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USPTO-680k

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21
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[H]CCN1CCN(C(=O)c2c([H])c([H])c([H])c([H])c2SCc2c([H])c([H])c([H])c([H])c2[H])CC1
[H][(CH2)z][R15]N1CCN(C(=O)c2c([H])c([H])c([H])c([H])c2SCc2c([H])c([H])c([H])c([H])c2[H])CC1
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[[14,12,4],[12,10,4],[10,9,4],[9,18,4],[18,16,4],[14,16,4],[16,17,1],[14,15,1],[12,13,1],[10,11,1],[9,7,1],[18,19,1],[21,30,4],[30,28,4],[28,26,4],[26,24,4],[24,22,4],[21,22,4],[30,31,1],[22,23,1],[24,25,1],[26,27,1],[28,29,1],[7,8,2],[7,6,1],[6,5,1],[5,4,1],[4,3,1],[3,33,1],[33,32,1],[6,32,1],[3,2,1],[2,1,1],[1,0,1],[...
[1*]C1CCC(CN/C2=N/OC3=CC=CC=C32)C(N([2*])[7*])C1.[1*]C1CCC(CN/C2=N/OC3=CC=CC=C32)C([N+](=O)[O-])C1.[10*]C.[10*]C.[8*]C.[8*]C.[9*]C.[9*]C
[1*]C1CCC(CN/C2=N/OC3=CC=CC=C32)C(N([2*])[7*])C1.[1*]C1CCC(CN/C2=N/OC3=CC=CC=C32)C([N+](=O)[O-])C1.[10*]C.[10*]C.[8*]C.[8*]C.[9*]C.[9*]C
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[1*]N([2*])C[C@H]1CN([3*])C(=O)O1
[1*]N([2*])C[C@H]1CN([3*])C(=O)O1
[[-1.6298,-0.3102],[-1.2173,-1.0247],[-1.6298,-1.7391],[-0.3923,-1.0247],[0.0202,-0.3102],[0.8048,-0.0553],[0.8048,0.7697],[1.6298,0.7697],[0.0202,1.0247],[-0.3923,1.7391],[-0.4647,0.3572]]
[[6,5,1],[6,8,1],[8,10,1],[4,10,6],[4,5,1],[6,7,1],[8,9,2],[4,3,1],[3,1,1],[1,0,1],[1,2,1]]
COCC1=CC=C(SC)C=C1
COCC1=CC=C(SC)C=C1
[[1.8356,0.0623],[1.2408,-0.6428],[0.5263,-0.2303],[-0.0309,0.0623],[-0.3661,-0.5182],[-1.0364,-0.5182],[-1.3715,0.0623],[-1.8356,0.4195],[-1.1211,0.007],[-1.0364,0.6428],[-0.3661,0.6428]]
[[10,9,2],[9,6,1],[6,5,2],[5,4,1],[4,3,2],[3,10,1],[3,2,1],[0,1,1],[2,1,1],[6,7,1],[8,7,1]]
CC(C)C1=CC2=C(C=C1)S(=O)C1=C(C=CC=C1)C2=O
CC(C)C1=CC2=C(C=C1)S(=O)C1=C(C=CC=C1)C2=O
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FC1=CC2=C(NN=C2NC2=NC(C3=C(Cl)N=CC=C3)=NC3=C2C=CC=C3)C(F)=C1.I.[I-94]
FC1=CC2=C(NN=C2NC2=NC(C3=C(Cl)N=CC=C3)=NC3=C2C=CC=C3)C(F)=C1.I.[I-94]
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[[21,20,2],[20,19,1],[19,11,2],[11,10,1],[10,9,2],[9,21,1],[11,12,1],[12,18,1],[18,17,2],[17,16,1],[16,15,2],[15,13,1],[13,12,2],[9,8,1],[8,7,1],[3,7,1],[7,6,2],[6,5,1],[5,4,1],[4,3,2],[13,14,1],[21,22,1],[22,23,2],[23,24,1],[24,25,2],[25,20,1],[4,26,1],[26,28,2],[28,1,1],[1,2,2],[2,3,1],[1,0,1],[26,27,1]]
[1*]N1CC[C@H]1[C@@H](N=[N+]=[N-])C1=CC=CC=C1.[6*]C
[1*]N1CC[C@H]1[C@@H](N=[N+]=[N-])C1=CC=CC=C1.[6*]C
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[[3,2,1],[2,1,1],[4,1,5],[4,3,1],[4,5,1],[1,0,1],[5,9,1],[9,10,2],[10,11,1],[11,12,2],[12,13,1],[13,14,2],[14,9,1],[5,6,5],[6,7,2],[7,8,2],[16,15,1]]
[1*]N1N=C(C(N)=O)C(NC(=O)C2=CC([4*])=CN=C2C[3*])=C1[2*].[1*]N1N=C([2*])C(NC(=O)C2=CC([4*])=CN=C2C[3*])=C1C(N)=O
[1*]N1N=C(C(N)=O)C(NC(=O)C2=CC([4*])=CN=C2[X][3*])=C1[2*].[1*]N1N=C([2*])C(NC(=O)C2=CC([4*])=CN=C2[X][3*])=C1C(N)=O
[[2.8334,-2.6642],[2.0084,-2.6642],[1.5235,-1.9968],[0.7389,-2.2517],[0.3264,-1.5372],[-0.4986,-1.5372],[0.7389,-0.8228],[0.7389,-3.0767],[0.0244,-3.4892],[-0.69,-3.0767],[-0.69,-2.2517],[-1.4045,-3.4892],[-1.4045,-4.3142],[-2.119,-4.7267],[-2.119,-5.5517],[-2.8334,-4.3142],[-2.8334,-3.4892],[-2.119,-3.0767],[-2.119,-2...
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CCOC(=O)[C@@H]1C[C@@H](NC2=NC=CC=N2)CN1C(=O)C1=C([C@H](C)N)OC(C2=CC=C(OC)C3=C2C=CC(C(F)(F)F)=N3)=N1
CCOC(=O)[C@@H]1C[C@@H](NC2=NC=CC=N2)CN1C(=O)C1=C([C@H](C)N)OC(C2=CC=C(OC)C3=C2C=CC(C(F)(F)F)=N3)=N1
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[[28,27,1],[27,26,2],[26,33,1],[33,32,2],[32,29,1],[29,28,2],[33,34,1],[34,35,2],[35,36,1],[36,41,2],[41,32,1],[29,30,1],[30,31,1],[26,25,1],[25,24,1],[24,20,1],[20,19,2],[19,42,1],[42,25,2],[36,37,1],[37,38,1],[37,39,1],[37,40,1],[20,21,1],[21,23,1],[21,22,6],[19,17,1],[17,18,2],[17,16,1],[16,5,1],[5,6,1],[6,7,1],[7,1...
II.[H]/C(C)=C(\C)C(=O)N[Y]N(C)C
II.[H]/C([R1])=C(\[R2])C(=O)N[Y]N([R3])[R4,]
[[-6.0939,2.4601],[-4.5916,2.4601],[-3.3239,1.6432],[-2.5728,0.3427],[-3.3239,-0.9577],[-1.0704,0.3427],[-0.3192,1.6432],[-0.3192,-0.9577],[-0.3192,-2.4601],[1.1831,-0.9577],[3.1643,-0.9577],[5.3474,-0.9577],[6.0986,0.3427],[6.0986,-2.2582]]
[[3,5,2],[3,2,1],[3,4,1],[5,6,1],[5,7,1],[7,9,1],[7,8,2],[9,10,1],[10,11,1],[11,12,1],[11,13,1],[0,1,1]]
[H][C@]1(C)CC[C@@]2(CC1)OC(=O)C1=C2[3H]=[U][V]=[W]1
[H][C@]1([Az])CC[C@@]2(CC1)OC(=O)C1=C2[3H]=[U][V]=[W]1
[[1.8497,-0.0351],[1.4372,-0.7495],[2.2622,-0.7495],[1.0247,-1.464],[0.1997,-1.464],[-0.2128,-0.7495],[0.1997,-0.0351],[1.0247,-0.0351],[-0.8803,-1.2345],[-1.5477,-0.7495],[-2.2622,-1.162],[-1.2928,0.0351],[-0.4678,0.0351],[-0.0553,0.7495],[-0.4678,1.464],[-1.2928,1.464],[-1.7053,0.7495]]
[[11,12,2],[12,13,1],[13,14,2],[14,15,1],[15,16,2],[16,11,1],[11,9,1],[9,8,1],[5,8,5],[5,12,1],[5,4,1],[4,3,1],[3,1,1],[1,7,1],[7,6,1],[6,5,1],[9,10,2],[1,0,5],[1,2,6]]
CCC(O)(CC)C1=CC=C(C2(C3=CC(C#N)=CC(F)=C3)CCN(CC3CC3)CC2)C=C1.CCC(O)(CC)C1=CC=C(C2(C3=CC(C(N)=O)=CC(F)=C3)CCN(CC3CC3)CC2)C=C1.[KH]
CCC(O)(CC)C1=CC=C(C2(C3=CC(C#N)=CC(F)=C3)CCN(CC3CC3)CC2)C=C1.CCC(O)(CC)C1=CC=C(C2(C3=CC(C(N)=O)=CC(F)=C3)CCN(CC3CC3)CC2)C=C1.[KH]
[[-0.5499,8.3283],[-1.2643,8.7408],[-1.9707,8.3283],[-1.9707,9.1533],[-2.775,8.3265],[-3.3584,8.9099],[-1.3932,7.7456],[-0.594,7.9622],[-0.0113,7.3718],[-0.2228,6.5829],[0.1897,5.8688],[0.6022,6.5829],[1.1799,6.0004],[1.9791,6.2117],[2.5615,5.6284],[3.3584,5.8419],[2.1904,7.0032],[1.6103,7.5833],[1.6103,8.4083],[0.8008...
[[52,53,1],[53,54,1],[54,59,1],[59,60,1],[60,41,1],[52,41,1],[54,55,1],[41,40,1],[41,42,1],[42,43,2],[43,44,1],[44,48,2],[48,49,1],[49,51,2],[42,51,1],[40,39,2],[39,38,1],[38,37,2],[37,62,1],[62,61,2],[40,61,1],[37,33,1],[33,34,1],[49,50,1],[55,56,1],[56,57,1],[57,58,1],[56,58,1],[44,45,1],[45,47,2],[45,46,1],[33,32,1]...
CCCCCCCC/C=C/CC/C=C/C1CC(C(=O)O)C(CC(=O)O)(C(=O)OC(C(=O)O)C(CC)C(=O)O)O1.II
CCCCCCCC/C=C/CC/C=C/C1CC(C(=O)O)C(CC(=O)O)(C(=O)OC(C(=O)O)C(C[COOH.])C(=O)O)O1.II
[[-8.2535,1.1174],[-7.4319,0.6338],[-6.5869,1.0892],[-5.7653,0.6056],[-4.9296,1.061],[-4.108,0.5775],[-3.2629,1.0282],[-2.4507,0.5446],[-1.6103,1.0],[-0.784,0.5164],[0.0563,0.9718],[0.8732,0.4883],[1.7136,0.9437],[2.5399,0.4601],[3.3709,0.9155],[3.6385,1.8404],[4.5822,1.8216],[5.5587,3.4225],[4.8075,4.723],[7.0516,3.42...
