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44304731	C1CC2C3=CN=NC=C3CCC1N2
44427066	C1C2CNC1CN2C3=CC=NC=C3
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44455980	CC1(C2=CC=CC=C2NC(=N1)N)C
44455986	CCC1C2=CC=CC=C2NC(=N1)N
44589968	C1C2CN(CC1N2)C3=CN=CC=C3
45038785	C1CN(CC2=CC=CC=C21)[13C](=[15NH])[15NH2]
45077863	CC1=NC2=C(N1)C=CC=C2N(C)C
45077923	CCC1=NC2=C(N1C)C=C(C=C2)N
45078041	CCNC1=NC2=C(N1)C=C(C=C2)C
45078161	CC1=CC2=C(C=C1C)N=C(N2)NC
45078618	CCN(C)C1=NC2=CC=CC=C2N1
45098232	C1CCC(CC1)(C#N)C2=CN=CN2
45099644	C1CN(C(=N)CN1)C2=CC=CC=C2
45120664	CC1=NC2=C(N1)C=C(C=C2)CCN
45120689	CC1=NC2=C(C=CC=C2N1)CCN
45120970	CC1=CC=CC(=C1N)C2=NCCN2
45501644	CC(C)(C1=NC2=CC=CC=C2N1)N
45788168	C1CC1C2=CC(=NC(=N2)C3CC3)N
45788743	C1CCC(=CC1)C2=CN=CC(=N2)N
46237751	CC1=CC(=NC(=C1C#N)N(C)C)C
46344373	CC(C)CC1=NC2=C(N1)C=NC=C2
46398412	CCNC(C)(C#N)C1=CN=CC=C1
46398413	CCNC(C)(C#N)C1=CC=NC=C1
46833661	CC1=NN2C(=C(C(=C2C=C1)N)C)C
49758999	C[C@H](C1=CN=C2C(=C1)C=CN2)NC
49759026	C1=CNC2=NC=C(C=C21)CCCN
49759036	C[C@@H](C1=CN=C2C(=C1)C=CN2)NC
49759059	CC[C@H](C1=CN=C2C(=C1)C=CN2)N
49823864	C1CC2C(CC1N2)C3=CN=CN=C3
50896687	C1CCC(C1)N2C=CC(=N2)CC#N
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51072175	CC1=CC2=NC(=CN2C(=C1)C)CN
51072249	CC1=NC2=C(N1C)C=CC(=C2)CN
51342181	CCC(C1=CN2C=CC=CC2=N1)N
51345753	CN1CN(C=C1N)C2=CC=CC=C2
51424667	CC1=C([C@H]([NH+]=N1)C2=CC=CC=C2)[NH3+]
51777144	C[C@@H](C1=CC2=C(C=C1)C=NN2C)N
51777146	C[C@H](C1=CC2=C(C=C1)C=NN2C)N
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52324342	C[N+]1=C([C@H]([NH+]=C1)C2=CC=CC=C2)N
53260997	CC1=C(C=C(C=C1)C(C)C)N=[N+]=[N-]
53275223	CC1=C(C2=CC=CC=C2N1)CNN
53364273	CC1=NN2C=CC=CC2=C1CCN
53384456	CC1=CC=C(C=C1)NN=NCC=C
53397263	CC1=C(N2C=CC(=CC2=N1)CN)C
53399458	CC1=C2C(=CC(=N1)N(C)C)C=CN2
53404330	C1=CC=C(C=C1)C(CCC#N)NN
53421526	CCCCC1=CC=CC2C1=NN=N2
53621913	CC(C)N1C=C2C=CC(=CC2=N1)N
53651041	C1CN2CCC1C(=C2)C3=CC=NN3
53688994	CN(C1=CC=CC=C1)NCCC#N
53714031	CC1=CN=C(C2=C1N=C(N2C)C)C
53720914	CC1=NC(=C2C(=C1)CN=C(N2)C)C
53727923	CC1=CC(=NC=C1)N2CCN=C2C
53749603	CC1C(=NC2=C1N=C(N=C2C)C)C
53822321	CC1=CN(C2=NC(=NC(=C12)C)C)C
53852340	CC1=C(C=C(C(=C1)C#N)N(C)C)N
53852345	CN(C)CC1=C2C=CNC2=NC=C1
53921093	CCN1C(=NC2=C1N=C(C=C2)C)C
53957765	CC(C)(C)N=CCC=C(C#N)C#N
53959717	C1C=NC2N1NCC3C2C=CC=C3
53967513	CCCC1=CC2=C(N=C1)N=CN2C
53980341	C1CC2=CC=CC=C2NC1C(=N)N
53987993	CCC1=C(C2=NNN=C2C=C1)CC
53990789	C1CN(C2=CC=CC=C2C=N1)CN
54002042	CN1CN=CN(C1)C2=CC=CC=C2
54012501	CNC1=CC=C(C=C1)N2CCC=N2
54034873	CCN1CC=CC=C1N2C=CC=N2
54109722	CC1=C2C(=NC=C1C(C)C)N=CN2
54163785	C1CCN(C1)C(=N)C2=CN=CC=C2
54171326	C1CN=C(N1)C(C2=CC=CC=C2)N
54189096	CC(C)CC1=CC=CC2=NNN=C21
54219005	CCC(C)C1=CC=CC2=NNN=C21
54219670	CC1=C(N=C2C(=C1)CN=C(N2)C)C
54228548	CCNCC1=CC2=C(C=C1)NN=C2
54255780	CN(C)C=CC=NC1=CC=CC=N1
54268925	CC(CC1=CC(=C(C=C1)N)N)C#N
54289046	CC1=CN=C(C2=C1CN=C(N2)C)C
54336138	CC1=CN(N(C1)C2=CC=CC=C2)N
54356999	CCCN1C(=NC2=C1C=CC=N2)C
54371617	C1CN2CC1CC2C3=NC=CN=C3
54394943	C1CCN(CC1)C=C(CC#N)C#N
54411310	C1CNCC2=C1C=C(C=C2)C(=N)N
54426122	C1CC(N(C1)C=N)C2=CN=CC=C2
54452698	CCCCN=C=NC1=CN=CC=C1
54452928	CC1=CC(=C2C=CN(N2)C)C(=N1)C
54523210	CC=NCCN=CC1=CC=CC=N1
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54592414	C1CN(CC=CN1)C2=CN=CC=C2
54592415	C1CN=CCN(C1)C2=CN=CC=C2
54593118	CC(C)N1C=C2C=C(C=CC2=N1)N
54594985	CC(C1=NCC2=CC=CC=C2N1)N
54607620	C/C=C(/C1=CC=CC=C1)\NN=NC
55221916	CC1=CN2C=C(N=C2C=C1)CNC
55221917	CC1=CC=CN2C1=NC(=C2)CNC
55252685	CC1=CC=CC2=NC(=CN12)CNC
55252686	CC1=CC2=NC(=CN2C=C1)CNC
55253461	CC(CC1=CC=CC2=CC=NN21)N
55254982	CC(CC1=CC2=C(C=C1)NN=C2)N
55255708	CC(C)C1=CC2=C(C=C1)N=C(N2)N
55262443	CC1=C(NC(=C1C)[C@@H]2CCN2)C#N
55262466	CC(C)NC(C#N)C1=CC=NC=C1
55262635	CCC[C@H](C1=NC=CC(=C1)C#N)N
55262710	CCC(C1=NC=C2N1C=CC=C2)N
55262750	CCC[C@H](C1=C(C=CN=C1)C#N)N
55262828	CC(CC1=NC=C2N1C=CC=C2)N
55262869	CCC[C@H](C1=C(C=NC=C1)C#N)N
55263577	CCC[C@H](C1=NC=C(C=C1)C#N)N
55263803	CCC[C@H](C1=CC=CC(=N1)C#N)N
55263928	CCC[C@H](C1=CN=C(C=C1)C#N)N
55264040	CCC[C@H](C1=C(N=CC=C1)C#N)N
55264041	CCC[C@H](C1=CN=CC(=C1)C#N)N
55264050	CC1=NC(=C(C=C1)[C@@H](CC#N)N)C
55264102	CC(C)NC(C#N)C1=CC=CC=N1
55264135	CC1=CC2=NC=C(N2C=C1)CNC
55264749	C1CC2NC3=C(CN2C1)C=CC=N3
55264862	CC[C@@H](C1=CC=C(C=C1)C)N=[N+]=[N-]
55264864	C1CN=C(N1)C2=CC=C(C=C2)CN
55265328	C1=CC=C2C(=C1)C=C(N2)[C@@H](CN)N
55265600	CN(C)CC1=CC2=C(C=C1)C=NN2
55266532	C1=CC2=NC=C(N2C=C1)CCCN
55267161	C1=CC2=CC=NN2C(=C1)CCCN
55267315	C1=CC2=NC=CN2C=C1CCCN
55267965	CC1=C2C(=CC(=C1)CCN)C=NN2
55268100	C1=CC2=C(C=NN2C=C1)CCCN
55270231	CC1=CC=CN2C1=NC(=C2)C(C)N
55270232	CC1=CC2=NC(=CN2C=C1)C(C)N
55270233	CC1=CN2C=C(N=C2C=C1)C(C)N
55270234	CC1=CC=CC2=NC(=CN12)C(C)N
55273533	C1=CC=C(C(=C1)CC#N)[C@@H](CN)N
55273645	CC1=C(C=CC(=C1)N)[C@@H](CC#N)N
55273646	CNC1=CC=C(C=C1)[C@@H](CC#N)N
55273697	C1=CC(=CC(=C1)[C@@H](CN)N)CC#N
55273742	C1=CC2=C(C(=C1)C(CN)N)NC=C2
55273886	C1=CC(=C2C=CNC2=C1)C(CN)N
55274032	C1=CC(=CC2=C1C=CN2)C(CN)N
55274241	CC1=C(C=C(C=C1)[C@@H](CC#N)N)N
55274496	CC(C)[C@H](C1=NC=C(C=C1)C#N)N
55274799	CC(C)[C@H](C1=CC=CC(=N1)C#N)N
55274912	C1=CC2=C(C=CN2)C=C1C(CN)N
55275220	CC(C)[C@H](C1=CN=C(C=C1)C#N)N
55275383	CC(C)[C@H](C1=C(N=CC=C1)C#N)N
55275537	CC(C)[C@H](C1=CN=CC(=C1)C#N)N
55277697	C1=CC(=C2C=CNC2=C1)[C@@H](CN)N
55277870	C1=CC2=C(C=CN2)C=C1[C@@H](CN)N
55277871	C1=CC(=CC2=C1C=CN2)[C@@H](CN)N
55278730	C1=CC2=C(C(=C1)[C@@H](CN)N)NC=C2
55281391	CC1=CC=C(C=C1)C(CC#N)NN
55281546	CC1=CC(=CC=C1)C(CC#N)NN
55282558	CC1=CC(=C(C=C1)N)C(CC#N)N
55282742	C1=CC(=CC(=C1)C(CN)N)CC#N
55282843	CC1=C(C(=CC=C1)C(CC#N)N)N
55282912	CC1=C(C=CC(=C1)C(CN)N)C#N
55283318	CC1=C(C=CC(=C1)C(CC#N)N)N
55283415	CC1=CC(=C(C=C1)C(CC#N)N)N
55283483	C1=CC=C(C(=C1)CC#N)C(CN)N
55283659	CC1=C(C=CC(=C1)N)C(CC#N)N
55283693	CC1=C(C=C(C=C1)C(CC#N)N)N
55291650	CCC1=C(C=NC=C1)[C@@H](CC#N)N
55291665	C1=CC=C2C(=C1)C(=CN2)[C@@H](CN)N
55291973	CC1=CN=C2C(=C1)C(=CN2)[C@@H](C)N
55292306	CC(C)C(C1=CN=CC(=C1)C#N)N
55292307	CCCC(C1=CN=CC(=C1)C#N)N
55292587	CC(C)C(C1=CN=C(C=C1)C#N)N
55292588	CCCC(C1=CN=C(C=C1)C#N)N
55293386	CCC1=C(N=CC=C1)[C@@H](CC#N)N
55293522	CCC(C1=CNC2=C1C=CC=N2)N
55293820	CCC1=C(N=CC=C1)C(CC#N)N
55293991	CC1=NC(=C(C=C1)C(CC#N)N)C
55294161	CCC(C1=CN=C2C(=C1)C=CN2)N
55294218	CC(C1=CC2=C(N1)C=CC(=C2)N)N
55294291	C[C@@H](C1=CC2=C(N1)C=CC(=C2)N)N
55294326	CC[C@H](C1=CNC2=C1C=CC=N2)N
55294472	CC(C)C(C1=CC=CC(=N1)C#N)N
55294473	CCCC(C1=CC=CC(=N1)C#N)N
55294997	CCC1=C(C=NC=C1)C(CC#N)N
55295225	CCC(C1=CN2C=CN=C2C=C1)N
55295438	CC1=CN=C2C(=C1)C(=CN2)C(C)N
55295459	CC(C)C(C1=NC=C(C=C1)C#N)N
55295460	CCCC(C1=NC=C(C=C1)C#N)N
55295537	CC1=C(C=CC=C1N)C(CC#N)N
55297296	C1[C@H]2CN(C[C@H]2N1)C3=CC=CC=N3
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56636174	C1CC2CC3=C(CC2=NC1)NN=C3
56828906	CCN(CC#N)C1=CC=C(C=C1)N
56986770	CN1CCN=C1NC2=CC=CC=C2
56998101	CC1=NCCN1NC2=CC=CC=C2
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57101946	CC1=CC=CC=C1NN2CCN=C2
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57234190	CCCCC1N=C2C=CN=CC2=N1
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57421414	CNCCC1=CNC2=C1N=CC=C2
57431531	C1C2C1CN(C2)C3=NC=C(C=C3)N
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57476453	CCC1=CC2=NNC(=C2C(=N1)C)C
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57548081	C1CC2CN(C1)C=C2C3=CC=NN3
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57604297	C/C=N/N(C1=CC=CC=C1)C(=C)N
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57663136	C1[C@@H](C1C2=CC=CC=C2)N=C(N)N
57721449	C1CN(CC=C1)C2=NC=C(C=C2)N
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57742211	CC1N=C(NN1C2=CC=CC=C2)C
57755940	CC1=NCCN1CC2=CN=CC=C2
57763253	CC1=NC2=C(N1C)C=C(C=C2)NC
57774244	CCC1=NC2=C(C=CN=C2N1C)C
57775111	CC(C)(C)C1=CN=CC2=C1N=CN2
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57813712	CC(C)(C)C1=NC=NC2=C1NC=C2
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57819556	[CH]C1=CN=C(N=C1)N2CCCCC2
57828060	C1CNC2NC3=CC=CC=C3N2C1
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57833920	CC1=CC2=NC=C(N2C=C1)C(C)N
57853944	CC[C@H](CN=[N+]=[N-])C1=CC=CC=C1
57856032	CC1=NC=C(C=N1)C23CC2CNC3
57881393	CC(C)C(CC#N)C1=CN=CN=C1
57886501	CC1=CC2=C(N=C1)N=C(N2)C(C)C
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57966896	CC(C)C1=NN(C2=C1C=CC=N2)C
57978317	[CH2-][NH2+]CCC1=NC2=CC=CC=C2N1
57980521	C1CNCC(=C1)C2=NC=C(C=C2)N
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57981283	CCNC1=NN2C=CC=CC2=C1C
57986153	CC(C)N1C(=C)NC2=C1N=CC=C2
57991887	CC(C)(C)C1=NC=C2C(=C1)C=NN2
58009033	CC1=NC2=C(C(=N1)C(C)C)N=CC2
58014665	C1[C@@H]2CN([C@@H]2CN1)C3=CC=NC=C3
58014683	C1[C@H]2CN([C@H]2CN1)C3=CC=NC=C3
58015214	CC(C)C1=CC=CC2=C1NN=C2N
58024786	CC(C)(C)C1=CN2C=CN=CC2=N1
58024798	CC(C)(C)C1=CN2C=NC=CC2=N1
58071296	CC1=C(N2C(=C1C)C=NC(=N2)C)C
58088098	CC(C)(C)C1=NN2C=CC=CC2=N1
58088278	CC(C)(C)C1=NN=C2N1C=CC=C2
58094207	CC(C)(C)C1=CN2C=CN=C2C=N1
58095894	CC1C2=CC=C(N2CCN1C)C#N
58115260	CCN1C=NC2=C(C(=CN=C21)C)C
58148323	[CH]C1=CC(=NC=C1)N2CCNCC2
58148355	[CH]C1=CN=C(C=C1)N2CCNCC2
58166294	CCN1C2=NC=C(C=C2C(=N1)C)C
58166582	CC(C)(C)C1=CN2C=CN=C2N=C1
58179524	CC(C)C1=NC2=C(N1C)C=NC=C2
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58180127	CC(C)C1=NC2=C(N1C)N=CC=C2
58182585	CC1=NC=C2C(=N1)CC(=N2)C(C)C
58196174	[3H]C1=C2CN=C(C2=NC(=N1)C)C(C)C
58196198	[3H]C1=NC(=CN2C1=CN=C2C(C)C)C
58242769	CC1=NN2C=C(N=C2C=C1)C(C)C
58246888	C[C@@H](CC1=CC=CC=C1)CN=[N+]=[N-]
58256241	CCCN1C=NC2=C1C=CN=C2C
58269956	CCC1=NC2=C(N1CC)N=CC=C2
58270238	CC(C)(C)C1=CC2=CN=NN2C=C1
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58270263	CC(C)(C)C1=CC=NN2C1=NC=C2
58270304	CC(C)(C)C1=NC=C2N1C=CC=N2
58296094	C1CNCC=C1C2=NC(=CC=C2)N
58319072	CC1=NC(=C2C(=C1)N(C(=N2)C)C)C
58332082	CC1=NC2=NC=CN2C(=C1)C(C)C
58332094	CC1=NC(=C2C=CNC2=N1)C(C)C
58332098	CC(C)(C)C1=CC=NN2C1=CC=N2
58332116	CC(C)(C)C1=CC=NC2=NC=CN12
58332157	CC1=CC=C2N1N=CN=C2C(C)C
58332166	CC(C)(C)C1=NC=NC2=C1CN=C2
58332176	CC(C)(C)C1=NC=NN2C1=CC=C2
58333460	CC(C)CN1C=NC2=C1C=CC=N2
58333478	CC(C)CN1C=NC2=C1C=NC=C2
58333498	CC(C)CN1C=CC=C2C1=NC=N2
58333507	CC(C)CN1C=NC2=C1N=CC=C2
58398098	CC(C)C1=CC2=C(C=C1)N(N=N2)C
58425431	CN1CCN(CC1)C2=NC=C[C]=[C]2
58426295	CC(=C/C=C/N(C[N+]#[C-])C[N+]#[C-])C
58431097	CCC(C1=NC2=C(C=C1)C=CN2)N
58439360	CC(C)(C)C1=CN=C(C(=C1)C#N)N
58448582	CC1=CN2C=C(N=CC2=N1)C(C)C
58459192	CC1=CN=CC2=NC(=CN12)C(C)C
58459440	CC(C)(C)C1=C2N=CC=CN2N=C1
58468582	CC(C)(C)C1=NC2=CN=CN=C2C1
58468593	CC(C)(C)C1C=NC2=CN=CN=C12
58472177	CC(C)NC1=NC2=C(C=C1)C=CN2
58472451	C/C(=N\N=C(\C)/N)/C1=CC=CC=C1
58476592	CN(C)CC#CC1=CC(=CN=C1)N
58503744	CC1=NC(=CC(=C1)C#N)NC(C)C
58513834	C1C=CCN1CNC2=CC=CC=N2
58525254	CC1=NN2C=CC=NC2=C1C(C)C
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58525260	CC1=NN2C=NC=CC2=C1C(C)C
58525261	CC1=C(N2C=CN=CC2=N1)C(C)C
58525263	CC1=C(N2C(=N1)C=CC=N2)C(C)C
58525269	CC1=NN2C=CN=CC2=C1C(C)C
58532313	CCCN1C=NC2=C1C=C(C=N2)C
58532344	CCNN1C=CC2=C1C=C(C=N2)C
58532407	CCCN1C=CC2=NC(=NC=C21)C
58532414	CCCN1C2=C(C=N1)N=CC(=C2)C
58532435	CCCN1C=CC2=NN=C(C=C21)C
58532442	CCCN1C=CC2=NC(=CN=C21)C
58532474	CCCN1C=CC2=NC=C(N=C21)C
58563399	CC1=CN2C(=CN=C2C=N1)C(C)C
58571328	CC1=CC(=NC2=C1C(=NC2)NC)C
58586661	CC1=C(C(=NC(=C1C)N=C)N=C)C
58592549	CC(C)CC1=CN2C=CC=NC2=N1
58613094	CC1=C2C(=CC=C1)N(C=N2)CCN
58619358	CCN(CC)/C=C\C=C([N+]#[C-])[N+]#[C-]
58622954	CC(C)(C)N1C=C2C=CC=NC2=N1
58653628	CC1=NC2=C(N1C)C=CC(=C2)NC
58669290	CCC1=CN2C=C(N=C2N=C1)CC
58691749	CC(C)CC1=C2C=CNC2=NC=N1
58750794	CC1N(N=CN1C2=CC=CC=C2)C
58757198	CC(C)(C)C1=CN2C(=NC=N2)C=C1
58784000	CC1=CN2C(=NN=C2C(C)C)C=C1
58789471	CC1=CC(=C(C2=NN(N=C12)C)C)C
58823860	C1CC=C2N=C3CCCC3=NN2C1
58851244	CCCC1=NCC2=NC(=NC=C21)C
58860689	CN1CCC(=NC2=CC=CC=C21)N
58864214	CC1=CC(=CC2=NNN=C12)C(C)C
58874503	C1CN2CCC1C(=C2)N3C=CN=C3
58901716	CC(C)C1=CN2C=C(N=C2C=C1)N
58914476	CN1CCC2=C1C=C(C=C2)C(=N)N
58918439	CC(CC(CC(C)C#N)C#N)C#N
58935744	CC(C)(C)C1=C2C=NC=CC2=NN1
58935805	CC(C)(C)C1=C2C=CC=NC2=NN1
58941966	CC(C)(C)C1=C2C=NNC2=NC=C1
58942372	CN1C[C@@H]2CC(C1)C3=NC=CN=C23
58942374	CN1CC2CC(C1)C3=NC=CN=C23
58945620	CC(C)(C)C1=CN=C2N1N=CC=C2
58945684	CC(C)(C)C1=C2C=CN=CN2N=C1
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58970231	CNCCN1C=CC2=C1C=CC=N2
58990907	CCCC1=CC2=C(C=C1)NN=C2N
58991702	CN1CN(C=C1)C(=C)C2=CC=CN2
59016880	CC1=CN2C(=N1)C(=C(C(=N2)C)C)C
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59020902	CC1=CC(=NC=C1)C(=N)N2CCC2
59024057	CC(C)C1=CNC2=NC=C(C=C12)N
59095878	CCC1=CC2=C(C=C1)N=C(N2)NC
59097712	CC(C)C1=CC2=C(N=C1)N(C=N2)C
59097718	CC(C)C1=NC2=C(C=C1)N(C=N2)C
59097759	CC(C)C1=NC=C2C(=C1)N=CN2C
59099996	[2H]C1=C2C(=C(N1C)C)C(=NC(=N2)C)C
59127276	CCC1=CC2=C(C=C1)N(C(=N2)N)C
59137321	CC(C)C1=CC2=C(C=C1)C(=NN2)N
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59145461	CC(C)C1=C2C(=CC=C1)NC(=N2)N
59169599	CC(C)N1C=CC2=C(C=CN=C21)N
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59222306	CC(C)NC1=NNC2=CC=CC=C21
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59262880	CC1=CCCC2=CN=C(N=C12)NC
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59319993	CCN1C2=NC=C(C(=C2C=N1)C)C
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59332040	CC(C)N1C=CC2=CC(=CN=C21)N
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59379498	CC(C)CC1=CN2C(=NC=N2)C=C1
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59402221	CC(C)(C)C1=CC2=C(N=C1)N=CN2
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59421447	CC(C)(C)N1C2=C(C=CC=N2)C=N1
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59421480	CC(C)(C)N1C=NC2=C1C=CN=C2
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59421507	CC(C)(C)N1C=CC2=NC=CN=C21
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59428623	CC1CN(C=N1)CC2=CC=NC=C2
59434762	CC(C)C1=CC=NC2=NN=CCC12
59436679	CC(C)(C)C1=C2C=CC=NN2N=C1
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59447461	CC(C)(C)C1=CNC2=CN=CN=C12
59463905	CC(C)(C)C1=NC=C2C=CNC2=N1
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59464666	CC(C)(C)C1=NC2=C(C=C1)NC=N2
59464700	CC(C)(C)C1=NC=C2C(=C1)N=CN2
59474030	CNC1=CC=CC2=C1CNC(=C)N2
59477627	C1CCC(CC1)C2=C(C=NN2)C#N
59485347	CCCN(C#N)C1=NC=C(C=C1)C
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59511724	CC1=NC2=NNC(=C2C=C1)C(C)C
59514162	CN1C2=C(C=C(C=C2)N(C)C)C=N1
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59574636	CC(C)(C)C(C#N)C1=CN=NC=C1
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59588564	CC1=NC2=C(N1C)C=C(C=C2)CN
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59589206	CC(C)C1=NC=C2C=CN(C2=N1)C
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59644400	CCC1=C2C(=C(NC2=NC=N1)C)C
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59665210	CC(C)CN1C=NC2=C1C=CN=C2
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59806677	C/C=C\C1=C2C=NC=CN2CN1C
59813326	CC(C)(C)C1=C2C=CNC2=NC=N1
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59825040	CCC1=CC2=C(NN=C2N=C1)CC
59825103	CCC1=NN(C2=NC=C(C=C12)C)C
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59842970	CC(C)(C)NC1=CN=CC(=C1)[N+]#[C-]
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59872559	CNC1=CC=CC(=C1)C2=NNCC2
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59918568	CCC1=C2C=CN(C2=NC(=N1)C)C
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66643375	CCC1=C2C(=CC=C1)N(N=N2)CC
66745948	CC(C)NC1=CC=CC(=C1C#N)N
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69927595	C1CNC2=NC=CC3=C2C1NCC3
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70014501	CC1=CCNN1C2=CC=C(C=C2)N
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70204855	C1CN2C3C(=CC=CN3)C=C2CN1
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70296763	C1=CC=C(C=C1)CN.C1=CNN=C1
70313379	CC1=C2C(=CC=C1)N=C(N2C)CN
70316843	CC(C)(C)NC1=CN=CC(=C1)C#N
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70333076	CN1CCC(=CC1)C2=CN=CN=C2
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70339667	CN1CC2=CC=CC=C2CC1N=N
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70380842	C1CN(N=N1)CCC2=CC=CC=C2
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70422523	C1CC2=C(C3=C(CC2)NC=N3)NC1
70435610	C=CCC1=CN=C(C(=N1)CC=C)N
70436124	C1C=CN=C2C1CC3CNNC3=C2
70464700	CC1=NCC(N1)C2=CC=CC=C2N
70482829	C1C=CN(CN1)CC2=CC=CC=N2
70520383	CC1=NC(CN1C2=CC=CC=C2)N
70524566	CC1=CC=C(C=C1)C=CCN=NN
70529823	CC(C)CC1=NC=CC(=C1C#N)N
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70532610	CC1=C(C=C(C=C1)N2CCC=N2)N
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70537621	CCCC1=C2C(=CC=C1)NN=C2N
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70580700	CC1=NC=C2C(=N1)C=C(N2)C(C)C
70585727	CC1=CC(=C(C=C1)N2CC=CN2)N
70598780	C1CC2C(C=C1)NC3C2C=NC=N3
70625315	C1CNC2=C3C(=CCC2N1)C=CN3
70647768	CCC1=CC2=C(C=C1)NN=C2NC
70667633	CCC1=C2C=CNC2=NC(=N1)CC
70671894	CC1N(C=NN1C2=CC=CC=C2)C
71362193	CC1N=CNN1CC2=CC=CC=C2
71379431	C1CN2C=CC3CNNC3=C2C=C1
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71397571	C[C@H]1[C@@H](N1N=NC2=CC=CC=C2)C
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71426032	CN1C=C2C(=N1)C=CC=C2N(C)C
71426036	CC1(C2=CC=CC=C2N=N1)N(C)C
71426037	CN1C(=C2C=CC=CC2=N1)N(C)C
71459913	C1CN2C[C@@H](C1C2)C3=NC=CN=C3
71711012	C1CC1C2=NC=C3CCNCC3=N2
71778128	C1=CC2=C(N=C1)N(C=C2)CCCN
71778146	C1=CN(C2=NC=CC2=C1)CCCN
71778234	CCNCC1=CN=C2N1C=CC=C2
71778241	CC(CC1=C2C=CC=CN2N=C1)N
72207249	CC1=C2C=C(C=CC2=NN1C)CN
72207618	CC1=C2C=CC(=CC2=NN1C)CN
72219359	CCCN1C2=C(C=C(C=C2)N)C=N1
72302140	C1CCN=C(C1)NC2=CC=CC=N2
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72484078	CC(C)(C)C1=CC2=NC=CN=C2N1
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72567178	CC=CC1=C2C=NC=CN2CN1C
72609071	CNN=C(C=NC)C1=CC=CC=C1
72623400	C1=CC=[NH+]C(=C1)C2C=CC=CN2[NH3+]
72792547	CC1=NC(=C(C(=C1)C(C)C)C#N)N
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35236	CC1=NC(=NC(=N1)NCCC#N)NCCC#N
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802543	CNC1=NC(=NC(=N1)NC2=CC=CC=C2)NN
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2332502	CN(C)C1=CC=C(C=C1)C=NNC2=NNN=N2
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5427269	CN(C)C1=CC=C(C=C1)/C=N\N2C(=NN=N2)N
5670717	CN(C)C1=CC=C(C=C1)/C=N\NC2=NNN=N2
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11812509	C1=C[N+](=CN1)CC2=NC(=NN2)C[N+]3=CNC=C3
11975432	C1=CC(=CC=C1CN)NN=C2C(=NN=C2N)N
14091892	CC1=CN2C(=N1)C3=C(C(=N2)NN)N=NC3(C)C
15154709	CN1C=NC(=N1)C2=C(N=NC=C2)/N=C/N(C)C
19135194	CCNC1=C(C(=NC=N1)N(CC#N)CC#N)N
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19137089	C1=NC(=C(C(=N1)N(CCC#N)CCC#N)N)N
19144347	C1=CC=C(C=C1)NNC2=NC=NC(=C2N)NN
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21780491	CN1C=NN=C1C2=C(N=NC=C2)/N=C/N(C)C
21780492	CN1C(=NC=N1)C2=C(N=NC=C2)/N=C/N(C)C
22542377	CC1=NC(=CC=C1)NC2=C(C(=NC=N2)NN)N
22542824	C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NN)N
22545211	CC1=CC(=NC=C1)NC2=C(C(=NC=N2)NN)N
22946082	CC1=CN=C(C=N1)CN2CCNN=C2NC#N
42610050	C1=CN=C(C=N1)NC2=CC(=NC=N2)NCCN
55166745	CN1C(=NN=N1)N(C)C2=CC=C(C=C2)C(=N)N
56629271	C1=CC(=CN=C1)NCCC2=NC(=NC(=N2)N)N
56760872	CC1=NN2C(=C1)N=NC(=C2NCN(C)C)C#N
59002469	CC1=NC(=NC(=N1)NC2=NC(=NC(=N2)C)C)C
59487101	CC(C)N1CC2=CN=C(N=C2C1)C3=NNN=N3
59511501	C1CN(CCN1)C2=NN=NN2C3=CC=CC=N3
59771161	CNC1=CC=C(C=C1)C(CN=[N+]=[N-])CN=[N+]=[N-]
61805355	CCN(CC(C)C#N)C1=CN=CC2=NN=NN12
61805531	CC(C)N(CCC#N)C1=CN=CC2=NN=NN12
61806678	C1CN([C@H]2[C@@H]1CNC2)C3=CN=CC4=NN=NN34
61873110	CCCC(C1=NNC2=C3C(=NC=N3)N=CN21)N
61873120	CC(C)NCC1=NNC2=C3C(=NC=N3)N=CN12
61873313	CCCNCC1=NNC2=C3C(=NC=N3)N=CN12
61873314	CCC(C1=NNC2=C3C(=NC=N3)N=CN21)NC
61873318	CNCCCC1=NNC2=C3C(=NC=N3)N=CN12
61873333	CC(C)C(C1=NNC2=C3C(=NC=N3)N=CN21)N
62250889	C1CCC2=C(C1)C(=NC(=N2)C3=NC=NN3)NN
62329486	CCNCCC1=NNC2=C3C(=NC=N3)N=CN12
62368749	CC(C1=NNN=N1)N=C(N)NC2=CC=CC=C2
62819392	CC(C)(C1=NNC2=C3C(=NC=N3)N=CN21)NC
62833511	CC(C1=NNN=N1)NC2=NC=NC3=C2CCC3
62949769	CC1=NN(C(=C1CNC)N2C=NC(=N2)C#N)C
62950691	CC1=NN(C(=C1CN2C=NC(=N2)C#N)NC)C
62951033	CC(C(C1=CN(N=C1)C)N2C=NC(=N2)C#N)N
63152312	CN1C(=NN=N1)N(C)C2=CC=CC(=C2)C(=N)N
63758886	CC1=NN(C(=C1C#N)NCC2=NN=CN2C)C
64060805	C1=NC2=C3NN=C(N3C=NC2=N1)CCCCN
64095703	CC(CCC1=NNC2=C3C(=NC=N3)N=CN12)N
64532452	CC1=NN(C(=C1C#N)NCCC2=NC=NN2)C
64575880	C1CN2C=NN=C2CN1C3=NC=CN=C3CN
64576457	C1CN2C=NN=C2CN1C3=NC=C(N=C3)CN
64580608	C1CN2C=NN=C2CN1C3=NN=C(C=C3)CN
64670452	CC(C)(CC1=NNC2=C3C(=NC=N3)N=CN12)N
65221237	CCC(CN)C1=NNC2=C3C(=NC=N3)N=CN21
65621788	CC(C)CN1C(=NC=N1)CN2C=NC(=N2)C#N
65653295	CNC1=NC(=NC(=N1)C2=NC=CN=C2)N(C)C
65653961	CCNC1=NC(=NC(=N1)N2C=NC=N2)C3CC3
65676690	CNC1=NC(=NC(=N1)C2=CN=CN=C2)N(C)C
65936086	C1CC1C2(CN(C2)C3=CN=CC4=NN=NN34)N
66012154	CC(C)C1=NN(C(=C1N)N2C=NC(=N2)C#N)C
66017363	CCCC1=NN(C(=C1N)N2C=NC(=N2)C#N)C
66024392	CC1=NN(C(=C1N)N2C=NC(=N2)C#N)C(C)C
66028646	CCCN1C(=C(C(=N1)C)N)N2C=NC(=N2)C#N
66188595	C1CC1N2C=NC=C2C(C#N)NCCN=[N+]=[N-]
66212414	C1C2CN(CC2CN1)C3=CN=CC4=NN=NN34
66449943	C1CN2C=NN=C2CN1C3=NC(=CN=C3)CN
67717778	C1=CC=NC(=C1)N=NC2(C=C(C=C(N2)N)N)N
67995255	C1CN(C(CN1)C2=CC=CC=N2)C3=NNN=N3
68275623	C=C(C1=CC2=C(C=C1)N=C(N2)CN)N=NNN
68734476	C1=CN=C(C=N1)N(CCN)C2=NC=NC(=C2)N
69651479	CC1=CC(=CC=C1)NNC2=NC(=NC(=N2)N)N
71057760	CC1=C(C2=NC(=NN2N1)CCN)N3C=CC=N3
71332107	C1=CC=C(C=C1)N(CCN=[N+]=[N-])CCN=[N+]=[N-]
72746357	CN1C=NC(=N1)C2=C(N=NC=C2)N=CN(C)C
11232621	C1CN(CCN1)C(=O)C2=NON=C2N.C1(=NON=C1N)C(=O)O
70429396	CC(=O)OCCC1=NC(=NC(=N1)N)N.C1(=O)NC(=O)NC(=O)N1
21609628	C(=C(C#N)C#N)C(=CO)C=C(C#N)C#N
58987138	C#CC#CC#CC#CN1C=NN=C1NO
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71404397	C1=COC(=C1)C2=CN=C(C(=N2)C#N)C#N
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55249306	C1=CC=C(C=C1)C2=NNN=C2CNCC(=O)N
