957,)C#N),2168
1958,1958,(C)C)c2,2166
1959,1959,cccs4,2165
1960,1960,3=C(C,2165
1961,1961,4Cl,2160
1962,1962,[C@H]1O),2159
1963,1963,CCNS(=O)(=O),2159
1964,1964,c2cccc(c2)c3,2158
1965,1965,cccnc2,2157
1966,1966,cc(Cl)c1,2153
1967,1967,CN(C)S(=O)(=O),2153
1968,1968,c3cc(ccc2,2152
1969,1969,c4cc5OCOc5,2151
1970,1970,COc1ccc(cc1OC)c2,2150
1971,1971,)c(Cl)cc,2149
1972,1972,(=O)OC,2149
1973,1973,[C@@H](O)[C@@H](O),2148
1974,1974,cc([nH],2147
1975,1975,CCN(C),2147
1976,1976,3CC4CC(CC(C4)C2)C,2145
1977,1977,OC2=O),2144
1978,1978,NCC(O),2144
1979,1979,2)\,2144
1980,1980,c5c[nH],2140
1981,1981,)n1,2138
1982,1982,NC(=O)c1cc(,2137
1983,1983,N4CCN(CC,2136
1984,1984,e],2131
1985,1985,OCC(=O)NC,2127
1986,1986,N1C[C@H](C),2127
1987,1987,CCC[C@H]1,2127
1988,1988,[C@H]3[C@@H](CC,2126
1989,1989,CC(C)N1,2125
1990,1990,CC[C@@]1,2122
1991,1991,NC(=O)c2cn,2119
1992,1992,N(C(C,2118
1993,1993,Clc1ccc(cc1)c2,2113
1994,1994,[C@@H](OC,2111
1995,1995,3CCC[C@H]3,2109
1996,1996,NC(=O)[C@H](Cc2ccc(O)cc2),2108
1997,1997,C(=O)N[C@H](C,2108
1998,1998,CC(C)[C@H](NC(=O),2107
1999,1999,CC(C)(C,2106
2000,2000,c3c(F)cc,2103
2001,2001,ncccc3,2102
2002,2002,Cc1n,2101
2003,2003,N4CCCCC,2098
2004,2004,Cc1cc(C)c(,2098
2005,2005,c5ccccc3,2094
2006,2006,4)C#N,2093
2007,2007,c4ccccc4)c5,2092
2008,2008,cnc(N,2088
2009,2009,c1OC,2087
2010,2010,ccncc4,2085
2011,2011,NC(=O)c2ccc(,2081
2012,2012,c2ccc(Cl)c(Cl)c,2079
2013,2013,\N=C(/C,2077
2014,2014,c3cc(Cl)ccc3,2076
2015,2015,5C(=O),2075
2016,2016,N)N,2074
2017,2017,c2oc(cc,2072
2018,2018,O)cc3,2072
2019,2019,6CCCCC,2072
2020,2020,n4C,2071
2021,2021,c4cccs,2071
2022,2022,nc(CC,2070
2023,2023,3CCN(CC3)C(=O),2070
2024,2024,c2ccc(Cl)c,2069
2025,2025,(NC(=O)C,2067
2026,2026,SC1,2065
2027,2027,CCNC(=O)N,2065
2028,2028,NC(=O)OC(C)(C)C,2064
2029,2029,N4CC,2064
2030,2030,[C@](C)(O),2062
2031,2031,CC(O,2060
2032,2032,ncccc4,2057
2033,2033,)c4),2056
2034,2034,8C,2053
2035,2035,(S,2053
2036,2036,1CCOCC,2048
2037,2037,c(C)c(C,2046
2038,2038,OC(=O)C1,2046
2039,2039,)C(F)(F)F)c4,2044
2040,2040,CCc1ccc(,2043
2041,2041,c%3,2041
2042,2042,4)C(=O)O,2041
2043,2043,(=S)NC(=O),2041
2044,2044,[C@H]3O,2040
2045,2045,NC(=O)c1cn,2040
2046,2046,CN(CCO,2040
2047,2047,Cc1cccc(C)c1,2039
2048,2048,(O)(CC,2034
