1C(#N)c1cc(c([nH]c1=O)C)c1ccncc1	4197
2C(=O)(NO)N	3657
3C(C(COC(=O)N)(CCC)C)OC(=O)NC(C)C	2576
4C(C(NC(=O)C(CC(C)C)C(C(=O)NO)O)C(=O)NC)(C)(C)C	119031
5C(CCNC(=O)C)S(=O)(=O)O	71158
6C(COC(=O)N)(COC(=O)N)(CCC)C	4064
7C(C[N+](C)(C)C)OC(=O)N	2551
8C(N(CC(=O)NCCOC)CC(=O)[O-])CN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-]	60805
9C([N+](C)(C)C)C(OC(=O)N)C	2370
10C1(=O)C(C(=O)NC(=O)N1)(CC)C(C)CCC	4737
11C1(C(=O)NC(=O)NC1=O)(CC=C)C(CCC)C	5193
12C1(C(C(NC(=N1)S)=O)(C(CCC)C)CC)=O	1244
13C1(C(C(NC(=N1)S)=O)(C(CCC)C)CC=C)=O	5436
14C1(C(C(NC(N1C)=O)=O)(C(C#CCC)C)CC=C)=O	9034
15C1(C(CC(N1)=O)(CC)C)=O	3291
16C1(CCCCC1)NC(=O)N(CCCl)N=O	3950
17C1C2C(C3C(C4C(CC3)(C(CC4)C(=O)NC(C)(C)C)C)C1)(C=CC(N2)=O)C	57363
18C1CCCC(C1)(OC(=O)N)C#C	3284
19CC(=O)NCC1CN(C(=O)O1)c1ccc(c(c1)F)N1CCOCC1	441401
20CC(=O)NO	1990
21CC(=O)Nc1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I	2140
22CC(=O)Nc1ccc(cc1)O	1983
23CC(=O)Oc1ccccc1C(=O)NC1N=CC(=[S]1)[N+](=O)[O-]	41684
24CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	1989
25CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(Cc1ccccc1)NC(=O)C(CC(=O)N)NC(=O)c1ccc2ccccc2n1)O	60787
26CC(C)(C)NC(=O)C1CN(CCN1CC(CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)O)Cc1cccnc1	60944
27CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]	3397
28CC(C)C1CCC(CC1)C(=O)NC(Cc1ccccc1)C(=O)O	60026
29CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C	2481
30CC(CN1CCCCC1)c1ccccc1NC(=O)c1ccc(cc1)OC	48033
31CC(c1cc2ccccc2s1)N(C(=O)N)O	60490
32CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	2581
33CC1(C(=O)N(C(=O)N1)c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C	4493
34CC12CCC3C(C1CCC2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F)CCC1C3(C=CC(=O)N1)C	152945
35CC12CCN(C1N(C1=C2CC(=CC1)OC(=O)NC)C)C	4811
36CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c1ccccc1)NC(=O)OC(C)(C)C)O)O)OC(=O)c1ccccc1)(CO4)OC(=O)C)O)C)O	148124
37CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c1ccccc1)NC(=O)c1ccccc1)O)O)OC(=O)c1ccccc1)(CO4)OC(=O)C)O)C)OC(=O)C	36314
38CC1=C[N+](=C(=O)NC1=O)C1C=CC(O1)CO	18283
39CC1=C[N+](=C(=O)NC1=O)C1CC(C(O1)CO)N=[N+]=[N-]	5726
40CCC(=O)NCCC1CCC2=C1C1C(=CC2)OCC1	208902
41CCC(C)C1C(CCC2(O1)CC1CC(O2)CC=C(C(C(C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)O1)O)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC(=O)CCC(=O)NCCCCN(CC)c1ccc2c(c1)c(=O)[nH][nH]c2=O)OC)OC)C)C	195353
42CCC1(C(=O)N(C(=O)N1)C)c1ccccc1	4060
43CCC1(C(=O)NC(=O)N(C1=O)C)c1ccccc1	8271
44CCC1(C(=O)NC(=O)NC1=O)c1ccccc1	4763
45CCC1(C(=O)NCNC1=O)c1ccccc1	4909
46CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c1cc2c(cc1OC)N(C1C32CCN2C3C(C=CC2)(C(C1(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O	13342