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56626569	CCCN1C=C2C(=C(C3=CNNC3=N2)N)C1=O
56697559	CC1=CC=C(C=C1)NC2=NC(=NC)OC(=N2)N
56713197	CC(C1=CN=CC=C1)N(C)C(=O)C2=NC=NN2
56713801	COC1=NC=C(C=N1)C2C3=C(CCN2)NC=N3
56716641	C1CCN(C1)C2=C(C(=O)NN=C2)C3=CC=NN3
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60903906	C1=CN=CC=C1CCNC(=O)C2=C(NN=C2)N
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61217660	CN1C(=CC=N1)C=CC(=O)NCC2=CC=NN2
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61284268	CC1=NC=C(C=C1C(=O)NCC2=CC=NN2)N
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61284664	C1=C(NN=C1)CNC(=O)C2=CC(=CC(=C2)N)N
61291009	C1CCC(C1)(C2=NC(=NO2)C3=NC=CC=N3)N
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61291390	C1CCC(C1)(C2=NC(=NO2)C3=NC=CN=C3)N
61293141	CC1=CC(=NC=C1N)NC(=O)C2=CN(N=C2)C
61298649	C1=CC(=CC=C1C(=N)N)OCCN2C=NC=N2
61305719	CN1C=C(C=N1)NC2=C(C=C(C=C2)N)C(=O)N
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61348907	CN1C=C(C=N1)CNC2=C(C=CC=N2)C(=O)N
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61357269	CN1C=C(C=N1)C(=O)N(C)C2=C(C=NC=C2)N
61358407	CC1=CC(=NN1C2=NC=C(C=C2C(=O)N)N)C
61371346	C1CC(NC1)CC2=NC(=NO2)C3=NC=CC=N3
61371733	C1CC(NC1)CC2=NC(=NO2)C3=NC=CN=C3
61375983	COC1=C(C=C(C=C1)C2=NN=NN2C3CC3)N
61376569	COC1=CC(=C(C=C1)N)C2=NN=NN2C3CC3
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61393338	C1CC1N2C=C(C=C2C(=O)NC3=CC=NN3)N
61393602	CN(C)C1=NC=C(C=C1)C(=O)NC2=CC=NN2
61396651	C1C(=O)NC2=CC=CC=C2N1CCCN=[N+]=[N-]
61402512	CCC1=NC=CN1C2=NC=C(C=C2C(=O)N)N
61404965	CCC1=NC=CN1C2=C(C=CC=N2)C(=NO)N
61404966	CCC1=NC=CN1C2=NC=C(C=C2)C(=NO)N
61404967	CCC1=NC=CN1C2=C/C(=C(/N)\N=O)/C=CN2
61653637	CC1=NC(=C(C=C1)/C(=N/O)/N)N2C=CN=C2C
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61693197	CN(C)C1=NC=C(C=C1)C(=O)NC2=NC=CN2
61693931	CC(C1=CC=NC=C1)NC(=O)C2=C(NN=C2)N
61694256	CC1=C(C=NN1)C(=O)NCC2=NC(=NC=C2)C
61802727	CC1=NC(=C(C=C1)C(=O)NCC2=NC=NN2)C
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61804826	CN1C(=CC=N1)NC(=O)C2=C(C=C(C=C2)N)N
61804827	CN1C(=CC=N1)NC(=O)C2=CC(=CC(=C2)N)N
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61806766	CN1C(=CC=N1)NC(=O)NC2=CC=C(C=C2)N
61828705	CC1=C(C=CC(=C1)N)C(=O)NCC2=NC=NN2
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61854143	CC1=CC=CC(=C1C)C(=O)NCC2=NNN=N2
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61855544	CC1=CC=C(C=C1)CC(=O)NCC2=NNN=N2
61855908	C1CC2=C(C1NCC3=NNN=N3)C=CC=C2O
61856147	CC1=C(C=C(C=C1)C(=O)NCC2=NNN=N2)C
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61857126	C1COC2=C1C=C(C=C2)CNCC3=NNN=N3
61862748	CC1=C(N(C(=C1C#N)N)CC2=NC(=NO2)C)C
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61972775	CC(C1=NNN=N1)N2C=CC3=C2CCCC3=O
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62054659	C1=CC(=CC=C1CN2C=C(N=N2)CN)C(=O)N
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62077179	COC1=C(C=CC(=C1)N)N2C(=NN=N2)C3CC3
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62102040	C1=CC=NC(=C1)CNC(=O)CN2C=CC(=N2)N
62102378	CC1=C(N=CC=C1)NC(=O)CN2C=CC(=N2)N
62102527	CN(C1=CC=CC=N1)C(=O)CN2C=CC(=N2)N
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62102671	CC1=NC(=CC=C1)NC(=O)CN2C=CC(=N2)N
62102674	CC1=CC(=NC=C1)NC(=O)CN2C=CC(=N2)N
62155333	CC1=C(C(=NN1)C)NC(=O)C2=C(N=CC=C2)N
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62155496	CC1=C(C(=NN1)C)NC(=O)C2=CN=C(C=C2)N
62155587	CC1=NN(C(=C1)NC(=O)C2=NC=CC(=C2)N)C
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62155814	CCN1C=C(C=N1)NC(=O)C2=NC=CC(=C2)N
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62155992	CCN1C=C(C=N1)NC(=O)C2=CC(=NC=C2)N
62159894	C1CC1N(CCC#N)C(=O)C2=NN=C(C=C2)N
62168344	CCNC1=CC(=NC=C1)C(=O)NC2=CNN=C2
62168685	CCNC1=C(C=CC=N1)C(=O)NC2=CNN=C2
62169196	CNC1=CC(=NC=C1)C(=O)NC2=CN(N=C2)C
62169366	CNC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)C
62169711	CCNC1=NC=CC(=C1)C(=O)NC2=CNN=C2
62170223	CNC1=NC=CC(=C1)C(=O)NC2=CN(N=C2)C
62174952	CNC1=NC=CC(=C1)C(=O)NC2=CC=NN2C
62177450	CNC1=CC(=NC=C1)C(=O)NCC2=CNN=C2
62177632	CNC1=C(C=CC=N1)C(=O)NCC2=CNN=C2
62177803	CNC1=NC=C(C=C1)C(=O)NCC2=CNN=C2
62178514	CNC1=NC=CC(=C1)C(=O)NCC2=CNN=C2
62179496	CNC1=CC(=NC=C1)C(=O)NC2=NN(C=C2)C
62179842	CNC1=NC=C(C=C1)C(=O)NC2=NN(C=C2)C
62180557	CNC1=NC=CC(=C1)C(=O)NC2=NN(C=C2)C
62185127	CN1C=C(C=N1)CNC(=O)C2=C(N=CC=C2)N
62185336	C1=CC(=C(N=C1)N)C(=O)NCCN2C=CC=N2
62185464	CN1C=C(C=N1)CNC(=O)C2=NC=CC(=C2)N
62185672	C1=CN(N=C1)CCNC(=O)C2=NC=CC(=C2)N
62185796	CN1C=C(C=N1)CNC(=O)C2=CC(=NC=C2)N
62185840	C1=CN(N=C1)CCNC(=O)C2=CN=C(C=C2)N
62186008	C1=CN(N=C1)CCNC(=O)C2=CC(=NC=C2)N
62186516	CC1=C(C=NN1)CNC(=O)C2=C(N=CC=C2)N
62186533	C1=CC(=C(N=C1)N)C(=O)NCCN2C=CN=C2
62186868	C1=CN=C(C=C1N)C(=O)NCCN2C=CN=C2
62187021	CC1=C(C=NN1)CNC(=O)C2=CN=C(C=C2)N
62187187	CC1=C(C=NN1)CNC(=O)C2=CC(=NC=C2)N
62187201	C1=CN=C(C=C1C(=O)NCCN2C=CN=C2)N
62234686	CC1=C(C=NN1)CNC(=O)C2=NC(=CC=C2)N
62236898	CN1C=CC(=N1)NC(=O)C2=CC=C(C=C2)NN
62236899	CN1C=CC(=N1)NC(=O)C2=CC=CC=C2NN
62238443	CCN1C=C(C=N1)NC(=O)C2=NC(=CC=C2)N
62238793	CNC1=CC=CC(=N1)C(=O)NC2=NN(C=C2)C
62239280	CC1=NN(C(=C1)NC(=O)C2=NC(=CC=C2)N)C
62239354	C1=CC(=NC(=C1)N)C(=O)NCCN2C=CC=N2
62239855	CNC1=CC=CC(=N1)C(=O)NC2=CC=NN2C
62240319	CCNC1=CC=CC(=N1)C(=O)NC2=CNN=C2
62240855	CN1C=C(C=N1)CNC(=O)C2=NC(=CC=C2)N
62242495	CN1C=C(C=N1)NC(=O)C2=CC=C(C=C2)NN
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62832614	CC1=NOC(=N1)CNC2=NC=NC3=C2CCC3
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62922493	CC1=NN(C(=O)C=C1)CC2=C(N=CC=C2)NN
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62991135	COC1=NC=CC(=C1)CNC2=NC=C(C=N2)N
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63004104	C1CN(CCNC1=O)C2=NC=C(C=C2C#N)N
63013888	C1CN2C=CN=C2CN1C(=O)C3=CC(=CN3)N
63025412	C1CN2C=CN=C2CN1C3=NN=C(C=C3)CO
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63090405	C1C(CN1CC2=NN=NN2C3=CC=CC=C3)O
63102289	CN(CC1=CN=CC=C1)C(=O)C2=C(C=NN2)N
63102290	CN(CC1=CC=CC=N1)C(=O)C2=C(C=NN2)N
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63149750	CN1C(=NN=N1)NC2CCOC3=CC=CC=C23
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63206833	CC1=CN(C(=O)N=C1)CC2=C(N=CC=C2)NN
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63206878	CC1=CN(C(=O)N=C1)CC2=CN=C(C=C2)NN
63212241	CC1=C(C=CC(=C1)C(=O)NC2=CNN=C2)NN
63215578	C1=CC(=CC=C1N)NC(=O)CCN2C=CN=N2
63223334	CC(CC#N)N(C)C1=CC=C(C2=NON=C12)N
63260035	C1CCC(C1)C2=NOC(=N2)C3=NC=CN=C3N
63276757	CC1=NOC2=NC=NC(=C12)NC3C4C3CNC4
63277218	C1=CC(=CC(=C1)CNCC2=NC=NN2)C(=O)N
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63295841	CN1C=CN=C1CNC2=CC(=NC=C2)C(=O)N
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63301981	CN1C(=CC=N1)CNC2=C(C=CC=N2)C(=O)N
63303566	CN1C(=CC=N1)CNC(=O)C2=NC(=CC=C2)N
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63326173	CC1=C(C=NC=C1)NC(=O)CN2C=C(C=N2)N
63328380	CC1=C(C=NC=C1)NC(=O)C2=C(NN=C2N)C
63331730	C1COCC1NC2=CC=C(C=C2)N3C=NN=N3
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63348917	C1CC1C(CC2=NC(=NO2)C3=NC=CC=N3)N
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63554132	CCCC1=C(NC(=NC1=O)C2=NC=CC=N2)N
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63555212	CC(C)C1=C(NC(=NC1=O)C2=NC=CN=C2)N
63563008	CC1=CC(=C(C=C1)NN)C(=O)NC2=NC=CN2
63563010	CC1=C(C=CC(=C1)C(=O)NC2=NC=CN2)NN
63564690	C1=CC(=CC=C1CN)NC(=O)NC2=NC=CN2
63564691	C1=CC(=CC(=C1)NC(=O)NC2=NC=CN2)CN
63564915	CCNC1=CC(=NC=C1)C(=O)NC2=NC=CN2
63564916	CCNC1=NC=C(C=C1)C(=O)NC2=NC=CN2
63565264	CCNC1=C(C=CC=N1)C(=O)NC2=NC=CN2
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63603000	CCC1C(=O)NCCN1C2=NC=CN=C2C#N
63613527	C1CN2C=NN=C2CN1CC(=O)C3=CC=CN3
63653832	C1=CC=C(C(=C1)CN)CNC(=O)C2=NC=NN2
63653996	C1=CC=C(C=C1)C(CNC(=O)C2=NC=NN2)N
63654170	C1=CC(=CC=C1CCNC(=O)C2=NC=NN2)N
63654522	CNCC1=CC=CC=C1NC(=O)C2=NC=NN2
63658734	C1CN(CCC1C(=O)N)C2=NC=C(N=C2)C#N
63658737	C1CC(CN(C1)C2=NC=C(N=C2)C#N)C(=O)N
63659795	CC(=O)N1CCN(CC1)C2=NC=C(N=C2)C#N
63661699	C1CC(=O)NCC1NC2=NC=C(C=C2C#N)N
63668297	CC1=C(C=CN=C1)NC(=O)CN2C=CC(=N2)N
63668299	CC1=C(C=CN=C1)NC(=O)C2=NNC(=C2N)C
63669501	CC1=C(C=CN=C1)NC(=O)CN2C=C(C=N2)N
63705004	C1C(C(CN1)O)N2N=C(N=N2)C3=CC=CC=C3
63719507	CC1CNCC1C2=NC(=NO2)C3=NC=CC=N3
63722358	C1=CC(=NC=C1CN)C(=O)NCC2=CNN=C2
63722688	CN1C=CC(=N1)NC(=O)C2=NC=C(C=C2)CN
63723211	CN1C(=CC=N1)NC(=O)C2=NC=C(C=C2)CN
63723364	CN1C=C(C=N1)NC(=O)C2=NC=C(C=C2)CN
63752574	CC1=NN(C(=C1C(=N)N)OC2=CN=CC=C2)C
63757680	CC1=CC(=NO1)CNC2=C(C(=NN2C)C)C#N
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63819242	CC1=CC(=NN1)NC(=O)C2=C(C=C(C=C2)N)N
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63819422	CC1=CC(=NN1)NC(=O)C2=NC=C(C=C2)CN
63819566	CC1=CC(=NN1)NC(=O)/C=C/C2=CC=NN2C
63819722	CC1=CC(=NN1)NC(=O)/C=C/C2=CN(N=C2)C
63869412	C[C@H](C1=CC=CC=C1)NC(=O)C2=NC(=NN2)N
63882967	CC1=NC=CN1CC2=C/C(=C(\N)/N=O)/NC=C2
63883159	CC1=CN(N=C1)CC2=C/C(=C(\N)/N=O)/NC=C2
63930999	CC1=NC=C(N=C1)C(=O)N(C)CC2=NC=CN2
63984869	CNC1=NC(=NC(=C1)COC)C2=NC=NC=C2
63989754	CCCC1=C(NC(=NC1=O)C2=NC=NC=C2)N
63989958	CC(C)C1=C(NC(=NC1=O)C2=NC=NC=C2)N
63999438	CC1=C(C=NN1)C(=O)N(CCC#N)CCC#N
64040508	CC1=CN(N=C1N)C2=NC=CN(C2=O)C3CC3
64041124	CC1=CN(N=C1N)C2=CC(=NC=C2)C(=O)NC
64041734	CC1=NC(=C(C=C1)C(=O)N)N2C=C(C(=N2)N)C
64045813	CN(C1=CN=CC=C1)C(=O)CN2C=C(C=N2)N
64046009	CN(C1=CN=CC=C1)C(=O)CN2C=CC(=N2)N
64046254	CC1=C(C(=NN1)N)C(=O)N(C)C2=CN=CC=C2
64046571	CN(CC1=CNN=C1)C(=O)C2=C(N=CC=C2)N
64046573	CN(CC1=CNN=C1)C(=O)C2=CN=C(C=C2)N
64047934	CC1=C(C(=NN1)C(=O)N(C)C2=CN=CC=C2)N
64048316	CN(CC1=CNN=C1)C(=O)C2=NC=CC(=C2)N
64048317	CN(CC1=CNN=C1)C(=O)C2=CC(=NC=C2)N
64048510	CN(CC1=CNN=C1)C(=O)C2=NC(=CC=C2)N
64048769	CC1=NN(C(=N1)C)C2=C(C=CC(=C2)N)C(=O)N
64049140	C1=CC(=C(C=C1N)NCC2=CNN=C2)C(=O)N
64050480	C1=CC(=C(C=C1N)NCC2=CC=NN2)C(=O)N
64053738	CC1=NC=C(N=C1)C(=O)N(C)CC2=CNN=C2
64056098	CCNC(=O)C1=C(C=C(C=C1)N)N2C=NC=N2
64056295	CN(C)C(=O)C1=C(C=C(C=C1)N)N2C=NC=N2
64159972	CCCC1=NC=CN1C2=NC=CN=C2C(=O)N
64178551	CC1=NC=C(N=C1)C(=O)NCCC2=CN=CN2
64196311	CC1=C(C=NN1)C(=O)N2CCN3C=CN=C3C2
64196795	CN1C(=CC=N1)/C=C/C(=O)NCC2=NC=CN2
64197489	CN1C=C(C=N1)/C=C/C(=O)NCC2=NC=CN2
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64271723	CN(CC(=O)NC1CC1)C2=NC=C(N=C2)C#N
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64272135	CCC1C(=O)NCCN1C2=NC=C(N=C2)C#N
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64366965	CC1=NN=C2N1C=CN=C2N3CCC(=O)CC3
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64372201	C1CCN(C(C1)C=O)C2=NC=CN3C2=NN=C3
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64445090	CC1=C(C=NN1)C(=O)N(C)C2=C(C=NC=C2)N
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64510864	CC1=C(N=CC=C1)C(=O)N(C)CC2=NC=NN2
64510895	CC1=CC=CC(=N1)C(=O)N(C)CC2=NC=NN2
64511154	CN(CC1=NC=NN1)C(=O)C2=CC=C(C=C2)N
64511217	CC1=NC(=NN1)CN(C)C(=O)C2=CC=NC=C2
64511464	CN(CC1=NC=NN1)C(=O)CC2=CC=CC=N2
64511869	CN(CC1=NC=NN1)C(=O)CC2=CN=CC=C2
64512471	CN(CC1=NC=NN1)C(=O)NC2=CC=CC=C2
64512712	CN(CC1=NC=NN1)C(=O)C2=CC=CC=C2N
64512903	CN(CC1=NC=NN1)C(=O)C2=CC(=CC=C2)N
64516809	C1=CC(=CC=C1C(=O)NCCC2=NC=NN2)N
64516991	CN(CC1=NC=CN1)C(=O)C2=NC=CC(=C2)N
64517215	C1=CC(=NC=C1CN)C(=O)NCC2=NC=CN2
64517376	CN(CC1=NC=CN1)C(=O)C2=NC(=CC=C2)N
64517588	C1=CC(=C(C=C1N)N)C(=O)NCC2=NC=CN2
64517589	C1=CN=C(N1)CNC(=O)C2=CC(=CC(=C2)N)N
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64517765	CN(CC1=NC=CN1)C(=O)C2=C(N=CC=C2)N
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64518554	C1=CC(=CC(=C1)N)C(=O)NCCC2=NC=NN2
64518750	CC1=NC=C(C=C1C(=O)NCC2=NC=CN2)N
64519117	CN(CC1=NC=CN1)C(=O)C2=CN=C(C=C2)N
64519691	CN(CC1=NC=CN1)C(=O)C2=CC(=NC=C2)N
64523208	CNC1=NC=CC(=C1)C(=O)NCC2=NC=CN2
64523316	CC1=NC(=CC=C1)CNC(=O)C2=CC(=NN2)N
64523404	CNC1=NC=C(C=C1)C(=O)NCC2=NC=CN2
64523415	C1=CC(=CC=C1C(=O)NCC2=NC=CN2)NN
64523600	CNC1=C(C=CC=N1)C(=O)NCC2=NC=CN2
64523609	C1=CC=C(C(=C1)C(=O)NCC2=NC=CN2)NN
64523995	CNC1=CC=CC(=N1)C(=O)NCC2=NC=CN2
64524029	CN(CC1=CN=CC=C1)C(=O)C2=CC(=NN2)N
64524030	CN(CC1=CC=NC=C1)C(=O)C2=CC(=NN2)N
64524224	CN(CC1=CC=CC=N1)C(=O)C2=CC(=NN2)N
64524290	CC1=NC=C(C=C1)CNC(=O)C2=CC(=NN2)N
64525205	C1=CC=NC(=C1)CCNC(=O)C2=CC(=NN2)N
64525478	CC1=C(N=CC=C1)CNC(=O)C2=CC(=NN2)N
64525766	CNC1=CC=C(C=C1)C(=O)NCC2=NC=NN2
64525803	CC(C1=CN=CC=C1)NC(=O)C2=CC(=NN2)N
64525804	CC(C1=CC=NC=C1)NC(=O)C2=CC(=NN2)N
64525809	C1=CC(=CN=C1)CCNC(=O)C2=CC(=NN2)N
64525811	C1=CN=CC=C1CCNC(=O)C2=CC(=NN2)N
64525969	CNC1=CC(=NC=C1)C(=O)NCC2=NC=CN2
64526004	CC(C1=CC=CC=N1)NC(=O)C2=CC(=NN2)N
64529607	C1=CC(=CN=C1)CC(=O)NCCC2=NC=NN2
64530487	CNC(=O)C1=NC=CC(=C1)NCC2=NC=CN2
64530998	C1=CC(=CC(=C1)NC(=O)NCC2=NC=CN2)N
64531183	C1=CC(=CC=C1N)NC(=O)NCC2=NC=CN2
64532048	C1=CC=C(C=C1)NC(=O)NCCC2=NC=NN2
64532272	C1CC1N2C=CN=C(C2=O)NCC3=NC=CN3
64538933	C1=CC=C(C=C1)C(CN2C=NC=N2)/C(=N/O)/N
64545927	C1=CC(=C(C=C1C(=O)N)N)NCC2=NC=CN2
64546281	C1=CC=NC(=C1)C(=O)NCCCC2=NC=NN2
64546454	CC1=CC=CC(=N1)C(=O)NCCC2=NC=NN2
64546909	C1=CC(=C(C=C1N)NCC2=NC=CN2)C(=O)N
64547603	C1=CC=NC(=C1)CC(=O)NCCC2=NC=NN2
64547693	C1=CC(=C(C=C1C(=O)N)NCC2=NC=CN2)N
64547955	C1=CN=CC=C1CC(=O)NCCC2=NC=NN2
64548093	C1=CN=CC=C1C(=O)NCCCC2=NC=NN2
64548170	CC1=C(N=CC=C1)C(=O)NCCC2=NC=NN2
64548377	CC1=NC=C(C=C1)C(=O)NCCC2=NC=NN2
64548665	C1=CC(=CN=C1)C(=O)NCCCC2=NC=NN2
64566087	C1=CC=C(C=C1)C(CN2C=NC=N2)C(=O)NN
64577849	C1CN2C=NN=C2CN1C3=NC=CC(=C3)CO
64578041	C1CN2C=NN=C2CN1C3=CC(=NC=C3)CO
64578042	C1CN2C=NN=C2CN1C3=C(C=CC=N3)CO
64578433	C1CN2C=NN=C2CN1C3=CC=CC(=N3)CO
64578434	C1CN2C=NN=C2CN1C3=NC=C(C=C3)CO
64588080	CNC(=O)CNC1=NC=NC2=C1C=C(C=C2)N
64588673	CN(CC(=O)N)C1=NC=NC2=C1C=C(C=C2)N
64588802	CC1=C(C(=NN1C2=CC=CC(=N2)C(=O)N)C)N
64588875	CC(C(=O)N)NC1=NC=NC2=C1C=C(C=C2)N
64589675	C1=CC2=C(C=C1N)C(=NC=N2)NCCC(=O)N
64593796	CC1=C(N(C=N1)C2=CC=C/C(=C(/N)\N=O)/N2)C
64594372	CC1=CC(=NN1C2=CC=C/C(=C(/N)\N=O)/N2)C
64595549	CCC1=NC=CN1C2=CC=C/C(=C(/N)\N=O)/N2
64667197	CN1CC(CCC1=O)NC2=NC=CN=C2C#N
64667595	CN1CC(CCC1=O)NC2=NC=C(N=C2)C#N
64669473	CC(C1CC1)(C2=NC(=NO2)C3=NC=CC=N3)N
64669880	CC(C1CC1)(C2=NC(=NO2)C3=NC=CN=C3)N
64681309	CN1CCN(CC1=O)C2=NC=C(C=C2C#N)N
64780286	C1=CC(=C(N=C1)CN)CN2C=C(C=N2)C(=O)N
64780358	CN(C)C(=O)C1=NN(C=C1)C2=C(C=NC=C2)N
64780363	CNC(=O)C1=NN(C=C1)C2=CC=CC(=N2)CN
64780549	CC1=C(C(=NC=C1)N2C=CC(=N2)C(=O)NC)N
64780670	C1=CC=NC(=C1)C(CN)N2C=C(C=N2)C(=O)N
64780672	C1=CN=C(C=C1CN2C=C(C=N2)C(=O)N)CN
64780744	CN(C)C(=O)C1=NN(C=C1)C2=NC=C(C=C2)N
64780751	CNC(=O)C1=NN(C=C1)C2=NC=C(C=C2)CN
64780942	CNC(=O)C1=NN(C=C1)C2=CC(=NC=C2)CN
64781136	CNC(=O)C1=NN(C=C1)C2=NC=CC(=C2)CN
64781240	C1=CN=CC=C1C(CN)N2C=C(C=N2)C(=O)N
64781315	CC1=CC(=CN=C1N2C=CC(=N2)C(=O)NC)N
64781510	CN(C)C(=O)C1=NN(C=C1)C2=C(C=CC=N2)N
64782152	CC1=NC(=C(C=C1)CN)N2C=C(C=N2)C(=O)N
64782376	C1=CC(=CN=C1)C(CN)N2C=C(C=N2)C(=O)N
64782461	CC1=NC(=C(C=C1)CN)N2C=CC(=N2)C(=O)N
64782641	CN(C)C(=O)C1=NN(C=C1)C2=NC=CC(=C2)N
64783018	CNC(=O)C1=NN(C=C1)C2=C(C=CC=N2)CN
65199270	CN1C=CC(=N1)C2=NC(=O)C3=C(N2)NCCC3
65199271	CN1C=C(C=N1)C2=NC(=O)C3=C(N2)NCCC3
65231942	C1=CC(=C(N=C1)NCCC2=CN=CN2)C(=O)N
65232553	C1=CN=C(C=C1NCCC2=CN=CN2)C(=O)N
65236251	C1=CC(=NC(=C1)N)C(=O)NCCC2=CN=CN2
65236252	C1=CC(=C(N=C1)N)C(=O)NCCC2=CN=CN2
65236592	C1=CN=C(C=C1N)C(=O)NCCC2=CN=CN2
65236990	C1=CN=C(C=C1C(=O)NCCC2=CN=CN2)N
65249895	C1C(CN1CN2C(=O)C3=CC=CC=C3N=N2)N
65249902	C1C(CN1CC2=NC(=NO2)C3=CC=CC=N3)N
65336718	CC(C(=O)N)NC1=NC=NC2=C1C=CC(=C2)N
65336768	C1=CC2=C(C=C1N)N=CN=C2NCCC(=O)N
65336911	CNC(=O)CNC1=NC=NC2=C1C=CC(=C2)N
65337055	CN(CC(=O)N)C1=NC=NC2=C1C=CC(=C2)N
65339900	COC1=C(C=C(C=C1)CN2C=NC=N2)C(=N)N
65354753	CN1C=C(C(=N1)C(=O)NCC2=CC=CC=N2)N
65354809	CN1C=C(C(=N1)C(=O)NCC2=CN=CC=C2)N
65354810	CN1C=C(C(=N1)C(=O)NCC2=CC=NC=C2)N
65355265	CC1=NC(=CC=C1)NC(=O)C2=NN(C=C2N)C
65355266	CC1=CN=C(C=C1)NC(=O)C2=NN(C=C2N)C
65355315	CC1=C(N=CC=C1)NC(=O)C2=NN(C=C2N)C
65355367	CN1C=C(C(=N1)C(=O)N(C)C2=CC=CC=N2)N
65355421	CC1=CC(=NC=C1)NC(=O)C2=NN(C=C2N)C
65355465	CC1=NC(=CC=C1)NC(=O)C2=C(C=NN2C)N
65355514	CC1=CN=C(C=C1)NC(=O)C2=C(C=NN2C)N
65355515	CC1=C(N=CC=C1)NC(=O)C2=C(C=NN2C)N
65355565	CN1C(=C(C=N1)N)C(=O)N(C)C2=CC=CC=N2
65355591	CN1C=C(C(=N1)C(=O)N(C)C2=CN=CC=C2)N
65355663	CC1=CC(=NC=C1)NC(=O)C2=C(C=NN2C)N
65355706	CN1C(=C(C=N1)N)C(=O)NCC2=CC=CC=N2
65355789	CC1=C(C=CN=C1)NC(=O)C2=NN(C=C2N)C
65355865	CN1C(=C(C=N1)N)C(=O)NCC2=CN=CC=C2
65355911	CN1C(=C(C=N1)N)C(=O)NCC2=CC=NC=C2
65356238	CC1=C(C=NC=C1)NC(=O)C2=NN(C=C2N)C
65357077	CCN1C(=C(C=N1)N)C(=O)NC2=CC=CC=N2
65357175	CCN1C(=C(C=N1)N)C(=O)NC2=CN=CC=C2
65357225	CCN1C(=C(C=N1)N)C(=O)NC2=CC=NC=C2
65358544	CCN1C=C(C(=N1)C(=O)NC2=CN=CC=C2)N
65358593	CCN1C=C(C(=N1)C(=O)NC2=CC=NC=C2)N
65359267	CCN1C=C(C(=N1)C(=O)NC2=CC=CC=N2)N
65359375	CC1=C(C=NC=C1)NC(=O)C2=C(C=NN2C)N
65359476	CN1C(=C(C=N1)N)C(=O)N(C)C2=CN=CC=C2
65359712	CC1=C(C=CN=C1)NC(=O)C2=C(C=NN2C)N
65360158	CN1C(=C(C=N1)C(=O)CC2=C(C=CN=C2)N)N
65360479	CN1C(=C(C=N1)C(=O)CC2=C(N=CC=C2)N)N
65360703	CC1=CN=C(C(=C1)C(=O)C2=C(N(N=C2)C)N)N
65360814	CN1C(=C(C=N1)C(=O)CC2=CC(=NC=C2)N)N
65360863	CC1=C(C(=NC=C1)N)C(=O)C2=C(N(N=C2)C)N
65361155	C1CNC(=O)CN(C1)C2=NC=C(C=C2C#N)N
65464706	C1CC1(C(=O)NCC2=NN=C3N2C=CC=C3)N
65547122	C1COCC(N1)C2=NC=C(N2)C3=NC=CN=C3
65563294	CC1=CN=CC(=C1)C(=O)N(C)CC2=NC=NN2
65563491	CC1=CN=CC(=C1)C(=O)NCCC2=NC=NN2
65601291	CN1C(=NC=N1)CNC2=CC=C(C=C2)C(=O)N
65601968	CN1C(=NC=N1)COC2=CC=CC(=C2)C(=N)N
65602176	CN1C(=NC=N1)COC2=CC=C(C=C2)C(=N)N
65602177	CN1C(=NC=N1)COC2=CC=CC=C2C(=N)N
65604171	CCCN1C(=NC=N1)CC(=O)C2=NC=CN=C2
65604369	CC(C)N1C(=NC=N1)CC(=O)C2=NC=CN=C2
65604570	CCCN1C(=NC=N1)CC(=O)C2=NC=CC=N2
65604571	CC(C)N1C(=NC=N1)CC(=O)C2=NC=CC=N2
65604790	CCCN1C(=NC=N1)CC(=O)C2=NC=NC=C2
65604985	CC(C)N1C(=NC=N1)CC(=O)C2=NC=NC=C2
65642774	CCOC1=NC(=NC(=N1)N)CC2=CC=NC=C2
65643151	C1CCN(C1)C2=NC(=NC(=N2)C3=COC=C3)N
65643756	CCOC1=NC(=NC(=N1)N)C2=CN=C(C=C2)C
65643897	CC(C)OC1=NC(=NC(=N1)N)C2=CC=NC=C2
65644362	CC(C)OC1=NC(=NC(=N1)N)C2=CC=CC=N2
65644373	C1CCN(C1)C2=NC(=NC(=N2)C3=CC=CO3)N
65644399	CCOC1=NC(=NC(=N1)N)CC2=CC=CC=N2
65644504	CCCOC1=NC(=NC(=N1)N)C2=CC=NC=C2
65644952	CCCOC1=NC(=NC(=N1)N)C2=CC=CC=N2
65645085	C1CN(C(CN1)C(=O)N)C2=NC=C(C=C2)C#N
65646061	C1CN(C(CN1)C(=O)N)C2=C(C=CC=N2)C#N
65646842	C1CN(C(CN1)C(=O)N)C2=CC(=NC=C2)C#N
65647210	CC(C)OC1=NC(=NC(=N1)N)C2=CN=CC=C2
65647232	C1CN(C(CN1)C(=O)N)C2=NC=CC(=C2)C#N
65647236	C1CN(C(CN1)C(=O)N)C2=CC=CC(=N2)C#N
65647403	CCCOC1=NC(=NC(=N1)N)C2=CN=CC=C2
65674192	CCNC1=NC(=NC(=N1)C2=CC=NC=C2)OC
65674793	CCOC1=NC(=NC(=N1)NC)C2=CC=NC=C2
65674877	CNC1=NC(=NC(=N1)CC2=CC=CC=N2)OC
65675348	CCNC1=NC(=NC(=N1)C2=CN=CC=C2)OC
65675838	CCNC1=NC(=NC(=N1)C2=CC=CC=N2)OC
65676148	CCOC1=NC(=NC(=N1)NC)C2=CN=CC=C2
65676439	CCOC1=NC(=NC(=N1)NC)C2=CC=CC=N2
65676677	CNC1=NC(=NC(=N1)CC2=CC=NC=C2)OC
65677035	CC1=NC=C(C=C1)C2=NC(=NC(=N2)OC)NC
65677283	CNC1=NC=CC(=C1)C(=O)NCC2=CN=CN2
65677436	C1=CC(=CC=C1N)NC(=O)NCC2=CN=CN2
65677638	C1=CC(=CC(=C1)NC(=O)NCC2=CN=CN2)N
65677685	CNC1=CC(=NC=C1)C(=O)NCC2=CN=CN2
65677771	C1=CC(=NC=C1CN)C(=O)NCC2=CN=CN2
65677892	CNC1=CC=CC(=N1)C(=O)NCC2=CN=CN2
65677904	CN1C=C(C=N1)/C=C/C(=O)NCC2=CN=CN2
65678096	C1=CC=C(C(=C1)C(=O)NCC2=CN=CN2)NN
65678491	CNC1=C(C=CC=N1)C(=O)NCC2=CN=CN2
65678587	CC1=NC=C(C=C1C(=O)NCC2=CN=CN2)N
65678793	C1=C(C=C(C=C1N)N)C(=O)NCC2=CN=CN2
65678894	CNC1=NC=C(C=C1)C(=O)NCC2=CN=CN2
65679220	C1=CC(=C(C=C1N)NCC2=CN=CN2)C(=O)N
65679305	C1=CC(=CC=C1C(=O)NCC2=CN=CN2)NN
65679834	C1=CC(=C(C=C1C(=O)N)N)NCC2=CN=CN2
65679886	C1CC1N2C=CN=C(C2=O)NCC3=CN=CN3
65679939	CN1C(=CC=N1)/C=C/C(=O)NCC2=CN=CN2
65680248	C1=CC(=C(C=C1C(=O)N)NCC2=CN=CN2)N
65680294	CNC(=O)C1=NC=CC(=C1)NCC2=CN=CN2
65680428	C1=CC(=C(C=C1N)N)C(=O)NCC2=CN=CN2
65810002	CN1C(=NN=N1)OC2=C(C=C(C=C2)N)CC=C
65934974	C1CC1C2(CN(C2)C3=NC=CN4C3=NN=C4)O
65937801	C1CC1C2(CN(C2)C3=NC=NC4=C3NC=N4)O
65947622	C1=CC=C(C=C1)NC(=O)C2=CN(N=N2)CCN
65952440	CC1(CN(C1)C2=NN=NN2C3=CC=CC=C3)O
65965163	C1C(CN1)C(=O)NCC2=NN=C3N2C=CC=C3
65972077	C1C(CC1O)NC2=NN=NN2C3=CC=CC=C3
65977885	C1CNCC1CC2=NC(=NO2)C3=NC=CC=N3
65978281	C1CNCC1CC2=NC(=NO2)C3=NC=CN=C3
65982668	C1C(CC1OC2=NN=NN2C3=CC=CC=C3)N
65994034	C1C(CN1C2=NN=NN2C3=CC=CC=C3)CO
66031392	C1CC(CC1C2=NC(=NO2)C3=NC=CC=N3)N
66031792	C1CC(CC1C2=NC(=NO2)C3=NC=CN=C3)N
66120251	CC1=NN(C(=C1N)C(=O)NC2=CC=CC=N2)C
66120642	CC1=NN(C(=C1N)C(=O)NC2=CN=CC=C2)C
66120845	CC1=NN(C(=C1N)C(=O)NC2=CC=NC=C2)C
66121628	CCC1=NN(C(=C1)C2=NC(=C(O2)N)C#N)CC
66127529	CC1=NN(C(=C1)C(=O)NC2=NC=C(C=C2)N)C
66128426	CC1=NN(C(=C1)C(=O)NC2=CN=C(C=C2)N)C
66128595	CC1=NN(C(=C1)C(=O)NC2=C(C=NC=C2)N)C
66189085	C1=CC(=CC(=C1)O)C(C#N)NCCCN=[N+]=[N-]
66189383	COC1=CC=CC(=C1)C(C#N)NCCN=[N+]=[N-]
66189779	COC1=CC=C(C=C1)C(C#N)NCCN=[N+]=[N-]
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66191060	C1=CC(=CC=C1C(C#N)NCCCN=[N+]=[N-])O
66212091	C1COC2C1C(C2NC3=NC=C(N=C3)C#N)N
66212868	C1COC2C1C(C2NC3=NC=CN=C3C#N)N
66271479	CC1=C(C=NC=C1)C2=NC(=NC(=N2)OC)NC
66273257	CC(C)(CCN1C(=O)N2C=CN=CC2=N1)C#N
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66276895	C1COC2=CC=CC=C2C1NC3=NNC(=N3)N
66277114	C1COC2=CC=CC=C2CN1C3=NNC(=N3)N
66277728	C1C(OC2=CC=CC=C21)CNC3=NNC(=N3)N
66278848	CC1=C(C=CN=C1)C2=NC(=NC(=N2)OC)NC
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29021653	C1CN2C3=CC=CC=C3NC2=[N+](C1)CC(=O)[O-]
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34175426	CC1=NC2=CC=CC=C2C(=N1)N[C@H](C)C(=O)O
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43546991	CC1=C(C(=NN1)C)NC(=O)C2=CC=CC=C2O
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43600004	CC1=C(C(=NO1)C)C(=O)NC2=CC=CC=C2N
43600876	CNCC1=CC=CC=C1NC(=O)C2=CC=NO2
43601789	CNCC1=CC(=CC=C1)NC(=O)C2=CC=NO2
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43636289	C1CC1N2C(=O)CC(C2=O)NC3=CC=NC=C3
43642194	COC1=CC=CC(=C1)NC(=O)C2=CC(=CN2)N
43642224	COC1=CC=C(C=C1)NC(=O)C2=CC(=CN2)N