[[2,3,1],[3,4,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[8,9,2],[9,10,1],[10,11,1],[11,12,1],[12,13,2],[15,14,1],[14,38,1],[38,20,1],[20,16,1],[15,16,1],[13,14,1],[20,25,1],[25,27,1],[27,28,1],[28,32,1],[16,17,1],[20,21,1],[21,22,1],[25,26,2],[28,29,1],[32,35,1],[34,33,1],[32,33,1],[2,1,1],[1,0,1],[17,18,2],[17,19,1],[22,23,2...
CCCC1=CC=CC=C1.[1*]C.[15*]C1([16*])OCC2=CC(C(C)C3=CC=CC=C3)=CC=C2O1.[2*]C.[3*]C
C[O(CH2)mZ][(CH2)p]C1=CC=CC=C1.[1*]C.[15*]C1([16*])OCC2=CC([CHCH2NR13CR4R5CH2]([OR14])C3=CC=CC=C3)=CC=C2O1.[2*]C.[3*]C
[[1.6448,-0.386],[2.3596,0.0259],[4.5128,0.0259],[6.1564,0.0259],[6.5684,-0.6876],[7.3939,-0.6885],[7.8054,0.0259],[7.3939,0.7404],[6.5689,0.741],[8.0531,0.6437],[7.3387,0.2323],[-8.0531,0.5549],[-7.3387,0.1424],[-8.0531,-0.2701],[-6.91,1.3971],[-6.1956,0.9846],[-5.6887,0.1424],[-4.8637,0.1424],[-4.4512,-0.5721],[-3.62...
[[0,1,1],[1,2,1],[2,3,1],[3,4,2],[4,5,1],[5,6,2],[6,7,1],[7,8,2],[8,3,1],[32,31,1],[10,9,1],[34,33,1],[17,16,2],[16,29,1],[29,28,2],[28,27,1],[27,18,2],[18,17,1],[29,30,1],[18,19,1],[19,20,1],[19,21,1],[21,22,2],[22,23,1],[23,24,2],[24,25,1],[25,26,2],[26,21,1],[30,12,1],[12,11,1],[12,13,1],[16,15,1],[12,14,1],[14,15,1...
C=C(C)NCSC(C)(C)C
[O;]=C(C)NCSC(C)(C)C
[[0.7145,1.8563],[0.0,1.4437],[-0.7145,1.8563],[0.0,0.6187],[-0.7145,0.2062],[-0.7145,-0.6187],[0.0,-1.0313],[0.4125,-0.3168],[0.7145,-0.6187],[0.0,-1.8563]]
[[1,2,1],[0,1,2],[1,3,1],[3,4,1],[4,5,1],[5,6,1],[6,7,1],[6,8,1],[6,9,1]]
CC1(C)CC(N)CC(C)(CN=C=O)C1.CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1.O.O=C=O
CC1(C)CC(N)CC(C)(CN=C=O)C1.CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1.O.O=C=O
[[0.82,1.1544],[1.645,1.1544],[1.2325,1.8689],[2.3595,1.5669],[3.074,1.1544],[3.7884,1.5669],[3.074,0.3294],[2.3595,-0.0831],[1.947,-0.7975],[2.772,-0.7975],[4.2154,-1.8689],[3.3904,-1.8689],[2.5654,-1.8689],[1.645,0.3294],[-5.6179,1.1544],[-4.7929,1.1544],[-5.2054,1.8689],[-4.0784,1.5669],[-3.364,1.1544],[-1.571,0.621...
[[15,29,1],[29,23,1],[23,22,1],[22,18,1],[18,17,1],[17,15,1],[23,24,1],[23,25,1],[15,14,1],[15,16,1],[18,19,1],[19,20,2],[20,21,2],[25,26,1],[26,27,2],[27,28,2],[1,13,1],[13,7,1],[7,6,1],[6,4,1],[4,3,1],[3,1,1],[4,5,1],[1,0,1],[1,2,1],[7,8,1],[7,9,1],[9,10,1],[10,11,2],[11,12,2],[32,31,2],[32,33,2]]
C.CCC(CC1=CC=CO1)C(=O)O.CCC(CC1=CC=CO1)C(=O)OC
[THF/H2O].[CO2tBu]CC(CC1=CC=CO1)C(=O)O.[CO2tBu]CC(CC1=CC=CO1)C(=O)OC
[[1.0584,2.1045],[5.0005,-0.6961],[4.286,-1.1086],[4.286,-1.9336],[3.5715,-2.3461],[2.857,-1.9336],[2.6021,-1.149],[1.7771,-1.149],[1.5222,-1.9336],[2.1896,-2.4185],[5.0005,-2.7586],[5.0005,-1.9336],[4.286,-3.1711],[-1.5222,3.1711],[-2.2366,2.7586],[-2.2366,1.9336],[-2.9511,1.5211],[-3.6656,1.9336],[-3.9205,2.7182],[-4...
[[6,7,1],[7,8,2],[8,9,1],[9,5,1],[5,6,2],[5,4,1],[4,3,1],[3,2,1],[2,1,1],[3,10,1],[10,11,2],[10,12,1],[18,19,1],[19,20,2],[20,21,1],[21,17,1],[17,18,2],[17,16,1],[16,15,1],[15,14,1],[14,13,1],[15,22,1],[22,23,2],[22,24,1],[24,25,1]]
*C(=O)C(C)(C)CS(=O)(=O)C1=CC=C(F)C=C1
[0]C(=O)C(C)(C)CS(=O)(=O)C1=CC=C(F)C=C1
[[3.4258,0.0],[2.6008,0.0],[2.6008,0.825],[1.7758,0.0],[1.7758,0.825],[1.7758,-0.825],[0.6992,0.0],[-0.1258,0.0],[-0.1258,0.825],[-0.1258,-0.825],[-0.9508,0.0],[-1.3633,-0.7145],[-2.1883,-0.7145],[-2.6008,0.0],[-3.4258,0.0],[-2.1883,0.7145],[-1.3633,0.7145]]
[[14,13,1],[13,12,2],[12,11,1],[11,10,2],[10,16,1],[16,15,2],[15,13,1],[10,7,1],[7,8,2],[7,6,1],[7,9,2],[6,3,1],[3,4,1],[3,5,1],[3,1,1],[1,2,2],[1,0,1]]
CCCOP(C)(=O)[O-]
[NMe3]CCOP(C)(=O)[O-]
[[1.7862,-0.2062],[1.0717,-0.6187],[0.3572,-0.2062],[-0.3572,-0.6187],[-1.0717,-0.2062],[-1.7862,0.2062],[-1.0717,0.6187],[-1.7862,-0.6187]]
[[6,4,2],[4,7,1],[4,3,1],[4,5,1],[3,2,1],[2,1,1],[1,0,1]]
COC1=C(Cl)C=C(CN(CCN2CCCC2)CC2=CC=CC=C2)C=C1
[X1]OC1=C(Cl)C=C(CN(CCN2CCCC2)CC2=CC=CC=C2)C=C1
[[0.6348,3.3],[1.3492,2.8875],[1.3492,2.0625],[2.0637,1.65],[2.7782,2.0625],[2.0637,0.825],[1.3492,0.4125],[1.3492,-0.4125],[0.6348,-0.825],[-0.0797,-0.4125],[-0.7942,-0.825],[-1.5086,-0.4125],[-1.5086,0.4125],[-2.2933,0.6674],[-2.7782,0.0],[-2.2933,-0.6674],[0.6348,-1.65],[-0.0797,-2.0625],[-0.7942,-1.65],[-1.5086,-2....
[[24,23,2],[23,6,1],[6,5,2],[5,3,1],[3,2,2],[2,24,1],[2,1,1],[1,0,1],[3,4,1],[6,7,1],[7,8,1],[8,16,1],[8,9,1],[16,17,1],[9,10,1],[10,11,1],[11,12,1],[17,18,2],[18,19,1],[19,20,2],[20,21,1],[21,22,2],[22,17,1],[12,13,1],[13,14,1],[14,15,1],[15,11,1]]
B.CCCC(=O)C(CCCCCCCCC[C@@H]1C2=CC=C(OCOC)C=C2OC[C@]1(C)C1=CC=C(OCOC)C=C1)C(=O)OCC.CCCC(O)C(CCCCCCCCC[C@@H]1C2=CC=C(OCOC)C=C2OC[C@]1(C)C1=CC=C(OCOC)C=C1)C(=O)OCC.[NaH]
B.[C2F5]CCC(=O)C(CCCCCCCCC[C@@H]1C2=CC=C(OCOC)C=C2OC[C@]1(C)C1=CC=C(OCOC)C=C1)C(=O)OCC.[C2F5]CCC(O)C(CCCCCCCCC[C@@H]1C2=CC=C(OCOC)C=C2OC[C@]1(C)C1=CC=C(OCOC)C=C1)C(=O)OCC.[NaH]
[[5.0572,2.7924],[-4.4016,3.949],[-3.7879,3.5947],[-3.1742,3.949],[-2.5604,3.5947],[-2.5604,2.886],[-1.9467,3.949],[0.7702,0.3761],[0.0557,-0.0364],[-0.6587,0.3761],[-1.3732,-0.0364],[-2.0877,0.3761],[-2.8021,-0.0364],[-3.5166,0.3761],[-4.2311,-0.0364],[-4.9456,0.3761],[-0.9048,2.4708],[-1.5185,2.1164],[-2.1322,2.4708]...
[[70,65,1],[70,71,2],[71,62,1],[62,63,2],[63,64,1],[64,65,2],[71,72,1],[72,73,1],[73,74,1],[74,61,1],[61,62,1],[74,76,5],[76,77,2],[77,78,1],[78,79,2],[79,84,1],[84,85,2],[85,76,1],[51,49,1],[49,50,1],[49,48,1],[48,47,1],[47,46,1],[65,66,1],[67,68,1],[68,69,1],[67,66,1],[74,75,6],[79,80,1],[80,81,1],[81,82,1],[82,83,1]...
C.C/C=C/C(C)=O.CC(C)=O.CC(C)~C(C)N.CC1=NC(C)C(C)CC(C)C1.CC=O
[Scheme].[A3]/C=C/C([A1])=O.[A1]C(C)=O.[R14]C([R12])~C([R13])N.[A1]C1=NC([R13])C([R14])[X4]C([A3])C1.[A3]C=O
[[-1.1362,5.6573],[-4.0798,-5.6573],[-5.3803,-4.9108],[-6.6808,-5.6573],[-7.9812,-4.9108],[-9.2817,-5.6573],[-7.9812,-3.4084],[-9.7277,1.2207],[-8.4272,1.9671],[-7.1268,1.2207],[-8.4272,3.4695],[1.2347,-0.9296],[0.4836,-2.23],[1.2347,-3.5352],[-1.0188,-2.23],[-1.77,-0.9296],[-1.77,-3.5352],[4.0939,-5.1362],[5.3944,-4.3...