2049,2049,[C@](C)(C,2033
2050,2050,F)cc3,2032
2051,2051,OCC(=O)O),2026
2052,2052,c3ccccc3)c(,2023
2053,2053,ncc4,2020
2054,2054,[C@]12C),2020
2055,2055,c24,2019
2056,2056,c3cccc4ccccc3,2016
2057,2057,ccc(OC)cc,2013
2058,2058,O[C@@H]4,2011
2059,2059,C[C@H]1C,2011
2060,2060,O[C@@H](C),2010
2061,2061,Fc1ccc2,2010
2062,2062,O=C(NCC,2009
2063,2063,CN(C)c1ccc(,2009
2064,2064,CN1CCN(C,2007
2065,2065,c3ccc(cc3)c4,2006
2066,2066,c2oc(nn,2003
2067,2067,\C=C\3/,2002
2068,2068,c2c1),2001
2069,2069,[nH]4,2000
2070,2070,NS(=O)(=O)c1ccc(,2000
2071,2071,c1ccc(cc1)C2=N,1996
2072,2072,nc(n2),1992
2073,2073,(O)C(=O),1992
2074,2074,Nc1cc(,1990
2075,2075,CC[C@H](C)[C@@H]1,1990
2076,2076,(N1,1990
2077,2077,ccc7,1986
2078,2078,C(=O)N[C@@H](Cc2ccccc2),1984
2079,2079,c2ncn,1983
2080,2080,CC(=CCC,1982
2081,2081,c1ccc2CC,1979
2082,2082,COP(=O)(O)O[C@H],1979
2083,2083,c3c([nH],1977
2084,2084,c2oc(,1976
2085,2085,[C@H](OC),1976
2086,2086,COc1ccc(CC,1976
2087,2087,Cc1cccc(C,1975
2088,2088,8),1974
2089,2089,(CC=C,1973
2090,2090,\N=C\2/,1971
2091,2091,FC(F)(F)C,1971
2092,2092,Clc1cccc(,1971
2093,2093,5CCCC5,1971
2094,2094,)c9,1970
2095,2095,(NC,1970
2096,2096,c4nc5ccccc5,1968
2097,2097,Oc1c(,1968
2098,2098,[nH]1,1966
2099,2099,NC(=O)CSC,1965
2100,2100,[C@H]5CC,1964
2101,2101,C[C@@H](CO),1963
2102,2102,1)c2ccccc2,1963
2103,2103,c4),1962
2104,2104,)C(F)(F)F)C(F)(F)F,1962
2105,2105,c4s,1959
2106,2106,NC(=O)c2cc3,1957
2107,2107,n2)c1,1955
2108,2108,cccs3,1954
2109,2109,c(nn,1953
2110,2110,[C@H](CC(=O)N,1953
2111,2111,[C@@]23,1953
2112,2112,ccc(Cl)c(Cl)c,1952
2113,2113,Cc1ccc(C)c(,1952
2114,2114,CCn1c(,1951
2115,2115,3CCOCC3),1950
2116,2116,O)C(=O)N,1947
2117,2117,cc(Cl)ccc2,1946
2118,2118,NC(=O)C=C,1946
2119,2119,(CC(=O)NC,1946
2120,2120,ccc4C,1943
2121,2121,cc(cn1)c2,1942
2122,2122,N2CCN(CC2)c3,1942
2123,2123,c14,1941
2124,2124,Cc1onc(C),1941
2125,2125,OC(C)C,1940
2126,2126,CC(C)C[C@@H]1,1939
2127,2127,c(C)c,1937
2128,2128,P(=O)(OCC,1937
2129,2129,C[C@H](C,1937
2130,2130,(C)(C)[C@@H]5CC[C@@]34C),1935
2131,2131,F)c2),1934
2132,2132,(=CC(=O)O,1934
2133,2133,c1csc(,1933
2134,2134,N(C)S(=O)(=O),1932
2135,2135,c2cc(O),1931
2136,2136,c1ccccc1)C(=O),1931
2137,2137,S1(=O)=O),1931
2138,2138,7)C,1930