43642659	COC1=CC=CC=C1NC(=O)C2=CC(=CN2)N
43649211	C1COC2=C(O1)C=CC(=C2)C3=CN=C(N3)CN
43649825	CC(C1=NC=C(N1)C2=CC3=C(C=C2)OCO3)N
43650908	C1OC2=C(O1)C=C(C=C2)C3=CN=C(N3)CCN
43651426	CNCC1=NC=C(N1)C2=CC3=C(C=C2)OCO3
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43662321	C1COC2=C(O1)C=CC(=C2)NCC3=CC=NN3
43662399	C1OC2=C(O1)C=C(C=C2)CNCC3=CC=NN3
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43664857	CN1C(=CC=N1)C(=O)N(C)C2=CC=C(C=C2)O
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43670671	CCC1=C(NN=C1N)C2=CC3=C(C=C2)OCO3
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43723466	C1CC1CNC2=CC3=C(C=C2)NC(=O)C(=O)N3
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43789506	CC(=O)C1=CC(=C(C=C1)OC)CN2C=NC=N2
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43804550	CC1=NC(=NO1)C(C2=CC3=C(C=C2)OCC3)N
43809554	COC(=O)CNC1=C(C2=C(C=C1)N=CC=C2)N
43809955	CCCNC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]
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43822395	CC1=CC=C(N1NC2=CC=C(C=C2)[N+](=O)[O-])C
43825746	C1COC(=O)C1NCC2=CN3C=CC=CC3=N2
43827096	C1CN(C2=NC3=CC=CC=C3N2C1)CC(=O)O
43827097	COC(=O)CN1CCN2C1=NC3=CC=CC=C32
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43973114	CC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C
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44181027	C1CC(NC1)C2=NC3=CC=CC(=C3O2)C(=O)N
44181028	C1CC(NC1)C2=NC3=C(C=CC=C3O2)C(=O)N
44186672	CN1C(=CN=C1CCC2=CC=CC=C2)[N+](=O)[O-]
44222667	C1=CC=C(C=C1)CCC2=C(C(=O)NC(=O)N2)N
44297884	CCC1=CC(=CC=C1)NC2=CC(=O)NC(=O)N2
44319778	C1C[C@H]2[C@@H](C1)C(=NC3=C2C=CC(=C3)[N+](=O)[O-])N
44371620	COC(=O)NC1=NC2C(N1)CC3=CC=CC=C23
44374314	CC1=CC=C(C=C1)NC2=C(C(=O)NC(=O)N2)C
44379540	CC(=O)NC1=CC=CC(=C1)C2=NNC(=O)CC2
44382605	C/C(=C\C1=CC=C(N1)CN2C=CN=C2)/C(=O)O
44382650	CN1C=C(C=C1CN2C=CN=C2)/C=C/C(=O)O
44382653	CN1C(=CC=C1/C=C/C(=O)O)CN2C=CN=C2
44436423	COC(=O)C1CC2=C(CN1)NC3=C2C=CC=N3
44514985	CC1(C(=O)N=C2N1CC3=C(N2)C=CC(=C3)O)C
44544923	C1CC2=NC3=C(CN2[C@@H]1C(=O)O)C=C(C=C3)N
44545016	C1CC2=NC3=C(CN2[C@H]1C(=O)O)C=C(C=C3)N
44597879	CCOC(=O)C1=NN(C=C1N)C2=CC=CC=C2
44669821	CC(=O)N(CCC#N)N/C=C\1/C=CC=CC1=O
45102445	C1[C@@H](N=C(O1)N)CCOC2=CC=CC(=C2)C#N
45106445	CCC(=O)NCC1=NC(=NO1)C2=CC=CC=C2
45106452	C1CC1N2C(=NC3=C2N=CC=C3)CCC(=O)O
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45378921	CN(C)/C=C/1\CC(=O)NC2=C(C1=O)C=NC=C2
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45582881	C1CC1NC(=O)NC2=CC3=C(C=C2)NC(=O)C3
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45790765	CN(C)C1=CC=C(C=C1)C2=NNC(=C2)C(=O)O
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45793805	C/C=C/C=C/C(=O)NNC(=O)C1=CC=NC=C1
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45812943	CC(CC1=CC=CO1)NC(=O)C2=NC=CN=C2
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45828985	CC1=CC2=C(C=C1)N=CN(C2=O)CCC(=O)N
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45831946	CNC(=O)NCC1=CC(=NO1)C2=CC=CC=C2
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45842270	CN(C(=O)C1=CN=CN1C2=CC=CC=C2)OC
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46397883	CC1=CC2=C(C=C1)N(C=CC2=O)CC(=O)NN
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46739189	COC(=O)C1=C(NC(N=C1)N)C2=CC=CC=C2
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46832025	COC1CCC2=C1NN(C2=O)C3=CC=CC=N3
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47002330	CN1C=C(C=CC1=O)NC2=CN(C(=O)C=C2)C
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47014436	CN(CC1=CC=CO1)C(=O)NC2=CN=CC=C2
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47044700	CC(=C)CN1C(=O)C(=CN(C1=O)C2CC2)C#N
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47072004	C1=CC=C(C(=C1)CCC(=O)NC2=CC=NN2)O
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47099583	CC1=C(C(=NO1)C)C(=O)NCC2=CC=NC=C2
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57927478	CC1=NN(C(=O)N1C2=CC=CC=C2)CC3CO3
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58381058	CC1=C(C=CC(=C1)CN2C=C(N=C2)C)[N+](=O)[O-]
58426314	CC(=O)CN(CC(=O)C)/C=C/C=C(C#N)C#N
58454774	CN(C)C(=O)C1=NN(C(=O)C1)C2=CC=CC=C2
58482940	CC1=C(N(N=C1[N+](=O)[O-])CC2=CC=CC=C2)C
58571333	CNC1=NCC2=C1CN(C2)C(=O)C3=CC=CO3
58602256	CN1C=CC(NC1=O)NC(=O)C2=CC=CC=C2
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58626157	CCOC1=CC=C(C=C1)C2=CC(=O)N=C(N2)N
58649533	CC[C@@H](C(=O)C1=NC(=NO1)C2=CC=CC=C2)N
58656602	CCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)NC
58667117	CC1=C(C2=CC=CC=C2C(=C1)ON=[N+](C)[O-])N
58686889	CC1=C(C=CC2=C1CC[C@@H]2N)C3=NC(=O)ON3
58710664	CN1CCC(C1=O)N2C3=CC=CC=C3NC2=O
58710800	C1=CC(=CC=C1C(=O)CCCN2C=CN=N2)O
58787340	COC(=O)C1=NC(=CN1CC2=CC=CC=C2)N
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58789238	[C-]#[N+]C1=CC(=CC=C1)NC(=O)N2CC[C@@H](C2)O
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58854778	C1=COC(=C1)CNC(=O)C2=CC(=CC(=C2)N)N
58870298	C1=CC(=CC=C1CC=O)/C=C/C(=O)N=C(N)N
58877410	C1=CC(=CC=C1CC(C2=CN=CN2)C(=O)O)N
58897694	C1[C@H](CN[C@H]1C(=O)NC2=CC=C(C=C2)C#N)O
58975476	CCOC(=O)C1=C(NN=C1)C2=C(C=CC=N2)C
58977180	CC(C)N1C=CC(=N1)C2=CC=CC=C2[N+](=O)[O-]
58994150	CC1=C(C=NC=C1)C2=CN=C(N=C2OC)OC
58994162	CC1=CC=CC(=N1)C2=CN=C(N=C2OC)OC
58994167	CC1=NC=C(C=C1)C2=CN=C(N=C2OC)OC
58999381	C=CC(=O)NC(CO)C1=NC2=CC=CC=C2N1
59017076	CC(=C)C(=O)OCCN1C2=CC=CC=C2N=N1
59020579	COC(=O)C1=C(C2=CC=CC=C2C1)N=C(N)N
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59173143	C1[C@@H](N=C(O1)N)CCOC2=CC=C(C=C2)C#N
59176701	CC1=C(C=CC(=C1)[N+](=O)[O-])/C(=C/N(C)C)/[N+]#[C-]
59185896	COC(C1=C2C=CC=NC2=CC=C1)C(=O)NN
59216290	COC1=CC=C(C=C1)C2(CC2)C3=NN=C(O3)N
59226955	CC(=O)N(C)C1=C(C=CC(=C1)C(=O)NC)[N+]#[C-]
59268941	[C-]#[N+]C1=CC=C(O1)C(=O)N2CC3CNCC3C2
59268954	[C-]#[N+]C1=C(OC=C1)C(=O)N2CC3CNCC3C2
59285915	COC1=CC=CC=C1C2=CC(=C(N2)N)C(=O)N
59285916	COC1=CC=CC(=C1)C2=CC(=C(N2)N)C(=O)N
59285920	COC1=CC=C(C=C1)C2=CC(=C(N2)N)C(=O)N
59298712	C1=CC(=CC(=C1)CNC2=C(C(=O)C2=O)N)CN
59334509	CCOC(=O)/C=C\C1=CC=CC2=NC(=NN21)C
59334534	CCOC(=O)C=CC1=CC=CN2C1=NC(=N2)C
59341177	CC1=CN=C(C=C1)N(C)C(=O)C2=NOC(=C2)C
59361674	C1[C@@H]2CN[C@H]1CN(C2)C(=O)C3=CC(=CO3)C#N
59362865	CCC(=O)NCC(=O)C1=CNC2=C1C=CC=N2
59363674	CC1=NC(=C(C=C1)N2C=CC(=N2)C)C(=O)OC
59389294	CCC1=NN2C(=CC=C(C2=C1)C=O)NC(=O)C
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59411225	CNC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)[N+]#[C-]
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59429926	CC1(CC(=NO1)C2=CC3=C(C=C2)C=NN3)CO
59448972	CC(=C1C(=O)N(N(C1=O)C2=CC=CC=N2)C)C
59455319	CC1=NC=C(/C(=C/2\NC=CC=N2)/C1=O)COC
59455354	CCOCC\1=CN=CC(=O)/C1=C\2/NC=CC=N2
59515719	C[C@H](C(=O)N)N1C=CC2=C(C1=O)C=CC=C2N
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59531741	CCOC(=O)C1=NNC(=N1)CC2=CC=CC=C2
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59587693	CCOC(=O)C1=C(C(=CC=C1)N2C=CN=C2)N
59596546	COC(=O)C1=C(C2=C(N1C3CC3)C=CN=C2)N
59604609	C1COC2=C(CN1)C=C(C=C2)C3=CN=C(O3)N
59687964	CC1=C(N(N=N1)CC2=CC=CC=C2)C(=O)OC
59696731	CCOC(=O)C1=CC2=CC=CC=C2N=C1NN
59808571	CCOC1=C(C=CC(=C1)C2=CN=CNC2=O)N
59827520	CC(=C)C(=O)OCCC1=CC=C(C=C1)N=[N+]=[N-]
59843441	CN1CCC2=C(C1)NC3=C2C=C(C=C3)[N+](=O)[O-]
59945950	CC1=CC2=C(N1CC(=O)O)C=C(C=C2)C(=N)N
59951514	CCOC(=O)/C(=C/NNC1=CC=CC=C1)/[N+]#[C-]
60010229	CC(=CC1=C(C=CC(=C1)[N+](=O)[O-])C#N)N(C)C
60015879	COC1=CC2=C(C=C1)NC3=C2CCN=C3NO
60057089	C=CNC(=O)C1=CC(=CC(=C1)N)C(=O)NC=C
60071532	CCC1=C/C(=C/C(=O)C2=CC(=NO2)C)/N=CN1
60087282	CC1=CC=C(C=C1)C2=CN(N=N2)CCC(=O)O
60090038	C=C1N2CCOCN2C(=O)N1C3=CC=CC=C3
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60136419	C1CC2C(=O)N(C(=O)N2C1)C3=CC=C(C=C3)N
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60167709	C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCN
60171280	CCCC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)N
60236130	CC1=C(N=C(O1)C2=CC=CO2)CN(C)CC#N
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60321429	C1CC(C1)C(=O)OCC2=CC3=NNN=C3C=C2
60324090	CC1(C(=O)N(C(=O)N1)CC=C)C2=CC=CC=N2
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60383712	CC1=CC(=NN1)NC(=O)C2=CC=CC=C2OC
60389627	CCONC(=O)C1=C(NN=C1)C2=CC=CC=C2
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60459401	COCC1=CC(=CC=C1)NC(=O)C2=CC=NN2
60483274	C1COCCN1C(=O)NC2=CC=CC=C2C#N
60537711	COC(=O)CNC1=CC=CC=C1N2C=CC=N2
60580106	CC1=C(C=C(C=C1)C(=O)NC2=CC=NN2)OC
60632043	COC(=O)CCNC1=NN=CC2=CC=CC=C21
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60656353	CCCNC(=O)C1=CC=C(C=C1)C2=NN=CO2
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60660143	CN(CC(=O)OC)C1=NN=CC2=CC=CC=C21
60665594	CN1C=C(C=N1)COC(=O)C2=CC(=CC=C2)N
60668567	CN1C=C(C2=CC=CC=C21)C(=O)NCC(=O)N
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57461243	C1=C(NC(=O)N=C1)N.O
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20177	C(C(=O)OC(=O)CN)N
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42016	CC(=O)OCN(C)N=O
49930	[2H]C([2H])([2H])N(COC(=O)C)N=O
59886	CC(=O)NOC(=O)NC
60167	CC(=O)N(C(=O)NC)O
69380	CCOC(=O)NC(=O)N
78719	COC(C(=O)N)C(=O)N
107887	C1COC(CN1N=O)O
124821	C(CO)N(CC=O)N=O
151519	CN(CCC(=O)O)N=O
165891	CCN(C(=O)OC)N=O
169156	C=O.C1NC(=O)NCO1
170434	CCN(CC(=O)O)N=O
179909	C(CNCN=O)C(=O)O
222878	C(CC(=O)O)C(=O)NN
295974	C(C(C(=O)N)O)C(=O)N
315697	CC(C(=O)O)N(C)N=O
352913	C(C(C(=O)N)N)C(=O)O
426409	CC(C(=O)O)NC(=O)N
439375	CN(CC(=O)O)C(=O)N
439600	C([C@H](C(=O)O)N)C(=O)N
1535935	C[C@H](C(=O)O)NC(=O)N
1535936	C[C@@H](C(=O)O)NC(=O)N
1548897	C(C(=O)NCC(=O)[O-])[NH3+]
2733808	CN/C(=C/[N+](=O)[O-])/OC
2735050	C(C(=O)CNC(=O)O)N
2786935	CCOC(=O)C(=O)NN
3016235	CNC(=O)OCOC=N
3023814	COC1C(NC(=O)N1)O
3082902	COCC(=O)NC(=O)N
3758565	CNC(=C[N+](=O)[O-])OC
4142809	C(C(=O)N)OCC(=O)N
5247114	C(C(C(=O)[O-])[NH3+])C(=O)N
5249043	C(CO)NC(=O)C(=O)N
5363199	CC(=O)OC/N=[N+](/C)\[O-]
5914877	CN/C(=C\[N+](=O)[O-])/OC
5964719	CC(=O)OC/N=[N+](\C)/[O-]
6411350	CCOC(=O)/C(=N\O)/N
6785548	CCOC(=O)C(=NO)N
6991971	C([C@H](C(=O)[O-])[NH3+])C(=O)N
6992089	C([C@@H](C(=O)[O-])[NH3+])C(=O)N
6993154	C([C@H](C(=O)N)[NH3+])C(=O)[O-]
6993155	C([C@H](C(=O)N)N)C(=O)O
7015701	C([C@@H](C(=O)N)[NH3+])C(=O)[O-]
7015702	C([C@@H](C(=O)N)N)C(=O)O
9589469	C(/C=N/O)[C@H](/C=N/O)O
9614369	CCOC(=O)/C(=N/O)/N
9904561	C1C(C(C(=O)N1O)N)O
10057546	C(CO)NC(=O)/C=N/O
10103213	[2H]C1(CN(CCO1)N=O)O
10240847	[2H]C(=O)CN(CCO)N=O
10351738	[2H]C1(COC(CN1N=O)O)[2H]
10374503	C1COC(CN1[15N]=O)O
10630540	[2H]C([2H])(C(=O)O)C([2H])([2H])NC(=O)N
10749219	C1CN(C(=O)N(C1)O)O
10749220	C(C[N+](=O)[O-])C(=O)CN
10820560	C1C(=NC(O1)(CO)O)N
11073454	C1CC(=O)N(C1=O)O.N
11126295	CN(C)C(=O)/C=[N+](/O)\[O-]
11819113	C(C(=O)N)NCC(=O)O
12222423	CN(CC(=O)OC)N=O
12274451	CCN(C(=O)C)[N+](=O)[O-]
12295285	CN(C(=O)N)C(=O)OC
12538242	C(CO)N=C(C(=O)O)N
12917978	CO/C(=N/C(=O)OC)/N
12956053	CNC(=O)NC(=O)OC
13017763	CO/C(=N\C(=O)OC)/N
13041226	C(C(=O)C(C(=O)O)N)N
13262631	CC(=O)CN(C)[N+](=O)[O-]
13572150	COC(=O)CNC(=O)N
13582216	CC1(C(NC(=O)N1)O)O
13582217	C[C@]1([C@H](NC(=O)N1)O)O
13685598	C=CC(=O)O.C(=O)(N)N
13869311	CC(=O)NNC(=O)OC
14171644	C1C(C(CO1)[N+](=O)[O-])N
14171646	C1[C@@H]([C@H](CO1)[N+](=O)[O-])N
14364366	CN(C)C(=O)C[N+](=O)[O-]
14399662	CC(=O)NOCC(=O)N
15037334	COC(=O)NCOC=N
15177828	C1[C@H]([C@H](C(=O)N1O)N)O
15354231	CN1C(C(NC1=O)O)O
15893242	CC1CN(CO1)[N+](=O)[O-]
15893244	C1CN(COC1)[N+](=O)[O-]
16213309	C([C@@H](C(=O)O)N)C(=O)[15NH2]
16213311	C([C@@H](C(=O)O)[15NH2])C(=O)[15NH2]
16213450	C([C@@H](C(=O)O)[15NH2])C(=O)N
16217343	C([C@@H](C(=O)O)N)[13C](=O)N
16217399	[13CH2]([13C@@H]([13C](=O)O)N)[13C](=O)N
16217568	[13CH2]([13C@@H]([13C](=O)O)[15NH2])[13C](=O)[15NH2]
16217723	[2H][13C@@]([13C](=O)O[2H])([13C]([2H])([2H])[13C](=O)[15N]([2H])[2H])[15N]([2H])[2H]
16217724	[2H][C@@](C(=O)O[2H])(C([2H])([2H])C(=O)[15N]([2H])[2H])[15N]([2H])[2H]
16786632	CNC(=O)NCC(=O)O
17908625	C(C(=O)O)C(C=O)(N)N
17988585	C(C(=O)N)NC(=O)CO
18360060	C1CN(OC1)C(=O)NO
18364593	CCNNC(=O)C(=O)O
18381240	C(CC(=O)NO)C(=O)N
18448831	C(COC(=O)N)C(=O)N
18704637	CC(=O)NN(C)C(=O)O
19018303	C=NC(=O)N(CO)CO
19361895	C1COCC(N1)[N+](=O)[O-]
19435839	CC1CN(C(=O)N1O)O
19591696	C1CN(C(=O)N1CO)O
19767944	C1COC(N1)C[N+](=O)[O-]
19781399	CCOC(=O)NCN=O
20403411	C(NC=O)OCNC=O
20521409	CNC(=O)N(C)C(=O)O
20577498	CNC(=O)CC[N+](=O)[O-]
20596871	COC(=O)NC(=O)CN
20608099	C1C(NC(=O)N1)COO
20674173	COC(=O)NCNC=O
20735727	CC(C)(C=O)N=[N+](O)[O-]
20975576	CC(C)(N=O)OC(=O)N
20975577	CC(CN=O)OC(=O)N
20975578	CC(C)OC(=O)NN=O
20978522	CNC(C(=O)N)C(=O)O
21122449	C1=C(N(ON1)CO)CO
21278652	CCON(C(=O)C=O)N
21481980	C1CN(C(=O)N1)C(O)O
21538401	C(C(=NC(=O)N)CO)O
21540573	CC(=O)NC(=O)NCO
21721263	COC(=O)NCC(=O)N
21783068	CCOC(=N)C[N+](=O)[O-]
21796810	C1[C@H](C(CO1)[N+](=O)[O-])N
21863034	C=O.C1CN(C(=O)N1)O
21900391	C1COC=N1.C(=O)(N)O
21981404	CC(=O)NC(C(=O)O)N
22081256	CN(C)C(=O)C(=O)NO
22179134	COC(=NC(=O)N)OC
22182324	C1NC(=O)NC(O1)CO
22242610	CC(=O)OC[N+](=NC)[O-]
22242931	CN(CC(=O)N)C(=O)O
22370937	C1C(C(=O)NN1)C(O)O
22418529	CN(C)C(=O)NC(=O)O
22462394	C1=C(ONC1=O)CN.O
22506005	CC(C(=O)N)NC(=O)O
22643698	CC(NC(=O)C(=O)N)O
22744090	CCO/C(=N/O)/C(=O)N
23019763	CC(=O)OCCNN=O
23171574	CC(=O)NNCC(=O)O
23171612	C1CN=CN1.C(=O)(O)O
23238836	CC(=O)C/[N+](=N/OC)/[O-]
23461881	CC(C(=O)NC(=O)N)O
23557371	CC(C)(C=O)N=NOO
23617150	CC(N=O)N(C)C(=O)O
23621124	CNCOC(=O)CN=O
23621125	CC(NN=O)OC(=O)C
28897654	C(C(=O)N)[NH2+]CC(=O)[O-]
29929784	C1COC[C@H](N1N=O)O
29929788	C1COC[C@@H](N1N=O)O
43558797	CC(=O)NNC(=O)CO
43558830	C(CO)C(=O)NC(=O)N
43558898	CNC(=O)NC(=O)CO
44279882	C1NC(C(=O)N1O)CO
44377616	C1[C@@H]([C@H](C(=O)N1O)N)O
45040115	[2H]C([2H])([2H])N(CCC(=O)O)N=O
45086596	C[C@](C(=O)N)(C(=O)O)N
45358219	C1COCC(N1N=O)O
45926634	C1CNC(=O)C(=O)N1.O
50851164	C([C@@H](C(=O)N)O)C(=O)N
53429793	COC(=NC(=O)OC)N
53435580	C1COC(CN1)[N+](=O)[O-]
53447272	COC(=C[N+](=O)[O-])CN
53795892	C1CNC(OC1)[N+](=O)[O-]
53817434	CCC(C[N+](=O)[O-])N=O
53884071	COC(=O)CC(=O)NN
53894286	CN(COC=N)C(=O)O
54092535	C1C(NC(=O)N1CO)O
54240348	CC(=NNO)OC(=O)C
54271683	CCN(C(=O)N)C(=O)O
54282080	C1COC(O1)NC(=O)N
54290045	CCOC(=O)N=CNO
54432822	CC(=O)NONC(=O)C
54474817	CCOC(=O)C=NON
54484684	CN(CCN=O)C(=O)O
54505209	CNC(=O)NC.C(=O)=O
54515354	[2H]C([2H])(C(=O)NC([2H])([2H])C(=O)O)N
55208445	CC(=O)NCC(=O)NO
55255187	CN(C(=O)CC(=O)O)N
55281510	CC(C(=O)N)(C(=O)N)O
55281739	CC(C)(C(=O)N)[N+](=O)[O-]
55283744	C/C(=N/OC(=O)OC)/N
55286352	CCNC(=O)C(=O)NO
55286539	C[C@@]1([C@@H](NC(=O)N1)O)O
55290728	C(C(=O)OCC(=O)N)N
55291181	CCONC(=O)C(=O)N
55291481	CC(C(=O)N)(C(=O)O)N
55291551	C(CN)/C(=N/O)/C(=O)O
55299037	CCOC(=O)/N=C/NO
55300334	C[C@@H](C(=O)O)N(C)N=O
55302725	CCC(C(=O)O)NN=O
57001457	CC(=C(C)N=O)NOO
57053413	CC(=O)N(C(=O)OC)N
57065841	C(CO)C=NC(=O)ON
57073487	CC(C(=O)OC(=O)N)N
57133496	COC(=O)C(C(=O)N)N
57157347	CC1CNOC(=O)ON1
57171980	C(CC(=O)ON)C(=O)N
57212229	CC(N=O)OC(C)N=O
57313388	C[C@@H](C(=O)OC(=O)N)N
57324165	C1COCCN1ON=O
57387487	CC(=O)NCC[N+](=O)[O-]
57397105	C1=C(ON=C1[O-])C[NH3+].O
57443373	CN(C)CC(=O)ON=O
57452719	CC(=O)NOC(=O)CN
57469457	C(CN)C(=O)OC(=O)N
57481905	CON(CC(=O)N)C=O
57484551	CNCC(=O)OC(=O)N
57598150	CNC(=O)CC(=O)NO
57672756	COC(=O)C/C(=N/O)/N
57863314	CNC(=O)C(=O)NOC
58203004	[2H]N[C@@H](CC(=O)N[2H])C(=O)O
58280754	CC(=O)C(NC(=O)N)O
58331316	C=NNC(=O)OCCO
58729863	COCOC(=O)NN=C
59016138	CNC(=O)OCC(=O)N
59083868	CCN(N=O)OC(=O)C
59104128	CC1C(N(ON1[O-])[O-])C
59797265	CC(=O)OCC(=O)NN
59834058	CC(=O)NCNC(=O)O
59929041	C[C@@H](C(=O)N)NC(=O)O
59955262	C/C(=N\OC)/C(=O)NO
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66814352	C[C@H](C(=O)N)NC(=O)O
67096468	C1C(NC(=O)N1)C(O)O
67224318	C1COC(N1)OC(=O)N
67628908	C1=C[N+](=CC=N1)[O-].O.O
67681212	C1C(CO1)OC(=O)NN
67969798	C1N(C(=O)N1CO)CO
68626075	C1=COC(N1)N.C(=O)O
68626609	C1COC(=N1)N.C(=O)O
68880931	C1CNNC1OC(=O)O
68902406	C1CN(C1)C([N+](=O)[O-])O
69104206	CC1=C(NON1O)CO
69104209	CC1C(=NON1O)CO
69124408	C1COC(N1)NC(=O)O
69304480	C(C1C(NC(=O)N1)O)O
69329394	C1CC(NC1[N+](=O)[O-])O
69396268	C1COC(=O)N1.C(=O)N
69723985	C=O.C1C(NC(=O)N1)O
69940606	CN1C(=O)C(CN1)(O)O
69940644	CC1C(C(=O)NN1)(O)O
69940650	CN1CC(C(=O)N1)(O)O
70272128	C1CNN[C@H]1OC(=O)O
70476841	C1=CON=N1.C(CO)O
70640654	C1C(C(OC1=O)O)NN
71309330	[2H][C@@](C(=O)O[2H])(C([2H])([2H])C(=O)N([2H])[2H])N([2H])[2H]
71309412	C(C(=O)[15NH]CC(=O)O)[15NH2]
71309816	[2H]C([2H])(C(=O)N([2H])C([2H])([2H])C(=O)O[2H])N([2H])[2H]
71309891	C([C@@H]([13C](=O)O)N)C(=O)N
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71354323	C1[C@@H]([C@@H](C(=O)N1O)N)O
71435520	CC(=O)C[N+](=NOC)[O-]
71442659	C([C@@H](C(=O)N)NC=O)O
71772907	CCOC(=O)/C=N/ON
72605813	CC(=NOC)C(=O)NO
25591	CCCN(C(=N[N+](=O)[O-])N)N=O
51363	CCCN(C(=NN=O)N)[N+](=O)[O-]
5211014	CC(=O)NCN=C(N)N[N+](=O)[O-]
6399788	C(=NO)C(=O)C=NO.C(=N)(N)N
9570280	CCCN(/C(=N/[N+](=O)[O-])/N)N=O
9570787	CCCN(/C(=N/N=O)/N)[N+](=O)[O-]
9614317	C(=N/O)\C(=O)/C=N/O.C(=N)(N)N
13492814	C(NC(=O)N)NC(=O)NC(=O)N
14858458	CON1CNC(=NC1)N[N+](=O)[O-]
21159587	C(C(=O)O)N/C(=C\[N+]#N)/[O-].NN
24195927	CCC(=O)N/N=C(\N)/N[N+](=O)[O-]
51051891	CCC1=NC(=NN1)N.[N+](=O)(O)[O-]
53421452	CC(NC(=O)N)N(C(=O)N)N=O
53926510	CCCN=C(N)N(N=O)[N+](=O)[O-]
55281101	C/C(=C(\C(=O)NN)/[N+](=O)[O-])/NN
67899812	C1(C(=O)NC(=O)N1)NC(=O)N.N
68409385	CCN1C=[N+](C=N1)N.[N+](=O)([O-])[O-]
68828683	CC[N+]1=NN(C=C1)N.[N+](=O)([O-])[O-]
69615920	C1(=C(N(N(C(=C1O)N)O)O)N)N
69615990	C1(=C(N(C(=C(N1O)N)O)O)N)N
69616093	C1(=C(N(N(C(=C1N)O)O)O)N)N
71382918	CC(=C(C(=O)NN)[N+](=O)[O-])NN
6857289	C(#N)NC(=O)C(=O)OC#N
11029910	C1=C(OC(=N1)C#N)[N+](=O)[O-]
14340767	C1(=C(NC(=O)C1=O)[O-])[N+]#N
21847334	C(=NC(N=C=O)N=C=O)=O
53944251	C12=NNN=C1C(=O)OC2=O
25831	C(CN=C(N)N)N=C(N)N
26029	CNC1=NC(=NC(=N1)N)N
52801	C1=CN=C(N=C1NN)NN
70487	C1(=C(N=C(N=C1N)N)N)N
70746	C1=NC2=NNN=C2C(=N1)N
74451	C1NNCN2N1CNNC2
222300	CN1C(=NC(=NC1=N)N)N
256253	C1=C(C=NN2C1=NN=N2)N
258108	C1=NC2=NC=NN2C(=N1)N
269749	C1=C(C2=NN=NN2N=C1)N
321082	C1=CC2=NN=NN2N=C1N
323225	CN1C(=NC#N)N(N=N1)C
339182	C1=C(N2C(=NN=N2)C=N1)N
353088	C(C1=NC(=NC(=N1)N)N)N
358026	CN=NNCCNN=NC
379822	CN(C)C=NC1=NNN=N1
391402	C1=NN=C(C2=NNN=C21)N
410956	C1=NC2=NN=NC2C(=N1)N
414284	C1=NC2C(=NN=NC2=N1)N
415393	C=NNC(=NN=C)NN=C
416158	C1=NC(=C(C(=N1)NN)N)N
585734	C1=NC(=NC2=NNN=C21)N
585785	C1=NN=CN1N2C=NN=C2
1201424	C1=C(N=CN=C1NN)NN
1240137	C1=NNC(=N1)N2C=NN=C2
1400805	CC1=NC2=NN=C(N2N1)N
1910919	C1=NC2=NN=C(N2N=C1)N
2782085	CC1=NC(=NC(=N1)NN)N
2794216	CCC1=NN=C(N1N)NN
3950744	CC(=NN1C(=NN=N1)N)C
4105650	CCC1=NC(=NN1)N=[N+]=[N-]
4228876	C(CC(=NN)N)C(=NN)N
4350770	C(C1=NN(C(=N1)C[NH3+])[NH3+])[NH3+]
4350771	C(C1=NN(C(=N1)CN)N)N
5131049	C1=C(N=C(N=C1N)NN)N
5200282	C1(=C(C(=NN=C1N)N)N)N
5480214	C1=NC2=C(N1)C(=NN=N2)N
5871395	CN(C)/C=N\C1=NNN=N1
6042642	C(/C(=N\N)/N)C/C(=N\N)/N
6370312	C(CN=C(N)N=C(N)N)N
6418261	CC1=NC(=CN=N1)N=[N+]=[N-]
6815044	CN(C)NN=C1N=CN=N1
6997889	CC(=C)NN1C(=NN=N1)N
9562688	CN(C)N/N=C/1\N=CN=N1
9571450	CN(C)/C=N/C1=NNN=N1
10240861	C1=CN=C(C(=N1)N)N=[N+]=[N-]
10396889	C1=NC(=C(N1)C#N)N=[N+]=[N-]
10630573	C1=C(N=C(N=C1NN)N)N
10796803	C12=C(N=C(N1)N)N=C(N2)N
11834678	CC1=NC(=CN=N1)N=[N+]=[N-]
12138196	C=C(CN=[N+]=[N-])CN=[N+]=[N-]
12475355	C1=NN2C=NC(=NC2=N1)N
12683027	C1=NNC(=N1)/N=C/NC#N
12693184	C1=CN2C(=NN=N2)C(=N1)N
13033500	C1=NC(=NC(=N1)NC#N)N
13328521	C(C#CCN=[N+]=[N-])N=[N+]=[N-]
13620964	C(CCN=[N+]=[N-])CN=[N+]=[N-]
13760803	CC(/C=C/N=[N+]=[N-])N=[N+]=[N-]
14001698	CN/N=C(\N)/C(=N/NC)/N
14221908	CC1C=NN2C(=N1)N=NN2
14221910	CC1CN=C2N=NNN2N1
14221911	CC1CNN2C(=N1)N=NN2
14642848	CC(=NNC1=NNN=N1)C
15083036	C#CCNN1C(=NN=N1)N
15111339	C(CN1N=C(N=N1)N)C#N
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15312200	C1=CC(=NN=C1NN)NN
16765278	C1=CN(N=C1)C2=NNN=N2
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56982222	C1CN(NN1)N2CCNN2
57010844	C(C(C(N)(N)N)N)C(N)N
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57855205	C1CNCC1[N+]2=NN=NN2
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59154325	C(C1=NN=C(N=N1)C[NH3+])[NH3+]
59154326	C(C1=NN=C(N=N1)CN)N
59646776	CN1C=C(N=N1)CN=[N+]=[N-]
59998662	CN1C2=NN=NC=C2N=N1
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60060439	C1=NC2=C(N=CN=N2)N=N1
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61808342	CN1C(=NN=N1)NCCN
62358798	C1=NNC(=N1)CN=C(N)N
63172930	CC(=NCC1=NNN=N1)N
65600330	CN1C(=NC=N1)CN=[N+]=[N-]
66523856	C.C.C1(=NC(=NN1)NN)N
66592610	C1=NC(=C2N=CN=N2)N=N1
66603320	CC1(N=C(NC(=N1)N)N)N
66959595	C1C(=C(N=C(N1N)N)N)N
67019247	C1=C(C(N(C(=N1)N)N)N)N
67100080	C1CCNNNNNNC1
67255823	C1C2=NN=NN2C=CN1N
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67516532	C1=NNN=C1.C1=NC=NN1
67701169	CCN1N=NN=NN1CC
67709910	CN1N=NN(N(N1C)C)C
67742100	C1=C(N=NC2=NNN=C21)N
67768254	C1NCN(N1)N2CN=CN2
67783435	C1=C2C(=CN(N=N2)N)N=N1
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68257607	C1=C2N=NNN2C(=C1N)N
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68520904	C1=CN=NC2=C1N=NN2N
68592524	C1=CN=C2C(=N1)N=NN=N2
68837793	CN(C(=N)N)N1C=NN=C1
68843672	CN1CN(CN(C1)NN)N
68866390	C1=CN=NN=C1N=C(N)N
69014823	C1=NNN=C1.C1=NN2C1=N2
69251894	C1=NNC2=C1N=NN=C2N
69254674	C1=C2N(C=N1)N=C(N2N)N
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69459203	C1=CN2C(=C(N=N2)N)N1N
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69459435	C1=NN2C=NN(C2=C1N)N
69459696	C1=CN(C2=NN=C(N21)N)N
69459812	CNN1C=NN2C1=NN=C2
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69461954	C1=NC(=C2N1N=CN2N)N
69461958	C1=C2N=CN([N+]2(C=N1)N)N
69462224	CNN1C2=CN=NN2C=N1
69493415	C1=NC2=NC=NN(C2=N1)N
69560863	C1CNNC1.C1=NNN=N1
69560864	C1CNN(C1)C2=NNN=N2
69776044	C1=CNNN1.C1=NNN=C1
70103229	C1=C2C(=NC=N1)N(N=N2)N
70223948	CC1=CN=NC2=NN=NN12
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70510222	C1=NC2=NNN=C2N=C1N