47CCC1=C(CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCC(CC1)C)C	3476
48CCCCC(=O)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(C(C)C)C(=O)O	60846
49CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1	3749
50CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O	4599
51CCCCCOC(=O)Nc1c(c[n+](c(=O)[nH]1)C1C(C(C(O1)C)O)O)F	60953
52CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C2CC(CN2C(=O)C(NC1=O)C(C)O)O)C(C(c1ccc(cc1)O)O)O)C(C)O)C)O)O)O	166548
53CCCCOc1cc(c2ccccc2n1)C(=O)NCCN(CC)CC	3025
54CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl	3961
55CCCN1CC(CC2C1Cc1c[nH]c3c1C2C=CC3)CSC	47811
56CCCN1CCCCC1C(=O)Nc1c(cccc1C)C	71273
57CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OC	2082
58CCC[N+]1=c2c(=C(=O)NC1=O)[nH]cn2	1676
59CCCc1cc(=O)nc([nH]1)S	4950
60CCCc1nc(c2n1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CC)C	110634
61CCN(CC)C(=O)NC1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C	28864
62CCN1C(=O)C(NC1=O)c1ccccc1	3292
63CCN1CCN(C(=O)C1=O)C(=O)NC(c1ccccc1)C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-]	4834
64CCNC(=O)CCC\C=C\CC1C(CC(C1\C=C\C(CCc1ccccc1)O)O)O	5311027
65CCOC(=O)Nc1ccc2c(c1)N(c1ccccc1S2)C(=O)CCN1CCOCC1	34633
66CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c1ccccc1N1CCCCC1	65981
67CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	8982
68CCc1cccc2c1[nH]c1c2CCOC1(CC)CC(=O)O	3308
69CN(C)CCOc1ccc(cc1)CNC(=O)c1cc(c(c(c1)OC)OC)OC	5577
70CN(C)CCc1c[nH]c2c1cc(cc2)CC1COC(=O)N1	5731
71CN(C)\N=N\c1c([nH]cn1)C(=O)N	2942
72CN1CCN(C(C1)c1ccc(cn1)Cl)C(=O)OC1c2c(nccn2)C(=O)N1	157051
73CNC(=O)c1cc(ccn1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl	216239
74COCCOCC(CC1(CCCC1)C(=O)NC1CCC(CC1)C(=O)O)C(=O)Oc1ccc2c(c1)CCC2	60760
75COc1cc(cc(c1OC)OC)C(=O)OC1CC2CN3CCc4c5ccccc5[nH]c4C3CC2C(C1OC)C(=O)OC	8550
76COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl	3488
77COc1ccc2c(c1)[nH]c1c2CCN2C1CC1C(C(C(CC1C2)OC(=O)c1cc(c(c(c1)OC)OC)OC)OC)C(=O)OC	5770
78COc1ccccc1OCC(COC(=O)N)O	4107
79Cn1c(nnn1)SCC1=C(N2C(=O)C(C2SC1)(NC(=O)CSCC#N)OC)C(=O)O	42008
80Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc1ccc(cc1)CC1C(=O)NC(=O)S1)C	5591
81Cc1c[nH]nc1	3406
82Cc1cc(=O)c(c[nH]1)C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C	107654
83Cc1cc(cc(c1)OCC1CNC(=O)O1)C	15459
84Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1	3475
85Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1	5503
86Cc1ccc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	34470
87Cc1ccc[n+]2c1[nH]cc(c2=O)c1n[nH]nn1	57697
88Cc1cccc(c1NC(=O)C1CCCCN1C)C	4062
89Cc1ccnc2c1[nH]c(=O)c1cccnc1n2C1CC1	4463
90Clc1c(cccc1)C[N+](CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1c(cccc1)Cl)(CC)CC	2131