2139,2139,c3ccccn3,1929
2140,2140,(C)C(=O)N,1927
2141,2141,C(F)(F)F),1922
2142,2142,C(N,1921
2143,2143,cc(C(=O),1920
2144,2144,ccnc(N,1913
2145,2145,c1ccc(cc1Cl,1910
2146,2146,[C@H](Cc3ccccc3),1908
2147,2147,nc(Cl),1905
2148,2148,c2ccc(cc2)c3ccccc3,1904
2149,2149,c4occc4,1540
2150,2150,[C@H](CC(C)C),1899
2151,2151,N[C@H](C,1898
2152,2152,3=,1897
2153,2153,CCCS,1896
2154,2154,3)C#N,1896
2155,2155,c(C)c1,1894
2156,2156,[C@@]7,1894
2157,2157,\C(=C/1,1893
2158,2158,\N=C\1/,1887
2159,2159,([H]),1885
2160,2160,c3c4,1884
2161,2161,=CC=CC,1883
2162,2162,COCCN1,1880
2163,2163,nc(C(=O)N,1879
2164,2164,c1ccc(C)cc1,1879
2165,2165,[C@@H]3O[C@H](C,1879
2166,2166,\C(=N/O)\,1877
2167,2167,1)\,1877
2168,2168,[nH]nc(,1876
2169,2169,Oc5,1874
2170,2170,4)cc3,1874
2171,2171,23,1874
2172,2172,c(C)c(,1873
2173,2173,c4cc(O),1872
2174,2174,CCS(=O)(=O)N,1872
2175,2175,\C(=C\CC,1871
2176,2176,OC)C(=O),1871
2177,2177,)C(=O)N[C@@H](CC(=O)N,1870
2178,2178,c4ccccc14,1868
2179,2179,ccc(F)cc5,1867
2180,2180,[C@@H]3CCCN3C(=O),1867
2181,2181,c1ncccc1,1866
2182,2182,cc(OC),1865
2183,2183,(c3ccccc3)c4ccccc4,1865
2184,2184,c3ccccc3)c2,1864
2185,2185,C(=O)N1CC,1864
2186,2186,n3cncn,1863
2187,2187,c(O)c(,1863
2188,2188,)C(F)(F)F)c2,1863
2189,2189,(Cl)ccc1,1863
2190,2190,nc13,1859
2191,2191,2CCCO,1859
2192,2192,c3ccccc3C(=O),1857
2193,2193,c2ccccc2)C(=O),1854
2194,2194,[C@H](CCCCN,1851
2195,2195,c4cc3,1850
2196,2196,)c4cccc,1850
2197,2197,)C(C)(C),1850
2198,2198,CCCC(C),1847
2199,2199,c1ccccc1CC,1846
2200,2200,nnn[nH],1845
2201,2201,cc1OC,1844
2202,2202,cc[nH],1843
2203,2203,[C@@]34C,1843
2204,2204,c2ccccc12)C(=O)N,1841
2205,2205,)c4ccc(Cl)cc,1841
2206,2206,c3ccccc3)C(=O),1839
2207,2207,CCC(CC1)c2,1839
2208,2208,5(CC,1839
2209,2209,[C@@H]1CC[C@H](CC,1838
2210,2210,=CC(=,1836
2211,2211,[C@H]2[C@@H]3,1835
2212,2212,[C@@]1(C),1835
2213,2213,COc1ccc(NC(=O),1834
2214,2214,c3cc(O),1833
2215,2215,c6ccccc6),1832
2216,2216,c2nc(cs,1830
2217,2217,c2cccs2),1830
2218,2218,S(=O)(=O)NC,1830
2219,2219,O=C(NC1,1828
2220,2220,3)[N+](=O)[O-],1828
2221,2221,.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F,1828
2222,2222,CC[C@@H](C),1827
2223,2223,c3ccc(N,1826
2224,2224,CCOCC,1826
2225,2225,O)[C@H](O)[C@H](O),1823
2226,2226,2)c4ccccc4,1823