[[7,8,1],[8,9,1],[8,10,2],[30,29,2],[29,28,1],[5,4,1],[4,3,1],[4,6,2],[3,2,2],[2,1,1],[14,12,1],[12,11,1],[14,15,1],[14,16,1],[12,13,1],[22,20,1],[20,19,1],[19,18,2],[18,27,1],[27,25,1],[25,24,1],[22,24,1],[18,17,1],[25,26,1],[20,21,1],[22,23,1]]
CC(=O)O[C@H]1C=C[C@@H](C)C1.CC(=O)O[C@H]1C=C[C@@H](O)C1.C[C@@H]1C=C[C@H](O)C1
CC(=O)O[C@H]1C=C[C@@H]([[D3]AcO])C1.CC(=O)O[C@H]1C=C[C@@H](O)C1.[[D3]AcO][C@@H]1C=C[C@H](O)C1
[[-4.1519,1.4734],[-3.4374,1.8859],[-3.4374,2.7109],[-2.7229,1.4734],[-2.7229,1.4734],[-2.9779,0.6888],[-3.8029,0.6888],[-4.0578,1.4734],[-4.7723,1.8859],[-3.3904,1.9583],[1.3341,1.4734],[2.0485,1.8859],[2.0485,2.7109],[2.763,1.4734],[2.763,1.4734],[2.5081,0.6888],[1.6831,0.6888],[1.4281,1.4734],[0.7136,1.8859],[2.0956...
[[22,23,2],[23,24,1],[24,26,1],[26,21,1],[21,22,1],[24,25,5],[21,20,5],[16,15,2],[15,14,1],[14,19,1],[19,17,1],[17,16,1],[17,18,5],[14,13,5],[13,11,1],[12,11,2],[11,10,1],[6,5,2],[5,4,1],[4,9,1],[9,7,1],[7,6,1],[7,8,5],[4,3,5],[3,1,1],[2,1,2],[1,0,1]]
CC(C)(NC(=O)C1=CC=CC=C1)C(=O)N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)NCCCN.Cl
CC(C)(NC(=O)C1=CC=CC=C1)C(=O)N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)NCCCN.Cl
[[-0.3645,0.6188],[-1.079,0.2062],[-1.079,1.0313],[-1.7934,0.6187],[-2.5079,0.2062],[-2.5079,-0.6187],[-3.2224,0.6187],[-3.9369,0.2062],[-4.6513,0.6187],[-4.6513,1.4437],[-3.9369,1.8563],[-3.2224,1.4437],[-1.079,-0.6187],[-1.7934,-1.0313],[-0.3645,-1.0313],[0.35,-0.6187],[0.35,0.1547],[1.0644,0.5672],[1.0644,1.3922],[1...
[[12,13,2],[14,12,1],[15,14,1],[27,15,1],[29,27,1],[30,29,1],[31,30,1],[32,31,1],[33,32,1],[12,1,1],[27,28,2],[15,16,6],[16,17,1],[17,26,1],[26,25,2],[25,20,1],[20,19,2],[19,18,1],[18,17,2],[25,24,1],[24,23,2],[23,22,1],[22,21,2],[21,20,1],[1,3,1],[1,0,1],[1,2,1],[3,4,1],[4,5,2],[4,6,1],[6,11,1],[11,10,2],[10,9,1],[9,8...
CC(C)C(C)C1=CC=CC=C1.CC(C)CC1=CC=CC=C1.CC(C)CC1CCCCC1
CC(C)C(C)C1=CC=CC=C1.CC(C)CC1=CC=CC=C1.CC(C)CC1CCCCC1
[[-1.6179,3.0019],[-2.4429,3.0019],[-3.2679,3.0019],[-2.4429,2.1769],[-3.1574,1.7644],[-1.7285,1.7644],[-1.7285,0.9394],[-1.014,0.5269],[-0.2995,0.9394],[-0.2995,1.7644],[-1.014,2.1769],[1.9495,3.0019],[1.1245,3.0019],[0.2995,3.0019],[1.1245,2.1769],[1.839,1.7644],[1.839,0.9394],[2.5535,0.5269],[3.2679,0.9394],[3.2679,...
[[25,26,1],[26,27,1],[27,28,1],[28,29,1],[29,30,1],[30,25,1],[25,24,1],[24,22,1],[22,21,1],[22,23,1],[5,6,2],[6,7,1],[7,8,2],[8,9,1],[9,10,2],[10,5,1],[5,3,1],[3,4,1],[3,1,1],[1,0,1],[1,2,1],[15,16,2],[16,17,1],[17,18,2],[18,19,1],[19,20,2],[20,15,1],[15,14,1],[14,12,1],[12,11,1],[12,13,1]]
COC(=O)CC1(N)CCCCC1.COC(=O)CC1(NC(=O)OC(C)(C)C)CCCCC1.O=S(=O)(O)O
COC(=O)CC1(N)CCCCC1.COC(=O)CC1(NC(=O)OC(C)(C)C)CCCCC1.O=S(=O)(O)O
[[0.7682,3.1228],[0.0538,3.5353],[-0.6607,3.1228],[-0.6607,2.2978],[-1.3752,3.5353],[-2.0896,3.1228],[-2.8041,3.5353],[-2.8041,2.7103],[-2.8041,1.8853],[-2.0896,1.4728],[-1.3752,1.8853],[-1.3752,2.7103],[5.4659,-1.8853],[4.7514,-1.4728],[4.0369,-1.8853],[4.0369,-2.7103],[3.3225,-1.4728],[2.608,-1.8853],[1.8935,-1.4728]...
[[31,32,2],[32,33,2],[32,34,1],[32,35,1],[6,5,1],[5,4,1],[4,2,1],[2,1,1],[2,3,2],[1,0,1],[5,7,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[11,5,1],[18,17,1],[17,16,1],[16,14,1],[14,13,1],[14,15,2],[13,12,1],[17,26,1],[26,27,1],[27,28,1],[28,29,1],[29,30,1],[30,17,1],[18,19,1],[19,21,1],[19,20,2],[21,22,1],[22,23,1],[22,24,1]...
CC[C@H](C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](NCC1=CC=CC=C1)C(=O)O.[H]C(=O)C1=CC=CC=C1
CC[C@H](C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](NCC1=CC=CC=C1)C(=O)O.[H]C(=O)C1=CC=CC=C1
[[-3.6518,4.3161],[-3.6518,3.4911],[-4.3662,3.0786],[-5.0807,3.4911],[-4.3662,2.2536],[-5.0807,1.8411],[-3.6518,1.8411],[-3.6518,1.0161],[-2.9373,2.2536],[4.3662,-0.6036],[4.3662,-1.4286],[3.6518,-1.8411],[2.9373,-1.4286],[3.6518,-2.6661],[2.9373,-3.0786],[2.2228,-2.6661],[1.5084,-3.0786],[0.7939,-2.6661],[0.0794,-3.07...
[[18,19,2],[19,20,1],[20,21,2],[21,16,1],[16,17,2],[17,18,1],[16,15,1],[15,14,1],[13,14,5],[13,22,1],[22,24,1],[22,23,2],[13,11,1],[11,12,5],[11,10,1],[10,9,1],[4,5,5],[4,6,1],[4,2,1],[2,3,5],[2,1,1],[1,0,1],[6,8,1],[6,7,2],[30,31,2],[31,32,1],[32,33,2],[33,28,1],[28,29,2],[29,30,1],[28,26,1],[26,25,1],[26,27,2]]
*[C@@H](CC=C)OC(=O)C12[Co]C1(*[K]CCC[2H]C=C)[Co]2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
*[C@@H](CC=C)OC(=O)C12[Co]C1(*[K][J][G][E][2H]C=C)[Co]2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
[[0.8109,1.8563],[0.8109,1.0313],[1.5254,0.6187],[1.9379,-0.0957],[2.6524,0.3168],[0.0965,0.6187],[-0.618,1.0313],[-0.618,1.8563],[-1.3325,0.6187],[-1.0083,0.0354],[-1.3325,-0.2062],[-0.618,-0.6187],[-0.618,-1.4437],[0.0965,-1.8563],[0.8109,-1.4437],[1.5254,-1.8563],[2.2399,-1.4437],[2.2399,-0.6187],[2.9544,-0.2062],[-...
[[6,8,1],[6,5,1],[5,1,1],[1,2,1],[6,7,2],[1,0,5],[8,10,1],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[14,15,1],[15,16,1],[16,17,1],[17,18,2],[2,3,1],[3,4,2],[10,9,1],[8,9,1],[20,21,3],[22,23,3],[24,25,3],[8,19,1],[10,19,1],[26,27,3],[28,29,3],[30,31,3]]
C1=CC=C(C2=CC=C(CCC3=CC(CCC4=CC=C(C5=NC=CC=C5)C=C4)=CC(CCC4=CC=C(C5=NC=CC=C5)C=C4)=C3)C=C2)N=C1
C1=CC=C(C2=CC=C(CCC3=CC(CCC4=CC=C(C5=NC=CC=C5)C=C4)=CC(CCC4=CC=C(C5=NC=CC=C5)C=C4)=C3)C=C2)N=C1
[[0.2784,-3.6833],[1.0753,-3.8968],[1.6587,-3.3134],[1.4452,-2.5165],[2.0285,-1.9332],[2.8254,-2.1467],[3.4088,-1.5633],[3.1952,-0.7665],[3.7786,-0.1831],[3.7786,1.0093],[3.0641,1.4218],[2.3497,1.0093],[1.6352,1.4218],[0.9207,1.0093],[0.5082,0.2948],[-0.2062,-0.1177],[-0.2062,-0.9427],[-0.9207,-1.3552],[-1.6352,-0.9427...
[[23,22,1],[22,21,2],[21,20,1],[20,19,2],[19,24,1],[24,23,2],[19,18,1],[18,17,2],[17,16,1],[16,15,2],[15,26,1],[26,25,2],[25,18,1],[15,14,1],[14,13,1],[13,12,1],[12,11,1],[11,10,2],[10,43,1],[43,28,2],[28,27,1],[27,12,2],[10,9,1],[9,8,1],[8,7,1],[47,0,1],[0,1,2],[1,2,1],[2,3,2],[3,46,1],[46,47,2],[3,4,1],[4,5,2],[5,6,1...
CNC(=O)C1=CC=CS1
CNC(=O)C1=CC=CS1
[[-3.0986,0.6056],[-1.7981,-0.1455],[-0.4977,0.6056],[-0.4977,2.108],[0.8028,-0.1455],[0.8028,-1.6479],[2.23,-2.108],[3.1033,-0.892],[2.23,0.3146]]
[[0,1,1],[1,2,1],[2,4,1],[2,3,2],[4,5,2],[5,6,1],[6,7,2],[7,8,1],[4,8,1]]
CC1=C(C)C(C2=C(O)C(C)=C(C3=NC=CC=C3)OC2=O)=C(Cl)C=C1.CC1=C(C)C(C2=C(OP(C)(=S)OCC(F)(F)F)C(C)=C(C3=NC=CC=C3)OC2=O)=C(Cl)C=C1.CP(C)(=S)OCC(F)(F)F
CC1=C(C)C(C2=C(O)C(C)=C(C3=NC=CC=C3)OC2=O)=C(Cl)C=C1.CC1=C(C)C(C2=C(OP(C)(=S)OCC(F)(F)F)C(C)=C(C3=NC=CC=C3)OC2=O)=C(Cl)C=C1.[+]P(C)(=S)OCC(F)(F)F
[[2.2864,7.0892],[1.5352,5.7887],[0.0329,5.7887],[0.0329,7.2911],[-0.7183,4.4883],[-1.9859,4.4883],[-2.7371,5.7887],[-1.9859,7.0892],[-4.2394,5.7887],[-4.2394,7.2911],[-4.9906,4.4883],[-6.2582,4.4883],[-7.0094,3.1878],[-8.5117,3.1878],[-9.2629,4.4883],[-8.5117,5.7887],[-7.0094,5.7887],[-4.2394,3.1831],[-2.7371,3.1831],...