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70580464	C1CN(NN1)N2CNCN2
71338006	C(#N)N(C#N)N(C#N)C#N
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71417015	CN1CN(N=C1N=[N+]=[N-])C
71477188	C(CN)C1=NN=C(N=N1)N
72726068	CNN=C(C(=NNC)N)N
559	C(CC=O)CN=C(N)N
921	CN1C(CCNC1=O)N
12213	CCC(=NNC(=O)N)C
27826	CN1CCN(CC1)N=O
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427992	C1CNCCN(C1)N=O
548232	CCCC=NNC(=O)N
657517	C1CN=C(N1)NCCO
3019914	C1CNC(CN1)C(=O)N
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10774455	C1C(/C(=N/O)/CN1)CN
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13616147	C/C(=C(\C)/N=O)/NNC
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14274791	CN1CNCN(C1=O)C
14870145	CC(=NNC(=O)NC)C
15563583	CN(C)/C=N/N(C)C=O
15577657	C1CN(N=C1N)CCO
17941454	CC(C)C1=CNN(O1)N
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19806493	CN(C)N1CCNC1=O
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23135214	C1C2(CNN1)CNOC2
23498643	C1CN(CN1)CNC=O
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23619349	CN1CCNCC1N=O
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24865700	CC[C@](C)(CN=[N+]=[N-])O
25271589	C1[C@@H]([C@H](CN1)N)C(=O)N
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43164048	C1CC1CNC(=O)NN
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46782291	[2H]C([2H])([2H])N1CCN(CC1)N=O
46942243	CC1=C(N(ON1)C)CN
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53437529	CCCC(=O)N=CNN
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55286624	CN1CNC(=O)N(C1)C
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55287798	C=CCNCC(=O)NN
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55300987	C1COCCN=C(N1)N
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57021633	CNCCCC(=O)N=N
57038040	CN=C(N)NCCC=O
57058172	C1CC(NC1)(C(=N)N)O
57121247	C1CN(C=N1)NCCO
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57183046	CC(=NN)C(=NOC)C
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57210142	CCCC([N-][N+]#N)OC
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57307764	C1[C@@H](NCC1N)C(=O)N
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58112193	CNC(=O)CCC(=N)N
58307588	CC[C@@H]([C@H](C)N=[N+]=[N-])O
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58685043	CC(=O)N(C)/N=C/CN
58685059	CCC(=O)N/N=C/CN
58685076	C/C(=N\NC(=O)C)/CN
58772581	CN1CCCN(C1=O)N
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58980283	CC(C)C1C(=O)NNN1
59082218	[3H]O[C@H](CN=[N+]=[N-])C(C)C
59134729	CC(C(C)(C)N=[N+]=[N-])O
59148650	CCNC(=O)NCN=C
59152544	CC(=O)NNC(=C)NC
59164984	CNN1CCN(C1=O)C
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59286153	C1CNC[C@H]1NC(=O)N
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59397509	COCCCCN=[N+]=[N-]
59656629	CN(CC(=C)O)C(=N)N
59684164	CC(=O)CCN=C(N)N
59751928	CC(=O)NN=CCCN
59797088	C1C[C@H](N(C1)NN)C=O
59841091	C1CN(C[C@H]1N)C(=O)N
59897265	C/C(=N\N)/C(=N/OC)/C
59928051	CC(C)C(CN=[N+]=[N-])O
60056002	C1CC(OC1)/C(=N/N)/N
60082551	CC(=N)N(C)CC(=O)N
60712087	C=CCNC/C(=N\O)/N
60712159	C1CC1NC/C(=N/O)/N
61361967	C1CC(OC1)/C(=N\N)/N
61361969	C1COCC1/C(=N\N)/N
62408837	CC1CC1NC(=O)NN
62416188	C1CC(C1)NC(=O)NN
62482293	CN(C1CC1)/C(=N/O)/N
62483932	CC1CC1N=C(N)NO
62484140	C1CC(C1)N=C(N)NO
63173236	CC(=NCC(=O)NC)N
63173504	CC(=NCCC(=O)N)N
63173506	CC(C(=O)N)N=C(C)N
63173812	CCC(=NCC(=O)N)N
63760921	C1C(CN1CC(=O)N)N
63991612	C1CNCC1C(=O)NN
63993586	C1CC1NCC(=O)NN
64611038	C1C(CN1)CC(=O)NN
64981050	C1CC(NC1)/C(=N\O)/N
64981101	C1CC1C(/C(=N/O)/N)N
65181153	CCOCCCN=[N+]=[N-]
65951735	CC1(CN(C1)C(=O)N)N
65957979	C1C(CN1)NCC(=O)N
65970994	C1C(CC1O)N=C(N)N
65993758	C1C(CN1C(=O)N)CN
66187799	CN(C1CNC1)C(=O)N
66665249	C1CN(C[C@@H]1N)C(=O)N
66901942	C1COCCN1N=CN
66952642	C1=CC=NC=C1.NN.O
66969056	C1CN(C1)CNC(=O)N
67100116	C1CC1CN(C(=O)N)N
67127715	C1CC(NC(=O)C1N)N
67692608	CCN1CC(=O)NC1N
67754817	CC1(CNC(=O)N1C)N
68254283	CN1CN(N(C1=O)C)C
68326397	CC(C)N.C1=CON=N1
68646598	CCC1=NC(=NO1)C.N
68911124	C1CC(NNC1)C(=O)N
68911125	C1CCN(NC1)C(=O)N
68921507	CCCN1C(=O)CNN1
69259188	C1C[C@H](N(C1)N)C(=O)N
69381167	C1CNCNC1C(=O)N
69452144	CN1CCN(C(=O)C1)N
69453588	CN1CCN(CC1=O)N
69463758	CC1=NC(CN1C)(N)O
69476020	C1CCN(NC1)NC=O
69494053	C(CNC=CC(=O)N)N
69502030	C1C[C@@H](NC1)C(=O)NN
69823136	C1CNC=C1.C(=O)(N)N
69999095	CCNC(=O)CC(=N)N
70062301	C1CNC(NC1)C(=O)N
70086658	C1C[C@@H](C(=O)N(C1)N)N
70086661	C1CC(C(=O)N(C1)N)N
70204303	C1C2C(CN1)NOCN2
70386524	CN1CC(CN=C1N)O
70551396	CC(=O)N1CNCNC1
70551397	CC(=O)C1NCNCN1
70569115	C1CN(N=N1)CCCO
70597765	CN1C=CN=N1.COC
71333487	CC(=O)N1C(CCN1)N
71364540	CN=NNCCOC=C
71666038	CC(=O)NCC1(NN1)C
71776008	C1CC(C(=O)NC1)N[NH2+]
72207897	C1C(NCNC1=O)CN
72259813	CNC1CNCC(=O)N1
72390980	CC(C=NNC(=O)C)N
72391393	CC(=O)N(C)N=CCN
72391401	CCC(=O)NN=CCN
72391408	CC(=NNC(=O)C)CN
72436408	CNC(=CC(=O)NC)N
72564485	C1CC(N(C1)NN)C=O
72636414	C1CC(OC1)C(=NN)N
72739452	CNC1NCCC(=O)N1
138	C(CCN)CC(=O)O
247	C[N+](C)(C)CC(=O)[O-]
824	CCCC(C(=O)O)N
1182	CC(C)C(C(=O)O)N
6287	CC(C)[C@@H](C(=O)O)N
8053	CC(C)CCON=O
10026	CCCCCON=O
10973	CC(C)COC(=O)N
11596	CCCCOC(=O)N
12195	CCNC(=O)OCC
12333	CCC(CC)[N+](=O)[O-]
12709	CCOC(=O)N(C)C
18614	COC(=O)CCCN
21525	CC(=O)NCCOC
24688	CCC(C)CON=O
60046	C1COCN1CCO
65098	CCC[C@@H](C(=O)O)N
69236	CCOC(=O)C(C)N
69396	CC(C)CC[N+](=O)[O-]
70703	CNCCCC(=O)O
71563	CC(C)[C@H](C(=O)O)N
75725	CC(C)(C(=O)O)NC
76054	CCOC(=N)OCC
76507	CCOC(=O)[C@H](C)N
77922	CC(C)(C)OC(=O)N
79827	C1COC(O1)CCN
81569	CN(C)CC(=O)OC
82029	C[N+]1(CCOCC1)[O-]
82322	CC(C)OC(=O)NC
87536	CCC(=O)NCCO
88072	CN(C)C1OCCO1
89471	CCOC(=NOC)C
94222	CCC(C)OC(=O)N
94744	CCC(C)(C(=O)O)N
95456	CCNC(=O)C(C)O
95739	CC(C)(CN)C(=O)O
95849	CCOC(=O)CNC
98053	CC(C(=O)N(C)C)O
100664	CCCC(=O)N(C)O
119014	CC(C)(CO)C=NO
134571	CCCCC(=O)NO
145756	CCCC(C)[N+](=O)[O-]
151013	CCC(C(=O)OC)N
151045	C[C@H](C(=O)O)N(C)C
169986	CNC(=O)CCCO
220639	CCCCC[N+](=O)[O-]
223130	CC(CCC(=O)O)N
231405	CCC(C)(C(=O)N)O
231939	C1COCCN1CO
239828	CN(C)CCC(=O)O
243476	CCC(C)(C)ON=O
267571	CC(CNC(=O)C)O
275698	CC(C)CNC(=O)O
277795	CC(C)C(NC=O)O
303148	CC(C)(C)C(=O)NO
322609	CC(=NOCOC)C
329061	C(CCO)CC(=O)N
349252	COCCCNC=O
349711	CC(=NO)C(C)(C)O
408947	CN(C)CC(C=O)O
408949	CCNCC(C=O)O
414243	CCCNCC(=O)O
414244	CC(C)NCC(=O)O
419889	CCOC(=O)CCN
428338	CC(C)(CO)NC=O
428339	CC(C)(COC=O)N
439575	CCC[C@H](C(=O)O)N
444458	C[C@H](CCC(=O)O)N
445613	C1CNC[C@H]([C@@H]1O)O
450561	CC(C)C([11C](=O)O)N
450563	C[11CH](C)C(C(=O)O)N
450569	CC(C)(C(=O)O)N[11CH3]
450608	CC(C)C(C(=O)O)[13NH2]
524014	CC(C)(C)CON=O
527633	CCCOC(=O)NC
541623	CN(C)C(=O)CCO
541754	CNCC1OCCO1
541783	CC(C(C)N)C(=O)O
542250	CC(=O)N(C)COC
547686	CC(C)(C(=O)NC)O
547935	CC(C(=O)NC)OC
568334	CC(C)NC(=O)OC
638334	CC[C@H](C)CON=O
816822	C[C@@H](C(=O)N(C)C)O
816823	C[C@H](C(=O)N(C)C)O
928193	C[C@@H](CCN)C(=O)O
928194	C[C@H](CCN)C(=O)O
1133181	C1CO[C@H](CO1)CN
1133182	C1CO[C@@H](CO1)CN
1512575	C1CO[C@@H](CN1)CO
1514268	C1COC[C@@H](N1)CO
1514269	C1COC[C@H](N1)CO
1550042	C[NH2+]CCCC(=O)[O-]
2724877	CC[C@](C)(C(=O)O)N
2759255	CCCOC(=O)CN
2760933	CC(C)(CC(=O)O)N
2781177	CC(=O)NCCCO
3013914	CCC(C)(C)[N+](=O)[O-]
3023125	CON1CCOCC1
3026651	CCCCNC(=O)O
3030880	CCC(C)NC(=O)O
3364777	CCOCC(=O)NC
3400854	C1CNCC(C1O)O
3497988	C1COC(CN1)CO
3539719	CC(CC(=O)O)CN
3569560	CC(CN(C)C=O)O
3748064	C1COC(CO1)CN
3757587	CCN(CC)C(=O)O
3759025	CC(CCN)C(=O)O
3853601	C1CNCCC1(O)O
4186341	CC(C)(C(=O)OC)N
4293071	CCCNC(=O)OC
5049667	C(CCO)CC=NO
5058360	C1COCC(N1)CO
5142091	C1CCOC(C1)ON
5234885	C1CC(C(NC1)O)O
5237032	CC(C)C(C(=O)[O-])[NH3+]
5255804	CCCC(C(=O)[O-])[NH3+]
5312968	C[C@@H](CCC(=O)O)N
5365344	C/C(=N\O)/C(C)(C)O
5385758	C/C(=N/O)/C(C)(C)O
5488191	C[C@@H](C(=O)O)N(C)C
6538064	CCO/C(=N\OC)/C
6558857	C1CO[C@H](CN1)CO
6604938	C[C@H](CC(=O)O)CN
6932861	CCOC(=O)[C@@H](C)N
6950514	CCC[C@@H](C(=O)[O-])[NH3+]
6950515	CCC[C@H](C(=O)[O-])[NH3+]
6951124	CC(C)(C(=O)[O-])[NH2+]C
6954859	C[C@@H](CC[NH3+])C(=O)[O-]
6954860	C[C@H](CC[NH3+])C(=O)[O-]
6971018	CC(C)[C@@H](C(=O)[O-])[NH3+]
6971095	CC(C)[C@H](C(=O)[O-])[NH3+]
6971275	CC[C@@](C)(C(=O)[O-])[NH3+]
6971276	CC[C@@](C)(C(=O)O)N
6971277	CC[C@](C)(C(=O)[O-])[NH3+]
6989253	CC(C)(CC(=O)[O-])[NH3+]
6992101	C(CC[NH3+])CC(=O)[O-]
9118386	C[C@@H](CC(=O)OC)N
9118388	C[C@H](CC(=O)OC)N
9568807	CCO/C(=N/OC)/C
9576731	CC(C)(CO)/C=N/O
9689901	C(CCO)C/C=N/O
9855464	CO[C@H]1CNC[C@H]1O
9877358	CO[C@H]1CNC[C@@H]1O
9942136	CCC(C(=O)O)NC
9942137	CO[C@@H]1CNC[C@H]1O
10057483	CC[C@](C)(C(=O)N)O
10080382	C1[C@@H]([C@H](CN1)O)CO
10103151	C1[C@@H](N[C@H]1CO)CO
10129934	CC1(COCN1O)C
10129939	C[13CH]([13CH3])[C@@H](C(=O)O)N
10149011	COCCC(=N)OC
10154046	C[14CH]([14CH3])[C@@H](C(=O)O)N
10197668	CC(CC(=O)N)CO
10219414	CC(C)(CC(=O)N)O
10219417	CC(C)C([13C](=O)O)N
10241002	C1CNC[C@H]([C@H]1O)O
10261077	C[C@H]1[C@H]([C@@H](CN1)O)O
10261078	C[C@H]([C@H](C)N)C(=O)O
10348309	CC(C)(C)NC(=O)O
10396826	CC[C@@](C)(C(=O)N)O
10441685	C[11C](C)(C(=O)O)NC
10441689	C[C@H]1[C@H]([C@H](CN1)O)O
10486829	CC(CN)C(=O)OC
10510843	CC(=O)N(C)CCO
10534650	C1CN[C@H]([C@H]1O)CO
10558606	CC(C)[C@H](C(=O)O)[15NH2]
10582777	[2H]C([13CH](C)C)(C(=O)O)N
10606721	C1[C@@H]([C@@H](CN1)O)CO
10606722	CCOCC(=N)OC
10630469	CC(C)[C@@H]([13C](=O)O)[15NH2]
10701819	[2H]C([13CH]([13CH3])[13CH3])(C(=O)O)N
10725330	CC[C@](C)(C(=O)O)[15NH2]
10772964	CN(C)C[14C](=O)OC
10820508	CC[C@@H](C(=O)OC)N
10820516	[2H]C([2H])([2H])C(C(C(=O)O)N)C([2H])([2H])[2H]
10866312	CC(=NOCCO)C
10898699	C[C@@H]([C@H](C)O)C(=O)N
10898704	[2H]C([2H])([2H])[C@@H](C)[C@@H](C(=O)O)N
10942401	[2H]C([2H])([2H])[C@H](C)[C@H](C(=O)O)N
10964466	C[C@H]1[C@@H]([C@@H](CN1)O)O
10975465	CC(C)N(C(=O)C)O
10986197	CC(NC(=O)C)OC
10997010	CC(C)[C@@H](C(=O)N)O
10997018	[2H]C([2H])([2H])[N+]1(CCOCC1)[O-]
11007874	CCCC(C)ON=O
11040675	C[C@H]1[C@@H]([C@H](CN1)O)O
11040900	C[C@@H](C(=O)OC)NC
11051625	CC(C)[C@@H]([13C](=O)O)N
11062359	CC[14C](=O)N(C)OC
11073390	CCOC(C)NC=O
11073391	C1CN[C@@H]([C@H]1O)CO
11083874	C=C[C@@H]([C@@H](CO)O)N
11126230	CN(C)C(=O)COC
11182600	C1C(CN1CCO)O
11217244	C1[C@H]([C@@H](CN1)O)CO
11217245	C[C@H]([C@@H](C)N)C(=O)O
11263496	[13CH3]C([13CH3])[C@@H](C(=O)O)N
11274991	C1C(O1)CNCCO
11274992	C[C@@H]([13CH3])[C@@H](C(=O)O)N
11320932	CC[C@@H](CC(=O)O)N
11344007	CCC(=O)N(C)OC
11344008	C[C@@H]1[C@H]([C@H](CN1)O)O
11355600	CC[C@@H](CN)C(=O)O
11412366	CCCC(=O)OCN
11528378	CC(=O)OCCNC
11768778	C1C[C@H](C([C@@H]1O)N)O
11788289	CC(=O)C(C)(C)NO
11788290	CC(C(=O)O)N(C)C
11804731	C=C[C@H]([C@H](CN)O)O
11815847	CC(C)C(C(=O)O)[15NH2]
11829420	[2H]C([2H])([2H])C(C)[C@@H](C(=O)O)[15NH2]
11997082	C1CNC(CC1O)O
12003147	CCN[C@H](C)C(=O)O
12003148	CCNC(C)C(=O)O
12003149	CCN[C@@H](C)C(=O)O
12157939	C/C=C(\C)/C(=O)[O-].[NH4+]
12164856	[13CH3][13CH]([13CH3])[13C@@H]([13C](=O)O)[15NH2]
12169458	[2H][C@@](C(=O)O)(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N
12200587	CC(C)CCO[15N]=O
12200971	CCOC(=N)C(C)O
12203658	CC(=O)O.C=CCN
12227201	CCNCCC(=O)O
12242675	CC(=O)OCN(C)C
12312117	[2H]C([2H])C([2H])([2H])CC(C(=O)O)N
12402297	CC(C1OCCO1)N
12402298	C[C@@H](C1OCCO1)N
12414198	CNCCC(=O)OC
12434663	CC1(OCCO1)CN
12441458	CC(CO)/C(=N/O)/C
12500430	CC(CC(=O)OC)N
12506261	CNC(CCO)C=O
12527495	CCOC(C)C(=O)N
12571756	CC[C@H](C(=O)O)NC
12571757	CC[C@@H](C(=O)O)NC
12578544	CC(C)(C(=O)N)OC
12591596	CCNCC(=O)OC
12596549	CC(C)(C)ONC=O
12653319	CCOC(=N)CCO
12678307	CC(C)(C)C[N+](=O)[O-]
12724606	CC(C)(C)N(C=O)O
12730627	C/C(=N\O)/CCCO
12768403	CCCC(C(=O)N)O
12768404	CC(C)C(C(=O)N)O
12782009	CC1(N(CCO1)O)C
12801409	CCC(C)C[N+](=O)[O-]
12816253	CCOC(=N)COC
12968530	C1COCCC1ON
12991520	CC(CC(=O)O)NC
13000923	CC(C)[C@@H](C(=O)O)[15NH2]
13000932	[2H][C@](C(C)C)(C(=O)O)N
13000940	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)O)N
13000941	[2H]C(C(C)C)(C(=O)O)N
13028027	CCC(C)N(C=O)O
13032010	CCCN(C(=O)C)O
13042851	CC(=O)OCCCN
13063726	C[C@H](CN)C(=O)OC
13068951	C[C@@H]([C@H](C)N)C(=O)O
13086964	CC/C(=N\O)/OCC
13168123	C1CCOC(C1)NO
13185641	CC(C)C(C)[N+](=O)[O-]
13207481	CC(C(C)O)C(=O)N
13207483	C[C@H]([C@H](C)O)C(=O)N
13258739	CC(C)CC(=O)NO
13283514	CC[C@H](C(=O)OC)N
13425477	C[C@H](CNC(=O)C)O
13497972	C1CC(C(C1N)O)O
13497974	C1C[C@H]([C@@H]([C@@H]1N)O)O
13497976	C1C[C@H]([C@H]([C@@H]1N)O)O
13497978	C1C[C@@H]([C@@H]([C@@H]1N)O)O
13539389	CCCC(=O)NCO
13563594	CC1(COCOC1)N
13654366	C1CC(OC1)CON
13675438	CC(C)NOC(=O)C
13675456	CC(C)(C)C(=O)ON
13820629	CC(C)OC(=O)CN
13850985	CC(C(=O)OC)NC
13850986	C[C@H](C(=O)OC)NC
13927379	CCOCCNC=O
14008744	CCCOCC(=O)N
14039786	CCC(CN)C(=O)O
14282975	C=CC(C(CN)O)O
14282976	C=C[C@@H]([C@@H](CN)O)O
14420967	CCCCC(=O)ON
14491221	C=COCC(CN)O
14511497	CC(CO)NC(=O)C
14511498	C[C@@H](CO)NC(=O)C
14511499	C[C@H](CO)NC(=O)C
14597069	CCCN(C)C(=O)O
14606670	C1C(COC1CO)N
14606672	C1[C@H](CO[C@H]1CO)N
14731978	CCC(CC(=O)O)N
14731979	CC[C@H](CC(=O)O)N
14754087	C1C(CC(C1O)O)N
14754088	C1[C@@H]([C@H](CC1N)O)O
14870176	CC(/C(=N/OC)/C)O
14870208	CCC(C(=O)NC)O
14870212	CC(CC(=O)NC)O
14870213	C[C@H](CC(=O)NC)O
14967434	COC(/C=C/N)OC
14979728	CCC(CC(=O)N)O
15026070	CCC(=O)NOCC
15193678	C(CCO)CNC=O
15269988	COC(C1CN1)OC
15335183	CCN(C)C(=O)CO
15473637	C1COCOCCN1
15500213	C1C[C@H](N(C1)O)CO
15535737	CC(COC)C(=O)N
15561473	CCNC(=O)CCO
15582179	CN1COCCOC1
15607343	C1CNC(C1O)CO
15607345	C1CN[C@@H]([C@@H]1O)CO
15657908	CC(C(=N)OC)OC
15817396	C1[C@H](CN[C@@H]1CO)O
15847208	C1CN(CCC1O)O
15881135	CC(C)NC(=O)CO
15921482	CCOCNC(=O)C
16220099	[14CH3][14CH]([14CH3])C([14C](=O)O)N
16767281	C1C(CNC1CO)O
17074527	CCC(C(=O)N)OC
17780743	CCNC(=O)COC
17817574	CC(=O)COCCN
17903738	CCONC(C)C=O
17952619	COC1(CC1N)OC
17978854	CCOC1NCCO1
18004273	C=CCN(CO)CO
18006082	CCCCNOC=O
18006096	CCC(C)NOC=O
18006097	CC(C)(C)NOC=O
18006128	CC(C)CNOC=O
18172260	CCOC(=O)C=C.N
18329466	C1CCNC(=O)C1.O
18346944	CC(=O)CNCOC
18367493	C1CC(COC1)ON
18399975	CCCCONC=O
18399984	CC(C)CONC=O
18404486	CC(CNC)C(=O)O
18406050	CN1CC(C(C1)O)O
18409046	CCN(C)CC(=O)O
18463144	C1CCC(C1)N(O)O
18523491	C1COCC(C1N)O
18534813	CCNCOC(=O)C
18705501	CC(C)ONC(=O)C
18706850	C1C(CO1)(CN)CO
18711692	CON1CCCCO1
18730059	CC(C(C(=O)C)N)O
18730060	CC(=O)C(CN)CO
18730078	CC(C(C(=O)C)O)N
18755694	C1CC(OC1)(CO)N
18761399	CNC1COCCO1
18799168	CC#N.CC(=O)C.O
18942824	CC(C(CN)C=O)O
18943009	CC(N1CCOC1)O
19020439	C1CN(CC1O)CO
19035659	C1CC(NC1CO)O
19080232	CCCN(C=O)OC
19097040	CCN(CC)OC=O
19104289	C1C(COCO1)CN
19427261	COCCC(=O)CN
19432068	CC(COC(=O)C)N
19592457	CC(N(C)C=O)OC
19704340	C1CC(N(C1)O)CO
19756762	CCC1(NCCO1)O
19778703	C1COC(N1)CCO
19781347	C1C(CNCC1O)O
19785956	C=CCCO.C(=O)N
19790715	CC/C(=N/O)/C(C)O
19802372	C1CN(OC1)CCO
19811881	C1CCNC(C1)(O)O
19839045	CO.C1COC2N1C2
19867655	CCCNC(=O)CO
19874136	C1CNCOC1CO
19874163	C1C(OCN1)CCO
19874176	C1C(COCN1)CO
19874199	COC1CNCOC1
19881640	C1CC(NC(C1)O)O
19902798	CCC(N)OC(=O)C
20063529	CC(C(C=O)NC)O
20068401	CC(C)C(C)ON=O
20072984	C1C(C1N)C(CO)O
20072999	C(C1C(C1N)CO)O
20073631	CCC(NC=O)OC
20095905	CC[NH3+].C=CC(=O)[O-]
20151341	CCCCN(C=O)O
20202559	CCN(C)C(=O)OC
20218236	C1CC(OC1)CNO
20220670	C(CC(C=O)O)CN
20220688	CC(CC=O)(CN)O
20263436	CC(O)ON=C(C)C
20275532	CCCC(=O)NOC
20291460	COCC1CNCO1
20312690	CC(C)(C(=N)OC)O
20328371	CN1CC(OC1)CO
20333156	CC#N.COCCO
20357013	CNC(COC)C=O
20389276	CCC(=O)NCOC
20441159	CC1COC(O1)CN
20456569	CC=O.CC(=O)NC
20510066	CC(CN)OC(=O)C
20522526	CC1OCC(CO1)N
20593313	C/C(=C/OCOC)/N
20597130	C1CNOCC1CO
20626690	CN(C)CC(=O)CO
20644285	CON1CCC(C1)O
20648151	CN=CCC(CO)O
20650934	CC1NC(OCO1)C
20657777	CCNCCOC=O
20675081	CN1C(CCC1O)O
20675475	C1CC(C(OC1)O)N
20681301	CC(CO)C(=O)NC
20683720	C(/C=C/CN)C(O)O
20687603	CCN(C(=O)C)OC
20717779	CC/C(=N/OC)/OC
20720400	CCN(CO)C(=O)C
20784557	CC(C)(CNC=O)O
21111709	C1C(C(CN1)O)CO
21192110	C/C(=C/C(=O)C)/[O-].[NH4+]
21197384	C1CC1.C(C(=O)O)N
21217049	CCNC(C)OC=O
21248803	C1COC(OC1)CN
21292231	CNC.C=CC(=O)O
21299405	CC(=O)C(CCO)N
21308700	C1[C@H]([C@H](CC1N)O)O
21308701	C1C[C@@H](C([C@@H]1O)N)O
21312676	CC(=C)C(=O)N.CO
21335364	CC(=O)CNCCO
21343565	CC(C(C=O)OC)N
21343692	C/C(=C/COOC)/N
21348701	CNC1COCC1O
21402557	CC(C)N(C)C(=O)O
21402940	CC(CCC(=O)N)O
21417304	CC1(COCN1)CO
21430458	CNC(=O)CCOC
21444191	CN(C)CCOC=O
21463402	C1C(CN1)(CO)CO
21466695	C1CCOOC(C1)N
21584170	C1CNCCC1=O.O
21651128	CC(C)OCC(=O)N
21665979	CCC(=O)ON(C)C
21666610	CNC(=O)O.C1CC1
21681205	[2H]C([2H])C([2H])([2H])CC(C(=O)[O-])[NH3+]
21691130	CCC(C)C(=O)ON
21751982	CCOCCC(=O)N
21778903	C(COCCN)C=O
21802110	C[N+]1(CCCCO1)[O-]
21844047	C/C=C/CC(=O)[O-].[NH4+]
21848961	CC=O.C=CC=O.N
21947002	CC(C)C(=O)ONC
21956312	CC(C)(CO)C(=O)N
22015750	CC(C1NCCO1)O
22019307	COC1CNCCO1
22056724	CCO.C=CC(=O)N
22061576	C1C(OCO1)CCN
22074094	CCC(C)C(=O)NO
22082385	CN1CCC1COO
22101713	CCC(=O)N(C)CO
22104091	CCCONC(=O)C
22123474	CC(CC(=O)N)OC
22175060	CC(CCO)C(=O)N
22185290	CC(NCC=O)OC
22285919	C1C(C1CON)CO
22285985	C1CC1(CO)CON
22287110	CN1CCCC1=O.O
22377873	C/C(=N/O)/CCCO
22414177	COCCCC(=O)N
22418564	CCC(=O)N(CC)O
22457139	CCC(=O)NC(C)O
22475509	C1CCN(C1)C(O)O
22600830	CC=C.C(C(=O)O)N
22603654	COC1CNCC1O
22629883	C1CCN(C(C1)O)O
22795159	C1CNC[C@@H]([C@@H]1O)O
22795160	C1CNC[C@@H]([C@H]1O)O
22796635	C[C@H](C(C)C(=O)O)N
22811510	C1CC(O[C@@H]1O)CN
22837399	C1CN(C[C@@H]1O)CO
22853590	C[C@@H]1C[C@H](CN1O)O
22865769	C[C@H](CC(=O)O)NC
22866750	CN1C[C@H]([C@H](C1)O)O
22966998	CC1(C[N+](C1)(C)[O-])O
22967010	C[N+]1(CC(C1)CO)[O-]
22967017	C[N+]1(CCC(C1)O)[O-]
22973058	CCOC(=O)C[NH2+][CH2-]
22981506	CC(=O)C(CO)NC
22994611	CC1C[NH+](CCO1)[O-]
23032585	C1COC1(CN)CO
23137804	CCC(=O)OCCN
23220986	CN1CCOC(C1)O
23277870	CCN(CCO)C=O
23286433	CC(=C(CO)ON)C
23334496	CCC1(OCCO1)N
23373939	CC(=O)[O-].C=CC[NH3+]
23377773	C1C[NH+](CCC1O)[O-]
23385541	CC1C(CCN1O)O
23524498	CC(=O)CC(NC)O
23557885	C[N+]1(CC(C1)OC)[O-]
23617223	CCON(C)C(=O)C
23626123	C[C@@H](CN)C(=O)OC
23636292	C[C@@H](CC(=O)O)NC
24749569	C[C@@H]1[C@H]([C@@H](CN1)O)O
24801401	C1[C@@H](N[C@@H]1CO)CO
25137671	C1COCC1CON
25201408	C[NH+](C)CCC(=O)[O-]
25209243	C=C[C@@H]([C@H](CN)O)O
25240090	[2H]C([2H])([2H])[C@H](C)[C@@H](C(=O)O)N
25240264	[2H]C([2H])([2H])[C@@H](C)[C@@H](C(=O)O)[15NH2]
25240306	CC([13CH3])[C@@H](C(=O)O)N
25240814	[2H]C([2H])([2H])C(C)[C@@H](C(=O)O)N
25417381	CC[C@H](CC(=O)[O-])[NH3+]
25417383	CC[C@@H](CC(=O)[O-])[NH3+]
25759666	CC[NH2+]CCC(=O)[O-]
28064602	CC[NH+](C)CC(=O)[O-]
29893135	CO[C@H]1COC[C@@H]1N
29893212	CN[C@H]1COC[C@@H]1O
36689718	CC(C)(C[NH3+])C(=O)[O-]
36690317	CCC[NH2+]CC(=O)[O-]
36690318	CC(C)[NH2+]CC(=O)[O-]
36690554	C[C@@H](CNC(=O)C)O
40493915	C[C@@H](C(=O)[O-])[NH+](C)C
40493916	C[C@H](C(=O)[O-])[NH+](C)C
41097916	C1CCO[C@H](C1)ON
41097917	C1CCO[C@@H](C1)ON
42426847	CC[C@H](C(=O)N)OC
42426848	CC[C@@H](C(=O)N)OC
42554281	C1[C@@H](CN[C@@H]1CO)O
42554284	C1[C@@H](CN[C@H]1CO)O
42554286	C1[C@H](CN[C@H]1CO)O
44228770	C1CC(C[NH+](C1)[O-])O
44278339	C[C@H](CCC(=O)[O-])[NH3+]
44279121	C[C@@H](CCC(=O)[O-])[NH3+]
44313225	C[C@@H](CC(=O)[O-])C[NH3+]
44313226	C[C@@H](CC(=O)O)CN
44313512	C[C@H](CC(=O)[O-])C[NH3+]
44313535	CC(CC(=O)[O-])C[NH3+]
44319748	CC1C(C(CN1)O)O
44558814	CC1CC(NO1)CO
45085112	CC(=O)C(C)(CO)N
45085116	CCNC(=O)[C@H](C)O
45085118	CCNC(=O)[C@@H](C)O
45085120	CC(=O)[C@H](CO)NC
45378633	C[N+]1(CCOCC1)[17O-]
45378634	C[15N+]1(CCOCC1)[17O-]
46782184	[2H]C([2H])([2H])NCCCC(=O)O
46932040	[2H]C([2H])([2H])C([2H])(C(C(=O)O)N)C([2H])([2H])[2H]
51038295	[2H][13C]([2H])(C(=O)[O-])[N+](C)(C)C
51038297	[2H]C[N+](C[2H])(C[2H])[13C]([2H])([2H])C(=O)[O-]
51520576	CC[C@@H](C(=O)[O-])[NH2+]C
51520577	CC[C@H](C(=O)[O-])[NH2+]C
51520580	C[C@@H](CC(=O)[O-])[NH2+]C
51520581	C[C@H](CC(=O)[O-])[NH2+]C
51522665	CC[C@@H](C[NH3+])C(=O)[O-]
51522666	CC[C@H](C[NH3+])C(=O)[O-]
51522667	CC[C@H](CN)C(=O)O
51533382	CCO[C@@H](C)C(=O)N
51533383	CCO[C@H](C)C(=O)N
51653880	C[C@H](C[NH2+]C)C(=O)[O-]
51653881	C[C@H](CNC)C(=O)O
51653882	C[C@@H](C[NH2+]C)C(=O)[O-]
51653883	C[C@@H](CNC)C(=O)O
53276290	COC1COCC1N
53395084	CCC(C)(C(=O)[O-])[NH3+]
53433479	COC1CC(OC1)N
53484358	CC1(COC1)CON
53487703	C[C@@H]([C@@H](C)N)C(=O)O
53660210	C[14CH2]C(C)OC(=O)N
53664436	C(CN)C(=O)CCO
53687581	CC(N(C)C)OC=O
53691700	CC(CNC=O)CO
53693313	CCC(CO)C(=O)N
53707569	COC1COCCN1
53709501	CCC(N=O)OCC
53710935	C1[C@H](NCC1O)CO
53736539	CC(C(C)OC)N=O
53754059	CCCN1OCCO1
53765592	CC(C)(C(=O)O)N[14CH3]
53817796	CO.C=CC(=O)CN
53823787	CC(C)C(=O)NCO
53830358	CCN(C=O)OCC
53860785	CC(COC)NC=O
53866231	CCOC(=O)N[14CH2]C
53869158	CN(CCO)CC=O
53886349	COCC[C@@H](C=O)N
53913035	C/C=N\OC.CC=O
53928903	C1CO[C@@H]([C@H]1N)CO
53952769	CC(CN[14CH3])C(=O)O
53969406	CC(C)(CN=O)CO
54007874	C=NCCOCCO
54022220	[3H]N[C@@H](C(C)C)C(=O)O
54022222	CC(C)[C@@H]([14C](=O)O)N
54022223	CC(C)C([14C](=O)O)N
54032442	C1CC(C1)(C(O)O)N
54039703	CCCC(NC=O)O
54040691	CC(=O)N(C)C.C=O
54066351	CC(C)C(=O)N(C)O
54099983	C1C[C@H](OC1)CON
54124943	CCC(NC(=O)C)O
54138526	CC(C1CNCO1)O
54141495	CC(=CCNO)CO
54168054	CNC.COOC#C
54180779	C1COC[C@@H]([C@@H]1N)O
54180780	C1COC[C@@H]([C@H]1N)O
54228213	C1COC(CC1N)O
54240320	CC(=CCON)CO
54243184	COCCNCC=O
54245153	CC(C)(NC)OC=O
54259885	CC(CC(C=O)O)N
54268261	CC(C)C(=O)OCN
54281134	CC(CCCO)N=O
54282665	CCC(=O)CNOC
54290566	C(CC(=O)CO)CN
54320758	CN(C)[C@@H](CO)C=O
54333030	CC(CN)COC=O
54340286	C1CN[C@@H](C1O)CO
54346078	CN(CCOC)C=O
54368493	CCCC(C=O)(N)O
54392998	CC(CNC=O)OC
54395663	CN1C[C@H]([C@@H](C1)O)O
54395664	CN1C[C@@H]([C@H](C1)O)O
54396409	CC(C)C(N=O)OC
54401994	CC(C)N(C=O)OC
54403141	CC(C)CN(C=O)O
54404142	C(CCN=O)CCO
54466709	CCCC(C=O)NO
54467124	C[C@H]1[C@H](CCN1O)O
54483934	CC1(COC(N1)O)C
54484676	C(CCOC=O)CN
54496548	CO[C@@H]1CNCCO1
54512414	CC(=O)[C@@H](CO)NC
54516038	CN(CCCO)C=O
54548640	CC(C)(CN)OC=O
54572681	CC1C(OCN1)CO
54857357	CO[C@@H]1COC[C@H]1N
54857363	C1COC[C@H]([C@@H]1N)O
55253751	CC(=O)CC(CO)N
55269722	C1[C@H](CO[C@@H]1CO)N
55269723	C1[C@@H](CO[C@@H]1CO)N
55280913	CC(C)[C@H](C(=O)N)O
55282123	C1COCC(C1O)N