2227,2227,COCCO,1822
2228,2228,N=N,1821
2229,2229,CC3,1821
2230,2230,nc(NCC,1819
2231,2231,NC(=O)[C@@H](N)CC,1819
2232,2232,5)c(,1819
2233,2233,B(O),1818
2234,2234,cncc,1817
2235,2235,Oc1ccc(C,1817
2236,2236,O3,1816
2237,2237,NC(=O)C2=C,1816
2238,2238,COc1ccc(cc1)C(=O)N,1814
2239,2239,c1ccc2c(c1),1813
2240,2240,2C(C,1813
2241,2241,CC(C)(C)OC(=O)N,1812
2242,2242,\C(=N\O)\,1811
2243,2243,Oc1ccc(cc1)c2,1811
2244,2244,nc(NC(=O),1810
2245,2245,c2C1=O),1808
2246,2246,F)ccc1,1804
2247,2247,CCN1CCN(CC,1804
2248,2248,4)C2=O,1803
2249,2249,CCCCCCCCC,1802
2250,2250,c2ccc(F)c(,1801
2251,2251,(C)C)C(=O)O,1800
2252,2252,3)O,1798
2253,2253,2)N3C,1797
2254,2254,2=NC,1794
2255,2255,N(C1=O),1793
2256,2256,)c4ccc(F)cc,1793
2257,2257,c3ccccc3)cc1,1792
2258,2258,CCCN(CCC,1792
2259,2259,c2cccc(c2)S(=O)(=O)N,1790
2260,2260,ccccc13,1788
2261,2261,n4)C,1787
2262,2262,5CCNCC,1786
2263,2263,c6ccc(cc,1785
2264,2264,O[C@H]3,1785
2265,2265,CN1CCC(CC1),1784
2266,2266,CC(C)[C@H](,1784
2267,2267,3CCCCCC,1781
2268,2268,cc(o,1780
2269,2269,c3cccc(C,1777
2270,2270,CCN(C(=O),1777
2271,2271,CC1(CC,1775
2272,2272,COc1n,1774
2273,2273,c3cccc(C)c3,1773
2274,2274,c2ccc(cc2C,1773
2275,2275,CNc1nc(,1773
2276,2276,)C1=O),1773
2277,2277,(F)F,1771
2278,2278,n5),1770
2279,2279,N)\,1770
2280,2280,2)c3ccc(Cl)cc3,1769
2281,2281,c1ccc(Cl)c,1763
2282,2282,[C@@]34,1763
2283,2283,Oc2ccccc2,1762
2284,2284,)cc12,1761
2285,2285,cc(Cl)ccc4,1758
2286,2286,NC(=O)[C@H](Cc3ccccc3),1755
2287,2287,4)c,1755
2288,2288,CC(C)(O),1750
2289,2289,4CC5CC(CC(C,1749
2290,2290,c3cs,1746
2291,2291,COc1ccc(Cl)cc1,1745
2292,2292,1=CN(C,1745
2293,2293,)ccc1,1744
2294,2294,nc([nH],1742
2295,2295,1)C(=O)O,1741
2296,2296,[C@@](O)(C,1740
2297,2297,)c(c2,1740
2298,2298,NC(=O)C)C,1739
2299,2299,c3ccccc3c2,1737
2300,2300,c5ccncc,1736
2301,2301,CC1=CN(,1736
2302,2302,3(CC2),1736
2303,2303,c4cccc(F)c4,1735
2304,2304,[C@]3(C)CC,1735
2305,2305,N1C[C@@H](C),1734
2306,2306,Oc1ccc(cc1),1730
2307,2307,1CCN(CC1)C(=O),1730
2308,2308,n23,1729
2309,2309,ccc(Cl)cc3,1729
2310,2310,COC(=O)N1,1728
2311,2311,CCCC(C,1727
2312,2312,c3ccccn3),1726
2313,2313,Cn1cc(,1726
2314,2314,[N+](=O)[O-])cc1,1725
2315,2315,N=C(S)N,1723
2316,2316,\C=C\C=C\,1722
2317,2317,2)C(=O)NC1=O,1720