[[13,12,1],[12,11,2],[11,16,1],[16,15,2],[15,14,1],[13,14,2],[11,10,1],[10,17,1],[17,18,1],[18,5,1],[5,6,2],[6,8,1],[10,8,2],[18,19,2],[8,9,1],[6,7,1],[5,4,1],[4,20,2],[20,22,1],[22,23,2],[23,1,1],[1,2,2],[4,2,1],[20,21,1],[2,3,1],[1,0,1],[58,57,1],[58,60,2],[58,59,1],[58,61,1],[61,62,1],[62,63,1],[63,64,1],[63,65,1],[...
[5*][Si]([6*])(C)C.[5*][Si]([6*])(C)OC
[5*][Si]([6*])([Z])C.[5*][Si]([6*])([Z])OC
[[1.8957,0.825],[2.0488,0.0],[1.8957,-0.825],[1.0707,0.0],[2.8738,0.0],[-2.0488,0.825],[-1.8957,0.0],[-2.0488,-0.825],[-2.8738,0.0],[-1.0707,0.0],[-0.2457,0.0]]
[[1,3,1],[1,0,1],[1,2,1],[1,4,1],[6,9,1],[9,10,1],[6,8,1],[6,5,1],[6,7,1]]
C*P(=O)([Y]C)[Y]C.C[Y]P(=O)(CC1=C2N=C(C)CC2=C(C)C(C)=C1C)[Y]C
[R5]*P(=O)([Y][R1])[Y][R1].[R1][Y]P(=O)([X2]C1=C2N=C([A2])[G]C2=C([L2])C([E2])=C1[J2])[Y][R1]
[[-5.0141,4.2629],[-3.5117,4.2629],[-2.0094,4.2629],[-2.0094,2.7606],[-2.0094,5.7653],[-0.7089,6.5164],[-0.507,4.2629],[0.2441,2.9624],[4.1127,-1.662],[2.8122,-2.4131],[2.8122,-3.9155],[2.8122,-5.4178],[0.9484,-3.9155],[-0.554,-3.9155],[-1.3052,-2.615],[-0.8451,-1.1878],[-2.0657,-0.3099],[-2.0657,1.1925],[-3.2817,-1.18...
[[0,1,1],[1,2,1],[2,4,1],[2,3,2],[2,6,1],[4,5,1],[6,7,1],[22,24,2],[24,13,1],[13,14,2],[14,19,1],[19,20,2],[22,20,1],[14,15,1],[15,16,2],[16,18,1],[19,18,1],[16,17,1],[20,21,1],[13,12,1],[12,10,1],[10,11,2],[10,9,1],[10,26,1],[22,23,1],[24,25,1],[9,8,1],[26,27,1]]
CN1CCC1.CN1CCCCC1
CN1CC[(CH2)p]1.CN1CC[X]CC1
[[-3.2194,-0.0],[-2.3944,-0.0],[-1.8111,-0.5834],[-1.2277,-0.0],[-1.8111,0.5834],[0.7444,-0.0],[1.5694,-0.0],[1.9819,-0.7145],[2.8069,-0.7145],[3.2194,-0.0],[2.8069,0.7145],[1.9819,0.7145]]
[[0,1,1],[1,2,1],[2,3,1],[3,4,1],[4,1,1],[5,6,1],[6,7,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[11,6,1]]
[1*][Y]C1=NC2=C(C=C(C([10*])(O)C3=C([6*])N=C([24*])N3C)C=C2)C(C2=CC=CC=C2)=C1[2*].[1*][Y]C1=NC2=C(C=C(C([10*])=O)C=C2)C(C2=CC=CC=C2)=C1[2*].[3*]C.[3*]C.[4*]C.[4*]C.[5*]C.[5*]C.[6*]C.[6*]C.[6*]C1=CN(C)C([24*])=N1.[7*]C.[7*]C
[1*][Y]C1=NC2=C(C=C(C([10*])(O)C3=C([6*])N=C([24*])N3C)C=C2)C(C2=CC=CC=C2)=C1[2*].[1*][Y]C1=NC2=C(C=C(C([10*])=O)C=C2)C(C2=CC=CC=C2)=C1[2*].[3*]C.[3*]C.[4*]C.[4*]C.[5*]C.[5*]C.[6*]C.[6*]C.[6*]C1=CN(C)C([24*])=N1.[7*]C.[7*]C
[[-1.4147,-5.3941],[-0.5897,-5.3941],[0.1248,-4.9816],[0.8392,-5.3941],[1.5537,-4.9816],[1.5537,-4.1566],[2.2682,-3.7441],[2.9826,-4.1566],[3.6971,-3.7441],[4.4116,-4.1566],[3.2846,-3.0297],[4.1096,-3.0297],[4.9346,-3.0297],[5.3471,-3.7441],[5.1896,-2.2451],[4.5221,-1.7601],[4.5221,-0.9351],[3.8547,-2.2451],[3.1402,-1....
[[26,27,2],[27,22,1],[22,23,2],[23,24,1],[24,25,2],[25,26,1],[22,21,1],[21,28,2],[28,2,1],[2,3,2],[3,4,1],[4,5,2],[5,21,1],[4,20,1],[20,19,2],[19,7,1],[7,6,2],[6,5,1],[28,29,1],[2,1,1],[8,7,1],[9,8,1],[1,0,1],[11,12,2],[12,14,1],[14,15,2],[15,17,1],[17,11,1],[17,18,1],[15,16,1],[12,13,1],[8,10,1],[8,11,1],[53,52,1],[57...
*BC(=N)N.C
*BC(=N)N.[(CH2)n]
[[-1.4273,-0.0],[-0.6023,-0.0],[0.2227,-0.0],[0.6352,-0.7145],[0.6352,0.7145],[1.4273,-0.0]]
[[0,1,1],[1,2,1],[2,4,1],[2,3,2]]
[C-]#[N+]C1(C2=CC([O-]C3CCCC3)=C(C)C=C2)CCC(C(=O)O)C(CC2=CC=CC=C2)C1
[C-]#[N+]C1(C2=CC([O-]C3CCCC3)=C([O-methyl])C=C2)CCC(C(=O)O)C(CC2=CC=CC=C2)C1
[[-2.1987,-0.8452],[-1.3737,-0.8452],[-0.6592,-0.4327],[0.0553,-0.8452],[0.7697,-0.4327],[1.4842,-0.8452],[1.4826,-0.8452],[0.7681,-0.4327],[0.6818,0.3878],[-0.1251,0.5593],[-0.5376,-0.1552],[0.0144,-0.7683],[1.4842,-1.6702],[2.1987,-2.0827],[0.7697,-2.0827],[0.0553,-1.6702],[0.0553,-0.0202],[0.0553,0.8048],[-0.6592,1....
[[3,2,1],[2,16,1],[16,17,1],[17,18,1],[18,22,1],[22,30,1],[30,2,1],[3,15,1],[15,14,2],[14,12,1],[12,5,2],[5,4,1],[4,3,2],[12,13,1],[18,19,1],[19,20,2],[19,21,1],[5,6,1],[6,7,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[7,11,1],[2,1,1],[1,0,3],[22,23,1],[26,27,2],[27,28,1],[28,29,2],[29,24,1],[24,25,2],[26,25,1],[24,23,1]]
O=C(NC1C2=CC(/N=C/N3CCCC3)=CC=C2C[C@@H]1O)C1=CC=C(F)C(Br)=C1
O=C(NC1C2=CC(/N=C/N3CCCC3)=CC=C2C[C@@H]1O)C1=CC=C(F)C(Br)=C1
[[1.5023,0.8779],[2.9343,0.4883],[3.338,-0.9577],[2.2629,-2.0235],[0.8357,-2.4883],[-0.4648,-1.7371],[-1.7606,-2.4883],[-3.061,-1.7371],[-4.3615,-2.4883],[-5.662,-1.7371],[-6.5352,-0.5352],[-7.9624,-0.9953],[-7.9624,-2.4883],[-6.5352,-2.9577],[-1.7606,-3.9859],[-0.4648,-4.7371],[0.8357,-3.9859],[2.2629,-4.4601],[3.1315...
[[20,21,2],[21,22,1],[22,23,2],[23,25,1],[25,27,2],[20,27,1],[20,1,1],[1,2,1],[1,0,2],[23,24,1],[16,15,2],[15,14,1],[14,6,2],[6,5,1],[5,4,2],[16,4,1],[4,3,1],[3,18,1],[18,17,1],[16,17,1],[18,19,5],[2,3,6],[25,26,1],[6,7,1],[7,8,2],[11,12,1],[12,13,1],[13,9,1],[9,10,1],[11,10,1],[8,9,1]]
I.[*+].[H][Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.[OH-]
I.[*+].[H][Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.[OH-]
[[8.1831,0.446],[-8.1408,-72.1127],[-2.1972,1.9484],[-2.1972,0.446],[-2.1972,-1.0563],[-3.6995,0.446],[-5.507,0.446],[-7.8075,0.446],[-5.507,1.9484],[-5.507,-1.0563],[-0.3897,0.446],[1.1127,0.446],[1.1127,-1.0563],[1.1127,1.9484],[2.9202,0.446],[-8.1831,72.1127]]
[[7,6,1],[6,5,1],[6,8,1],[6,9,1],[5,3,1],[3,10,1],[10,11,1],[3,2,1],[3,4,1],[11,12,1],[11,13,1],[11,14,1]]
O=C1C=CC(=O)N1CCCOCC(COCCCN1C(=O)C=CC1=O)(COCCCN1C(=O)C=CC1=O)COCCCN1C(=O)C=CC1=O
O=C1C=CC(=O)N1CCCOCC(COCCCN1C(=O)C=CC1=O)(COCCCN1C(=O)C=CC1=O)COCCCN1C(=O)C=CC1=O
[[3.7849,3.5253],[4.1974,2.8109],[4.982,2.5559],[4.982,1.7309],[4.1974,1.476],[3.7849,0.7615],[3.7125,2.1434],[2.8875,2.1434],[2.475,1.4289],[1.65,1.4289],[1.2375,0.7145],[0.4125,0.7145],[0.0,0.0],[0.4125,-0.7145],[1.2375,-0.7145],[1.65,-1.4289],[2.475,-1.4289],[2.8875,-2.1434],[3.7125,-2.1434],[4.1974,-1.476],[3.7849,...
[[12,13,1],[12,25,5],[12,11,1],[12,37,6],[38,37,1],[39,38,1],[40,39,1],[41,40,1],[42,41,1],[10,11,1],[9,10,1],[8,9,1],[7,8,1],[6,7,1],[14,13,1],[15,14,1],[16,15,1],[17,16,1],[18,17,1],[26,25,1],[27,26,1],[28,27,1],[29,28,1],[30,29,1],[42,47,1],[47,46,1],[46,45,2],[45,43,1],[43,42,1],[30,35,1],[35,34,1],[34,33,2],[33,31...