55283906	C1[C@H]([C@@]1(CO)N)CO
55283930	C=C[C@H]([C@@H](CO)N)O
55284146	C=CC([C@H](CO)N)O
55284198	C1[C@H]([C@H](CO1)N)CO
55284410	CC(=O)[C@H](CCO)N
55284459	C(/C=C\[C@@H](CO)N)O
55284539	CC1(OCC(O1)N)C
55284543	C(CC(=O)CN)CO
55284758	C=C[C@H]([C@@H](CO)O)N
55285085	CC(C)(C(=O)CN)O
55285255	CCC[C@H](C(=O)N)O
55285677	C1COC[C@@H]([C@H]1O)N
55285952	CC1(CC(OO1)N)C
55286195	CNCCCOC=O
55286438	C1[C@H](CNC[C@H]1O)O
55286549	CC[C@H](CO)NC=O
55286709	C1C(CN1)(CCO)O
55287958	CC(CCO)NC=O
55289210	C1COCC(CO1)N
55289541	C[C@@H]([C@@H](C)O)C(=O)N
55290377	C1[C@H]([C@@H](CC1N)O)O
55290851	CC(C)(C(=O)CO)N
55290871	CCC(=O)O[C@@H](C)N
55291438	COCCC(C=O)N
55291455	C[11CH](C)[C@H](C(=O)O)N
55291456	CC[11CH2][C@H](C(=O)O)N
55291498	C=C[C@H]([C@H](CO)N)O
55295498	C1COCC(CN1)O
55298758	CC(C)OCNC=O
55298904	C1COC[C@@H](CN1)O
55299243	CCCOCNC=O
55299256	CC[C@@H](C(=O)NC)O
55299544	C1[C@H](N[C@@H]1CO)CO
56609396	CC(=C)NOCCO
56618900	CC(CN=O)C(C)O
56637139	CCC(=O)C(CO)N
56991970	C[C@@H](C(=O)C(C)O)N
57006357	CC(=O)CC(CN)O
57006552	C1CCOC(OC1)N
57009353	CCC(=O)OC(C)N
57025850	C1CC(C(C1O)N)O
57030926	C[C@@H](C(C)C(=O)O)N
57038383	CC(NCC(=O)C)O
57046279	C1CC(CC1O)(N)O
57080860	CCC(=O)CC(N)O
57106262	[2H]CC(C)(C)OC(=O)N
57110269	CCCC(=O)ONC
57124319	C1CC([C@@](C1)(N)O)O
57129688	CN1CCOCC1O
57134121	CNC1COCOC1
57140616	CCNCC(=O)CO
57144990	CC(=O)CCC(N)O
57158890	CC(CC1CO1)(N)O
57191909	CC(=O)NC(C)(C)O
57208745	CC(=NC(CO)O)C
57227038	CONC1CCCO1
57241509	C1CC(CC1N)(O)O
57261487	C1CC(COC1)NO
57269047	CCCNOC(=O)C
57274399	CCN(CC(=O)C)O
57291770	CC(CC(C)O)N=O
57325343	CCC(C)(NC=O)O
57455337	C1[C@H]([C@H](CN1)O)CO
57457838	C1COCC1(CN)O
57487779	CC(C)C(=O)NOC
57541007	[CH]N(CCO)CCO
57545278	CN[C@H]1CCOC1O
57576719	C/C(=N\OC)/CCO
57586994	CON1CC[C@H](C1)O
57616900	[2H]C([2H])[C@@]([2H])([C@@H](C(=O)O)N)C([2H])([2H])[2H]
57616902	[2H][13CH]([13C@@H]([13C](=O)O)[15NH2])[13C]([2H])([2H])C
57616910	[2H][13CH]([13C@@H]([13C](=O)O)[15NH2])[12C]([2H])([2H])C
57616913	[2H][13C@](C)([13C@@H]([13C](=O)O)[15NH2])[12C]([2H])([2H])[2H]
57616925	[2H][12C@](C)([13C@@H]([13C](=O)O)[15NH2])[12C]([2H])([2H])[2H]
57624329	CC1OCN(CO1)C
57624354	CC1(OCNCO1)C
57647983	[3H]C(=O)NCCCOC
57725112	C1[C@@H](C(CN1)O)CO
57731141	CC(=NCCO)CO
57736053	C=CCOOCCN
57760728	C[N+](C)([CH2-])CC(=O)O
57781599	CN(CC1CO1)CO
57939484	C[C@@H](CC(=O)NC)O
57999114	CCC[C@@H](C(=O)N)O
58070945	CC[C@@H](CO)C(=O)N
58098450	CC(CCOC=O)N
58134851	C1COCC1(CO)N
58193357	CCCC(=O)CON
58203001	[2H]N[C@@H](CCC)C(=O)O
58203010	[2H]N[C@@H](C(C)C)C(=O)O
58226251	[3H]OC(=O)NC(C)CC
58246856	C[C@@H](CO)C(=O)NC
58406249	C[C@H](CO)C(=O)CN
58422591	CN(CO)C(=C)OC
58468470	C=C(CC(CN)O)O
58544198	COC(CN[CH])OC
58603896	[2H]CNCC(=O)OCC
58618376	[2H]C([C@@H](C)N)C([2H])C(=O)O
58651129	[3H]OC[C@@H]1C[C@H](CN1)O
58679876	CC(=O)CCONC
58695467	CN1CC1(OC)OC
58757791	COCC1(CN1)OC
58798254	CCC(=O)CN(C)O
58808815	CC(C)C1CONO1
58821297	[3H]N(CC(C)C)C(=O)O[3H]
58865522	C1[C@H](CNC[C@@H]1O)O
58914400	CC(=O)C(COC)N
58952939	C1CC([NH2+]C1)C(O)[O-]
58952940	C1CC(NC1)C(O)O
58986544	CN(C)[C-](OC)[O+]=C
58999656	CC(=O)C[C@@H](CO)N
59012237	C1C(N1CO)CCO
59034600	CO[C@@H]1CNC[C@@H]1O
59045014	C[C@@H]([C@H](C=O)NC)O
59046363	C[C@H]([C@@H](C(=O)C)O)N
59046367	C[C@@H]([C@H](C(=O)C)O)N
59046379	C[C@H]([C@H](C(=O)C)O)N
59054650	CC(CO)/C(=N\O)/C
59069849	[2H]C(C)C([2H])C(C(=O)O)N
59070552	C/C(=C\OCOC)/N
59096056	C1C(CO1)OCCN
59124127	CC(=O)CCCON
59136296	CC(=O)[C@H](CCN)O
59149642	C[C@H]([C@@H]1COCO1)N
59188264	CNCCOCC=O
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30031554	COCCCC(=O)NN
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39235032	CCC(=O)NCCON
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43173519	CNCC(=O)NCCO
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53394722	C(CC(C(=O)O)N)[13CH2]N
53412253	C[N+]C.CN(C)C(=O)[O-]
53422806	CC(CN)(C(=O)OC)N
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54076851	CC(C)[C@@H](C(=O)ON)N
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54792666	CCCOCC(=O)NN
55206821	CCNC(=O)NOCC
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55285583	C[C@H](COC(=O)CN)N
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55285762	C(CNC(CO)C=O)N
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55288196	CCO/C(=N/O)/CNC
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55289367	C[C@@H](CNC(=O)N)CO
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55289999	C1[C@H]([C@H]([C@H](N1)CO)N)O
55290067	CCCCO/C(=N/O)/N
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56828971	C1COC(CO1)CNN
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61252313	CN(C(=O)CCN)OC
61524660	C(CCO)CC(=NO)N
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63374228	CCC(C(=O)N)NOC
63576408	CC(C)C(C(=O)NN)O
63731127	CC(CN)NC(=O)OC
63990798	CCNCCC(=O)NO
63993373	CNCCCC(=O)NO
63993579	CC(C)(C(=O)NO)NC
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64975023	CC(C)(C(=O)NOC)N
65228654	CCC(CN)C(=O)NO
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65816379	CCNC(CN)C(=O)O
66432609	CNC(=O)CC(CN)O
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66730489	C1CC(C1)N.C(=O)(N)O
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66994029	C1CN[C@@H](C1O)C(N)O
67031256	C1C[C@H](NC1)C(=O)O.N
67188618	C1[C@@H]([C@@H]([C@@H](CN1)O)O)N
67188863	CN1CCN(C(C1)O)O
67191860	C1C(C(CN1CN)O)O
67341388	C1CN(CC(C1O)O)N
67579164	COCC1NCNCO1
67580301	CN1CN(C(C1O)O)C
68752499	C1COC[C@@H]([C@H]1O)NN
68752501	C1COCC(C1O)NN
68753799	C1COC[C@@H]([C@H]1NN)O
68782599	CN1CCN(C1=O)C.O
68830223	C1CNC1.C(C(=O)O)N
69450477	C[N+]1(CCOCC1)N[O-]
69594252	C1CNCC[NH2+]1.C(=O)[O-]
69650005	C1CCN(C1)C(=O)O.N
70117904	COC.C1CNC(=O)N1
70140880	C1CNC(C(NC1)O)O
70261872	C1CC1.C(C(=O)O)NN
70301495	CC(=O)N.C1COCN1
70411437	CCC1(CONC1O)N
70476758	C1C=CNN1.C(CO)O
70479642	C1C(COC(N1)CN)O
70484125	C1C(COC(CN1)N)O
70502259	C1CC1CN.C(=O)(N)O
70596639	CCO.C1CNNC1=O
71309856	[13CH2]([13CH2][13C@@H]([13C](=O)O)N)[13CH2]N
71309859	[2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])N
71336481	CC(COC)C(=O)NN
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71352324	C[C@H](C(=O)N(C)OC)N
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71435381	CC(CNC)(C(=O)O)N
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71721514	C[C@@H](CN)NC(=O)OC
71751345	[13CH2]([13CH2][13C@@H]([13C](=O)O)[15NH2])[13CH2][15NH2]
72391260	COCCON=CCN
22671108	C(C(CO)NN)O.C(=O)(C(=O)O)O
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427023	CN(C)CCN=C(N)N[N+](=O)[O-]
487244	C(CC(=O)NN)C(C(=O)NN)N
10773588	CN(C)NC(=NCC(=O)O)NN
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12900042	C(C(CC(=O)NN)N)C(=O)NN
20785729	C1CN(CCN1CN)N(N=O)O
22866896	CC([C@@H](C(=O)NN)N)C(=O)NN
22979803	C(CN=C(N)N)CN(C(=O)O)N
46892504	CN(C)C(=N)N=C(N)N.C(=O)O
53699066	C(CCN=C(N)N)CN[N+](=O)[O-]
57322787	CCCCC(N)(NN=O)NN=O
59228868	CN1CCN(CC1)NN(N=O)O
60119263	CN(C/C(=N\O)/N)C/C(=N/O)/N
72653226	CN(CC(=NO)N)CC(=NO)N
54242416	CC1NC2C3NC(NN3NNN2N1)[N+](=O)[O-]
19961244	C(C(C(O)(O)O)(C(O)(O)O)N)C(O)(O)O
26091	C(CN)CNCCN
118593	CNCCNCCN
120423	CN(C)CCCNN
430288	CN(CCN)CCN
4526530	CC(CN)(CN)CN
5260214	C(CN)C(CN)CN
10464333	CN(C)N(C)CCN
12406639	C(CN)C(CCN)N
13183158	CCNCCN(C)N
13183617	CC(CN(C)C)NN
14396522	CN(C)CC(CN)N
14396523	CN(C)C[C@H](CN)N
14530588	CC(CNCCN)N
14530594	CC(CN)NCCN
15742960	CN(C)C(CCN)N
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22910908	CC(=C)CN1C(=O)N=NN1
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45080392	CC1=NC(=O)C=C(N1)NN
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45116700	COC1=NC(=CC(=N1)N)N
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45588739	C1CC(=NC1)NNC(=O)N
45791969	C1=CN(N=C1N)CC(=O)N
46780113	[2H]C1=C2C(=NC(=NC2=O)[2H])NN1
49874527	CC1C=C(NC(=N1)NN)O
49965512	C1=NOC(=C1C#N)/N=C/N
50896830	CN1C(=CC(=N1)N)C(=O)N
50987772	CC1=C(C=NN1)C(=O)NN
51000362	CN1C(=NNC1=O)CCN
51072191	CNC(=O)C1=CC(=NN1)N
51386882	CC(=O)/C(=C(\N)/NN)/C#N
51394481	C1=C2C=NN=C(N2N=C1)[O-]
51550622	C1=CNC(=C(N)N=O)N=C1
51550623	C\1=CN=CN/C1=C(/N)\[NH+]=O
51582480	C1=CN2C(=NC=N2)N=C1[O-]
51606327	CN1C(=NN=C1[O-])CC[NH3+]
51704181	C1=C(C=NN1)NC(=O)C[NH3+]
51722993	CN1C=C(C=N1)/C(=N\O)/N
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52952333	CN(C)/C(=C(\C#N)/[N+]#N)/O
53349101	C1=NC2=C([15NH]1)C(=O)N=[13CH]N2
53412042	CC(C)C1=[N+](C(=O)N=N1)N
53425996	CN1C=NC(=O)C(=C1N)N
53426415	CNC(=O)C1=C(C=NN1)N
53437717	C1=CNN=CC1=C(N)N=O
53471196	CN(C)/N=C/N(C)C(=O)N
53481384	C1=NC=NC2C1NC(=O)N2
53630237	C1=C2C(=NC=N1)C(=O)N=N2
53630847	C1=CC(=O)N=C2C1=NN=N2
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53631129	C1=CN=NC1=C2C=NNO2
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53631194	C1=NC(=C2N=CNO2)N=C1
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53643166	CCCN1C(=O)N(N=N1)C
53643417	CC1=C(ON=[N+]1N(C)C)N
53654363	C(C(CNCN)O)NCN
53705092	CC(C)N1C(=O)N(N=N1)C
53715788	C1C(C(CN1)N)C(=O)NN
53759441	C1=CN(N=C1)C2=NOC=N2
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53784779	CN1C(=NC=N1)CC(=O)N
53793172	C1=NC(=O)C2=C(N1)N=[14CH]N2
53807629	CC(C)(CN1N=CN=N1)O
53809538	C1=C(N=NN1CC=O)C#N
53824645	CCC(C)N1C(=O)N=NN1
53831071	C=CC1C(C(=O)N1)N=[N+]=[N-]
53831956	C1=NN=NN1CCCCO
53835050	C1C(=O)NC(N1)C(CN)N
53851192	C1=NC2=C(N1)[C@H](N=CN2)O
53851193	C1=NC2=C(N1)C(N=CN2)O
53864805	C(C=CC(=O)N)N=C(N)N
53877915	CCC(/C=N\NC(=O)N)N
53886141	C1=C2C(=NC=N1)[N+](=O)C=N2
53891770	C1N=CN=CN1CC(=O)N
53896640	C1=NN=NN1CCCC=O
53906135	CCOC(=NCN=[N+]=[N-])C
53950134	CCNC(=O)C1=NNN=C1
53960022	CC(C)(C#N)N=NNC=O
53964569	C1=C2C(=CN=NC2=O)N=N1
53966573	C1=C(C=NO1)C2=NNN=C2
53967058	CC1=NN=C(N(C1=O)N)C
53996970	CC(C)C(=O)C1=NNN=N1
54000856	CC(C)N1C(C(=O)NN1)N
54009310	C1CN(CCN1)N(C=O)N
54024989	CN(C=O)C1=NC=NC=N1
54042944	CC(=O)CCN1C=NN=N1
54055540	CC(C)(CN1C=NN=N1)O
54086471	CC(CC1=NC(=NN1)N)O
54124445	CC(=NC1=CC=NN1)NO
54135150	C1=COC(=C1)N2C=NN=N2
54145947	C1C=NN(O1)C2=CC=NN2
54181003	CCC(CN1N=CN=N1)O
54207032	C1=NC(=O)NN1CCC#N
54238443	CC(CC1=NNN=N1)CO
54239674	C1=CN=C(N1)C(=C[N+]#N)[O-]
54239675	C1=CN=C(N1)C(=C[N+]#N)O
54251611	CCON=C(C#N)C(=N)N
54266814	CN1C=[N+](C(=N1)CN=O)C
54278756	CNC(=O)CCN=C(N)N
54305513	C1C(N(C(=O)N1)C#N)C#N
54305662	COCC1=NC(=NC=N1)N
54307502	C1CC(OC1)C2=NNN=N2
54310883	CN=C(NO)N1C=CC=N1
54310968	CC(CN1C=NC=N1)N=O
54322234	C1=NC=NC1=C2NN=CO2
54346672	CC=C(C)N1C(=O)N=NN1
54382960	CN(C)C=NC1=NC=NO1
54383254	CCC=CN1C(=O)N=NN1
54385018	CC(C=NNC(=O)N)C#N
54405954	CCCC(N1N=CN=N1)O
54408526	C1CN(CCN1)C(=NO)N
54430539	CC1=[N+](C=C(N1N)CO)N
54493085	CCCC(N1C=NN=N1)O
54531364	CCC(CN1C=NN=N1)O
54553410	CN(C)C(=O)C1=NNN=C1
54592166	CCN=C(N)NC(=O)NC
54597723	C[C@@H]([C@@H]1CNC1=O)N=[N+]=[N-]
54597724	C[C@H]([C@@H]1CNC1=O)N=[N+]=[N-]
54608302	C1CN=NC1/C(=C\[N+]#N)/[O-]
55265278	C1=C2N=CNN2C=NC1=O
55280378	C1C(C2=NNN=C2CO1)N
55281022	CC1(C(=O)NN=C1NN)C
55281164	C/C(=N\N=C(N)N)/C(=O)C
55281182	CC1=C(N=C(N=N1)N)OC
55281250	C(=C(C#N)C#N)NC(=O)N
55281267	CC(=O)C1=C(N=C(N1)N)N
55281317	CN1C=C(C(=NC1=O)N)N
55281418	CC1=NC(=O)C(=NN1)CN
55281577	C1=C/C(=C(\N)/N=O)/NN=C1
55282144	CC1=NC(=NC(=O)N1C)N
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55283735	COCC(C1=NNN=C1)N
55283770	C1CNC(CN1)/C(=N\O)/N
55284000	CO/C(=C/1\C(=NC=N1)N)/N
55284089	C1=C(N(N2C1=CN=C2)O)N
55284100	CN1C(=NN(C1=O)C)CN
55284132	CC(=O)NN1C=CN=C1N
55284216	CN1C(=O)C(=CN=C1N)N
55284349	C(CC(=O)N=C(N)N)CN
55284361	C1=CN(N2C1=C(N=C2)N)O
55284363	C1=CN2C(=N1)C=C(N2O)N
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55284398	CC(=O)NC1=NNC(=C1)N
55284508	C1=CN(N2C1=NC=C2N)O
55284509	C1=CN(N2C1=C(C=N2)N)O
55284637	CCON1C(=CN=C1N)N
55284782	CCON1C(=C(C=N1)N)N
55284784	CCON1C=C(C(=N1)N)N
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55284949	C1=C(C(=C(N=C1N)N)O)N
55284971	C1=C(N=NN1CCN)C=O
55285012	CN1C=NC(=C1/C=N/O)N
55285094	CC1=CN/C(=C(/N)\N=O)/N1
55285168	C1=C(N(N=C1)CC(=O)N)N
55285280	CC1=COC(=N1)N=C(N)N
55285344	CCNC1=CN=C(N1O)N
55285347	CCNC1=NC=C(N1O)N
55285367	C(=C(N)N)C(=O)C=C(N)N
55285783	C1=CN2C(=C1N)N(C=N2)O
55285784	C1=CN(C2=C(N=CN21)N)O
55285852	COCC1=NNN=C1CN
55285926	C1=CN(C2=NC=C(N21)N)O
55286133	C1CNC(CN1)C(=O)NN
55286144	CC1=NC=C(N1)C(=O)NN
55286181	CC(C)(C(=NC=N)N)N=O
55286353	C(C#N)NC(=O)NCC#N
55286478	C1=NNC(=N1)/C=C\NC=O
55286515	CCCCN=C(N)NN=O
55286755	C1=NC(=O)N(N1)CCC#N
55286844	CNC(=O)/N=C(\N)/N(C)C
55286938	C1=NNC2C1C(=O)NC=N2
55287076	C1=CN2C(=N1)C(=O)N=CN2
55287106	C1CN=C(N1)C2=NOC=N2
55287824	CN(C)C1=NC=NC(=O)N1
55287955	CC(=O)NNC(=NC)NC
55288217	C1=C(NC=NC1=O)/C=N/N
55288386	CC1=NC(=NN1)NCCO
55288645	CN1C=NC(C1C(=O)N)N
55288653	CC1=NC(=O)N(C(=N1)N)C
55288835	C1=NC(=C(N1)C(=O)C#N)N
55288836	CC(C(=O)N1C=NC=N1)N
55288845	CC1=CC(=O)NN1C(=N)N
55289215	C/C(=C\1/C(=NC=N1)N)/NO
55289389	CC(N)NC(=O)NC(C)N
55289391	C(=C(\C#N)/C(=O)N=CN)\N
55289440	C1=C(C(=O)NC(N1)N)C#N
55289443	CC1=C(C(=O)C(=NN1)N)N
55289595	C/C(=C\C#N)/NNC(=O)N
55289649	C1CN=C(N1)NCC(=O)N
55289654	COC1=C(C(=CN=N1)N)N
55289719	CN=C(N)/N=C/C=C/NO
55289751	C1=C2C(=NOC2=NC=N1)N
55290006	C1=C(N(N=N1)CCN)CO
55290033	CC(=O)CC1=NC(=NN1)N
55290112	C1(C(=C(C(=C1N)N)N)N)O
55290212	C1=C(N=C(C(=N1)C=O)N)N
55290442	C(=N/C(=O)N)\C(C#N)C#N
55290530	CC(C)NC1=NN=C(O1)N
55290531	CCCNC1=NN=C(O1)N
55290580	CN1C=NC=C1/C(=N/O)/N
55290584	COC1=C(N=NC=N1)CN
55290602	COC1=NN=C(C=C1N)N
55290778	CC1CN(C(=N)O1)C(=N)N
55291155	C1=NC(=C(N1)CNCO)N
55291518	CC1=NN(C(=N1)C)C(=O)N
55291569	CN(C)/C=N/N(C)C(=O)N
55295895	C1=NNC2C1=NC=NC2=O
55298894	C1NC(=O)C2=NN=CC2=N1
55299286	C/C(=N\C1=NC=NN1)/OC
55300409	C1C2=CN=NN2CC(=O)N1
55300589	C1CN2C(=NNC2=O)CN1
55300743	C1=CC2=NNN(C2N=C1)O
55302679	CN/C(=C/1\C(=O)N=CN1)/N
56605069	C(CN=C(N)N)NCCO
56617296	C1C2=C(NC(=O)N=C2)NN1
56618300	C1C=NN(N1N)CCCO
56625353	C1C2=C(C(=O)NCN2)NN1
56628303	C1NC2=C(N1)NC(=O)N=C2
56634836	C1=C(NN=C1C(=O)N)CN
56635709	C1=C2C(NC(=O)N1)N=CN2
56638533	CNNC1=CC=NC(=O)N1
56638660	CCN(C1=NC=NC=N1)O
56828134	C(CC1=NC(=O)NN1)CN
56972750	C1CC(=O)C2=NN=NN2C1
57014674	C1=C2C(=NC=N2)NNC1=O
57025557	COC(=N)CN1C=NN=C1
57041976	C1=CN(C=N1)CNC(=O)N
57043873	C(CO)C(C#N)(C#N)N=N
57051139	C1=NNC(=C1N)NCCO
57053711	C1=C2C(=CN(C=N2)O)N=N1
57069965	CC(C)(C#N)N(C=O)N=N
57073785	C1CN=C(N1)CNC(=O)N
57078299	C1COC(=N1)C2=NNN=C2
57081274	C1=NN(C=N1)C(CC#N)O
57096157	C1=C2N=CC(=CN2N=N1)O
57114813	C1=CC2N(C=C1)N=NN2O
57134401	C1=COC(=N1)C2=NC=NN2
57150757	C1CN(CN1)N2CNOC2
57157792	C1=NC(=C2NN=CO2)N=C1
57172458	C1COC(=N1)C2=NC=NN2
57185975	CCN[N+]1(CCN=C1)NO
57224123	CN(C)N(CCO)C(=N)N
57225917	C1=COC(=N1)C2=NNN=C2
57233443	C(CC#N)CN=NNC=O
57246469	C1=C(C(=C(C(=N1)N)O)N)N
57265446	CN(C)N(C(=O)N)N(C)C
57267618	CCC1(C=NN=N1)C(=O)N
57268047	CCC1=NC(=NN1)C(=O)N
57297450	C(C(C#N)C#N)C(=O)NN
57305290	CC(C)[NH+]1C(=C[NH+](N1)O)N
57305291	CC(C)N1C(=CN(N1)O)N
57350038	CCCN=C(N)OC(=N)N
57353176	CN(C)N=CN(C)C(=O)N
57358636	C1CN(COC1)C(=NN)N
57368842	CN1C=C(C=N1)C(=NO)N
57416907	CC(CC(=O)N)(C#N)N=N
57427113	CCC/C=C/NN(NN)O
57438001	C1=NC(=O)C2=NN=[C]C2=N1
57440269	CCN(N(C)C)N(C)NO
57445100	C1=C(N=NN1CCN)CO
57453672	COC(C#N)N(CC#N)N
57484016	CC1N=NC(=NN1CO)C
57542543	C1CC(=O)N[C@H]1CN=[N+]=[N-]
57556055	COCCCC1=NNN=N1
57583087	CC1=NC(=O)N=C(N1)NC
57590580	C1CN(CC1O)/C(=N/N)/N
57605328	C1C2C(NC(=O)N1)N=CN2
57636748	[2H]C1=NC2=C(N1)C(=O)N=C(N2)[2H]
57674889	CC1=NC=NC2=NON=C12
57686779	C1CO[C@H](CN1)CN=[N+]=[N-]
57746137	C1=C(C=NO1)N2C=NC=N2
57746139	C1=CN(N=N1)C2=CON=C2
57765145	CNCCOCCN=[N+]=[N-]
57907592	CC(C(=O)C)N1C=NN=N1
57914382	CC(C)NC(=O)CN=[N+]=[N-]
57927615	CN1CCN2C1=NNC2=O
57931033	C1CN2C(=CC1=O)N=NN2
57939485	CC1=NN(N=N1)CCOC
57954860	CC(=O)N[C@@H]1C[C@H]1N=[N+]=[N-]
57987068	CN1C[C@H]([C@@H](C1)O)N=[N+]=[N-]
58064069	C1=[C]N=C2N1C=NC(=O)N2
58107963	[2H]N/N=C/1\C(=NN(C1=O)C)C
58157137	C1=CN2C(=CN=N2)C(=O)N1
58313046	CNC1=C(C=NN1)C(=O)N
58416676	[2H]CN1C(=C(C=N1)C(=O)N)N
58487559	CN1C=C/C(=C(\N)/N=O)/N1
58490206	CC1=NN=C(N=N1)CCO
58592626	CC(C1=NNC=NC1=O)N
58603899	CNC(=O)C1=NN=CN1C
58603979	CCN1/C(=C/N=O)/N=CN1
58618871	CC(C)(N=NCN=NC)O
58649721	C1CNC[C@H]([C@@H]1N=[N+]=[N-])O
58669324	C=C1NC2C(N1)NC(=O)N2
58684988	C/C(=N\NC(=O)NC)/CN
58710761	C(CC([NH3+])O)C[NH+]=C(N)N
58710762	C(CC(N)O)CN=C(N)N
58745547	C1CNC[C@H]([C@H]1N=[N+]=[N-])O
58745596	C1CNC[C@@H]([C@@H]1N=[N+]=[N-])O
58751689	CC1=NC(=NO1)CN(C)N
58759939	CC(C)OCC1=NNN=N1
58781492	C[C@@H](CN=[N+]=[N-])NC(=O)C
58813370	C1=C(N(N=C1)CCO)[N+]#N
58815478	CC(=O)NCC1=NNN=C1
58817093	C1=C[N+]2=CN=NC2NC1=O
58865142	C1CN[C@H]([C@H]1O)CN=[N+]=[N-]
58867947	C1=NN(C(=C1C#N)N)CO
58923829	[3H]C1=CNN2C1=NC=NC2=O
58974024	CNC(=O)CN1N=CC=N1
59000184	CC(C)(C)OC1=NNN=N1
59020733	CCC(N1C=NN=N1)OC
59020890	CN\1CCCO/N=N\N=C1
59044084	CC\1=NC=N/C1=C(/N)\NO
59058868	CCC1=NN(N=N1)CCO
59098194	CN1C(=O)N(N=N1)C2CC2
59136221	C1C2=C(C(=NN2)N)C(=O)N1
59139481	CC(C)OC1=NN=NC=N1
59142038	CC(CNN1C=NN=C1)O
59155237	CCN(CC1=NNN=C1)O
59208271	CNC(=O)C1=CN=NC1=N
59276011	COCCCN1N=CN=N1
59297006	CC(C)N1C(=NNC1=O)N
59447989	C1CO[C@@H](CN1)CN=[N+]=[N-]
59447993	C1COC(CN1)CN=[N+]=[N-]
59524443	CC(=O)C(CCN=[N+]=[N-])N
59639381	CCCONC(=NC#N)N
59684154	CC(=O)C1=NC(=NN1)NC
59749791	CC(=O)NC1=CC=NN1N
59883150	CC1=C(C(=NN1)CON)N
59898871	CN=C(N)NN=CC(=C)O
59939335	CC[C@@H](/C=N/NC(=O)N)[NH3+]
59939336	CC[C@@H](/C=N/NC(=O)N)N
59960037	CCC(CN(CN)NO)N
59979891	CN1CN(C2=NON=C21)C
59986966	CC1=NN(N=N1)CC2CO2
60142993	C1=C2NC(=O)N=CN2C=N1
60207557	CCCCNNC(=O)NN
60710150	COCN1C=NC(=N1)C#N
60710367	C1=NC(=NN1CCO)C#N
60711649	CN1C=CC(=N1)NC(=O)N
60718173	CNC(=O)CN1C=NC=N1
60723754	CCNC(=O)CN=C(N)N
60911453	COCCN1C=NC(=N1)N
60983677	CC(=O)NCC1=NC=NN1
60984994	CCO/C(=C\1/N=CN=N1)/N
61004409	C1=C(C=NN1)CNC(=O)N
61059545	C1=C(NN=C1)CNC(=O)N
61261973	C1=C(N(N=C1N)CCO)N
61277516	CCOCC1=NC(=NN1)N
61279338	CC1=NC(=NN1)C(CO)N
61342494	C#CC(=O)NCCN=[N+]=[N-]
61343608	C=CC(=O)NCCN=[N+]=[N-]
61344510	CCC(=O)NCCN=[N+]=[N-]
61360614	C1=NNC(=N1)C(CCO)N
61360784	CC(CC1=NC(=O)NN1)N
61360786	CCC(C1=NC(=O)NN1)N
61360981	CC(C)(C1=NC(=O)NN1)N
61361425	CC(C(C1=NC=NN1)N)O
61373443	C1CC1NC(=O)CN=[N+]=[N-]
61373631	CCNC(=O)C(C)N=[N+]=[N-]
61373661	CCN(C)C(=O)CN=[N+]=[N-]
61374562	CCCNC(=O)CN=[N+]=[N-]
61374580	CN(C)C(=O)CCN=[N+]=[N-]
61374946	C=CCNC(=O)CN=[N+]=[N-]
61375143	C#CCNC(=O)CN=[N+]=[N-]
61375729	C1CN(C1)C(=O)CN=[N+]=[N-]
61394055	C1=C(NN=C1)NC(=O)CN
61396591	CN(CCN=[N+]=[N-])CCO
61669080	C1=NC(=NN1CCCO)N
61712293	CNCCC1=NC(=O)NN1
61801052	CN=C(C1=NOC=C1)NN
61801840	CC1=NOC(=C1)/C(=N/N)/N
61812602	CCCOCC1=NNN=N1
61818149	CCNCC1=NC(=O)NN1
61993399	CC(C)(C1=NC(=NN1)N)O
62059584	C1=C(N=NN1CCO)CN
62326618	CCNC(=O)CCN=[N+]=[N-]
62358455	CC(C)(C(=O)N)N=C(N)N
62358629	CN=C(N)NCCC(=O)N
62358984	CNC(=O)CNC(=NC)N
62358985	CC(C(=O)N)NC(=NC)N
62359923	CC(C(=O)NC)N=C(N)N
62364142	CCNC(=NCC(=O)N)N
62481847	CC1=NOC(=N1)CNC#N
62482882	CN(C)CCN=C(N)NO
62588748	COCCC1=NC(=NN1)N
62596346	CCCC1=NOC(=N1)NN
62596516	C1CC1C2=NOC(=N2)NN
62596518	CC(C)C1=NOC(=N1)NN
62638712	CC(C1=NC(=O)NN1)NC
62676985	CC(CN)C1=NC(=O)NN1
62677330	CC1=NN(C(=N1)N)CCO
62691759	CN1C=NN=C1C(CO)N
62694915	CN1C(=NC=N1)C(CO)N
62711060	COCCN1C=NN=C1N
62721202	C/C(=N\N=C(N)N)/COC
62940416	CN1C=CN=C(C1=O)NN
62945142	C#CC(=O)NC1=NC=NN1
62949377	C1=NC(=NN1CC=O)C#N
62951066	C1=NC(=NN1CCO)CN
62951852	COCC1=NC(=NN1)CN
63109943	CN1C=NN=C1CN=C=O
63200921	CC(CC1=NN=NN1C)O
63556224	C1=C(NC(=NC1=O)CN)N
63557561	C1COCC1C2=NNN=N2
63562793	C1=CN=C(N1)NC(=O)CN
63891448	CNC(=O)CCCN=[N+]=[N-]
63938648	C\1COC/C1=N\N=C(N)N
64121606	CC(COC)C1=NNN=N1
64266069	CN1CCC(C1=O)N=[N+]=[N-]
64273249	C1=NC(=O)C=NC1=C(N)N
64404511	CN(CCC(=N)N)C(=O)N
64404922	CC(C)(C(=N)N)NC(=O)N
64406417	CCC(C(=N)N)NC(=O)N
64406833	C(CC(=N)N)CNC(=O)N
64407025	CCNC(=O)NCC(=N)N
64407032	CCN(CC(=N)N)C(=O)N
64408110	CC(CC(=N)N)NC(=O)N
64408290	CC(CNC(=O)N)C(=N)N
64408517	CC(C(=N)N)N(C)C(=O)N
64511095	CN(CC1=NC=NN1)C=O
64529986	C1=NNC(=N1)CCN=C=O
64531616	C1=NNC(=N1)CCNC=O
64541739	CCOC(C)C1=NNN=N1
64811320	C1=NN(C=N1)CC(CO)N
64867089	CC(COC)N=C(N)NN
64867304	COCCCN=C(N)NN
64867315	CCC(CO)N=C(N)NN
64867319	CC(C)(CO)N=C(N)NN
64868374	CN(CCOC)/C(=N/N)/N
64868817	CCOCCN=C(N)NN
64911493	CC(CCN=C(N)NN)O
64992735	CN1C=NN=C1CNC=O
65035341	CC(CN=C(N)NN)CO
65109162	CC(C)(CN=C(N)NN)O
65196336	CN1C=C/C(=C(/N)\N=O)/N1
65364543	COCN1C=NC(=N1)CN
65369127	CCOCN1C=NC(=N1)N
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65416407	CC(C1=NC(=NO1)N)NC
65416619	CCNCC1=NC(=NO1)N
65417060	C(CC1=NC(=NO1)N)CN
65417912	CCC(C1=NC(=NO1)N)N
65418130	CC(CN)C1=NC(=NO1)N
65418559	CC(C)(C1=NC(=NO1)N)N
65419211	CNCCC1=NC(=NO1)N
65464783	C1CC1(C2=NC(=O)NN2)N
65465208	C1CC1(C2=NC(=NO2)N)N
65602993	CN1C(=NC=N1)CNOC
65970993	C1C(CC1O)N=C(N)NN
66156011	CC1=CC(=NO1)/C(=N/N)/N
66165473	CC1=NC(=NN1)C(CN)O
66166308	CN1C=NN=C1C(CN)O
66166510	CN1C(=NC=N1)C(CN)O
66490788	C1=NNC(=N1)NCCCO
66490807	C1CN=C2N=CNN2C1=O
66615742	C1=C2C(=NC=N1)C=NNO2
66639745	C1=CC(=O)N=C2C1=NNN2
66649687	C1=C2C=NC=NC2=NN1O
66654703	C1=C2C=NC(=O)NN2C=N1
66654704	C1=C2C=NC=[N+](N2C=N1)[O-]
66654739	C1=C2C(=CN=N2)N(C=N1)O
66667980	C1=C2C=NN(C2=NC=N1)O
66667981	C1=C2C(=NC=N1)N=NC2=O
66669939	C1=CN=CN=C1.C(=O)(N)N
66678617	CC(CCN1N=CN=N1)O
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1516525	C[C@@]1(CCNC1)C(=O)O
1519330	C1COCCN1CC=O
1796509	C1C[C@H](C[NH2+]C1)C(=O)[O-]
1796510	C1C[C@H](CNC1)C(=O)O
2724753	C[C@](CC=C)(C(=O)O)N
2724810	C1C[C@H]([C@H](C1)O)C(=O)N
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2761541	C1C[C@H](NC1)CC(=O)O
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3017096	CC1(CC1)C(C(=O)O)N
3060518	CC1(CC1)[C@@H](C(=O)O)N
3084038	C1CN1.C1C(O1)C2CO2
3250245	C1CC1CNCC(=O)O
3506124	CNC(=O)C1CCCO1
3509091	CC1(CCNC1)C(=O)O
3580555	CCOC1CCC(=O)N1
3902621	COC(CC[N+]#[C-])OC
4097829	CC1CC(NC1=O)CO
4114360	COC(=O)C1CCNC1