2318,2318,NC(=O)c3cc(,1719
2319,2319,[C@@]4(C)CC,1718
2320,2320,CCOC,1718
2321,2321,c1C#N,1717
2322,2322,CN(CCC,1717
2323,2323,4CC5CC(CC(C5)C,1717
2324,2324,S2(=O)=O),1716
2325,2325,Oc2cc(,1714
2326,2326,1=,1712
2327,2327,c1ccccc1)c2ccccc,1711
2328,2328,CC(NC(=O),1709
2329,2329,[C@@H](O)[C@@H](O[C@@H],1708
2330,2330,c2ccc3OCCO,1707
2331,2331,(=O)N(C,1707
2332,2332,ccccc23,1706
2333,2333,C(=O)NCCC,1705
2334,2334,OCC=C,1703
2335,2335,)C(=O)N[C@@H](C),1703
2336,2336,c(Cl)cc(Cl)cc,1702
2337,2337,)c23,1701
2338,2338,2(C,1696
2339,2339,OS(=O)(=O)O),1695
2340,2340,NC(=O)NCC,1694
2341,2341,C(=O)N2CC,1692
2342,2342,c4cc(Cl),1691
2343,2343,)C(=O)N[C@@H](CO),1690
2344,2344,c1ccc(N,1689
2345,2345,[C@@]3(C,1688
2346,2346,C(=O)N[C@@H](C(C)C)C(=O)N,1688
2347,2347,4CCC(CC,1688
2348,2348,3CCNCC,1688
2349,2349,(Cc2ccccc2),1688
2350,2350,n2)C(=O)N,1687
2351,2351,c5ccc(cc5,1687
2352,2352,c5cccc(c5,1686
2353,2353,c3c[nH]c4ccccc34),1685
2354,2354,OC(=O)[C@H](C,1684
2355,2355,3=C(,1683
2356,2356,Cc1cccc(c1,1682
2357,2357,5=O,1682
2358,2358,2)[N+](=O)[O-],1682
2359,2359,c1cccc2ccccc1,1679
2360,2360,2CC(=N,1678
2361,2361,c3ccccc3C2=O,1677
2362,2362,CCS(=O)(=O),1676
2363,2363,O[C@H]4,1674
2364,2364,=C1),1674
2365,2365,cc(Cl)cc,1673
2366,2366,CN3C,1673
2367,2367,[C@@H](CCC,1672
2368,2368,c3cccs3),1671
2369,2369,c2ccc(NC(=O)C,1671
2370,2370,c3occc3),1670
2371,2371,c%12,1669
2372,2372,4)CC2,1668
2373,2373,cnc3,1667
2374,2374,)C(C)(C)C,1667
2375,2375,nc2ccccc1,1666
2376,2376,)c2C1=O,1665
2377,2377,c3c(F)cccc3,1664
2378,2378,nn(C,1662
2379,2379,Cc1c(C,1661
2380,2380,c2ccc(C)cc2,1538
2381,2381,3CCN(CC3)c4,1660
2382,2382,CC(=C),1659
2383,2383,c2c(C1),1654
2384,2384,ccc(cc3,1653
2385,2385,Cc1ccc(cc1)S(=O)(=O),1653
2386,2386,c3ccc4ccccc4c3,1652
2387,2387,CCC4,1650
2388,2388,CN2CCC,1649
2389,2389,1CCC[C@H]1,1649
2390,2390,cc(OC)c(OC,1648
2391,2391,CCN(CC)C,1648
2392,2392,c2cccs2,1647
2393,2393,c2ccccc2)c(,1646
2394,2394,[C@@H]4CCCN4C(=O),1646
2395,2395,[C@@H](CO,1646
2396,2396,4)CC1,1646
2397,2397,cn1)c2,1645
2398,2398,c3ccc(O,1645
2399,2399,OC[C@H]1O[C@H](,1644
2400,2400,c4ccccc4c3,1642
2401,2401,c1cc(cc(c1,1642
2402,2402,C(=O)N(C)C,1640
2403,2403,c1nn(,1639
2404,2404,=C(C(=O)NC,1638
2405,2405,O)c(OC,1637