*[N+]1=NN(N)C=C1.[Y-]
*[N+]1=NN(N)C=C1.[Y-]
[[-1.3932,-1.1866],[-0.6788,-0.7741],[-0.6788,0.0509],[0.0357,0.4634],[0.0357,1.2884],[0.7502,0.0509],[0.7502,-0.7741],[1.3932,-1.2884]]
[[2,1,2],[6,5,2],[5,3,1],[3,2,1],[1,6,1],[1,0,1],[3,4,1]]
CC(C)NCCN1CCC2=CC(OCC3=C(C4=CC=CC=C4)C=CC=C3)=CC=C2C1=O
[Ph]C([Me])NCCN1CCC2=CC(OCC3=C(C4=CC=CC=C4)C=CC=C3)=CC=C2C1=O
[[5.0013,0.825],[4.2868,0.4125],[4.2868,-0.4125],[3.5724,0.825],[2.8579,0.4125],[2.1434,0.825],[1.4289,0.4125],[1.4289,-0.4125],[0.7145,-0.825],[0.0,-0.4125],[-0.7145,-0.825],[-1.4289,-0.4125],[-2.1434,-0.825],[-2.8579,-0.4125],[-3.5724,-0.825],[-4.2868,-0.4125],[-4.2868,0.4125],[-3.5724,0.825],[-3.5724,1.65],[-4.2868,...
[[20,21,2],[21,16,1],[16,17,2],[17,18,1],[18,19,2],[19,20,1],[16,15,1],[15,14,2],[14,25,1],[25,24,2],[24,23,1],[23,22,2],[22,15,1],[14,13,1],[13,12,1],[12,11,1],[11,26,2],[26,27,1],[27,28,2],[28,9,1],[9,10,2],[10,11,1],[28,29,1],[29,6,1],[6,5,1],[6,7,1],[9,8,1],[7,8,1],[29,30,2],[5,4,1],[4,3,1],[3,1,1],[1,0,1],[1,2,6]]
COCCN.COCCNC(=O)C1=CC=C(O)C=C1.COCCNC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1.O=C(O)C1=CC=C(OCC2=CC=CC=C2)C=C1.O=C(ON1C(=O)CCC1=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
COCCN.COCCNC(=O)C1=CC=C(O)C=C1.COCCNC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1.O=C(O)C1=CC=C(OCC2=CC=CC=C2)C=C1.O=C(ON1C(=O)CCC1=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
[[7.0089,0.5993],[6.2945,1.0118],[5.58,0.5993],[4.8655,1.0118],[4.1511,0.5993],[-2.1578,-3.3549],[-2.8723,-2.9424],[-3.5868,-3.3549],[-4.3012,-2.9424],[-5.0157,-3.3549],[-5.7302,-2.9424],[-5.7302,-2.1174],[-6.4446,-3.3549],[-7.1591,-2.9424],[-7.8736,-3.3549],[-7.8736,-4.1799],[-8.588,-4.5924],[-7.1591,-4.5924],[-6.4446...
[[28,29,2],[29,38,1],[38,39,2],[39,26,1],[26,27,2],[27,28,1],[26,24,1],[24,23,1],[23,22,1],[22,21,1],[24,25,2],[21,20,1],[20,19,1],[29,30,1],[32,33,2],[33,34,1],[34,35,2],[35,36,1],[36,37,2],[32,37,1],[32,31,1],[31,30,1],[14,15,2],[15,17,1],[17,18,2],[18,12,1],[12,13,2],[13,14,1],[15,16,1],[12,10,1],[10,9,1],[10,11,2],...
COC(=O)C1=CC=C2N=C3C=CC=CC3=C(NCCC(=O)OCCN(CCCl)CCCl)C2=C1
COC(=O)C1=CC=C2N=C3C=CC=CC3=C(NCCC(=O)OCCN(CCCl)CCCl)C2=C1
[[-4.6441,-1.4437],[-3.9296,-1.8563],[-3.2151,-1.4437],[-3.2151,-0.6187],[-2.5006,-1.8563],[-2.5006,-2.6812],[-1.7862,-3.0938],[-1.0717,-2.6812],[-0.3572,-3.0938],[0.3572,-2.6812],[1.0717,-3.0938],[1.7862,-2.6812],[1.7862,-1.8563],[1.0717,-1.4437],[0.3572,-1.8563],[-0.3572,-1.4437],[-0.3572,-0.6187],[-1.0717,-0.2062],[...
[[4,5,2],[5,6,1],[6,7,2],[7,31,1],[31,32,2],[32,4,1],[7,8,1],[8,9,2],[9,14,1],[14,15,2],[15,31,1],[9,10,1],[10,11,2],[11,12,1],[12,13,2],[13,14,1],[2,4,1],[1,2,1],[0,1,1],[2,3,2],[15,16,1],[21,19,1],[19,18,1],[18,17,1],[17,16,1],[22,21,1],[23,22,1],[24,23,1],[25,24,1],[19,20,2],[26,25,1],[27,26,1],[24,28,1],[29,28,1],[...
CC(=O)N[C@@H]1CCCC2=CN=CC=C21
CC(=O)N[C@@H]1CCCC2=CN=CC=C21
[[1.7862,-0.6187],[1.0717,-1.0313],[1.0717,-1.8563],[0.3572,-0.6187],[0.3572,0.2062],[1.0717,0.6187],[1.0717,1.4437],[0.3572,1.8563],[-0.3572,1.4437],[-1.0717,1.8563],[-1.7862,1.4437],[-1.7862,0.6187],[-1.0717,0.2062],[-0.3572,0.6187]]
[[10,11,2],[11,12,1],[12,13,2],[13,8,1],[8,9,2],[9,10,1],[13,4,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[4,3,5],[3,1,1],[1,0,1],[1,2,2]]
*CC1([8*])C([9*])OC(OC(=C)C2=CC=CC=C2)C1C1=CC=CC=C1.[1*]C.[2*]C.[3*]C.[4*]C.[5*]C
*[(CH2)n]C1([8*])C([9*])OC(OC(=C)C2=CC=CC=C2)C1C1=CC=CC=C1.[1*]C.[2*]C.[3*]C.[4*]C.[5*]C
[[-2.9103,-1.9994],[-1.2088,-2.0003],[-1.2548,-1.285],[-0.8423,-1.9994],[-1.7397,-0.6175],[-2.5647,-0.6175],[-1.2548,0.0499],[-0.4701,-0.205],[0.2443,0.2075],[0.2443,1.0325],[-0.4701,1.445],[0.9588,1.445],[1.6733,1.0325],[2.3875,1.4434],[2.3877,2.27],[1.6736,2.683],[0.9588,2.27],[-0.4701,-1.03],[0.2443,-1.4425],[0.9588...
[[31,30,1],[33,32,1],[17,7,1],[7,6,1],[6,4,1],[4,2,1],[2,17,1],[4,5,1],[2,1,1],[2,3,1],[17,18,1],[18,23,1],[23,22,2],[22,21,1],[21,20,2],[20,19,1],[19,18,2],[7,8,1],[8,9,1],[9,10,2],[9,11,1],[11,12,2],[12,13,1],[13,14,2],[14,15,1],[15,16,2],[16,11,1],[1,0,1],[25,24,1],[27,26,1],[29,28,1]]
O=C(NC1=CC=C(COC2=CC=CC3=C2C=CC=N3)C=C1)[C@H]1CC(=O)N([RaH])C[C@@H]1C(=O)NO
O=C(NC1=CC=C(COC2=CC=CC3=C2C=CC=N3)C=C1)[C@H]1CC(=O)N([RaH])C[C@@H]1C(=O)NO
[[2.1434,0.7212],[2.1434,-0.1038],[1.4289,-0.5163],[0.7145,-0.1038],[0.7145,0.7212],[-0.0,1.1337],[-0.7145,0.7212],[-1.4289,1.1337],[-2.1434,0.7212],[-2.8579,1.1337],[-2.8579,1.9587],[-3.5724,2.3712],[-4.2868,1.9587],[-4.2868,1.1337],[-3.5724,0.7212],[-3.5724,-0.1038],[-4.2868,-0.5163],[-5.0013,-0.1038],[-5.0013,0.7212...
[[21,28,1],[21,1,5],[1,2,1],[1,0,2],[28,27,1],[27,25,1],[25,23,1],[23,22,1],[22,21,1],[2,3,1],[3,4,2],[4,5,1],[5,6,2],[6,19,1],[19,20,2],[20,3,1],[6,7,1],[7,8,1],[23,24,2],[25,26,1],[8,9,1],[9,10,2],[10,11,1],[11,12,2],[12,13,1],[13,14,2],[14,9,1],[13,18,1],[18,17,2],[17,16,1],[16,15,2],[15,14,1],[28,29,6],[29,30,2],[2...
CC1=CSC(=S)N1CC(=O)[O-].[K+]
CC1=CSC(=S)N1CC(=O)[O-].[K+]
[[-1.1289,-0.2775],[-0.7164,0.4369],[-0.9713,1.2216],[-0.3039,1.7065],[0.3636,1.2216],[1.078,1.6341],[0.1086,0.4369],[0.5211,-0.2775],[0.1086,-0.992],[-0.7164,-0.992],[0.5211,-1.7065],[1.1289,-1.7065]]
[[1,6,1],[6,4,1],[4,3,1],[3,2,1],[2,1,2],[6,7,1],[7,8,1],[8,10,1],[8,9,2],[4,5,2],[1,0,1]]
[1*][Si]([1*])([1*])O[Si]([1*])([1*])O[Si]([1*])([2*])O[Si]([1*])([1*])[1*].[1*][Si]([1*])([2*])O[Si]([1*])([1*])O[Si]([1*])([2*])O[Si]([1*])([1*])[2*].[1*][Si]1([1*])CCCCO[Si]([1*])([2*])O1
[1*][Si]([1*])([1*])O[Si]([1*])([1*])O[Si]([1*])([2*])O[Si]([1*])([1*])[1*].[1*][Si]([1*])([2*])O[Si]([1*])([1*])O[Si]([1*])([2*])O[Si]([1*])([1*])[2*].[1*][Si]1([1*])CCCCO[Si]([1*])([2*])O1
[[-3.7535,3.5423],[-2.9285,3.5423],[-2.9285,4.3673],[-2.9285,2.7173],[-1.9534,3.5423],[-1.1284,3.5423],[-1.1284,4.3673],[-1.1284,2.7173],[-0.308,3.5423],[0.9811,3.5423],[0.9811,4.3673],[0.9811,2.7173],[1.8015,3.5423],[2.7812,3.5423],[3.7563,3.5423],[2.7812,4.3673],[2.7812,2.7173],[-2.9313,1.1653],[-2.9313,0.3403],[-2.9...
[[0,1,1],[1,4,1],[1,2,1],[1,3,1],[4,5,1],[5,6,1],[5,7,1],[5,8,1],[8,9,1],[9,12,1],[12,13,1],[13,14,1],[9,10,1],[9,11,1],[13,15,1],[13,16,1],[20,18,1],[18,21,1],[18,17,1],[18,19,1],[21,22,1],[22,23,1],[22,24,1],[22,25,1],[25,26,1],[26,29,1],[29,30,1],[30,33,1],[26,27,1],[26,28,1],[30,31,1],[30,32,1],[37,35,1],[35,34,1],...