4122651	CC1CNCC1C(=O)O
4125298	C1CNCC1CC(=O)O
4519556	CC1(CC1(C(=O)O)N)C
4627778	CC1CC1(C(=O)O)NC
5231810	C1CNCC(=C1)C(O)O
5242889	C1C=CC(CN1)C(O)O
5249233	C1CNCC=C1C(O)O
5259419	CC(C(C#N)C(C)O)O
5284432	CC/C=C(/CC)\[N+](=O)[O-]
5288385	C/C=C(\CCC(=O)O)/N
5364620	C/C=C/CCC[N+](=O)[O-]
5369115	CN(C)/C=C/C(=O)OC
5702611	C1C[C@H]([C@@H](C1)N)C(=O)O
5702622	C/C(=C/C(=O)OC)/NC
5705361	CCN/C=C/C(=O)OC
5706675	C1C[C@@H](NC1)CC(=O)O
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5846045	C/C(=C\C(=O)OC)/NC
6288476	CC/C=C(\CC)/[N+](=O)[O-]
6399043	CC(C)/C(=N\O)/C(=O)C
6399234	CCC/C(=N/O)/C(=O)C
6399236	CC(C)(C)C(=O)C=NO
6399239	CCCCC(=O)C=NO
6399240	CCCC(=O)/C(=N\O)/C
6399241	CC/C(=N\O)/C(=O)CC
6400709	CC(C)CC(=O)C=NO
6400710	CC(C)C(=O)/C(=N/O)/C
6433471	CCC/C(=C/C)/[N+](=O)[O-]
6433472	CCC/C=C(/C)\[N+](=O)[O-]
6441491	C/C=C/CC(C(=O)O)N
6444361	CC(C)CC(=O)/C=N\O
6445360	CC(C)C/C=C/[N+](=O)[O-]
6450039	CC(C)/C=C(/C(=O)O)\N
6452339	C=CCN.C=CC(=O)O
6480485	C1CCN(C1)C(=O)CO
6507991	CCC/C(=C\C)/[N+](=O)[O-]
6507992	CCC/C=C(\C)/[N+](=O)[O-]
6575388	C1C[C@@H](C[NH2+]C1)C(=O)[O-]
6575389	C1C[C@@H](CNC1)C(=O)O
6795112	CC(C)C(=NO)C(=O)C
6918961	C1CCC(C1)(C(=O)[O-])[NH3+]
6919062	C1C[C@@H]([C@@H](C1)[NH3+])C(=O)[O-]
6931652	C1C[NH2+]CCC1C(=O)[O-]
6931662	C1CC[NH2+][C@H](C1)C(=O)[O-]
6931663	C1CC[NH2+][C@@H](C1)C(=O)[O-]
6933507	CC(=NC)CC(=O)OC
6951136	C[NH+]1CCC[C@@H]1C(=O)[O-]
6951137	C[NH+]1CCC[C@H]1C(=O)[O-]
6951382	C1CC1C[C@@H](C(=O)[O-])[NH3+]
6951383	C1CC1C[C@@H](C(=O)O)N
6993663	C[C@]1(CCC[NH2+]1)C(=O)[O-]
6993664	C[C@]1(CCCN1)C(=O)O
6993890	C[C@@](C1CC1)(C(=O)[O-])[NH3+]
6993891	C[C@@](C1CC1)(C(=O)O)N
6994265	C[C@@H](C(=O)C)NC(=O)C
6994295	C1CC[NH+](C1)CC(=O)[O-]
6995036	C[C@H]1CC[C@H]([NH2+]1)C(=O)[O-]
6995037	C[C@H]1CC[C@H](N1)C(=O)O
6995038	C[C@@H]1CC[C@H]([NH2+]1)C(=O)[O-]
6995039	C[C@@H]1CC[C@H](N1)C(=O)O
7000067	C[C@](C1CC1)(C(=O)[O-])[NH3+]
7000068	C[C@](C1CC1)(C(=O)O)N
7000101	C[C@H](C(=O)C)NC(=O)C
7000157	CC(=C)C[C@@H](C(=O)[O-])[NH3+]
7000158	CC(=C)C[C@@H](C(=O)O)N
7009849	C=CC[C@H](CC(=O)[O-])[NH3+]
7014920	C1C[C@H]([NH2+]C1)CC(=O)[O-]
7015768	C[C@](CC=C)(C(=O)[O-])[NH3+]
7021941	C=CC[C@@H](CC(=O)[O-])[NH3+]
7054794	CCN=CCC(=O)OC
7098910	CCO[C@@H]1CCC(=O)N1
7098911	CCO[C@H]1CCC(=O)N1
7128348	C1C[C@@H](C[C@H]1C(=O)[O-])[NH3+]
7128349	C1C[C@H](C[C@@H]1C(=O)[O-])[NH3+]
7157108	C[C@H]1CC[NH2+][C@H]1C(=O)[O-]
7157109	C[C@H]1CCN[C@H]1C(=O)O
7157133	CC(C)[C@H]1COC(=O)N1
8063309	CCC[C@H]1COC(=O)N1
9209420	C1CC1C[C@H](C(=O)[O-])[NH3+]
9209421	C1CC1C[C@H](C(=O)O)N
9554252	CCC(C)C(=O)/C=N/O
9561111	CC(C)/C(=N/O)/C(=O)C
9570587	CCC/C(=N\O)/C(=O)C
9570604	CC(C)(C)C(=O)/C=N/O
9570621	CCCCC(=O)/C=N/O
9570622	CCCC(=O)/C(=N/O)/C
9570623	CC/C(=N/O)/C(=O)CC
9578349	CC(C)CC(=O)/C=N/O
9578407	CC(C)C(=O)/C(=N\O)/C
9833959	CCON1CCCC1=O
9920392	CC1(COC(=O)[C@@H]1N)C
9920393	CC1(COC(=O)[C@H]1N)C
9942149	C=CNCCCC(=O)O
9964094	C1CCN(CC1)C(=O)O
9989294	C/C=C(\C)/C(C(=O)O)N
10011919	CCOC(=NC(=O)C)C
10080424	COC(=O)NCCC=C
10103197	CNC[C@H]1CCC(=O)O1
10129965	CN(CCO)C(=O)C=C
10148994	C/C(=C\N(C)C)/C(=O)O
10154063	C1CC1C(CC(=O)O)N
10154064	C=CC(CC(=O)O)CN
10197698	CC(CNC(=O)C=C)O
10197699	CC(=C)C(=O)NCCO
10197700	CC(=O)N1CCC(C1)O
10219440	C=C[C@H](CCC(=O)O)N
10219441	CNCCOC(=O)C=C
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10396866	C=CC(=O)NCCCO
10396879	[14CH2]=CC(CCC(=O)O)N
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10534680	C[C@H]([C@H]1CN1)C(=O)OC
10534688	[2H]COC(=O)N1CCCC1
10582805	C1CCN(C(=O)C1)CO
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10582823	C1CCN[14C@@H](C1)[14C](=O)O
10606766	CCC(C[N+](=O)[O-])C=C
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10630508	C/C=C/[C@](C)(C(=O)O)N
10630514	C1CCN[C@@H](C1)[13C](=O)O
10630882	C[C@@H]1[C@H](OC(=O)[C@H]1N)C
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10725383	C1CNCCC1[14C](=O)O
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10772997	CC1CCC(=O)N1CO
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10796761	COC(C1CC1)NC=O
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10820543	CCC(=C[N+](=O)[O-])CC
10820544	C[C@@H]([C@@H]1CN(C1=O)C)O
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10909596	CON=C1CCOCC1
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11007924	CC[C@@H]1C[C@]1(C(=O)O)N
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11182619	CC1CC(=O)N1CCO
11182620	C1C[C@H]2[C@H]([C@H]([C@@H]1N2)O)O
11194347	C[C@@H]1[C@H]([C@@H](NC1=O)C)O
11209307	[2H]C([2H])(C(C)C)C(=N)C(=O)O
11217440	C1C[C@H]2[C@@H]([C@@H]([C@@H]1N2)O)O
11240492	CC1C(OC(=O)C1N)C
11286470	C/C=C/C(=O)N(C)OC
11297981	C/C=C/C=N/OCCO
11297982	C[C@H]([C@@H]1CCC(=O)N1)O
11332477	CC(=C)C(=O)N(C)OC
11332478	CC1CN(C1=O)CCO
11344033	CC(C)OC(=O)C1CN1
11355489	COCC(=O)NCC=C
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11378502	CC(C)(CO)[C@@H](C#N)O
11389399	C/C=C/C=C/C(=O)[O-].[NH4+]
11389400	C/C=C\NC(=O)COC
11412393	CC[C@@H]1COC(=O)[C@H]1N
11412394	C/C=C/NC(=O)COC
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11469093	CCO/C=C(\C)/C=N/O
11480457	CCCC(=O)CC(=O)N
11480458	C[C@@H]1[C@@H](C(=O)OC1C)N
11499218	C[C@@H]1C[C@H](CN1)C(=O)O
11528433	C1C2COCC(N2)CO1
11600672	C1CC1(CC(=O)O)CN
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11715181	C[C@H](CC(C#N)O)CO
11715182	C(CCO)CC(C#N)O
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11804784	CC[C@H]1C[C@@]1(C(=O)O)N
11815376	CC[C@@H]1C[C@@]1(C(=O)O)N
11815377	CC(C)(C(CC#N)O)O
11815873	CC(C)N(C(=O)C=C)O
11819100	C[C@H]1C[C@H](NC1=O)CO
11819101	CC/C=N/OCC1CO1
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11843065	CN(C)C(=O)C(=C)CO
11882158	C1C[C@@H](C[C@@H]1C(=O)[O-])[NH3+]
11882159	C1C[C@H](C[C@H]1C(=O)[O-])[NH3+]
11886827	C[C@H]1CC[NH2+][C@@H]1C(=O)[O-]
11953303	CCCC/C=C/[N+](=O)[O-]
11976962	COCCNC(=O)C=C
11997076	C[C@H]1[C@H](OC(=O)[C@H]1N)C
11997077	C[C@@H]1[C@@H](OC(=O)[C@H]1N)C
11997078	C[C@@H]1[C@@H](OC(=O)[C@@H]1N)C
11997079	C[C@@H]1[C@H](OC(=O)[C@@H]1N)C
12077515	COC(=C)C1NCCO1
12113193	CCC/C=C/C[N+](=O)[O-]
12116846	C1CCC(=O)NOCC1
12121040	C[C@H]1[C@@H](OC(=O)N1C)C
12137943	C=[N+](C1CCCCO1)[O-]
12141934	CC1=[N+](C(CO1)(C)C)[O-]
12163891	C1CCNC(=O)OCC1
12165556	C[C@H]1CC[C@@]1(C(=O)O)N
12168480	C1CC(=O)N[C@@H]1CCO
12175297	C=CCOC(=O)CCN
12196325	CC1(CC(=O)N(C1)C)O
12202793	CC1(CNC(=O)OC1)C
12238104	CCCN1CCOC1=O
12238105	CCN1CCCOC1=O
12270051	CC(=O)CN(C)C(=O)C
12305002	CC(=CC(C(=O)O)N)C
12318030	CC1(CN(C(=O)O1)C)C
12320769	CC1=N[C@@H](CO1)COC
12323447	CCOC(=O)/C=C/NC
12349565	C1CC(N(C1)C=O)CO
12349566	C1C[C@H](N(C1)C=O)CO
12349567	C1C[C@@H](N(C1)C=O)CO
12349950	CCCOC(=C)C(=O)N
12349951	CCCO/C=C/C(=O)N
12394592	CC1CC(=O)N(C1O)C
12394642	CC1(CC(NC1=O)O)C
12409454	CCN1CCOC(=O)C1
12415095	CC1CC(CC(=O)N1)O
12431730	CC(=O)C(C)(C)C(=O)N
12432035	CCOC(=O)C1CN1C
12432038	C[C@H]1[C@@H](N1C)C(=O)OC
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12480995	CC(=O)NCCOC=C
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12545432	CCOC1=NCCOC1
12564861	CCC(CC=C)[N+](=O)[O-]
12606693	CC(=NOCC1CO1)C
12610343	C1CC(C1CN)C(=O)O
12610344	C1C[C@H]([C@H]1CN)C(=O)O
12642259	CCC(=N)C(=O)OCC
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12710769	C[C@H]1C(=O)NC(O1)(C)C
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12735611	CC1N(CCO1)C(=O)C
12743423	CC(=C(C(=O)OC)N)C
12755837	C/C=C(/C)\C(C(=O)O)N
12755839	CCC(=C)C(C(=O)O)N
12755841	CC/C=C/C(C(=O)O)N
12765614	CC(C(=O)/C=C(/C)\N)O
12766108	CCN1CCOCC1=O
12774424	C=C(CCCN)C(=O)O
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12777350	C1C[C@H]([C@@H](C1)O)C(=O)N
12777351	C1C[C@@H]([C@@H](C1)O)C(=O)N
12786002	CC/C(=C\C(=O)OC)/N
12811926	CC(C)(CC=C)[N+](=O)[O-]
12816426	CCOC(=O)CNC=C
12845948	CCCCC(=C)[N+](=O)[O-]
12857769	C1CCC(C1)(C(=O)N)O
12874032	CC1(CC(=O)N1)CCO
12896377	C(C/C(=C/N)/C=O)CO
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22142027	C=CCC(CC(=O)O)N
22146069	C=C(CCCO)C(=O)N
22146077	CC(CC(=C)C(=O)N)O
22150112	CCC1CN(C1=O)CO
22150115	CCC1C(NC1=O)CO
22151373	CC1CCCN1C(=O)O
22243119	CC(=C)CNCC(=O)O
22256183	CCCC(=C)C(=O)NO
22263552	CC(=O)C1CNCCO1
22279724	CCC(C=C)(C(=O)O)N
22298068	CC1CC1C(C(=O)O)N
22323512	CCN1CC(=O)COC1
22323536	CCN1CCC(=O)OC1
22323552	CCN1CCCC(=O)O1
22323580	CCN1CCC(=O)CO1
22323601	CCN1CC(=O)CCO1
22325074	CN(C)C(=O)C1(CC1)O
22325142	CNC1(CC1)CC(=O)O
22328954	CC1C(=CN(O1)C)CO
22339858	C(CC=O)CC(C=O)N
22345762	CCC(C(=C)C(=O)N)O
22382241	CC(C)C1C(C(=O)N1)O
22386087	CC(CC1=NCCO1)O
22401191	C=CCC(CN)C(=O)O
22405574	CN(C)C(CC=O)C=O
22419290	C1N(C=CO1)CCCO
22420416	CC(CO)OCCC#N
22465240	CC(C=C)C(C(=O)O)N
22472122	CCC1CCN(C1=O)O
22491666	C1CC[N+](CC1)(C=O)[O-]
22504236	CC#N.C1COCCO1
22505793	CC1CCN(C1=O)OC
22571238	CCONC(=O)C(=C)C
22602330	CC1(NC(CO1)C=O)C
22624762	CCC(=C)C(=O)N(C)O
22671016	CC(C(=O)O)NC1CC1
22689056	CC1(C(=O)OCCN1)C
22714381	C1CC(COC1)C(=O)N
22717687	CC1=CCC(ON1)OC
22721714	CC(CCC=O)C(=O)N
22726194	CCN1CCC(C1=O)O
22751785	CC(=C)C(=O)OCNC
22761000	CC(C#N)OC(C)OC
22765667	C=CCOCC(=O)CN
22790191	CC1CCN[C@@H]1C(=O)O
22794415	C[C@@H]1CCCN1C(=O)O
22819060	CCC(=O)N[C@@H](C)C=O
22844907	C[C@@H]1CC(CN1)C(=O)O
22866097	C[C@@H]1C(CCN1)C(=O)O
22868725	CON1CCC[C@H]1C=O
22872601	C[C@H]1CNC(=O)C[C@@H]1O
22893020	C1COC(=O)CC1CN
22903117	CC1(CN(C=C1O)O)C
22904222	COCC(CC#N)OC
22922821	COCCC1=NCCO1
22948722	CC1C(CC(=O)O1)NC
22949116	CC1(COC(=O)N1C)C
22952971	C1CNCCC12OCO2
22957052	CC(CC(=O)N)C(=O)C
22960342	CN=CC1COCCO1
22966314	CN1CCC(C1=O)OC
22966676	C=CCOCON1CC1
22967027	CN1CC2(C1)OCCO2
22967054	C[N+]1(CC2CC1CO2)[O-]
22967068	CN1CC(C1)C(=O)OC
22976857	CC(C(=O)C)C(=O)NC
22980872	C/C(=N/OC)/CC(=O)C
22996994	COC1CCCNC1=O
23004196	CCC(=O)CC(=O)NC
23046786	CCOC(=O)/C(=C/N)/C
23050917	CCC1(COC(=O)N1)C
23051941	CCON(C)C(=O)C=C
23062929	CC(C)NOC(=O)C=C
23064766	CC(CC(=C)C(=O)O)N
23090380	C1CCC(C1)ONC=O
23118904	COC1CN=CC1OC
23212294	C=CC(=O)CCC(N)O
23260922	CC1(CNC(=O)C1O)C
23270972	C1COCN2C1COC2
23271010	CC(C)/C=C(/C)\[N+](=O)[O-]
23273392	CCC(C=C)OC(=O)N
23278669	CCOC(=O)/C=C\NC
23333377	CCC1C(OC(=O)N1)C
23353027	CC(CO)NC(=O)C=C
23381608	CC1CN(C1C(=O)O)C
23385902	CC(=O)CC(C(=O)C)N
23394348	CC=NC(C)C(=O)OC
23402577	CN1C(=O)CCCCO1
23402612	CN1CCCOCC1=O
23402613	CN1CCOCCC1=O
23405971	C1CC(C1)(CN)C(=O)O
23441306	CC(C)(/C=C/C(=O)O)N
23455423	CCCONC(=O)C=C
23456221	C/C=C/C(=O)OC(C)N
23461819	CCCNC(=O)C(=C)O
23467486	CC(=CNC(=O)OC)C
23515089	COC1(CCC1)C(=O)N
23522033	CC(=NOCC(=O)C)C
23525604	CCN(CC=O)C(=O)C
23527299	CC=C(C)CC[N+](=O)[O-]
23529629	CCC(=O)C(=O)NCC
23533158	CCC(=O)N(CC)C=O
23534248	CC(C(C=O)C=O)NC
23541376	CCOC([N+]#[C-])OCC
23550155	CCC(=O)NCC(=O)C
23562307	CCC1C[C@@H](C(=O)O1)N
23562694	CC(=O)NC1CCCO1
23565459	CC(=O)OC1CN(C1)C
23567761	CC(=O)NC(C)(C)C=O
23569492	CC1(CN1C)C(=O)OC
23574807	CC1(CCOC(=O)N1)C
23657258	C[C@@H](/C=C/CC(=O)O)N
23657261	C[C@@H](/C=C\CC(=O)O)N
23958158	CC1CC(C1)(C(=O)O)N
24206111	C1CC([C@@H]2OCC1O2)N
24229057	C1CC1C(=O)NCCO
24702667	CCOCCOCC#N
24820138	C[C@@H](C(=O)O)NC1CC1
24820161	C[C@H](C(=O)O)NC1CC1
24822208	C1CC(=NO)CCC1O
24973917	CC(=NC)CCC(=O)O
24978249	CN1C(CC1=O)CCO
25006178	C1CC(C1)CC[N+](=O)[O-]
25180222	CC[C@@]1(CNC(=O)O1)C
25200477	C1CC[NH2+]C(C1)C(=O)[O-]
25200624	C[NH+]1CCCC1C(=O)[O-]
25202592	C=CC(CCC(=O)[O-])[NH3+]
25241377	[2H]C1[C@@H]([C@@]1(C(=O)O)N)CC
25323732	C1CC1[NH2+]CCC(=O)[O-]
26342883	C1C[C@H]([C@@H]2OC[C@H]1O2)N
26342888	C1C[C@@H]([C@@H]2OC[C@H]1O2)N
28063308	CN1C[C@H](CC1=O)CO
28063309	CN1C[C@@H](CC1=O)CO
28064772	CC[C@@H]1COCC(=O)N1
28064773	CC[C@H]1COCC(=O)N1
28344998	CCCC(=O)NCC=O
28344999	CC(C)C(=O)NCC=O
28421625	CCN[C@H]1CCOC1=O
28830339	C=CC[NH2+]CCC(=O)[O-]
29413652	C[C@@H](C(=O)[O-])[NH2+]C1CC1
29413869	C[C@H](C(=O)[O-])[NH2+]C1CC1
29417541	CN(C)C=C(C=O)OC
29924788	C[C@@](CC=C)(C(=O)[O-])[NH3+]
29926511	CCO[C@H]1[C@H](N=CO1)C
29926514	CCO[C@@H]1[C@H](N=CO1)C
29926517	CCO[C@H]1[C@@H](N=CO1)C
29926520	CCO[C@@H]1[C@@H](N=CO1)C
29931871	C1CC(=O)N[C@H]1CCO
29945859	C1CC(C1)[C@@H](C(=O)[O-])[NH3+]
29945860	C1CC(C1)[C@@H](C(=O)O)N
29945866	C1CC(C1)[C@H](C(=O)[O-])[NH3+]
29945867	C1CC(C1)[C@H](C(=O)O)N
33778426	C[C@@H]1CC[NH2+][C@@H]1C(=O)[O-]
34177521	CC(=C)[C@H](CC(=O)[O-])[NH3+]
34177522	CC(=C)[C@H](CC(=O)O)N
34177525	CC(=C)[C@@H](CC(=O)[O-])[NH3+]
34177526	CC(=C)[C@@H](CC(=O)O)N
34178388	COC(=O)[C@@H](C1CC1)N
34178391	COC(=O)[C@H](C1CC1)N
36688289	C1C[C@H]([C@H](C1)[NH3+])C(=O)[O-]
36688290	C1C[C@H]([C@@H](C1)[NH3+])C(=O)[O-]
36688291	C1C[C@@H]([C@H](C1)[NH3+])C(=O)[O-]
36688377	C[NH+]1CC[C@H](C1)C(=O)[O-]
36688378	CN1CC[C@H](C1)C(=O)O
36688680	CC(=C)C[C@H](C(=O)[O-])[NH3+]
36688681	CC(=C)C[C@H](C(=O)O)N
36689054	C[C@H]1C[C@@H]([NH2+]C1)C(=O)[O-]
36689055	C[C@H]1C[C@@H](NC1)C(=O)O
36689056	C[C@@H]1C[C@@H]([NH2+]C1)C(=O)[O-]
36689166	CC1=N[C@](CO1)(C)CO
36691123	C[C@@H]1CC[C@@H](N1)C(=O)O
37134548	C1CC(C1)(CO)C(=O)N
38988720	C[NH+]1CC[C@@H](C1)C(=O)[O-]
38988721	CN1CC[C@@H](C1)C(=O)O
38989058	CC1=N[C@@](CO1)(C)CO
38989106	C[C@@]1(CCC[NH2+]1)C(=O)[O-]
39871617	COC(=O)C1CC(C1)N
40418732	C1CC1[C@@H](CC(=O)[O-])[NH3+]
40418733	C1CC1[C@@H](CC(=O)O)N
40418835	C1C[C@@H]([NH2+]C1)CC(=O)[O-]
40423736	C[NH+](C)C/C=C/C(=O)[O-]
40423875	C1CC1[C@H](CC(=O)[O-])[NH3+]
40423876	C1CC1[C@H](CC(=O)O)N
40423964	C[C@@H]1CC[NH2+][C@H]1C(=O)[O-]
40466946	C=C[C@H](CCC(=O)[O-])[NH3+]
40478982	C1C[NH2+]C[C@@H]1CC(=O)[O-]
40478983	C1C[NH2+]C[C@H]1CC(=O)[O-]
40479046	C[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-]
40479047	C[C@H]1C[NH2+]C[C@@H]1C(=O)[O-]
40479048	C[C@@H]1C[NH2+]C[C@H]1C(=O)[O-]
40479049	C[C@H]1C[NH2+]C[C@H]1C(=O)[O-]
40479233	C[C@H]1C[C@@H](NC1=O)CO
40479234	C[C@@H]1C[C@H](NC1=O)CO
40479355	C[C@@]1(CC[NH2+]C1)C(=O)[O-]
40479356	C[C@]1(CC[NH2+]C1)C(=O)[O-]
40507922	C/C=C/C[C@@H](C(=O)O)N
40507924	C/C=C/C[C@H](C(=O)O)N
40575531	C1CC1C[NH2+]CC(=O)[O-]
42614421	CC(=C)C(CC(=O)O)N
43265135	CN(CC(=O)O)C1CC1
43558716	CC(C(=O)NC1CC1)O
43558813	C1CCNC(=O)C(C1)O
43558818	C1CC1CNC(=O)CO
43824119	CCNC1CCOC1=O
44367875	C=C1CNCC(C1O)O
44520641	CC1(CCN1)C(=O)OC
44558822	CC1C(C(ON1)C)C=O
44616005	C1CC(C2OCC1O2)N
45078826	CC[C@@H]1C[C@@H](C(=O)O1)N
45078828	C[C@@H]1CC[C@@]1(C(=O)O)N
45078832	C[C@H]1C[C@@]1(C(=O)OC)N
45078834	C[C@@H]1CC[C@]1(C(=O)O)N
45078836	C[C@H]1C[C@]1(C(=O)OC)N
45078837	C1COC2C1C(CO2)N
45078841	COC(=O)[C@H]1CC[C@H]1N
45078843	COC(=O)CC1(CC1)N
45078847	CC[C@H]1CC1(C(=O)O)N
45078849	COC(=O)[C@@H]1CC[C@@H]1N
45085316	CCOC(=N)CC(=O)C
45085322	CC(=NCCO)C(=O)C
45085334	CC(=O)/C=C(\NC)/OC
45086547	C[C@@H](C(=O)O)NCC=C
45086560	CC(C=C)(C(=O)OC)N
45087377	CCN1CC[C@H](C1=O)O
45087383	CN1CCC(=O)OCC1
45087384	CC(=O)N(CCO)C=C
45087387	CCN1CC[C@@H]1C(=O)O
45087388	CCN1CC[C@H]1C(=O)O
45087391	C1CN2C1OCCOC2
45087393	CC[C@@H]1COC(=O)N1C
45116481	COC(=O)[C@@H]1C[C@H]1CN
45116487	COC(=O)[C@@H]1C[C@@H]1CN
45116488	CCN1CC1C(=O)OC
45357908	CCOC1C(N=CO1)C
46189451	C1C=C[C@@H](O1)[C@H](CO)N
46189629	C1C=C[C@@H](O1)[C@@H](CO)N
46201598	C1C[C@H](C=C[C@H]1NO)O
46840058	C1COC2(CN1)COC2
47003207	C1CC1COC(=O)CN
49866818	C[C@H]1C[C@]1(C(=O)O)NC
50998452	CNC(=O)C1CC(C1)O
51050394	CC[C@@H]1[C@H](CC(=O)N1)O
51050494	CC[C@@H]1[C@@H](CC(=O)N1)O
51400809	C1CC1(CC[NH3+])C(=O)[O-]
51673551	C1C[C@@H](COC1)C(=O)N
51673552	C1C[C@H](COC1)C(=O)N
51723454	CC(C)OC(=O)[C@@H]1CN1
51723456	CC(C)OC(=O)[C@H]1CN1
51885865	C[NH+](CC(=O)[O-])C1CC1
51900546	CC(=NOC[C@@H]1CO1)C
51900547	CC(=NOC[C@H]1CO1)C
51902298	C1C[C@@H]([C@H]2OC[C@@H]1O2)N
51902300	C1C[C@H]([C@H]2OC[C@@H]1O2)N
51980227	CO[C@@H]1CCCNC1=O
51980228	CO[C@H]1CCCNC1=O
52936370	C1C[C@@H]([C@@H]1CN)C(=O)O
53236056	CC1([C@H](N1)C(=O)OC)C
53276293	C1COC2COCC2N1
53337331	CCOC(CC#N)OC
53393209	CC[C@H](C)[C@@H](C(=O)O)[15N]
53393210	CC(C)C[C@@H](C(=O)O)[15N]
53395245	CN(C)CC=CC(=O)O
53397845	CC(C(=O)C=C(C)N)O
53407785	COC1CNCCC1=O
53407996	CC=CCNCC(=O)O
53408531	COC(=O)CC1CNC1
53409716	CCC(=O)OC1CNC1
53413332	CCOC(=O)C=CCN
53421257	CCC(C=CC(=O)O)N
53430195	CCCC(=CC(=O)O)N
53436902	COC(=O)CC[N+]1CC1
53436913	CC(=C(C)N)C(=O)OC
53439675	CC(C)(C)C=C[N+](=O)[O-]
53446953	CC(=CCCN)C(=O)O
53488445	CCOC(=O)C1CC1N
53509763	C1CC1COCC(=O)N
53665851	CCNCC=CC(=O)O
53675609	CCCCC(C#N)(O)O
53704144	CC(=C(C)C(=O)O)CN
53747934	C(CC=CO)CC=NO
53747973	CCCC(C(=O)C)N=O
53757951	CCOC(=O)CCC=N
53758397	CC(=C(CN)C(=O)O)C
53765940	CCC=CCOC(=O)N
53781097	CCOC=CC(=O)NC
53798852	CC(C)(C=C)OC(=O)N
53801470	C1[C@H](C(=O)N1)CCCO
53802224	C1CC(C1)COC(=O)N
53806640	C(CC(CC=O)N)C=O
53817844	CC(C)(C)C(=O)NC=O
53823052	CC=CCCC(=O)NO
53838863	CC1CCN(C1=O)CO
53854454	CC(C)(N)OC(=O)C=C
53857933	C[C@H]1CCCN1C(=O)O
53867389	CC(C#N)C(OC)OC
53887636	C1CCOC(C1)NC=O
53909407	CCC(C(=O)CC)N=O
53929780	CCOCC(=O)N1CC1
53930381	C[C@@H](C(=O)OC1CC1)N
53964500	C1CC(C1)CNC(=O)O
53978553	CCCC=CC(=O)NO
53979020	C1C[C@@H](C(C1)C(=O)O)N
53979544	CCOC(=C)C(=O)NC
53979743	CCC(C=CC(=O)N)O
53992342	COCC(=C)C=NOC
54000109	CCCC=CC[N+](=O)[O-]
54002418	CC(C)(NC(=O)C=C)O
54004459	CC(C)(CC=O)C(=O)N
54008294	C(CCC(=O)O)CC=N
54011708	CCCOC(=O)C(=N)C
54019814	CC1COCCN1C=O
54044358	C(CNCCC=O)C=O
54050524	CCCOC=CC(=O)N
54053238	CC(=O)OCC=CCN
54060761	CCN(CC)C(=O)C=O
54065533	CC(C)C(=O)C(C)N=O
54065839	CC(C1CC1N)C(=O)O
54078008	C1CC(=O)OC1CCN
54083765	CC(C)C(C(=O)C)N=O
54086603	CCC(=CC[N+](=O)[O-])C
54090286	CC1CN1CC(=O)OC
54111764	CCC(=O)ON=C(C)C
54111869	C=CCCCOC(=O)N
54113087	C1CC[14C](C1)(C(=O)O)N
54124747	CC(C(=N)C)C(=O)OC
54129846	C1CC1CCNC(=O)O
54132986	CCCCC=C[N+](=O)[O-]
54140582	CCCNC(=O)OC=C
54144522	CCCC(C=O)C(=O)N
54147212	CC1(CCNC(=O)C1)O
54160085	CCC(CC(=O)N)C=O
54163097	CCC(C)(C=O)C(=O)N
54164350	CCC1CNC(=O)OC1
54167476	CC=O.CC(=O)C=NC
54183107	CCC1C=CCON1O
54191089	CC1=CC(ON1)(C)CO
54191712	C(CC=O)C[C@@H](C=O)N
54197466	CNCC=CC(=O)OC
54207644	C1CC2(C(CC1O2)O)N
54213885	C[C@@H]1C(=O)NC(CO1)C
54214413	CCCC(=O)C(C)N=O
54220775	C1CNC12COCCO2
54228060	CC(=O)[C@@H]1C[C@H](CN1)O
54228061	CC(=O)[C@@H]1C[C@@H](CN1)O
54228902	COC1=NCCCOC1
54240191	CCOC=C(C)C(=O)N
54241756	C/C=C(\C)/C(=O)OCN
54243909	CC(C)(C)N(C=O)C=O
54253986	C[C@H]1CC(=O)NC[C@H]1O
54253987	C[C@@H]1CC(=O)NC[C@H]1O
54258025	CC(C)C(C=O)C(=O)N
54258278	C1CC1CCOC(=O)N
54258403	CC(C=O)C(C)C(=O)N
54261674	CCC(CC=O)C(=O)N
54266300	CN(COC)C(=O)C=C
54268782	C1CNC(C1=O)CCO
54269904	C(CN)C=CCC(=O)O
54272348	CCOC1=NCCC1O
54272983	CC(C)(CC(=O)N)C=O
54295101	CC=NC(=O)C(C)OC
54304903	CC(C)C(=O)N(C)C=O
54312234	CCC(C1CNC1=O)O
54314226	C(CC=CC(=O)O)CN
54324795	CC=CC(=O)OCCN
54335321	CCN1[C@H](COC1=O)C
54339787	CC(=CN(C)C)C(=O)O
54340132	C=CCOCCC(=O)N
54346107	C1CN(C1)CCC(=O)O
54349985	CC(C(=O)O)N1CCC1
54357236	C1CNC(=O)C1CCO
54369002	CC=CC(=O)NCCO
54372264	C(CC(CN)C=O)C=O
54378935	CCC(=C)C(=O)NCO
54387558	C1CN(CC1O)CC=O
54416384	CCCOC(=O)CC=N
54417724	CC([C@@H]1CCC(=O)N1)O
54433510	CCOC(=O)CN=CC
54444861	CC(CCC(=O)O)C=N
54447751	CCCCC(=N)C(=O)O
54453428	CC(=O)C(C)(C)NC=O
54457805	C1C(C=CC1N)COO
54458928	CC1CC(=O)NC1CO
54463212	CCCCC(=O)CN=O
54473326	C1CCN(C(C1)O)C=O
54474746	C=CC(CCN)C(=O)O
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54708620	C/C(=C(\C)/O)/C(=O)NC
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55284621	C1CC1[C@H](CC(=O)N)O
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55285582	C[C@@H](/C=C/C(=O)OC)N
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55285647	C1C=C[C@H](O1)[C@H](CO)N
55286052	C[C@@H](CO)[C@H]1CC(=O)N1
55286074	CCCOC(=O)[C@H]1CN1
55286205	C/C(=C\C(=O)O)/CNC
55286289	C[C@@H](C(=O)NCC=C)O
55286361	C/C(=C/NC)/C(=O)OC
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55286470	CC[C@@H]1NC(=O)[C@@H](O1)C
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55286494	CCC1CC(C(=O)N1)O
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55286568	CC1C(=O)NCC1(C)O
55286623	C[C@H]1C[C@H](CN1)C(=O)O
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55287188	CC1CC(=O)NCCO1
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55287572	CCCOC(=O)C1CN1
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55287617	C/C=C(/CNC)\C(=O)O
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55288499	C/C(=C\C(=O)NC)/OC
55288518	CC1(C(N1)CC(=O)O)C
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55288531	CC1(C(=O)NCCO1)C
55288568	C[C@H]1C[C@@H](OC1=O)CN
55288740	C/C(=C(/CO)\C(=O)C)/N
55288742	CC(C)(C(=C)C(=O)N)O
55288799	CCO/C(=C/C(=O)N)/C
55288906	C/C(=C\CN)/C(=O)OC
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55289545	C[C@]1(C[C@H]1C(=O)O)CN
55289548	C[C@@H]([C@@H]1[C@@H](C=CO1)O)N
55289566	CC(CC(=O)O)(C=C)N
55289749	CC(/C=C(/C)\C(=O)O)N
55289897	CCO/C=C(/C)\C(=O)N
55289946	CC(CC(=O)/C=C\N)O
55289947	C[C@@H](CC(=O)/C=C\N)O
55290000	CCO/C(=C/C(=O)C)/N
55290119	CC1(C[C@@H](C(=O)O1)N)C
55290160	CC(=O)/C=C(/COC)\N
55290183	C[C@@](C#C)([C@@H](CO)N)O
55290503	CC[C@@H]1CC1(C(=O)O)N
55290518	C[C@@H]1[C@@H]([C@H](C=CO1)N)O
55290614	CCO/C(=C\C)/C(=O)N
55290630	C/C=C(\C)/C(C(=O)N)O
55291067	CC/C=C(/C(=O)OC)\N
55291077	CC1C[C@@]1(CC(=O)O)N
55291177	C/C(=C(/N)\OC)/C(=O)C
55291256	CCC(=O)/C=C(/CO)\N
55291305	CC(=C)CCOC(=O)N
55291430	CC(C)(C(=O)/C=C\N)O
55291441	C[C@@](C#C)([C@H](CO)O)N
55298704	CC1CC(CNC1=O)O
55298705	CC1CC(=O)NCC1O
55298717	CC[C@H]1CN[C@@H]1C(=O)O
55298771	CC1COCCC(=O)N1
55298773	CCC[C@@H](C=O)NC=O
55298838	C1CN[C@@H]2[C@H]1OC[C@@H]2O
55298840	C1[C@@H]2CN[C@H]1[C@@H]([C@@H]2O)O
55298968	C[C@@H]([C@@H]1CCNC1=O)O
55298996	CC1(CCC(=O)NC1)O
55299047	C[C@H]1[C@@H](CCN1)C(=O)O
55299124	CC(C)[C@H]1CNC(=O)O1
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55299245	C1[C@@H](CNC1=O)CCO
55299276	COCC1CC(=O)NC1
55299324	C1C=C[C@H]([C@@H](N1)CO)O
55299338	CC[C@@H](C=O)NC(=O)C
55299433	C[C@H]1[C@](CC(=O)N1)(C)O
55299558	CCCOC(=O)NC=C
55299689	C[C@H]1C[C@@H](CC(=O)N1)O
55299727	CNC/C=C/C(=O)OC
55299845	C/C=C/CNC(=O)OC
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55299867	CCOC(=O)C1(CN1)C