2406,2406,CCOC(=O)C1=C(C),1637
2407,2407,c3ncc(,1634
2408,2408,c3ccc(cc3)C(=O)N,1633
2409,2409,c1oc(C,1632
2410,2410,N)c3,1631
2411,2411,2)n1,1631
2412,2412,c(O,1630
2413,2413,[C@H](CCCNC(=N)N),1630
2414,2414,3)c4ccc(Cl)cc4,1630
2415,2415,CN(C(=O)O,1629
2416,2416,CC1=C(,1626
2417,2417,c6ccc(O)cc,1624
2418,2418,CCOc1ccc(C,1624
2419,2419,I),1623
2420,2420,c3C(=O),1622
2421,2421,c2c1)N,1622
2422,2422,nc(nc3,1620
2423,2423,NC(=O)CCC,1620
2424,2424,9C,1620
2425,2425,NC(=O)O,1619
2426,2426,CC[C@H](C)[C@H](NC(=O),1619
2427,2427,[C@H](NC(=O)[C@H](Cc1ccccc1),1618
2428,2428,c3ccc(F)c(,1617
2429,2429,\N=C(\,1617
2430,2430,3CCC(C,1616
2431,2431,F)ccc2,1615
2432,2432,C[C@]12CC[C@H]3[C@@H](CC,1615
2433,2433,4)c5cccc,1615
2434,2434,CCCCN1C(=O),1614
2435,2435,CCc1cc(,1614
2436,2436,c1c[nH]cn1),1613
2437,2437,1CCN(CC1)c2,1613
2438,2438,cn[nH],1610
2439,2439,CC(=O)N1CC,1610
2440,2440,n1)C2,1609
2441,2441,CCCO,1609
2442,2442,c1ccc(NC(=O)N,1608
2443,2443,cc3C,1607
2444,2444,c3ccc(NC(=O),1604
2445,2445,(C)(C)O,1604
2446,2446,4)cc2,1602
2447,2447,(F)(F)C(F)(F)C,1602
2448,2448,[C@H](N(C,1600
2449,2449,CN=C(,1599
2450,2450,C(CC,1599
2451,2451,5)c1,1598
2452,2452,c1ccc2OCO,1597
2453,2453,[C@H]2O,1597
2454,2454,C=,1597
2455,2455,c2ccc(Cl)c(,1596
2456,2456,CC1CCN(CC,1596
2457,2457,4CCOCC4),1595
2458,2458,n2cc(,1594
2459,2459,5)c3,1594
2460,2460,2)c5,1594
2461,2461,[n+](CC,1593
2462,2462,NC(=O)c2ccc3,1589
2463,2463,CC1(C)CCC,1589
2464,2464,ccc(Br)cc,1587
2465,2465,S(=O)(=O)O),1585
2466,2466,n2ccc3,1584
2467,2467,Cc1cc(ccc1,1584
2468,2468,N(C)C(=O)C,1583
2469,2469,CC1=O,1583
2470,2470,3(C,1583
2471,2471,1)O,1583
2472,2472,5CCN(C)CC,1582
2473,2473,(CC2=O),1582
2474,2474,nc(nc1,1581
2475,2475,c2c([nH],1581
2476,2476,c12)c3,1581
2477,2477,2CO,1581
2478,2478,OC(CO)C,1580
2479,2479,(OC(=O),1580
2480,2480,c4c(C),1579
2481,2481,Br)cc(,1579
2482,2482,[C@]6(C),1578
2483,2483,Nc2nc(N,1575
2484,2484,)C4,1575
2485,2485,c3ccc(O)cc3,1573
2486,2486,NC1=,1573
2487,2487,c2ccc3C,1572
2488,2488,(C)C)c3,1572
2489,2489,ccc2Cl,1571
2490,2490,O=C1N,1571
2491,2491,3)c4ccc(F)cc4,1571
2492,2492,(C)(C)O),1571
2493,2493,CC[C@@H]1,1570
2494,2494,c4c(O),1569
2495,2495,c12)C,1569
2496,2496,C(=O)O.,1569
2497,2497,[C@H](O[C@H],1568