CCCCCOC(=O)NCC
CCCCCOC(=O)NCC
[[2.5297,0.5877],[2.5297,-0.2373],[1.8152,0.1752],[1.1008,-0.2373],[1.1008,0.5877],[-2.5297,1.0627],[-1.8176,0.6515],[0.0257,1.4127],[-1.8176,-0.1756],[-1.1039,-0.5877],[-1.1039,-1.4127]]
[[4,3,1],[3,2,1],[2,1,1],[1,0,1],[4,5,1],[7,6,2],[10,9,1],[9,8,1],[8,6,1],[6,5,1]]
O=C1C2=CC(C3=CC=C(Cl)C=C3)=CN2CCN1C1=CC2=C(C=C1)N(CCN1CCCC1)N=C2.O=CC(F)(F)F.O=CC(F)(F)F
O=C1C2=CC(C3=CC=C(Cl)C=C3)=CN2CCN1C1=CC2=C(C=C1)N(CCN1CCCC1)N=C2.O=CC(F)(F)F.O=CC(F)(F)F
[[-0.2382,-2.8258],[-0.2382,-3.5782],[-0.8898,-3.9544],[-1.6054,-3.7219],[-2.0476,-4.3306],[-2.8,-4.3306],[-3.1762,-3.679],[-3.9286,-3.679],[-4.3048,-4.3306],[-5.0572,-4.3306],[-3.9286,-4.9822],[-3.1762,-4.9822],[-1.6054,-4.9393],[-0.8898,-4.7068],[-0.2382,-5.083],[0.4134,-4.7068],[0.4134,-3.9544],[1.065,-3.5782],[1.71...
[[10,11,2],[11,5,1],[5,6,2],[6,7,1],[7,8,2],[8,10,1],[8,9,1],[5,4,1],[4,12,2],[12,13,1],[13,2,1],[2,3,2],[3,4,1],[13,14,1],[14,15,1],[15,16,1],[16,1,1],[1,2,1],[1,0,2],[16,17,1],[17,18,2],[18,19,1],[19,20,2],[20,21,1],[21,22,2],[22,17,1],[19,32,1],[32,31,2],[31,23,1],[23,20,1],[23,24,1],[24,25,1],[25,26,1],[30,26,1],[2...
[2H]C1=NC(C[S@](=O)C2=NC3=C(C=CC(OC([2H])([2H])[2H])=C3)N2)=C(C([2H])([2H])[2H])C(OC([2H])([2H])[2H])=C1C([2H])([2H])[2H].[2H]C1=NC(C[S@](=O)C2=NC3=C(C=CC(OC([2H])([2H])[2H])=C3)[N-]2)=C(C([2H])([2H])[2H])C(OC([2H])([2H])[2H])=C1C([2H])([2H])[2H].[Mg+2]
[2H]C1=NC(C[S@](=O)C2=NC3=C(C=CC(OC([2H])([2H])[2H])=C3)N2)=C(C([2H])([2H])[2H])C(OC([2H])([2H])[2H])=C1C([2H])([2H])[2H].[2H]C1=NC(C[S@](=O)C2=NC3=C(C=CC(OC([2H])([2H])[2H])=C3)[N-]2)=C(C([2H])([2H])[2H])C(OC([2H])([2H])[2H])=C1C([2H])([2H])[2H].[Mg+2]
[[2.4817,3.5552],[2.0692,2.8407],[1.2442,2.8407],[0.8317,2.1262],[0.0067,2.1262],[-0.4058,2.8407],[0.0067,3.5552],[-1.2308,2.8407],[-1.7158,3.5081],[-2.5004,3.2532],[-2.5004,2.4282],[-3.2149,2.0157],[-3.9293,2.4282],[-3.9293,3.2532],[-4.8224,4.8001],[-4.1079,4.3876],[-3.3935,3.9751],[-4.5204,3.6731],[-3.6954,5.1021],[-...
[[13,12,1],[12,11,2],[11,10,1],[10,9,2],[9,19,1],[19,13,2],[10,20,1],[20,7,1],[7,8,2],[8,9,1],[7,5,1],[5,4,5],[4,3,1],[3,21,2],[21,26,1],[26,32,2],[32,1,1],[1,2,2],[2,3,1],[5,6,2],[1,0,1],[13,14,1],[16,15,1],[17,15,1],[18,15,1],[15,14,1],[32,33,1],[33,34,1],[33,35,1],[33,36,1],[26,27,1],[27,28,1],[28,29,1],[28,30,1],[2...
CC1=CC=C2CC(CC(C)(C)C)NC(=O)C2=C1
[HexO]C1=CC=C2CC(CC(C)(C)C)NC(=O)C2=C1
[[-2.8579,0.4125],[-2.1434,0.0],[-2.1434,-0.825],[-1.4289,-1.2375],[-0.7145,-0.825],[0.0,-1.2375],[0.7145,-0.825],[1.4289,-1.2375],[2.1434,-0.825],[2.8579,-1.2375],[2.1434,0.0],[2.8579,-0.4125],[0.7145,0.0],[0.0,0.4125],[0.0,1.2375],[-0.7145,0.0],[-1.4289,0.4125]]
[[1,2,2],[2,3,1],[3,4,2],[4,15,1],[15,16,2],[16,1,1],[1,0,1],[4,5,1],[5,6,1],[6,12,1],[12,13,1],[13,15,1],[13,14,2],[6,7,1],[7,8,1],[8,9,1],[8,10,1],[8,11,1]]
NC1=CC=C(N=NC2=CC=CC3=C2C=CC(S(=O)(=O)O)=C3)C(N)=C1
NC1=CC=C(N=NC2=CC=CC3=C2C=CC(S(=O)(=O)O)=C3)C(N)=C1
[[-4.0948,-1.8012],[-3.3804,-1.3887],[-2.6659,-1.8012],[-1.9514,-1.3887],[-1.9514,-0.5637],[-1.1264,-0.5637],[-0.3014,-0.5637],[0.5236,-0.5637],[0.5236,-1.3887],[1.238,-1.8012],[1.9525,-1.3887],[1.9525,-0.5637],[1.238,-0.1512],[1.238,0.6738],[1.9525,1.0863],[2.667,0.6738],[3.3804,1.0868],[2.9679,1.8012],[4.0948,1.4993]...
[[3,4,2],[4,21,1],[21,23,2],[23,1,1],[1,2,2],[2,3,1],[1,0,1],[21,22,1],[4,5,1],[5,6,2],[6,7,1],[7,8,2],[8,9,1],[9,10,2],[10,11,1],[11,12,2],[12,7,1],[11,20,1],[20,15,2],[15,14,1],[14,13,2],[13,12,1],[15,16,1],[16,17,2],[16,18,2],[16,19,1]]
O=C1C(CCC(O)C2=CC=C(F)C=C2)C(C2=CC=C(OCCCCCCI)C=C2)N1C1=CC=C(F)C=C1
O=C1C(CCC(O)C2=CC=C(F)C=C2)C(C2=CC=C(OCCCCCCI)C=C2)N1C1=CC=C(F)C=C1
[[-1.701,-1.2602],[-1.2269,-0.7861],[-1.2269,-0.1156],[-1.701,0.3585],[-2.3486,0.185],[-2.8227,0.6591],[-2.6492,1.3067],[-3.4703,0.4855],[-3.9444,0.9596],[-4.5921,0.7861],[-4.7656,0.1385],[-5.3528,-0.0351],[-4.2915,-0.3356],[-3.6439,-0.1621],[-0.5564,-0.1156],[-0.0823,0.3585],[0.5653,0.185],[1.0394,0.6591],[0.8659,1.30...
[[2,1,1],[1,29,1],[29,14,1],[14,2,1],[1,0,2],[29,30,1],[30,31,2],[31,32,1],[32,33,2],[33,35,1],[35,36,2],[36,30,1],[33,34,1],[14,15,1],[15,16,2],[16,17,1],[17,18,2],[18,27,1],[27,28,2],[28,15,1],[3,2,1],[4,3,1],[5,4,1],[7,5,1],[7,8,2],[8,9,1],[9,10,2],[10,12,1],[12,13,2],[13,7,1],[10,11,1],[5,6,1],[18,19,1],[19,20,1],[...
C.C.C.C.C.C.C.[3H]C[3H]
[CAA].[AGA].[GTT].[TCA].[GTT].[AGA].[GAA].[3H]C[3H]
[[0.8841,1.269],[-0.2631,0.4569],[0.8841,0.4569],[-0.2631,-0.5486],[0.8841,-0.5486],[-0.2631,-1.4896],[0.8841,-1.4896],[0.5448,1.0771],[-0.1697,1.4896],[-0.8841,1.0771]]
[[7,8,1],[8,9,1]]
C[C@@H](NC(=O)C1=CC(N(C)S(C)(=O)=O)=CC(CBr)=C1)C1=CC=C(F)C=C1
C[C@@H](NC(=O)C1=CC(N(C)S(C)(=O)=O)=CC(CBr)=C1)C1=CC=C(F)C=C1
[[-1.0717,-2.2135],[-1.0717,-1.3885],[-0.3572,-0.976],[0.3572,-1.3885],[0.3572,-2.2135],[1.0717,-0.976],[1.0717,-0.151],[1.7862,0.2615],[1.7862,1.0865],[1.0717,1.499],[2.5006,1.499],[2.9131,0.7845],[2.0881,2.2135],[3.2151,1.9115],[2.5006,-0.151],[2.5006,-0.976],[3.2151,-1.3885],[3.9296,-0.976],[1.7862,-1.3885],[-1.7862...
[[22,24,1],[24,25,2],[25,19,1],[19,20,2],[20,21,1],[21,22,2],[22,23,1],[19,1,1],[1,2,1],[2,3,1],[3,4,2],[3,5,1],[5,18,1],[18,15,2],[15,14,1],[14,7,2],[7,6,1],[6,5,2],[15,16,1],[16,17,1],[7,8,1],[8,9,1],[1,0,6],[8,10,1],[10,12,2],[10,13,2],[10,11,1]]
CCN(CC)C(=O)OCC1CN(C(=O)C2=CC=CC3=C2C=CC=C3)CC1CN1CCC(C2=CC=C(F)C=C2)CC1
CCN(CC)C(=O)OCC1CN(C(=O)C2=CC=CC3=C2C=CC=C3)CC1CN1CCC(C2=CC=C(F)C=C2)CC1
[[9.8451,3.8732],[8.4178,4.2582],[7.3709,3.2113],[7.7559,1.784],[9.1878,1.3944],[5.9437,3.5916],[5.554,5.0235],[4.8967,2.5493],[3.4695,2.9296],[2.7277,1.6526],[3.2582,0.3427],[2.1127,-0.5822],[2.1127,-2.061],[0.8357,-2.8075],[3.3944,-2.8075],[3.3944,-4.2817],[4.6761,-5.0235],[5.9577,-4.2817],[5.9577,-2.8075],[4.6761,-2...