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55299899	C[C@@H](C(=O)NC1CC1)O
55300103	C1CNC(=O)[C@H]1CCO
55300170	C[C@@H]1C[C@@H](C(=O)NC1)O
55300225	CCC[C@@H]1[C@H](N1)C(=O)O
55300243	C1CN[C@@H]1CCC(=O)O
55300266	CC1OC2CNCC2O1
55300387	CC1(CCNC(=O)O1)C
55300523	CC1CC1(C(=O)NC)O
55300530	CC[C@H]1[C@@H](NC1=O)CO
55300565	C1C(C2(CNC2)CO1)O
55300592	C[C@H]1CNCC1C(=O)O
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55300793	COC1C[C@@H]2[C@@H](N2)CO1
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55300797	CNC(=O)CCOC=C
55300836	C[C@H]1C(=O)OC(N1)(C)C
55300867	CCC1(CNC(=O)O1)C
55300868	C[C@H]1CC(=O)N[C@H]1CO
55300998	CC(C)[C@@H](C(=O)O)N=C
55301157	C[C@@H]1COC(=O)N[C@H]1C
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55302118	C[C@H]1[C@H](C(=O)N1)[C@@H](C)O
55302352	CCC(C)N=CC(=O)O
55303045	C[C@@H]1[C@H]2[C@H](N2)[C@@H](O1)OC
55303247	C[C@H]1CO[C@H](C(=O)N1)C
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55303840	C[C@@H]1C[C@H](N1C)C(=O)O
56606131	[14CH3][C@@H]1CCCN1C(=O)O
56616575	CCC=NC(=O)OCC
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56638787	CC=CCOC(=O)CN
56973972	COCCC1C=CNO1
56975191	CC(NC=O)OCC=C
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56988421	CC(C)(C)C(=O)CN=O
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57014477	CCN(C=O)OCC=C
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57020022	CC1=NC(COC1)CO
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57236815	CC=C(CN)C(=O)OC
57237923	CC(C=O)NCCC=O
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57263731	CCC(=O)OCC1CN1
57263943	CN(CC1CC1)C(=O)O
57269958	C=CC(=O)C(CCO)N
57279910	CCNC(=O)CCC=O
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57313991	C1CC(COC1)CN=O
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57517322	CC1(CNC1)C(=O)OC
57525217	C1COC2CCOC1N2
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57609429	CC=NOC1CCOC1
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57647825	CN(C)CC1COC1=O
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58604211	CN1C[C@@H](C2[C@@H](C1)O2)O
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58640109	CC(=O)N(C)CCC=O
58669481	CN1CC(C1)CC(=O)O
58713665	C=NCC1OCCCO1
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58880535	CC1COCN(C1=O)C
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58935660	[CH2-][NH+]1CCC[C@H]1C(=O)O
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59103793	CC1C(C(=O)CO1)NC
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59104997	CN[C@H]1[C@H](C[C@H]1O)C=O
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54025592	C1C2CC(C1C=C2)(N)N
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54040639	C#CC(C=CCCN)N
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54218764	C1CC2CNCC(=N2)C1
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54255425	CC1=C(N(C(=C)N1)C)C
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54286801	CCC1=C(N(C=N1)C)C
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55277634	C[C@H](C1=CC=CN1)NC
55278505	CC1CCC(C1N)C#N
55279173	C1C2CC3C1C3C2NN
55279174	C1[C@H]2C[C@H]([C@H]1C=C2)NN
55279519	C1C[C@H]2C=C[C@H]1C2NN
55281092	CC1(CC1)C(C)(C#N)N
55283794	CC1(C=CC=CC1N)N
55284774	CC(CCC=C)(C#N)N
55284788	CC1(CC(=CC=C1)N)N
55284862	CC/C(=C(/CC)\N)/C#N
55284896	C1CC[C@@H]([C@H](C1)C#N)N
55285233	CC1(CC=CC(=C1)N)N
55285293	C1C2[C@@H]3[C@H]2[C@@H](C1[C@@H]3N)N
55285339	C1C[C@@H](C[C@@H]1CC#N)N
55285408	CC(C)/C(=C(/C)\N)/C#N
55285421	C1C2[C@@H]3[C@H]2[C@@H](C1[C@H]3N)N
55285482	CC1=NC=CC1CCN
55286282	CC1=C(CN=C(C1)N)C
55286362	C/C=C/CNC(C)C#N
55286565	C1CC2CN=CNC2C1
55286953	CC1=CC=NC(N1)(C)C
55287141	C=CCNC=NCC=C
55287245	C1CCC2(C1)NC=CN2
55287783	CCNC/C=C/CC#N
55288062	CC1CN/C=C\C=C/N1
55288516	CC1(CCCCN1)C#N
55288530	CC1=CCNCN1C=C
55289134	CC1=CNC(=C1C)CN
55289248	CC1=CN(C=C1)CCN
55290176	CCCC/C(=C/N)/C#N
55290466	CC/C(=C(/CN)\C#N)/C
55290855	CC1CC1C(C)(C#N)N
55291955	CC[C@H](C1=CC=CN1)N
55292897	CCC(C1=CC=CN1)N
55293381	C1CC(C1)[C@@H](CC#N)N
55295444	C1CC(C1)C(CC#N)N
55297865	CC1=CC=C(N1)[C@H](C)N
55298776	C1CC=C2NCCN2C1
55298849	CC(C)(C)C1C(N1)C#N
55298866	C[C@@H]1CCC[C@H](N1)C#N
55298867	C[C@H]1CCC[C@H](N1)C#N
55299271	CC1=NCCCNC1=C
55299301	C[C@@H]1CC(=N[C@@H]2[C@H]1C2)N
55299610	CC(C)N/C(=C/C#N)/C
55299685	CC1=CC(=NCCC1)N
55300598	C[C@H]1CN[C@H]([C@H]1C)C#N
55300599	C[C@H]1CN[C@@H]([C@H]1C)C#N
55300650	C1CC2(C1)C=NCCN2
55300889	C1CC2=CCNCN2C1
55303244	CC1=CNC(=C(N1)C)C
56607400	CC1C=CCN(C1=N)C
56613472	CCNC1=NCC=CC1
56618074	C1CC=CC(C1)C(=N)N
56618651	CC1=CN(CC(=N)C1)C
56620788	CN=C1CC=CCN1C
56624006	CC1=CN(C(C=C1)N)C
56625157	CN=C1CCN(C=C1)C
56634669	CN(C)C1=NCC=CC1
56972730	C#CC1CCN(CC1)N
56992249	C1CN[C@@H]2CNCC2=C1
57044329	CCCC1=CN(N=C1)C
57052665	CCCNC1=CC=CN1
57059168	C1CC2CC1C(C2=N)N
57063053	CN(C)C1=CCN=CC1
57063086	C1CC2(CCNC2)N=C1
57108320	CCCCC(C=N)C#N
57122773	CC(C)C1=CNC=NC1
57131723	CC1CC(=CCN=N1)C
57153901	C1CCC=C(CC1)N=N
57164331	CN(C)C1=CN=CCC1
57189564	CCN1CC(=N)CC=C1
57198541	C1CC2(CCC1C2)N=N
57209820	C1CCC(CC1)C2=NN2
57216396	C1CC2CC1CC2=NN
57218464	CCCN1CN=CC=C1
57249722	CN1CN(C=CC=C1)C
57271571	C1CN2CC1CC(=N)C2
57304929	CC1CCN=C(C1)C=N
57445898	C[C@@H]1CCCN1CC#N
57515028	CC1(C=CN(C=C1)N)C
57543443	CC(CC1=CCC=N1)N
57558292	CN1C=CCC2C1N2C
57575411	C[C@H]1[C@H](CC[NH+]1[CH2-])C#N
57639772	C[C@H]1CCN(C1)CC#N
57671467	C1CNCC2=C1CCN2
57674492	CC(C)(C)C1=NCC=N1
57697923	[C-]#[N+]C1CCC(CC1)N
57749771	CC(C)(C)C1N=CC=N1
57753036	CN1CCCC(C1)[N+]#[C-]
57762202	CC(C)C(=NC)NC#C
57770604	CC(C)(C)C1C=CN=N1
57886197	CC1=NC(=NC1)C(C)C
57903896	CNCC1C=CNC=C1
57972542	C[N+]1=CC=[N+](C1)CC=C
57980454	CNC=CC=CC=NC
57985468	C[C@@H]1CNCCC1C#N
58003476	CC1=NCCC(=C)N1C
58074465	CCC1=C(C(=C)NN1)C
58077623	CCCC1=CCN=C1N
58082056	C/C(=C\C=C)/CC(=N)N
58091223	CCNCC1=CNC=C1
58095912	CN1C(=CCCN1)C=C
58153501	CC(C#C)N(C)C=NC
58164545	CNCCC1=CCC=N1
58167713	CC(=NC#N)C(C)(C)C
58168805	CN(C)CC1=CC=NC1
58180073	CC1=C(N=NC1)C(C)C
58219825	CCC1=NC(C1)N=CC
58225312	[2H]C1=C(N(C(=N1)C)C)CC
58238493	CCN([CH])CCN([CH])[CH]
58257080	CC(C)CC(=N)CC#N
58269953	CCCC1=C(NN=C1)C
58270096	CN(C)CC1=NCC=C1
58310011	CC(C)C1=CN=C(C1)N
58329348	CC(C)(C)C1C=NN=C1
58333503	CC1C(=CN=N1)C(C)C
58336987	CC(C)NC1=CC=CN1
58381456	C1C=CN=C1CCCN
58387233	CC[N+]1=CC=[N+](C=C1)C
58399737	CNC1=CCC=C1NC
58417983	CCC1=NC(=NC1)CC
58420429	CN1C=CC(=C1)N(C)C
58427185	C[C@@H](C1=NC=CC1)NC
58427201	C[C@H](C1=NC=CC1)NC
58483153	CCC1=CN=C(CC1)N
58546832	CC(C)N1CC(C1)C#N
58592546	CC(C)CC1=CNN=C1
58597338	CN1CCCCC1[N+]#[C-]
58641920	C[C@H]1[C@H](CC[NH+]1[CH2-])[N+]#[C-]
58663379	CC/C=C\N=N/C=C\C
58694909	CC(C)N1C=CNC1=C
58710558	CNC1=CC(=CC1)CN
58724340	C1CN2CNCC2C=C1
58724382	C1C=CCN2C1CNC2
58738294	CC(C)(C)C1C=NC=N1
58760431	CC1=CCC(=N1)CNC
58812201	CC1C=NN=C1C(C)C
58812319	C[C@@H]1CC[C@@H](N1C)[N+]#[C-]
58841141	[2H]N1C=CC=C1CN(C)C
58861791	CC(C)N1C=CNC=C1
58890549	CCC1=NN=C(C1)CC
58984556	CC1=NCCNCC1=C
58984558	CC1=C(N=NCCC1)C
58998312	CN(CC[CH])CC[N+]#[C-]
59014484	[CH2-]N1CC2(C1)CN(C2)[CH2-]
59020846	CC#CCN(C)C(=N)C
59085443	[2H]C1=C(N=C(N1)CC)CC
59114561	CC1CC(=NC)CC1=N
59114576	C=C1NCC2N1CCC2
59114936	CC(C)/C(=C\NC)/C#N
59146670	C1=CC=[N+](C=C1)CC[NH3+]
59154351	C1=CC(=CC=C1C[NH3+])[NH3+]
59164983	CC1=NN(C=CCC1)C
59165040	CC1=NN(CC=CC1)C
59165058	CC1=NN(CCC=C1)C
59171218	[3H]C1C(N2C(=N1)CC2(C)C)[3H]
59189983	CC1=CC(=CN1C)NC
59192706	CC(C)CC1=NC=NC1
59200315	[CH]N1CCCCCN1[CH]
59222468	C(/C=C/C=C/C=C/N)N
59261049	[C-]#[N+]CC1CCNCC1
59283354	CC1C(C2=C1NCN2)C
59312369	[CH2-][NH+]1CCCC(C1)C#N
59322361	CC1CC(=C)NC(=C)N1
59334734	CC1=C(CN=N1)C(C)C
59339338	C1CCC2=NNCC2C1
59346223	CC[C@@H](C)N1C=CN=C1
59397754	CCC1=CNC=NCC1
59401491	CC(C)C1=NC=C[NH+]1[CH2-]
59439449	CCC1=NN(C=C1C)C
59485340	CC1CCCCN1[N+]#[C-]
59511340	CC(C)CC1=CCN=N1
59553919	CC(C)(C)C1=CN=NC1
59689237	C[C@@H]1C[C@H](N(C1)C)C#N
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59701015	CC1C=NC(=NC1C)C
59730499	CNCCN1C=CC=C1
59746121	CCC1=C(N=CN1C)C
59749573	CC(C)C1=CNC(=C)N1
59755468	CCCCC1=C(C1=N)N
59794258	CC1=NC[C@H]2N1CCC2
59809513	CNNC1=CC=CCC1
59822118	[CH2-][NH+]1CCC(CC1)C#N
59827498	CC(C)(N)N1C=CC=C1
59831521	CC(C)(C)C1=CCN=N1
59854137	CC1=CN(C(=C)N1C)C
59881668	CCC=NC1=NCCC1
59881778	CC1C=CN=C(N1C)C
59930227	C1CCC2(C1)CN=CN2
59938504	CN1CC2C3C2(C1)C3N
59945715	CC(C)C1=CNNC=C1
59957275	C[N+]1=CC2(C1)C[N+](=C2)C
59970458	[2H]CC1=NC(=C(N1C)C)C
59975211	CC1=C(N(N([C]1)C)C)C
60002152	[2H]C1=CN(C=N1)C(C)(C)C
60016702	CC(C)N1C(=C)CC=N1
60035349	CN1CC(C1)CC[N+]#[C-]
60035428	CN1CCC(C1)C[N+]#[C-]
60085653	CCN(CC#C)C(=N)C
60106338	CCC1=C(N(N=C1)C)C
60112936	[CH]NC1CCN(CC1)[CH]
60112958	[CH]NCC1(CCC1)N[CH]
60125402	CC1=C2CCN2CN1C
60861470	C#CCN1CCC(C1)N
60912783	CC(CC#N)NC1CC1
60966032	CN(CC#N)CC1CC1
60974374	CC1CCCN1CC#N
60996081	CC(C#N)NCC1CC1
61224616	CC1CCN(C1)CC#N
61309956	CCNC(C#N)C1CC1
61310574	CN(C)C(C#N)C1CC1
61695739	CC(C#N)N(C)C1CC1
61696690	CCC(C#N)NCC=C
61888470	CC(C#N)N(C)CC=C
61893993	CC1(CC1NCC#N)C
61901070	CCN(CC=C)CC#N
61901238	C/C=C/CN(C)CC#N
61902565	CC(=C)CN(C)CC#N
62070564	C1CCC(C1)C(C#N)N
62381755	CC(C=C)N(C)CC#N
62398102	CC1CC1NC(C)C#N
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62414947	CC(C#N)NC1CCC1
62482045	C1CCC(C1)CNC#N
62483085	CC1(CCCC1)NC#N
62742749	CNC1CCCC1C#N
63174299	C1CC1C(=NC2CC2)N
63277966	CC1CCCC1NC#N
64002497	CC(CC1CC1)NC#N
64313534	CN(CCC=C)CC#N
64500328	CC1CCC(C1)(C#N)N
64917406	CCC(C#N)(C1CC1)N
65249733	C#CCCN1CC(C1)N
65249906	CC#CCN1CC(C1)N
65418784	C1C=CCN1C2CC2N
65482515	CNCC1(CC1)CC#N
65561194	C1CC1CCNCC#N
65958268	C#CCCNC1CNC1
66185274	CN(CC#C)C1CNC1
66187976	C1C=CCN1C2CNC2
66407752	CCN1C=CC(=C1)CN
66545334	CC1(CC=CC=C1)NN
66583809	CC#CC1CNCCN1
66586202	CC1(CC=C(C=C1)N)N
66592228	CC1(CC(=NC=C1)N)C
66621985	C1CC2CCNN=C2C1
66641412	CC1=CC(NN=C1)(C)C
66685646	C1C=CC=CC1C(N)N
66691057	CC1(CC=CC=C1N)N
66693008	CC1CN=C(N1)CC=C
66698029	CN1CC2CNC=C2C1
66729714	CCN1CC=CN=C1C
66742676	CC(=C)N1CN(C=C1)C
66750937	CNC1=CC=CCN1C
66758154	CCN.C1=CC=NC=C1
66763766	CCN1C=CN(C=C1)C
66770523	C[C@@H]1CC[C@@H](CN1)C#N
66824719	CC1=CC=CNC1(C)N
66854563	CC1=CCC(C=C1)(N)N
66872351	C1CN2CCNCC2=C1
66908700	CNC1=CC(CC=C1)N
67046085	C1CC2CN=CC(C1)N2
67177719	C/1CNNC/C=C\C=C1
67177720	C1CC=CC=CNNC1
67204212	CC1C=CC=CN1NC
67239375	C1C=CC2CNCC1N2
67250805	C1CCN2C(C1)C=CN2
67274153	C1CCC2(C1)CCN=N2
67278606	C1C[C@@H](C[C@H](C1)N)C#N
67283953	C1CC2CC=CNN2C1
67359640	C1CCC2(C1)CNN=C2
67390783	C1CC=C2C(C1)NCN2
67396481	CN1C[C@H]2CCNC2=C1
67429362	CC1CNCCN1C#C
67455024	CC1=CC(N(C=C1)C)N
67476715	CCC1=NCC(=C)N1C
67489488	CNC1=C(C=CCC1)N
67518520	CN1CC2CC1=CN2C
67547772	CC(C=C)N1CNC=C1
67547773	C=CCCN1CNC=C1
67568689	CCC1(C=CN=N1)CC
67591622	C1CC23CCC(N2)N3C1
67598729	C1=CC(NC=C1)CCN
67652792	C[C@@H]1CC(=N[C@@H]2[C@@H]1C2)N
67683241	C=CCCN1CCN=C1
67794950	CC1=CC2CNCC2N1
67796429	CC=C(C)N1CCN=C1
67819402	CC1=CCC(C=C1)NN
67831400	CCC1(NC=CC=N1)C
67831470	C=CCC1NCC=CN1
67833460	C1CN2CCC1NC=C2
67841129	CCC1=C(NC=C1)CN
67871428	C1CC2=C(C1N)CNC2
67925771	C=CN1CCN(C1)C=C
67935789	C1CC2CC(=NNC2)C1
67936095	C1C2CNCC1=CNC2
67968263	C1CC(=CC=C1CN)N
67991594	C[C@H]1C(N=CC(=N1)C)C
67991629	C[C@H]1CC=CC(=N1)NC
68004672	CC1=CN(C(=C1)CN)C
68013532	CC1C2C=NNC1C2C
68013886	CCC1C=CC=NC1N
68016366	CC1=CC=C(CC1)NN
68016375	C=C1CC(CC(=C)N1)N
68022384	CN[C@@H](CC1CC1)C#N
68040696	CCC1NC=CC=CN1
68042836	CC1=C(CC=N1)CCN
68046398	CNCC1CC=NC=C1
68061769	CCCN1CC(C1)C#N
68077891	C1CCC(=CC1)C(=N)N
68086589	C1CN(CCN1)C2=CC2
68097239	C1CC23C1CCN2CN3
68102902	CN1C[C@@]2(C3C2(C3)C1)N
68149175	C=CC(N)N1CC=CC1
68149179	C1C=CCN1CC=CN
68167450	C1CC2CC3(N2C1C3)N
68201895	CC1=NC(=C(NC1)C)C
68202657	CCCC1=NCCC=N1
68231546	C1CC(=CC=C1)CNN
68236941	CC[C@H](C)C1=CN=CN1
68242353	C[C@@H]1CCC=C1C(=N)N
68246032	CCC1=C(C=CN1N)C
68277946	C1CC2C=CCN2NC1
68278870	CCC(C)C1N=CC=N1
68292043	CC1(CCCC1N)C#N
68292044	C1CC(C(C1)C#N)CN
68309682	CN1C=C2C1CCNC2
68317467	CN1CC(C1)CCC#N
68372192	C1C2CN3CC2CN1C3
68381697	CCC1=C(C=NN1C)C
68479978	CCCC1=NCCN=C1
68546622	CC1=CC(=NC=C1)C.N
68556725	C1C=CC2C1CN(C2)N
68556728	C1CC2CN(CC2=C1)N
68591354	CCCN1CC=CN=C1
68611629	CC1C=C(NC(=N1)C)C
68677903	CCC1C=NC(=N1)CC
68738776	C1C=CC=C1CC(N)N
68740282	C1CC2(CC1C=C2N)N
68749369	C1CC=C2C(C1)CNN2
68793476	C=CCN.C1=CNC=C1
68834671	C1C[C@H](C[C@@H]1CC#N)N
68948023	C#CN1CCCNCC1
68965606	CC1(C=CC=CN1N)C
69013454	CN1CCC(C1=N)C=C
69078729	CC1=CCN(CC1)C=N
69151006	CN1CCC2C1=CNC2
69180873	CCN(C)N1C=CC=C1
69243726	CN1CC2CCNC2=C1
69293816	C1CCC2(C1)CC=NN2
69411570	C1CN2CCC=CN2C1
69429778	CN1C=CC=CC1CN
69500394	CC1(C(=CC=CN1)N)C
69506068	C1CC2CC1CC2N=N
69689430	C#CN1CCC(CC1)N
69702222	CC1=C(C=CN1)CCN
69748002	CCN(C)C1=CC=CN1
69756841	CC(N)N1CC=CC=C1
69777799	C1CNC1.C1=CNC=C1
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69821540	C1C[C@H]2NCC=CN2C1
69926638	CC1C2C(C1N=CN2)C
69930998	C=CC(=N)N1CCCC1
69930999	C=CCN1CCCC1=N
69959050	CC.C1=CC=NC(=C1)N
69999765	C=CCC1=NCCCN1
70037287	CC(C=C)N1CCN=C1
70037290	CC=CCN1CCN=C1
70058112	CN(C)CC1=CCN=C1
70064088	C1C2C=CC1[C@H]([C@H]2N)N
70108552	C1CC2CNCC2=NC1
70136576	CC1CCC(=N)C(=N)C1
70136646	CCC1(C=NN=C1)CC
70196129	C1CC2C1CC(C2)N=N
70209660	C[C@@H]1CC[C@H](N1C)C#N
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70215086	C1CNC2=CCCN2C1
70239020	C=CCC1NCCC=N1
70239022	C=CCN1CNCC=C1
70264724	CCC1(C=CC=CN1)N
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70349310	CC(=C)N1CCCN=C1
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70423110	CCN(CC)C1=CN=C1
70423643	CCC1=CC=CCN1N
70437834	CC1=CN(CC(=C1)N)C
70454117	CCC1C=NC=CN1C
70466403	CC(=C)CN1CCN=C1
70494742	CC1(CC=NC=C1)CN
70628692	C1CCC(NCC1)C#N
70637706	CCNN1CC=CC=C1
70656692	C1CN2CC=CCN2C1
70790030	C1C[C@@H]2CC[C@H](C1)N=N2
71279750	C1C[C@@H](C[C@@H](C1)N)C#N
71322395	CC(C)(C)C(=CC#N)N
71327496	CC(C)(C)C(=CN)C#N
71364573	CCCNC(=CC#N)C
71412310	CC=CCC1=NCCN1
71429556	C1CC1C(=NN)C2CC2
71443028	CCC1C(N=CC=N1)C
71692398	CC1(CCCNC1)C#N
71742549	C1CN1CC#CCCN
71775487	CNC1(CC=CC=C1)N
72207939	C1CC(CCNC1)C#N
72237153	CC1(CC2=NCCN21)C
72329047	C1CNCCC1C=C=N
72378535	CC1C(CC[NH+]1[CH2-])[N+]#[C-]
72378537	CC1C(CCN1C)[N+]#[C-]
72385941	CCC=CN=NC=CC
72385943	CCC=CNN=CC=C
72432362	CC1CCC(N1C)[N+]#[C-]
72520851	CC(C)C(=CNC)C#N
72534522	C(C=CC=CC=CN)N
72742325	CCCCNC=CC#N
72760477	CCC=C(C#N)N(C)C
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136839	CC1(CCC(=O)C=C1)C
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268168	C1CC2CC(C1)C(=O)C2
275994	C1CCC2=CCOC2C1
289902	C1CC1=C2CC2CCO
296908	CC1C=CC2C1C(C2)O
296911	C1CC2C=CC1C2CO
296978	CC12CCC(C1O)C=C2
300987	C1CC2C1CC3C(C2)O3
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329506	CC1CCCC(=O)C=C1
336742	C=CC1CCCCC1=O
339637	CC(C)(C=C)C=CC=O
419097	C1C2CC3C1C3C2CO
520476	CC1=CC(=O)CC1(C)C
521978	CCCC1=CC(=CO1)C
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534127	C1CC(C=CCC=C1)O
534214	CC1(CC2(C1=O)CC2)C
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548695	CC1(CC2CC1C=C2)O
548713	CC1C2CC(C1O)C=C2
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557106	C1CCC2C(C1)C2C=O
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560888	C=CC1(CC2CC1C2)O
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28064751	C1=CC(=CC(=C1)C[NH3+])C2=NN=N[N-]2
35754856	CN1C(=NN=C1N)C2=CC=CC=N2
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41024613	C1=CC=C(C=C1)[C@H](C2=NN=N[N-]2)[NH3+]
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42647404	C1=CC(=C(C=C1N2C=NN=C2)N)N
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43420019	CC1=NN(C(=C1)N)C2=NC=CC=N2
43531786	C1=CN=C(N=C1)N2C=C(C=N2)CN
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44139471	CC1=C(C=CC=N1)N=C(N)NC#N
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45077847	C1=CC2=C(C=C1N=C(N)N)NC=N2
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46845867	C1=CC(=CC=C1C#N)N=C(N)NN
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47002982	C1=CN=CC=C1CN2C=NC(=N2)N
50853407	CN1C=CC(=C1)/C=N\N2C=NN=C2
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50896536	CC1=NN(N=N1)C2=CC=C(C=C2)N
51584107	C1=CN=CC=C1C2=NN=C([N-]2)C[NH3+]
52174474	C1=CC(=CC=C1C[NH3+])C2=NN=N[N-]2
52943064	C1=CN=CC=C1N2C=C(N=N2)CN
53215400	C1=CC=C(C=C1)C2=NNC(=NN2)N
53299272	CC1=C(C=CC(=N1)N2C=NC=N2)N
53400445	C1=CC2C(=NC(=N2)N=C(N)N)C=C1
53636214	CC=CN1C=NC2=C1N=CN=C2N
53802623	C1=CC(=CC=C1C2=NC=NN2)NN
53894172	C1=CC=NC(=C1)CCC2=NNN=N2
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54129039	C1=CC=C(C(=C1)CC2=NNN=N2)N
54282274	C1CC2=NN=CN2N3C1=NC=CC3
54500694	C1=CC(=C(C=C1N2C=CN=N2)N)N
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54531529	C1=CC(=CC=C1C2=NNN=C2)NN
54563826	CN1C=NC2=C1N=CN3C2N=CC3
54567379	CNC1=NC=C2C=CC(=NC2=N1)N
55254613	C1=CN=CN=C1N2C=CN=C2CN
55254614	C1=CN=C(N=C1)N2C=CN=C2CN
55263552	C1=CN(N=C1)C2=NC=C(C=N2)CN
55263553	C1=CN(C=N1)C2=NC=C(C=N2)CN
55279649	CC1=NN=C(C2=C1C=CN=C2)NN
55280487	C1=CC=C2C(=C1)C(=NC(=N2)NN)N
55281530	CC1=CN=C2C(=N1)C=CN=C2NN
55281531	CC1=CN=C2C=CN=C(C2=N1)NN
55282851	CN=C(N)N1C2=CC=CC=C2N=N1
55295689	C1CC1(C2=C3C(=NC=N2)N=CN3)N
57180376	C1CC1NN2C=NC3=CN=CN=C32
57512895	CC1=NN(C=N1)C2=CN=C(C=C2)N
57674588	C1=CC=NC(=C1)C2=C(NN=C2N)N
57830294	CC1=NC(=NC=C1C2=CNN=C2)N
57837238	[C-]#[N+]C1=CC=C(C=C1)N=C(N)NN
57894773	CNC1=NC(=NC)C2=NC=CN=C21
57978075	CN1C2=C(C=CC=N2)C(=N1)C(=N)N
58065649	CC1=NN(C=N1)C2=NC=C(C=C2)N
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58149493	C1CC(C2=NC=CN=C2C1)N=[N+]=[N-]
58356024	CC1=CC(=CN=C1)N2C(=NN=N2)C
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58985452	C1=CC2=C(C=C1/C=N/N)C(=NN2)N
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59113538	CCC1=CN=C(C=N1)N2C=NN=C2
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60709743	C1=NC(=NN1CCCCC#N)C#N
60867193	CC1=C(C=NN1C2=NC=CC=N2)N
60892072	C1=CN=CC=C1CCC2=NNN=N2
60921119	C1=CC=C(C=C1)N2C=NN=C2NN
60966310	C1=CN=C(C=N1)NCC2=CC=NN2
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61000619	C1=CN=C(N=C1)NCC2=CNN=C2
61000852	C1=CN=C(C=N1)NCC2=CNN=C2
61145961	CC1=NC=CN1C2=NC=C(C=N2)N
61146134	CC1=CN(N=C1)C2=NC=C(C=N2)N
61176990	CC1=CN=C(C=C1)N2C=NC(=N2)N
61177169	CC1=NC(=CC=C1)N2C=NC(=N2)N
61225314	CC1=CC(=NC=N1)N2C=C(C=N2)N
61225513	CC1=CC(=NC=N1)N2C=CC(=N2)N
61253559	CN1C=C(C=N1)NC2=NC=NC=C2
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61285297	C1=CN=CN=C1NCC2=CC=NN2
61313922	CC1=NN=C(C=C1)N2C=C(C=N2)N
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61319780	C1=CC(=CC(=C1)N)C2=NC(=NN2)N
61725542	CC1=CC(=NC=C1)N2C=NC(=N2)N
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62202683	CN1C=C(C=N1)C2=NN=C(C=C2)N
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62208491	C1=CC(=NC=C1CN2C=NC=N2)N
62254780	CC1=C(N=CC=C1)N2C=NC(=N2)N
62292725	C1=CC(=NC(=C1)N2C=NC=N2)CN
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62295183	C1=CN(N=C1)C2=NN=C(C=C2)CN
62341348	CC1=C(N=CC=C1)C2=NC(=NN2)N
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62466328	C1=CC(=C(N=C1)N)CN2C=NC=N2
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62477015	CN1C=C(C=N1)C2=NC(=NC=C2)N
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62494643	CC1=NN(C=C1)C2=NC=C(C=N2)N
62673595	C1=CN(N=C1)C2=NC=CN=C2CN
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62677333	CC1=NN(C(=N1)N)C2=CC=NC=C2
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62700110	C1=CN=C(N=C1)CN2C=C(C=N2)N
62700673	C1=CN=C(N=C1)CN2C=CC(=N2)N
62760077	C1=C(C=NN1)NCC2=CN=CN=C2
62760928	C1=CN=CN=C1CNC2=CNN=C2
62761981	C1=CN=C(C=N1)CNC2=CNN=C2
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62951043	CCC(CC#N)N1C=NC(=N1)C#N
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63079790	C1CC1C2=NC(=C3C=NN=C3)NN2
63079791	C1CC1C2=NC(=NN2)C3=CC=NN3
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63260041	CC1=NC(=NN1)C2=CN=C(C=C2)N
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63986448	C1=CN=CN=C1CN2C=CN=C2N
63990229	C1=CN=CN=C1C2=NC=C(N2)CN
64040096	CC1=CN(N=C1N)C2=NN=CC=C2
64040305	CC1=CN(N=C1N)C2=NC=CN=C2
64041939	CC1=CN(N=C1N)C2=NC=NC=C2
64195271	C1=CN=C(C=N1)C2=NNC(=C2)CN
64195431	CNC1=NNC(=C1)C2=NC=CN=C2
64196927	C1=CN=C(C=N1)C2=CN=C(N2)CN
64199471	CC1=C(C=CN=C1)N2C=NC(=N2)N
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3056723	C1=CC(=CC(=C1)O)CC(C(=O)O)NN
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3162907	CC1=C(C(=NN1CC(=O)O)C)C(=O)C
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64314937	C=CCCN1C(=O)CCC(=N1)C(=O)O
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64981783	CCOC(=O)C1=NC(=NO1)C2CCC2
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65442636	C1C2C=CC1N(C2=O)CC(C(=O)O)N
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65452318	C#CCNC(=O)CNC1(CC1)C(=O)O
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65687720	CN1C(=O)CC(C1=O)NC(=O)C2CC2
65693898	CC(C)OC1=NC=CC(=C1N)C(=O)O
65695985	CCCOC1=NC=CC(=C1N)C(=O)O
65807816	C[C@@H](CO)NC(=O)C1=CC=CNC1=O
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65946386	CCOC(=O)C(C1=C(N=CC=C1)N)O
65952794	CCC1(CN(C1)C(=O)C2=NOC=C2)O
65953215	CCC1(CN(C1)C(=O)C2=CC=NO2)O
65955302	C/C=C/C(=O)NC1CCC(=O)NC1=O
65962745	C#CCCNC(=O)N1CC(C1)C(=O)O
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65970032	C1CC1C(=O)NC2CCC(=O)NC2=O
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66005795	C1C(CC1O)CNC(=O)C2=NOC=C2
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66061745	C/C=C/C(=O)N1CC(=O)NC(=O)C1C
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63547931	CCC(C(C)C1=NC=C(C=N1)[N+](=O)[O-])N
63553569	C1CNCCN(C1)C2=NC(=CC(=O)N2)O
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63556239	C1CN(CCN1)CC2=NC(=CC(=O)N2)O
63570784	C1CCN(C1)CC2=CC(=NO2)C(=O)NN
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63586809	CCOCC(=O)N1CCN2C=NN=C2C1