2498,2498,OCCOCCOCCOCC,1568
2499,2499,)cc2C,1568
2500,2500,c4ccc(O)cc4),1566
2501,2501,ccc(F)cc3,1565
2502,2502,4)c5ccc(cc,1565
2503,2503,[C@@](C)(O),1564
2504,2504,c3ccncc3,1563
2505,2505,[C@](C)(O)C,1562
2506,2506,O=C(CS,1561
2507,2507,c2cc(OC)c(OC)c(OC,1560
2508,2508,c4c5,1558
2509,2509,onc2,1556
2510,2510,3)CC1,1556
2511,2511,CCCCCCCCCCCCCC,1555
2512,2512,(NC(=O)N,1555
2513,2513,sc2c1,1554
2514,2514,\C1=O,1553
2515,2515,COc1cc(OC)cc(c1,1553
2516,2516,[1,1552
2517,2517,OC(=O)c1cc(,1552
2518,2518,)C2=O)cc1,1551
2519,2519,)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC,1551
2520,2520,(N(C,1551
2521,2521,OC4,1550
2522,2522,c4c(C,1549
2523,2523,nnc3,1548
2524,2524,[Se],1548
2525,2525,P(=O)(S),1548
2526,2526,)cc1O,1548
2527,2527,ncnc2,1547
2528,2528,nn4,1546
2529,2529,C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N),1545
2530,2530,ccncc3,1544
2531,2531,c4ccc(Cl)cc4),1544
2532,2532,[C@H](NC,1544
2533,2533,Oc1ccc(cc1,1544
2534,2534,CCN(C1)c2,1543
2535,2535,2C(=O)N,1543
2536,2536,c1)[N+](=O)[O-],1542
2537,2537,N1CCCC,1540
2538,2538,OC(=O)C(=C,1539
2539,2539,CC1CN(CC,1538
2540,2540,OC(=CC(=O),1537
2541,2541,O=C1CC,1537
2542,2542,c2)C(=O)N,1536
2543,2543,3)C2,1536
2544,2544,\C=C/C\C=C/C,1535
2545,2545,CC1)c2,1535
2546,2546,occc3,1534
2547,2547,NC1=O)C,1533
2548,2548,c3ccc(OC)c(OC,1531
2549,2549,[C@H](OC(=O)C,1531
2550,2550,=C(C)C),1530
2551,2551,c4cc(C),1529
2552,2552,)C(=O)N[C@@H](CCC(=O)O),1529
2553,2553,Cl)CCC,1528
2554,2554,ccc(Cl)c,1527
2555,2555,Nc2nccc(,1526
2556,2556,(Cl)c2),1526
2557,2557,4CCCO,1525
2558,2558,nc3c(,1524
2559,2559,c3ccnc4,1524
2560,2560,c2c(F)cc,1524
2561,2561,2CCC(C,1523
2562,2562,c2cs,1522
2563,2563,NC(=O)CCCC,1521
2564,2564,(O)CO,1521
2565,2565,%14,1521
2566,2566,CCc1ccccc1,1520
2567,2567,OC(=O)c1ccccc1,1519
2568,2568,1=C(O),1519
2569,2569,O[C@@H]5,1518
2570,2570,nc(nc2,1516
2571,2571,S(=O)(=O)C),1516
2572,2572,N4CCC,1516
2573,2573,4CCCCC4),1516
2574,2574,5)C#N,1515
2575,2575,)N(C,1513
2576,2576,NC(=O)[C@H](CCC(=O)N)NC(=O),1509
2577,2577,[C@]2(C,1508
2578,2578,c(Cl)c(,1507
2579,2579,c4ccc(F)cc4),1505
2580,2580,)N2C,1505
2581,2581,C(=O)NCCCC,1504
2582,2582,NC(=N)NCCC,1503
2583,2583,2=C1C,1503
2584,2584,ccc(Cl)cc5,1502
2585,2585,)c(O)c1,1501