[[36,37,2],[37,31,1],[31,32,2],[32,33,1],[33,34,2],[36,34,1],[34,35,1],[31,30,1],[30,29,1],[29,28,1],[28,27,1],[27,39,1],[39,38,1],[30,38,1],[27,26,1],[26,25,5],[25,24,1],[24,11,1],[11,10,1],[10,9,1],[25,9,1],[8,9,6],[11,12,1],[12,13,2],[12,14,1],[14,15,2],[15,16,1],[16,17,2],[17,18,1],[18,19,2],[14,19,1],[18,23,1],[23...
CCC1=C(C2=NC3=C(C=CC=C3)C(NC3=NNC(C)=N3)=N2)C=CC=C1.CI
CCC1=C(C2=NC3=C(C=CC=C3)C(NC3=NNC(C)=N3)=N2)C=CC=C1.CI
[[2.6788,-0.7812],[1.9643,-0.3687],[1.608,-0.99],[0.8936,-1.4025],[0.1791,-0.99],[-0.5354,-1.4025],[-1.2499,-0.99],[-1.2499,-0.165],[-1.9643,0.2475],[-2.6788,-0.165],[-2.6788,-0.99],[-1.9643,-1.4025],[-0.5354,0.2475],[-0.5354,1.0725],[0.1791,1.485],[0.9637,1.2301],[1.4486,1.8975],[0.9637,2.565],[1.3762,3.2794],[0.1791,...
[[26,25,1],[7,6,2],[6,5,1],[5,4,2],[4,20,1],[20,12,2],[12,7,1],[4,3,1],[12,13,1],[13,14,1],[19,14,1],[14,15,2],[15,16,1],[16,17,1],[17,19,2],[3,21,1],[21,22,2],[22,23,1],[23,24,2],[24,2,1],[2,3,2],[17,18,1],[6,11,1],[7,8,1],[8,9,2],[9,10,1],[10,11,2],[2,1,1],[1,0,1]]
CN1C(=O)[2*](C(=O)N[3*]/N=C/OCC[2*]2C(=O)N([4*]N3C(=O)[2*](OCN[3*]NC(=O)[2*]4C(=O)N([Ar])C4=O)C3=O)C2=O)C1=O
[w[Y1-j]N1C(=O)[2*](C(=O)N[3*]/N=C/OCC[2*]2C(=O)N([4*]N3C(=O)[2*](OCN[3*]NC(=O)[2*]4C(=O)N([Ar])C4=O)C3=O)C2=O)C1=O
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[[34,33,1],[33,35,1],[35,30,1],[30,31,1],[31,33,1],[31,32,2],[35,36,2],[22,37,1],[37,19,1],[19,20,1],[20,22,1],[20,21,2],[37,38,2],[19,18,1],[18,17,1],[17,39,1],[39,14,1],[14,15,1],[15,17,1],[15,16,2],[39,40,2],[14,13,1],[13,12,1],[4,2,1],[2,1,1],[1,41,1],[41,4,1],[2,3,2],[41,42,2],[1,0,1],[30,28,1],[26,27,1],[28,29,2]...
*CCC1OC(C2=CC=CC=C2)OC(C2=CC=C(CC)C=C2)C1[1*].CCN
*[X]CC1OC(C2=CC=CC=C2)OC(C2=CC=C(C[ORZ])C=C2)C1[1*].CCN
[[3.2151,-1.0313],[2.5006,-0.6187],[1.7862,-1.0313],[1.0717,-0.6187],[1.0717,0.2062],[0.3572,0.6187],[0.3572,1.4437],[1.0717,1.8563],[1.0717,2.6812],[0.3572,3.0938],[-0.3572,2.6812],[-0.3572,1.8563],[-0.3572,0.2062],[-0.3572,-0.6187],[-1.0717,-1.0313],[-1.7862,-0.6187],[-2.5006,-1.0313],[-2.5006,-1.8563],[-3.2151,-2.26...
[[24,25,1],[25,26,1],[16,17,2],[17,20,1],[20,21,2],[21,14,1],[14,15,2],[15,16,1],[17,18,1],[18,19,1],[14,13,1],[13,22,1],[13,12,1],[22,3,1],[22,23,1],[3,2,1],[3,4,1],[2,1,1],[1,0,1],[4,5,1],[5,12,1],[5,6,1],[6,7,2],[7,8,1],[8,9,2],[9,10,1],[10,11,2],[11,6,1]]
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC2O[C@@H](/C=C/CCCN)C[C@@H]21.CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC2O[C@H](/C=C/CC(F)(F)CN)C[C@@H]21
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC2O[C@@H](/C=C/CCCN)C[C@@H]21.CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC2O[C@H](/C=C/CC(F)(F)CN)C[C@@H]21
[[3.4927,2.0926],[2.7782,1.6801],[2.0637,2.0926],[1.3492,1.6801],[0.6348,2.0926],[-0.0797,1.6801],[-0.0797,0.8551],[-0.7942,2.0926],[-1.5086,1.6801],[-2.2231,2.0926],[-3.0077,1.8377],[-3.4202,1.1232],[-3.4927,2.5051],[-3.0077,3.1725],[-3.0077,3.9975],[-2.2231,4.2525],[-1.8106,4.9669],[-0.9856,4.9669],[-0.5731,5.6814],[...
[[14,13,6],[13,23,1],[23,22,6],[22,15,1],[15,14,1],[13,12,1],[12,10,1],[10,9,1],[9,23,1],[10,11,6],[15,16,5],[9,8,5],[8,7,2],[7,5,1],[5,4,1],[4,3,1],[3,2,1],[2,1,1],[1,0,1],[5,6,6],[17,16,2],[18,17,1],[19,18,1],[20,19,1],[21,20,1],[38,37,6],[37,49,1],[49,48,6],[48,39,1],[39,38,1],[37,36,1],[36,34,1],[34,33,1],[33,49,1]...
[2*][N+]([3*])([4*])[O-]
[2*][N+]([3*])([4*])[O-]
[[-0.825,0.0],[0.0,0.0],[0.0,0.825],[0.0,-0.825],[0.825,0.0]]
[[0,1,1],[1,4,1],[1,2,1],[1,3,1]]
*C(=O)C=C.*CC#C.*CC1=CC=C(C=C)C=C1.*CC1=CC=C(OCC#C)C=C1.*CC1CC2C=CC1C2
*C(=O)C=C.*CC#C.*CC1=CC=C(C=C)C=C1.*CC1=CC=C(OCC#C)C=C1.*CC1CC2C=CC1C2
[[0.3257,-0.1688],[-0.3888,0.2437],[-0.3888,1.0687],[-1.1033,-0.1688],[-1.1033,-0.9938],[1.578,-0.0914],[2.2925,-0.5039],[3.0069,-0.0914],[3.7214,0.3211],[-6.296,0.2953],[-7.0104,0.7078],[-7.7249,0.2953],[-8.4394,0.7078],[-9.1538,0.2953],[-9.1538,-0.5297],[-9.8683,-0.9422],[-10.5828,-0.5297],[-8.4394,-0.9422],[-7.7249,...
[[16,15,2],[15,14,1],[14,17,1],[17,18,2],[18,11,1],[11,12,2],[12,13,1],[13,14,2],[11,10,1],[10,9,1],[36,35,1],[35,34,1],[34,33,1],[36,37,2],[37,38,1],[33,38,1],[38,39,1],[35,39,1],[33,32,1],[32,31,1],[3,1,1],[1,0,1],[1,2,2],[3,4,2],[5,6,1],[6,7,1],[7,8,3],[22,21,2],[21,30,1],[30,29,2],[29,24,1],[24,23,2],[23,22,1],[21,...
CCCCCC1CCC(C2CCC(C3=CC=C(Cl)C=C3)CC2)CC1
CCCCCC1CCC(C2CCC(C3=CC=C(Cl)C=C3)CC2)CC1
[[-5.5263,-0.2062],[-4.8118,0.2062],[-4.0974,-0.2062],[-3.3829,0.2062],[-2.6684,-0.2062],[-1.8987,0.0],[-1.4862,-0.7145],[-0.6612,-0.7145],[-0.2487,0.0],[0.5763,0.0],[0.9888,-0.7145],[1.8138,-0.7145],[2.2263,0.0],[3.0513,0.0],[3.4638,-0.7145],[4.2888,-0.7145],[4.7013,0.0],[5.5263,0.0],[4.2888,0.7145],[3.4638,0.7145],[1...
[[6,7,1],[7,8,1],[8,22,1],[22,23,1],[23,5,1],[5,6,1],[8,9,1],[9,10,1],[10,11,1],[11,12,1],[12,20,1],[20,21,1],[21,9,1],[12,13,1],[13,14,2],[14,15,1],[15,16,2],[16,18,1],[18,19,2],[19,13,1],[16,17,1],[5,4,1],[0,1,1],[1,2,1],[2,3,1],[3,4,1]]
*C(=O)C1=C(O)C(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1=O
*C(=O)C1=C(O)C(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1=O
[[2.8579,1.2366],[2.1434,1.6491],[2.1434,2.4741],[1.429,1.2366],[0.7137,1.6503],[0.7137,2.4753],[-0.0,1.2366],[-0.7145,1.6491],[-1.429,1.2366],[-2.1434,1.6491],[-2.8579,1.2366],[-2.1434,2.4741],[-0.0,0.4122],[-0.7145,0.8247],[-0.7145,-0.0003],[-1.429,0.4122],[-0.7145,-0.8253],[-1.429,-1.2378],[-1.429,-2.0628],[-2.1434,...
[[12,6,1],[6,4,1],[4,3,2],[3,21,1],[12,21,1],[1,3,1],[0,1,1],[7,6,1],[8,7,1],[9,8,2],[10,9,1],[9,11,1],[4,5,1],[1,2,2],[21,22,2],[12,13,1],[12,14,1],[14,16,1],[16,17,1],[17,18,2],[18,19,1],[14,15,2],[18,20,1]]
C.CO*OP(=O)(OC)OC[N+](C)(C)COP(C)(=O)OC.II
[X-].CO*OP(=O)(O[R3])O[R5][N+]([R2])([R1])[R4]OP(C)(=O)O[R3].II
[[-2.77,0.7512],[8.8216,-2.892],[7.3568,-2.047],[6.0563,-1.2958],[4.7559,-0.5446],[3.4554,-1.2958],[2.1502,-2.047],[4.2066,-2.5962],[5.7089,-2.5962],[2.7042,0.0047],[1.2019,0.0047],[-0.6948,0.0047],[-0.6948,1.507],[-0.6948,-1.4977],[-2.1972,0.0047],[-3.6995,0.0047],[-4.4507,1.3052],[-5.2629,2.7089],[-3.1502,2.0563],[-5...