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63608339	CC1C(=O)N(CCN1)CC(=O)NCC#N
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63662629	C1CC(=O)NCC1NCC(=O)NCC#N
63730786	CCC(CNC1=CN=C(C=C1)[N+](=O)[O-])N
63731625	CCC(CNC1=C(C=NC=C1)[N+](=O)[O-])N
63731816	CCC(CNC1=C(C=CC=N1)[N+](=O)[O-])N
63731818	CCC(CNC1=NC=C(C=C1)[N+](=O)[O-])N
63732243	CCC(CNC1=NC=CC(=C1)[N+](=O)[O-])N
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63732762	CC1=CC(=CN=C1NCC(C)N)[N+](=O)[O-]
63732988	CC1=CC(=CN=C1NC(C)CN)[N+](=O)[O-]
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63794209	CC1=CC(=O)N(C(=N1)C)C(C)C(=O)NN
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63795978	C1=CN=CN(C1=O)CCCCC(=O)NN
63812298	CCC1=NC=CN1C(C)C(=O)NC(=O)N
63819909	CC1=CC(=NN1)NC(=O)C(C)NC(=O)C
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63864668	CC1CC1CN(C)C(=O)C2=NON=C2N
63902494	CCN1C(=CC(=N1)C)C(=O)NCC(=O)N
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63920687	CNC(CN1C=NC=N1)(C2CC2)C(=O)O
63956192	CCN(CC1CC1)C(=O)C2=NON=C2N
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64039065	CC1=CN(N=C1[N+](=O)[O-])CCNC2CC2
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64043087	CC(COC)OC1=NC=CN=C1C(=N)N
64053966	CC(=O)NCC(=O)N(C)CC1=CNN=C1
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64511051	CN(CC1=NC=NN1)C(=O)C2CCOC2
64512224	CN(CC1=NC=NN1)C(=O)C2CCCO2
64512401	CC1=NC(=NN1)CN(C)C(=O)OCC=C
64519809	CC1=NC(=NN1)CN(C)C(=O)CC(=O)C
64523246	C1CC1N(CCO)C(=O)C2=CC(=NN2)N
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64525043	C1CC(N(C1)C(=O)C2=CC(=NN2)N)CO
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64525476	C1CC1C(CNC(=O)C2=CC(=NN2)N)O
64525648	C1CC(COC1)NC(=O)C2=CC(=NN2)N
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64529568	C1C(CNC1C(=O)NCC2=NC=CN2)O
64529785	CC(=O)CC(=O)NCCCC1=NC=NN1
64531948	C1COC(CN1)C(=O)NCC2=NC=CN2
64538403	CC(C)(COC1=NC=CN=C1C(=O)N)N
64539344	CC(C(CNC(=O)C1=NC=CN=C1)N)O
64546791	C1COCC1C(=O)NCCC2=NC=NN2
64546935	C=CCOC(=O)NCCCC1=NC=NN1
64547967	C1CC(OC1)C(=O)NCCC2=NC=NN2
64575918	CC(CC(=O)O)N1CCN2C=NN=C2C1
64575934	C1CN2C=NN=C2CN1CCCC(=O)O
64576109	CCC(C(=O)O)N1CCN2C=NN=C2C1
64576112	CC(CN1CCN2C=NN=C2C1)C(=O)O
64581447	CC1=CN=C(C=N1)CNCC(C(=O)O)N
64582232	CC1=NC=CC(=N1)CNCC(C(=O)O)N
64592671	CC1=NC(=NO1)C(=O)N2CCN(CC2)C
64596101	CN(CCO)C1=CC=C/C(=C(/N)\N=O)/N1
64610377	CC1=NOC(=N1)CNC(=O)CC2CNC2
64694817	C1CN2C=CN=C2CN1C(CN)C(=O)O
64829848	CN(C)C1=NC=CC(=N1)N(C)CC(=O)O
64830238	CN(C)C1=NC=CC(=N1)NCCC(=O)O
64830829	CC(C(=O)O)NC1=NC(=NC=C1)N(C)C
64831440	CN(C)C1=NC=CC(=N1)NCC(=O)OC
64891007	CN1C(=CC=N1)NC(=O)C2(CCOC2)N
64891231	CC1=CC(=NN1)NC(=O)C2(CCOC2)N
64892298	CN1C=C(C=N1)NC(=O)C2(CCOC2)N
64892641	C1COCC1(C(=O)NCC2=NC=CN2)N
64892739	CN1C=CC(=N1)NC(=O)C2(CCOC2)N
64893594	C1COCC1(C(=O)NCC2=CNN=C2)N
64893615	C1COCC1(C(=O)NCC2=CC=NN2)N
64918863	CCC(C1CC1)N2C(=C(C=N2)[N+](=O)[O-])N
64975404	CCONC(=O)CN(C)C1=NC=CC=N1
65045502	CC1CCCC1N2C(=C(C=N2)[N+](=O)[O-])N
65188854	C1CC1C(CN)NC(=O)C2=CNC(=O)N2
65189117	CC1=NC(=NO1)C(=O)NC(CN)C2CC2
65191130	CCC(CN)NC1=NC=C(C=C1)[N+](=O)[O-]
65193479	CCC(CN)NC1=C(C=NC=C1)[N+](=O)[O-]
65193665	CCC(CN)NC(=O)C1=CNC(=O)C=N1
65193853	CCC(CN)NC1=CN=C(C=C1)[N+](=O)[O-]
65193904	CCC(CN)NC1=C(C=CC=N1)[N+](=O)[O-]
65193957	CCC(CN)NC1=NC=CC(=C1)[N+](=O)[O-]
65231448	CC(=O)NCC(=O)NCCC1=CN=CN1
65245068	CC1=CC(=NO1)NC(=O)CN2CC(C2)N
65250124	CC1=NOC(=C1)NC(=O)CN2CC(C2)N
65301920	CC1(CC(=O)N(C1=O)CCCN=[N+]=[N-])C
65314673	CC1=NN(C(=C1C#N)NC(CO)CO)C
65352174	CC1=CC(=NC(=N1)C2COCCO2)NN
65354584	CN1C=C(C(=N1)C(=O)N2CCC(C2)O)N
65355101	CN1C=C(C(=N1)C(=O)N2CCOCC2)N
65356662	C1COC(CO1)C2=NC=C(C(=N2)N)CN
65356886	CCC1=NC(=NC(=N1)C2COCCO2)N
65359274	CN1C(=C(C=N1)N)C(=O)N2CCC(C2)O
65362329	C1CNCC(=O)N(C1)CC(=O)NCC#N
65417676	CC1CN(CCN1)C(=O)C2=CNC(=O)N2
65418053	CC(=O)CCC(=O)NCC1=NN=CN1C
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65449176	CC1CN(CCN1)C(=O)C2=NOC(=N2)C
65451674	CC1=NN=C(N1C)CNC2(CC2)C(=O)O
65460213	C1CC(C1)COC(=O)CN2C=NC(=N2)N
65518670	CN1C(=CC=N1)NC(=O)C2COCCN2
65518695	CC1=CC(=NN1)NC(=O)C2COCCN2
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65519506	C1COCC(N1)C(=O)NCC2=NC=CN2
65519676	C1COCC(N1)C(=O)NCC2=CC=NN2
65520061	C1COCC(N1)C(=O)NCC2=CNN=C2
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15637	CC1=CC=CC=C1C2=NN=C(O2)N
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600245	CC1=NC(=C2C(=C1)C(=O)N=CN2)C
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641059	C1=CC=C(C=C1)CN2NC(=O)C=N2
641897	CC1=C(C=NC2=CC=NN12)C(=O)C
659620	COC1=CC=C(C=C1)N2C=NN=C2
665261	CON1C=NN=C1C2=CC=CC=C2
667652	CC1=NN(C(=O)C1)C2=CC=CC=N2
679338	CN1C=CC=C1/C=C(\C#N)/C(=O)N
679339	CN1C=CC=C1/C=C(/C#N)\C(=O)N
685075	C1C(=O)NN=CN1C2=CC=CC=C2
689025	C1=CC2=C(C=C1N)C(=CN2)C(=O)N
706122	CN1C=NC2=C(C1=O)C=C(C=C2)N
707096	C1=CC=C(C=C1)N2N=CC(=N2)CO
708707	C1=CC=C(C=C1)N2C=C(N=N2)CO
712388	C1=CC=C(C=C1)NC(=O)[C@H]2C(=N2)N
712457	C1=CC2=C(C(=C1)C(=O)NN)NC=C2
777119	C1C(=NNC(=O)N1)C2=CC=CC=C2
816623	C1=CC=C2C(=C1)C(=NNC2=O)CN
819574	CC1=NN(C(=O)C2=CC=CC=C12)N
820102	CN1C2=CC=CC=C2N=C(C1=O)N
821929	CC1=CC=C(C=C1)N2C=NNC2=O
833073	C[N+]1=C(C(=N)O[N-]1)C2=CC=CC=C2
900000	CC1=NC(=O)C2=C(N1)C=CC(=C2)N
965327	CN1C=NC2=C1C=CC(=C2)C(=O)N
965717	CCC(=O)N1C2=CC=CC=C2N=N1
1220252	CC1=CC(=NC=C1)NC(=O)CC#N
1359737	CC1=C(C(=O)N2C=CC=CC2=N1)N
1404058	CC1=CC(=O)N=C(N1)N2C=CC=C2
1510969	C1=CC=C(C=C1)[C@@H](C#N)NC(=O)N
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2318657	CC(=O)NN1C=NC2=CC=CC=C21
2386054	C1=CC=C2C(=C1)C(=O)N=C(N2)CN
2756634	C1=CC=C(C=C1)CC2=NN=C(O2)N
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2776490	C1=CC(=CC=C1CO)N2C=NC=N2
2777086	CNN1C=NC2=CC=CC=C2C1=O
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3013988	C1=CC=C(C=C1)CN(CC#N)N=O
3039311	CN1C(=NNC1=O)C2=CC=CC=C2
3042169	CN1C(=O)C2=CC=CC=C2N=CN1
3060512	C1CC2=NN=C(N2C1)C3=CC=CO3
3073821	CN1C=CC=C1C2=CN=CNC2=O
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3613728	CC1=C(N=CC=C1)NC(=O)CC#N
3613835	CC1C(O1)N2C3=CC=CC=C3N=N2
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3808787	C1C[N+](=CC2=CN=CC=C2)N=C1[O-]
3813173	C1C(O1)CN2N=C3C=CC=CC3=N2
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4021089	CC1=CC=C(C=C1)C2=NOC(=N2)N
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4151444	CC1=CC2=C(C=C1)NC(=NC2=O)N
4182229	CC1=CC=C(C=C1)N(CC#N)N=O
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4338827	CC(=O)NC1=CC2=C(C=C1)N=CN2
4387213	C1=CC2=C(C=CN2)C=C1C(=NO)N
4418044	COC(=C)N1C2=CC=CC=C2N=N1
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5410062	CN1/C(=C\N=O)/C2=CC=CC=C2N1
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5715116	CC1=CC2=C(C(=O)N=C2C=C1)NN
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14198972	C1=CC=C(C=C1)C(C#N)C(=O)NN
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15360563	C1=CC=C2C(=C1)C(=CC(=O)N2)NN
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26722525	C1=CC(=CC(=C1)N)C2=CC(=O)NN2
26792341	CO/C=C\N1C2=CC=CC=C2N=N1
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28063634	C1=CC=NC(=C1)C2=NOC(=C2)CN
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28819371	CC1=NC(=C2N1C=CC=C2)/C=N\O
29922281	C1=CC(=CC=C1CO)N2C=CN=N2
29922283	C1=CN=CC=C1C2=NNC(=C2)CO
29943882	C1=CC2=C(C=C1O)C(=C(N)N)C=N2
30772814	CC1=C2C=CC(=O)N=C2C=CNN1
33699212	CC1=CC=CC(=C1)C2=NC(=NO2)N
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33727030	CN1C2=C(C=CC1=O)C(=NC=C2)N
33784076	CC1=C(ON=C1C2=CN=CC=C2)N
33784096	CC1=C(ON=C1C2=CC=NC=C2)N
35579288	CC1=CC=C(C=C1)C2=NC(=NO2)N
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39911822	CC1=NC=C(N=C1)C(=O)NCC#C
40012440	CNC(=O)C1=CC=CC2=C1NN=C2
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40428574	C1=CC=C(C(=C1)CO)N2C=NC=N2
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42477796	CNC(=O)C1=NNC2=CC=CC=C21
42626399	C1=CC=NC(=C1)/C=N/OCCC#N
43142271	CC1=CC=C(O1)C2=NC=C(C=N2)N
43307131	CC1=CC=CC(=C1C)C(=O)N=[N+]=[N-]
43307139	CC1=CC(=C(C=C1)C(=O)N=[N+]=[N-])C
43307141	CC1=CC(=CC(=C1)C(=O)N=[N+]=[N-])C
43307154	CCC1=CC=C(C=C1)C(=O)N=[N+]=[N-]
43307157	CC1=CC(=C(C=C1)C)C(=O)N=[N+]=[N-]
43307169	CC1=C(C=C(C=C1)C(=O)N=[N+]=[N-])C
43316644	C1=CC(=C2C=CNC2=C1)C(=O)NN
43558852	C1=CC=C2C(=C1)C(=NC(=N2)CO)N
43559070	C1=CC=C(C=C1)C(C2=NOC=N2)N
43753528	C1=CC(=CN=C1)C2=C(C=NN2)CO
43810614	CC1=NC(=C2N1C=CC=C2)/C=N/O
44190079	CC(=O)NC1=CN=C2C(=C1)C=CN2
44245955	CC1=C(C(=NO1)C)C2=CN=CN=C2
44264192	CC1=C2C(=CC=C1)NC(=NC2=O)N
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44719777	CCC1=NN=C(O1)C2=CC=NC=C2
44725544	CC1=CC(=CC=C1)N2C=NC(=O)N2
44817332	C1COC2=CC=CC=C2C1N=[N+]=[N-]
44820609	CC1=C(C(=NO1)C)C2=NC=CC=N2
45076301	C1=CC2=C(C=CC(=C2N=C1)O)NN
45078200	C1=CC=C2C(=C1)N=CN2C(=O)CN
45078422	CC1=NC2=CC=CC=C2N1NC=O
45091186	COC1=NC(=C2C(=C1)CCN2)C#N
45098218	CC1=CC(=C2C(=C1)C(=O)N=NN2)C
45099639	CC1=C(N2C(=CC=N2)C(=N1)C)C=O
45099640	CC1=NC2=C(NC(=O)C=C2)N=C1C
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45099643	CC1=CN2C(=C(C=N2)C=O)C(=N1)C
45099645	CC1=NC2=CC=CC=C2N(C1=O)N
45099646	CC1=[N+](C2=CC=CC=C2N=C1N)[O-]
45099647	CC1=NC2=C(C=CC=C2N)NC1=O
45116111	C1C2=CC=CC=C2N=C1C(=O)NN
45118003	C1=CC(=NC2=C1C=CC(=N2)N)CO
45120950	C1=CC=C(C=C1)C2C(=O)NC(=N2)N
45121605	C1=CC(=C2C(=C1)N=CC=N2)CON
45121606	C1=CC2=NC=CN=C2C=C1CON
45121613	C1=CC=C2C(=C1)N=CC(=N2)OCN
45121722	COC1=CC2=NC(=CN=C2C=C1)N
45273978	C1C2=C(NC13CNC3=O)N=CC=C2
45788181	CC1=CC(=NC(=N1)C2=COC=C2)N
45788518	C1CC1C2=CN3C=CN=C3C(=O)N2
45788525	C1CC1C2=NC(=CN3C2=NC=C3)O
45790316	CC1=NOC(=C1C2=CC=NC=C2)N
45791550	C1=CC2=C(C(=C1)N)NC(=C2)C(=O)N
45791787	CN1C(=O)C=C(N1)C2=CC=NC=C2
46318190	CC1=CN=C2C(=C1)/C(=C/NO)/C=N2
46737971	CC(=O)C1=CC2=C(N=C1)N(C=N2)C
46864144	CC1=C(C2=C(C=C1)C(=O)N=CN2)N
46948602	CNC1=NC(=CN=C1)C2=COC=C2
47002145	CC1=NN(C2=NC=C(C=C12)C=O)C
47002157	CN1C(=O)CC(=N1)C2=CC=NC=C2
47003241	C1=CC2=NC(=CC(=O)N2C=C1)CN
47014452	C#CCNC(=O)NC1=CN=CC=C1
49652013	C1=CC=C(C=C1)C2C(=NNC2=O)N
49761470	C1CC1C2=CC(=O)N3C(=N2)C=CN3
49831022	CC(=O)N1C2=C(C=C(C=C2)N)C=N1
50875674	C1=C/C(=C\2/C=C(NN2)N)/C(=O)C=C1
50877669	CC1=NC(=NN1)C2=CC(=CC=C2)O
51062505	CC1=CC=C(C=C1)N2C=NC(=O)N2
51346183	C1=CC=C(C=C1)C(C2=NNN=C2)O
51615779	C1=CC=C(C=C1)[C@H]2C(=NNC2=O)N
52012035	CNC(=O)C1=NN2C=CC=CC2=C1
52435996	C1=CC(=CC2=C1C=CN2)/C(=N\O)/N
53231291	C1[C@H]2C/C(=N\O)/[C@@H]1C(C2)(C#N)C#N
53403668	C1=CC(=C2C=C(NN2)N)C(=O)C=C1
53404324	C1=CC2=C(C=CNC2=CC1=O)NN
53405054	CC(=O)C1=CC2=NC(=NC2C=C1)N
53408301	COC1=CC=CC2=C1C(=NC=N2)N
53415459	COC1=CC=CC=C1N2C=NC=N2
53416420	C1=CC=C(C=C1)NC(=O)C(C#N)N
53419059	C1=CC2=CC(=O)NC=C2C(=C1)NN
53420226	C1=CN=CC=C1C(C2=CN=CN2)O
53426201	CC1=NC(=NC(=C1)C2=CC=CO2)N
53438687	CC1=NC(=O)C2=C(N1)C=C(C=C2)N
53488009	C1=CC(=CC(=C1)N2N=CC=N2)CO
53643127	CC1=CC2=NC(=O)NN=C2C=C1C
53645299	C1C2=CC=CC=C2N=CN1C(=O)N
53682643	C1CC1C2=CC(=NO2)N3C=CC=N3
53750596	C1=CC(=CC=C1CC2=NC=NN2)O
53779439	CNC(=O)N(C#N)C1=CC=CC=C1
53834964	C1=CC=C(C=C1)CNC2=NN=CO2
53838562	CCN1C(=O)C=CC2=CN=CN=C21
53856772	C1=CC=C(C=C1)N(CC#N)C(=O)N
53876756	CC1=NC(=NO1)NC2=CC=CC=C2
53902881	CCC(=O)C1=CC=C(C=C1)N=[N+]=[N-]
53914177	C1C=NC=CN1C2=CNC(=O)C=C2
53951781	CCC1=CC2=NNC(=O)N=C2C=C1
53968205	C1C=NC2=CC=CC=C2N1C(=O)N
53969827	C1=CC=C(C=C1)N2C=C(C(=N2)N)O
53979377	CNC1=NC(=O)NC2=CC=CC=C21
53979570	C1C(=O)N(C=N1)NC2=CC=CC=C2
54046543	C1C=CC(=O)NN1C2=CC=CC=N2
54110095	C1=CC=C(C=C1)COC2=NNN=C2
54145595	CCC(=O)C1=CC2=NNN=C2C=C1
54210305	CC1=CC(=CC2=NNN=C12)C(=O)C
54219739	C1=CC=NC(=C1)COC2=CNN=C2
54228985	CN1C(=O)C=CC2=CN=C(C=C21)N
54229612	C1C(=CC2=C(N1)C=CC=N2)C(=O)N
54244445	C1=CC=C(C(=C1)CC2=NNN=C2)O
54245941	C1=CC=C(C(=C1)CO)C2=NNN=C2
54255638	CC1=NOC(=N1)NC2=CC=CC=C2
54260199	C1C2=CC=CC=C2N(C1=O)C(=N)N
54264099	C1=CC=C(C=C1)CC2=NNNC2=O
54284036	CC1=CC=CC=C1OC2=NNN=C2
54334858	C1=CC=NC(=C1)COC2=CN=CN2
54346196	COC1=NC2=CC(=NC=C2C=C1)N
54355537	C1CC2=C(N=C1)N3C=CN=C3CO2
54405885	CNC(=O)C1=CC2=C(C=C1)C=NN2
54426983	C1C=NC2=C(O1)C=CC(=C2)C(=N)N
54431835	C1=CC2=CN(OC=C2C=C1)C(=N)N
54436886	C1=CC=C(C=C1)C2=NN(C=C2O)N
54465050	CC1=CC(=C2C(=O)C=CC=N2)NN1
54520813	C1=CC2=C(N=C1)N(C=N2)CCC=O
54544891	C1C=NOC2=C1C=C(C=C2)C(=N)N
54563307	CC1=CC=CC=C1N2C=NC(=O)N2
54568172	CC1=C(C=CC(=C1)C(=O)NC#N)N
54584611	CN1C=C(C(=N1)C2=CC=NC=C2)O
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54594080	CNC1=NNC(=O)C2=CC=CC=C21
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54595312	CN(C)C(=O)C1=NC=C(C=C1)C#N
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55253217	C1=CC(=CC(=C1)O)C2=CC(=NN2)N
55253981	C1=CC(=C(C=C1N)C2=CN=CN2)O
55265771	COC1=C(C=CC=N1)C2=NC=CN2
55265959	C1CC1C2=CC3=NNC(=O)N3C=C2
55265979	C1CC1C2=NC3=NC=C(N3C=C2)O
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55266288	C1CC1C2=CC=NC3=NC=C(N23)O
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55266956	CN\1C=CN/C1=C/2\C=CC(=O)N=C2
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55280632	C1CN2C(=CC=C(C2=O)C#N)C1N
55281019	C1=CC(=CC=C1C2=NC=CO2)NN
55281202	C1=CC(=CC(=C1)NN)C2=CN=CO2
55281203	C1=CC=C(C(=C1)C2=CN=CO2)NN
55281209	C1=CC2=C(C=CNC2=O)C=C1NN
55281212	C1=CC2=C(C=CC(=O)N2)C=C1NN
55291839	CC(=O)C(C1=CN=C(C=C1)C#N)N
55292710	CC(=O)C(C1=CN=CC(=C1)C#N)N
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56605691	C1=COC=C1CN2C=CN=C2C=N
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56698880	C1=CC(=CC=C1CN)C2=NOC=N2
56730399	C1=CC(=CC2=C1C=CN2)/C(=N/O)/N
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57013778	C1=CC(=CC=C1CO)N=NCC#N
57026101	CC1=CC=CC=C1ON2C=NC=N2
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57181715	COC1(N=CN=N1)C2=CC=CC=C2
57202316	C1=CC2=C(C=C1NO)C=NC=CN2
57209765	C1CC(=N)N=NOC2=CC=CC=C21
57211615	CON=C(C#N)C1=CC(=CC=C1)N
57232502	C1=CC=C(C=C1)COC2=NC=NN2
57233168	C1=CC=C2C(=C1)C(=CN2)N(C=O)N
57256432	C1=CC(=CC=C1N2C=CC(=N2)N)O
57261133	C1=CC(=CC=C1N)N2C=CC(=O)N2
57267921	C1=CC=C(C=C1)CN2C=NNC2=O
57269097	C1=CC(=O)NNC1C2=CC=NC=C2
57274472	COC1=CN=C2C=CC(=NC2=C1)N
57340919	CN(C1=CC=CC=C1)/C(=C\[N+]#N)/[O-]
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57368648	C1=CN=CC=C1C2=NC=C(N2)CO
57368922	CC1=NC(=C2N1C=CC=C2)C=NO
57370258	C1=CC2=C(C=C1N)C(=CN)C(=O)N2
57421417	C1=CC2=C(C(=CN2)CC(=O)N)N=C1
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57561121	CC1=NC2=C(C=C1)C(=CC(=O)N2)N
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57642790	CC(=O)CN1C2=C(C=CC=N2)C=N1
57647284	CCC(=O)C1=C2C=CNC2=NC=N1
57653369	COC1=CC(=NC=C1)C2=NC=CN2
57672744	C1C2=CC=CC=C2/C(=N/O)/N=C1N
57763933	CN1C=NC(=C2C=CC=CC2=O)N1
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57763982	CN1C=N/C(=C/2\C=CC=CC2=O)/N1
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57774293	CCOC1=NC2=C(N1[CH])N=CC=C2
57790047	CCC(=O)NC1=CN=CC(=C1)C#N
57833925	CC1=CC=C(O1)C2=CN=C(N=C2)N
57839145	CNC1=C2C=CNC2=NC=C1C=O
57840320	CC1=CC(=C2C=CN(C=C2)O)N=N1
57859627	CC1=CC(=C2N1NC=NC2=O)C=C
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57874161	C/C(=C/O)/N1N=C2C=CC=CC2=N1
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57951210	CN1C=C2C=CC=C(C2=N1)C(=O)N
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57992229	CN1C(=CC2=C1N=CC=C2)C(=O)N
58011343	CNC(=O)C1=CNC2=C1C=CC=N2
58016674	CN1C=C(C=N1)C2=CNC(=O)C=C2
58081791	CNC(=O)C1=CC2=NCN=C2C=C1
58084224	CC(=O)C1=CN=CC2=C1C=NN2C
58084422	COC1=NC=C(C=C1)/C(=C\C#N)/N
58126363	CN1C=C(C=N1)C2=NC=C(C=C2)O
58147527	CC1=NN2C(=NC=C2C(=O)C)C=C1
58155414	C1CNCC2=C1NC(=O)C(=C2)C#N
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58169693	C=CCN1C=C2C(=O)CC=NC2=N1
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58200410	CN1C(=O)C=C(N1)C2=CC=CC=N2
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58237515	C1C([C@H](C2=CC=CC=C21)O)N=[N+]=[N-]
58280301	[C-]#[N+]C(C1=CC=CC=C1N)C(=O)N
58291689	CC1=CC(=NC(=N1)C2=NOC=C2)C
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58399217	CCC1=NN=C(O1)C2=CN=CC=C2
58399231	CCC1=NC(=NO1)C2=CN=CC=C2
58408201	CC(=O)C1=CC2=C(C=C1)N=NN2C
58431160	C1CC1(C2=NC3=C(O2)C=CC=N3)N
58433210	C1=CC2=C(C=C1C(=O)CN)NC=N2
58503734	CC1=CC(=CC(=C1)C2=NC=NN2)O
58515610	CC1=C(OC=N1)C2=NC=C(C=C2)N
58515621	CC1=NC=C(O1)C2=NC=C(C=C2)N
58515632	CC1=NC=C(O1)C2=CN=C(C=C2)N
58515637	CC1=C(OC=N1)C2=CN=C(C=C2)N
58521002	CC1=NN=C2N1C=CC=C2C(=O)C
58616033	CC(=O)C1=CC(=CC=C1)CN=[N+]=[N-]
58629983	C1C(OC2=CC=CC=C21)CN=[N+]=[N-]
58671709	C1=CC(=N)C2=CN(C=CC2=C1N)O
58719927	CC1=NC(=O)N(C2=C1C=CC=N2)C
58728273	CC(=O)C1=C2C(=CC=C1)NC(=N2)N
58742036	CNC(=O)NC1=CC=CC(=C1)[N+]#[C-]
58807430	C1CC2=C(C1)NC3=C(C2=O)NC=N3
58814016	COC1=NN(C=C1)C2=CC=CC=N2
58840936	CC1=CC(=O)NN1C2=CC=CC=N2
58845329	CC1=NC=C(C=C1)N2C=CNC2=O
58854623	CNC1=C2C(=O)C=CC=C2NC=N1
58879195	CC1=C2C(=NC=C1)C(=O)N(C=N2)C
58909487	C1C(C2=CC=CC=C2CO1)N=[N+]=[N-]
58911881	C1=CC(=CC(=C1)O)N2C(=CC=N2)N
58961152	CC1=NC(=NO1)CC2=CN=CC=C2
58985236	C1=CC(=O)/C(=C\2/C=CNN2)/C=C1N
59022771	CC1=C2C=CC=C(C2=NN1)C(=O)N
59061417	CC(=C)ON1C2=CC=CC=C2N=N1
59061918	CC1=NN(C2=C(C1=O)C=CC=N2)C
59099045	[C-]#[N+]CC(=O)NCC1=CN=CC=C1
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59127226	CN1C2=C(C=C(C=C2)C=O)N=C1N
59138790	C1=C(C=NC2=CC(=CN=C21)N)CO
59175386	C1COC2=C1N3C=C(N=C3C=C2)N
59176839	CC1=C(N2C=CN=CC2=N1)C(=O)C
59176842	CC1=C(N2C(=N1)C=CC=N2)C(=O)C
59214189	C1=CC(=C2C=CNC2=C1)/C(=N/O)/N
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59226945	CNC(=O)C1=C(C=CC(=C1)N)C#N
59226957	CNC(=O)C1=CC(=CC(=C1)N)[N+]#[C-]
59226976	CNC(=O)C1=C(C(=CC=C1)N)C#N
59233553	CC(=O)N1C2=C(C=N1)C(=CC=C2)N
59256523	C1=CC2=CN=C(N=C2C(=C1)O)CN
59256565	CC1=NC2=C(C(=O)NC=C2)N=C1C
59256585	C1=CC(=O)C2=NNC=C(C2=C1)CN
59256651	C1=CC(=O)C2=NC(=CNC2=C1)CN
59256681	C1=CC(=NC2=C(C=NC=C21)O)CN
59256704	CC1=C(N=C2C(=CN=CC2=O)N1)C
59256730	C1=CNC2=C(C1=O)N=CC(=C2)CN
59256764	CC1=C(NC2=CC=CC(=O)C2=N1)N
59284007	CC1=C2C=NC=CN2C(=NC1=O)C
59284037	CC1=C2N=CC=CN2C(=NC1=O)C
59284071	CC1=C2C=CC=NN2C(=NC1=O)C
59298815	CC1=CC=C(C=C1)N2C(=O)N=CN2
59337190	[C-]#[N+]C1=CN=C(C=C1)OC2CNC2
59340322	CC(=O)C1=CNC2=NC=C(C=C12)N
59362642	C1=CC2=C(NC=C2C(=O)CN)N=C1
59366150	CC1=NC(=NC2=C1C=CC(=O)C2)N
59402628	C1COCC2=NC3=C(N21)N=CC=C3
59403538	CC1=C(C=CC=C1[N+]#[C-])/C(=N/O)/N
59403545	CC1=C(C=CC=C1/C(=N/O)/N)C#N
59421489	CCC1=C2C=CC(=O)NC2=NC=N1
59432063	CC1=C(C=CC=N1)C2=NOC(=N2)C
59437296	C=CCN1C=CC2=C1C(=O)N=CN2
59488619	CC1=C2C(=CC=NC1=O)NC(=N2)C
59533521	CC1=NC2=C(N1)C=C(C=N2)C(=O)C
59535610	CC1=NC2=C(N1C)N=CC(=C2)C=O
59590546	[C-]#[N+]CC(=O)NC1=CC=CC=C1N
59654161	CC1=CC2=NN=CN2C=C1C(=O)C
59700404	CC1=NC=C(C=C1)C2=NN=C(O2)C
59708937	CC1=C2C(=O)C(=C)N(C2=NC=N1)C
59757399	CC1(C2=C(C3=CN=CN31)N=CO2)C
59802546	CC1=CN=C2N1C=CN=C2C(=O)C
59802552	CC1=CNC2=C1N=CN=C2C(=O)C
59809318	CC1=NC=C(C=C1)C2=NOC(=N2)C
59809361	CC1=NC=CC(=C1)C2=NOC(=N2)C
59841087	CC1=CC2=NC=CN=C2C(=O)N1C
59854946	CC1=C2C=NNC2=NC=C1C(=O)C
59903725	CC(=O)CC1=CC=C(C=C1)N=[N+]=[N-]
59938082	CC1=NC=C(C(=C1)NC(=O)C)C#N
60000944	CC1=NC=C2C(=C1)C(=O)N(C=N2)C
60060146	CC1=NC2=C(C=C1)NC=C2C(=O)N
60060149	CC1=CC2=C(C(=CN2)C(=O)N)N=C1
60079185	CC1=C2C=CC(=O)N(C2=NC=N1)C
60096113	CC1=C/C(=C(/C#N)\N=O)/NC(=C1)C
60669104	C1=CC=NC(=C1)C(=O)NCCC#N
60699304	CNC(=O)C1=CN2C=CC=CC2=N1
60753395	CC1=C(C=CC(=N1)C(=O)NC)C#N
60776939	C1=CC(=CC(=C1)CNC(=O)N)C#N
60792820	C1=CC2=C(C=C1N)C=C(N2)C(=O)N
60894136	CC1=CC=CC(=N1)C(=O)NCC#N
61005824	C1=CC(=CC(=C1)C(C(=O)N)N)C#N
61005960	C1=CC(=CC=C1C#N)C(C(=O)N)N
61035487	CC(=O)NC1=CC=CC2=C1C=NN2
61092027	C1=CC2=C(C=C1N)NC=C2C(=O)N
61118865	CC(C#N)NC(=O)C1=CC=CC=N1
61119065	CC(C#N)NC(=O)C1=CC=NC=C1
61119067	CC(C#N)NC(=O)C1=CN=CC=C1
61252779	C1=COC(=C1)CNC2=NC=NC=C2
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61256270	C1=CC(=C(N=C1)N2C=CC=N2)CO
61256480	C1=CN(N=C1)C2=CC(=NC=C2)CO
61256684	C1=CN(N=C1)C2=NC=CC(=C2)CO
61257297	C1=CC(=C(N=C1)N2C=CN=C2)CO
61290430	CC1=C(C=C(C=C1)N)C2=NN=CO2
61338110	C1CC1C2=NC(=NN2)C3=COC=C3
61338299	C1CC1C2=NC(=NN2)C3=CC=CO3
61352597	C1=CC=C2C(=C1)C=C(O2)C(=NN)N
61546946	C1=C(C=NC=C1C(=O)N)C#CCN
61624159	CN(C1=CC=CC(=C1)C#N)C(=O)N
61785344	CC1=C(C=CO1)C2=CC(=NC=N2)N
61826378	CC1=C(C=CC(=C1)N)C2=NN=CO2
61844586	CC(C#N)C(=O)NC1=CC=NC=C1
61846161	CC(C#N)C(=O)NC1=CN=CC=C1
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62066107	CC1=C(C=C(C=C1)C#N)NC(=O)N
62070261	C1=CC=C(C=C1)C(C2=NN=CO2)N
62140327	C#CCNC1=C(C=CC=N1)C(=O)N
62142425	C#CCNC1=CC(=NC=C1)C(=O)N
62198057	C1COCC2=C1N=C(C(=C2)C#N)N
62201895	CNC1=NC(=NC=C1)C2=CC=CO2
62201950	CC1=CC=C(O1)C2=NC=CC(=N2)N
62202501	CNC1=NN=C(C=C1)C2=CC=CO2
62204073	CC1=CC=C(O1)C2=NN=C(C=C2)N
62255710	C1=CC(=NC(=C1)N2C=CC=N2)CO
62267727	C1=CC(=CC(=C1)O)CN2C=NN=C2
62268802	C1=CC=C(C(=C1)CO)N2C=NN=C2
62340310	CC1=C(N=CC=C1)C(=O)NCC#N
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62683188	C1CC1COC2=NC=CN=C2C#N
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62683370	C/C=C/COC1=NC=CN=C1C#N
62716132	C1=COC(=C1)C(C2=CN=CN=C2)N
62747554	C1=COC(=C1)C2=NC=CC(=N2)CN
62758036	C1=COC(=C1)C2=NC=C(C=N2)CN
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62981031	CN(C1=CC=C(C=C1)C#N)C(=O)N
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63104610	C1C(CN1)OC2=CC(=NC=C2)C#N
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63204489	CNC1=NC(=NC=C1)C2=COC=C2
63282526	C1C(CN1C2=NC=CC(=C2)C#N)O
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63751321	CC1=NN(C(=C1C#N)OCC#C)C
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63810388	COC1=CC=CC(=N1)N2C=CC=N2
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63927181	C1=CN=CC=C1C2=CN=C(N2)CO
63949176	C1=COC=C1C(C2=NC=CN=C2)N
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63904808	CC1=NN(C(=C1)C2=NC(=NO2)C3=NC=NN3)C
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