91N(C(=O)NCCCl)(CCCl)N=O	2578
92N1(C(=O)CCC1)C(C(=O)N)CC	441341
93O(C)c1cc2c([nH]cc2CCNC(=O)C)cc1	896
94O(CC(O)CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C)c1c(cccc1)OC	56959
95O1C(C(C(C(C1O)NC(=O)N(N=O)C)O)O)CO	29327
96O1C(C(C(C(C1SC)O)O)O)C(NC(=O)C1N(CC(C1)CCC)C)C(Cl)C	29029
97O=C1N(C(=O)C(C(=O)N1)(CC)CC)C	4099
98O=C1NC(=O)C(C(=O)N1)(C(CC)C)CC	2479
99O=C1NC(=O)CN(C1)CC(C)N1CC(=O)NC(=O)C1	71384
100O=C1NCC(C(=O)C1(CC)CC)C	4162
101c1c(c(=O)[nH]c(=O)[nH]1)F	3385
102c1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl	6194
103c1c(c(=O)[nH]c(=O)n1C1CC(C(O1)CO)O)C(F)(F)F	6256
104c1c(c(=O)[nH]c(=O)n1C1CC(C(O1)CO)O)F	5790
105c1c(c(=O)[nH]c(=O)n1C1CC(C(O1)CO)O)I	3687
106c1cc(c(c(c1)C)NC(=O)C1CCCCN1CCCC)C	2474
107c1cc(c(c(c1)C)NC(=O)C1CCCCN1CCCC)C	92253
108c1cc(c(c(c1)C)NC(=O)CN(CC)CC)C	3676
109c1cc(c(c(c1)Cl)Cl)N1CCN(CC1)CCCCOc1ccc2c(c1)NC(=O)CC2	60795
110c1cc(c(c(c1OC)C(=O)NCC1CCCN1CC)OC)Br	54477
111c1cc(c2c(c1)NC(=O)C2)CCN(CCC)CCC	5095
112c1cc(ccc1C#N)C(c1ccc(cc1)C#N)n1cncn1	3902
113c1cc(ccc1C(=O)NCCN1CCOCC1)Cl	4235
114c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	298
115c1cc2c(cc1Cl)C(OC(=O)N2)(C#CC1CC1)C(F)(F)F	64139
116c1cc2c(cc1Cl)[nH]c(=O)o2	2733
117c1cc2c(cc1OCCCCC1N=NN=[N+]1C1CCCCC1)CCC(=O)N2	2754
118c1ccc(c(c1)C1=NC(C(=O)Nc2c1cc(cc2)Cl)O)Cl	3958
119c1ccc(c(c1)C1=NCC(=O)Nc2c1cc(cc2)[N+](=O)[O-])Cl	2802
120c1ccc(cc1)C(=O)NC(Cc1ccc(cc1)O)C(=O)Nc1ccc(cc1)C(=O)O	2329
121c1ccc(cc1)C(COC(=O)N)COC(=O)N	3331
122c1ccc(cc1)C(c1ccccc1)(C1CCN(C1)CCc1ccc2c(c1)CCO2)C(=O)N	444031
123c1ccc(cc1)C(c1ccccc1)S(=O)CC(=O)N	4236
124c1ccc(cc1)C(c1ccccn1)(C(=O)N)CCN(C(C)C)C(C)C	3114
125c1ccc(cc1)C1(C(=O)NC(=O)N1)c1ccccc1	1775
126c1ccc(cc1)C1=NC(C(=O)Nc2c1cc(cc2)Cl)C(=O)O	2809
127c1ccc(cc1)C1=NC(C(=O)Nc2c1cc(cc2)Cl)O	4616
128c1ccc(cc1)CC(=O)NC(=O)N	4753
129c1ccc(cc1)CC(C(=O)NC1CCSC2CCCC(N2C1=O)C(=O)O)S	126046
130c1ccc(cc1)CC(C(CN(Cc1ccc(cc1)c1ccccn1)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)C(C(C)(C)C)NC(=O)OC	148192
131c1ccc(cc1)CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(C)NC(=O)C1C=C2c3cccc4c3c(c[nH]4)CC2N(C1)C)O	8223
132c1ccc(cc1)CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(C)NC(=O)C1CC2c3cccc4c3c(c[nH]4)CC2N(C1)C)O	10531
133c1ccc(cc1)OCC(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	6869
134c1ccc(cc1)S(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)CC1CCCN1C	77993
135c1ccc2c(c1)C(N=[N+]2C)C(=O)NC1CC2CCCC(C1)N2C	3510
136c1ccc2c(c1)[nH]c(=O)n2C1=CCN(CC1)CCCC(=O)c1ccc(cc1)F	3168
137c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F	16362
138c1ccc2c(c1)[nH]c(=O)n2CCCN1CCC(CC1)n1c2ccc(cc2[nH]c1=O)Cl	3151
139c1ccc2c(c1)c(=O)[nH]c1cccnc1n2C(=O)CN1CCN(CC1)C	4848
140c1cnc(cn1)C(=O)N	1046
141c1nc2c([nH]1)c(=O)n(c(=O)n2C)C	2153