[[5,6,2],[5,7,1],[5,4,1],[4,3,1],[3,2,1],[2,1,1],[17,16,1],[16,18,2],[16,19,1],[16,15,1],[15,14,1],[14,11,1],[11,12,1],[11,13,1],[11,10,1],[10,9,1],[5,9,1],[7,8,1],[19,20,1],[21,22,1]]
[1*]C([2*])(C[16*])C([3*])N(C([15*])C1=C([4*])C([5*])=C([6*])C([7*])=C1[8*])[Y]([14*])C1=C([9*])C(C(=O)OC)=C([11*])C([12*])=C1[13*].[1*]C([2*])(C[16*])C([3*])N(C([15*])C1=C([4*])C([5*])=C([6*])C([7*])=C1[8*])[Y]([14*])C1=C([9*])C(C)=C([11*])C([12*])=C1[13*]
[1*]C([2*])([X][16*])C([3*])N([Z]([15*])C1=C([4*])C([5*])=C([6*])C([7*])=C1[8*])[Y]([14*])C1=C([9*])C(C(=O)OC)=C([11*])C([12*])=C1[13*].[1*]C([2*])([X][16*])C([3*])N([Z]([15*])C1=C([4*])C([5*])=C([6*])C([7*])=C1[8*])[Y]([14*])C1=C([9*])C([C(O)N(R22)2])=C([11*])C([12*])=C1[13*]
[[-2.918,2.4498],[-2.5055,3.1643],[-2.093,2.4498],[-2.918,3.8788],[-3.7149,3.8796],[-1.6805,3.1643],[-1.268,2.4498],[-0.8952,4.5245],[-0.8952,5.3495],[-1.7202,5.3495],[-0.8952,6.1745],[-1.6097,6.587],[-2.3241,6.1745],[-1.6097,7.412],[-2.3241,7.8245],[-0.8952,7.8245],[-0.8952,8.6495],[-0.1807,7.412],[0.5337,7.8245],[-0....
[[40,38,1],[38,42,1],[38,39,1],[38,37,1],[42,43,1],[70,69,1],[69,60,1],[69,67,2],[67,65,1],[65,63,2],[63,61,1],[61,60,2],[61,62,1],[63,64,1],[65,66,1],[67,68,1],[50,48,1],[48,47,2],[47,56,1],[56,54,2],[54,52,1],[52,50,2],[47,45,1],[56,57,1],[54,55,1],[52,53,1],[50,51,1],[48,49,1],[45,44,1],[45,46,1],[60,58,1],[58,59,1]...
C.C.C.CCCC(C)CCC.C[H]C
[[].[]].[[].C[G]C[CR1]](C)[[Q]v][[L]w][SO2R2].C[H]C
[[-1.7017,0.6211],[-1.1023,0.6211],[-0.6575,0.6211],[-2.2147,0.6211],[-1.3897,0.6211],[-0.3713,0.6211],[0.834,0.6211],[2.2147,0.6211],[0.9032,-0.2039],[0.9321,-1.0289],[0.8355,-1.8539],[-0.825,1.8539],[0.0,1.8539],[0.825,1.8539]]
[[11,12,5],[12,13,5],[3,4,1],[4,5,1],[5,6,1],[6,7,1],[6,8,1],[8,9,1],[9,10,1]]
CCCCCCCCN(CCCSC1=C(C(=O)O)C=CC=C1)/C1=N/C2=C(C=CC=C2)O1
CCCCCCCCN(CCCSC1=C(C(=O)O)C=CC=C1)/C1=N/C2=C(C=CC=C2)O1
[[3.415,-2.297],[2.7005,-1.8845],[1.9861,-2.297],[1.2716,-1.8845],[0.5571,-2.297],[-0.1573,-1.8845],[-0.1573,-1.0595],[-0.8718,-0.647],[-0.8718,0.178],[-0.1573,0.5905],[0.5571,0.178],[1.2716,0.5905],[1.9861,0.178],[2.7005,0.5905],[3.415,0.178],[3.415,-0.647],[2.7005,-1.0595],[4.1295,-1.0595],[4.1295,0.5905],[4.1295,1.4...
[[9,10,1],[10,11,1],[9,8,1],[8,22,1],[29,28,2],[28,27,1],[27,26,2],[26,25,1],[25,24,2],[24,29,1],[25,30,1],[30,22,1],[22,23,2],[23,24,1],[8,7,1],[7,6,1],[13,14,2],[14,18,1],[18,19,2],[19,20,1],[20,21,2],[21,13,1],[11,12,1],[12,13,1],[14,15,1],[15,16,2],[15,17,1],[6,5,1],[5,4,1],[4,3,1],[3,2,1],[2,1,1],[1,0,1]]
C.C.C.C.C.C.C.C.C.N=O.O.O=C=O.O=[Ce](=O)(=O)[Ce].O=[Ce](=O)(=O)[Ce].O=[Ce](=O)(=O)[Ce].O=[Ce](=O)(=O)[Ce].O=[Ce](=O)=O.O=[Ce](=O)=O.O=[Ce](=O)=O.O=[Ce](=O)=O.O=[Ce]=O.O=[Ce]=O.O=[Ce]=O.O=[Ce]=O.[C-]#[O+].[HH]
[0.5O2].[+].[+].[+].[+].[0.5N2].[+].[+].[+].N=O.O.O=C=O.O=[Ce](=O)(=O)[Ce].O=[Ce](=O)(=O)[Ce].O=[Ce](=O)(=O)[Ce].O=[Ce](=O)(=O)[Ce].O=[Ce](=O)=O.O=[Ce](=O)=O.O=[Ce](=O)=O.O=[Ce](=O)=O.O=[Ce]=O.O=[Ce]=O.O=[Ce]=O.O=[Ce]=O.[C-]#[O+].[HH]
[[-1.0513,2.3244],[-1.3939,0.7002],[2.8134,-0.7887],[2.8331,0.7002],[-1.3457,-0.7887],[3.1972,0.7002],[2.7847,-2.3244],[-1.4047,2.3244],[-1.3314,-2.3244],[-0.9802,0.7002],[-0.1552,0.7002],[3.2118,-2.3244],[4.0368,-0.7887],[3.2118,-0.7887],[2.3868,-0.7887],[-3.3017,2.3244],[-2.4767,2.3244],[-2.4767,3.1494],[-1.6517,2.32...
[[48,47,2],[48,49,2],[48,50,2],[36,35,2],[36,37,2],[36,38,2],[24,21,1],[21,20,2],[21,22,2],[21,23,2],[44,43,2],[44,45,2],[44,46,2],[40,39,2],[40,41,2],[40,42,2],[63,64,3],[29,26,1],[26,25,2],[26,27,2],[26,28,2],[13,12,2],[13,14,2],[34,31,1],[31,30,2],[31,32,2],[31,33,2],[9,10,2],[52,51,2],[52,53,2],[55,54,2],[55,56,2],...
*.B.C.CC(=O)O.CCCCCCCCCCC(=O)C1=NC=CC=C1.CCCCCCCCCCC(O)C1CCCCN1.CCCCCCCCCC[Mg]Br.N#CC1=NC=CC=C1
*.B.C.CC(=O)[0].CCCCCCCCCCC(=O)C1=NC=CC=C1.CCCCCCCCCCC(O)C1CCCCN1.CCCCCCCCCC[Mg]Br.N#CC1=NC=CC=C1
[[-4.4149,4.3915],[-2.1034,0.215],[2.2244,-4.3],[0.7602,-0.4235],[1.4747,-0.011],[1.4747,0.814],[2.1892,-0.4235],[-4.4491,-1.8411],[-3.7347,-1.4286],[-3.0202,-1.8411],[-2.3057,-1.4286],[-1.5913,-1.8411],[-0.8768,-1.4286],[-0.1623,-1.8411],[0.5521,-1.4286],[1.2666,-1.8411],[1.9811,-1.4286],[-0.6978,2.1795],[-0.6978,3.00...
[[59,60,2],[60,61,1],[61,62,2],[62,57,1],[57,58,2],[58,59,1],[57,56,1],[56,55,3],[54,53,1],[53,52,1],[52,51,1],[51,50,1],[50,49,1],[49,48,1],[48,47,1],[47,46,1],[46,45,1],[45,44,1],[44,43,1],[41,40,1],[40,39,1],[39,38,1],[38,37,1],[37,42,1],[42,41,1],[37,35,1],[35,36,1],[35,34,1],[34,33,1],[33,32,1],[32,31,1],[31,30,1]...
C=C(C)C(=O)OCCCCCCCCCCCC.C=CN1CCCC1=O.C=COC(=O)C(=C)C
C=C(C)C(=O)OCCCCCCCCCCCC.C=CN1CCCC1=O.C=COC(=O)C(=C)C
[[3.0055,1.0505],[3.72,0.638],[4.4344,1.0505],[3.72,-0.187],[4.4344,-0.5995],[3.0055,-0.5995],[3.0055,-1.4245],[2.291,-1.837],[1.5765,-1.4245],[0.8621,-1.837],[0.1476,-1.4245],[-0.5669,-1.837],[-1.2813,-1.4245],[-1.9958,-1.837],[-2.7103,-1.4245],[-3.4248,-1.837],[-4.1392,-1.4245],[-4.8537,-1.837],[2.3467,-4.8105],[2.75...
[[19,20,1],[20,21,1],[21,22,1],[22,23,1],[23,24,1],[24,20,1],[24,25,2],[19,18,2],[1,3,1],[1,0,2],[1,2,1],[3,4,2],[3,5,1],[5,6,1],[6,7,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[14,15,1],[15,16,1],[16,17,1],[31,29,1],[31,32,2],[31,33,1],[29,30,2],[29,28,1],[28,27,1],[27,26,2]]
[1*]C(C(C)=O)C([3*])C1([4*])C(=[N+]2CCC2)CC([6*])C1[5*]
[1*]C(C([OR2])=O)C([3*])C1([4*])C(=[N+]2C[X]C2)[Z]C([6*])C1[5*]
[[0.684,-0.9959],[0.684,-0.1709],[1.3985,0.2416],[2.1129,-0.1709],[1.811,0.9561],[-0.0305,0.2416],[-0.0305,1.0666],[-0.7449,-0.1709],[-0.0305,-0.5834],[-1.5296,0.0841],[-1.5296,0.9091],[-0.9462,1.4924],[-1.5296,2.0758],[-2.1129,1.4924],[-2.0145,-0.5834],[-1.5296,-1.2508],[-1.5296,-2.0758],[-0.7449,-0.9959],[-0.0305,-1....
[[17,7,1],[7,9,1],[9,14,1],[14,15,1],[15,17,1],[9,10,2],[10,11,1],[11,12,1],[12,13,1],[13,10,1],[15,16,1],[17,18,1],[7,5,1],[7,8,1],[5,1,1],[5,6,1],[1,0,1],[1,2,1],[2,3,1],[2,4,2]]
CNC1=CC=C(S(=O)(=O)O)C(N=NC2C(=O)N(C3=CC=C(S(=O)(=O)O)C=C3)N=C2C(=O)O)=C1
CNC1=CC=C(S(=O)(=O)O)C(N=NC2C(=O)N(C3=CC=C(S(=O)(=O)O)C=C3)N=C2C(=O)O)=C1
[[-3.7282,2.4358],[-2.6508,2.4358],[-1.8258,2.4358],[-1.8258,1.6108],[-1.1113,1.1983],[-0.3968,1.6108],[0.4282,1.6108],[0.4282,2.4358],[1.2532,1.6108],[0.4282,0.7858],[-0.3968,2.4358],[0.4282,2.4358],[1.2532,2.4358],[1.6657,1.7213],[1.4107,0.9367],[0.6963,0.5242],[2.0782,0.4517],[2.0782,-0.3733],[2.7926,-0.7858],[2.792...
[[2,3,2],[3,4,1],[4,5,2],[5,10,1],[10,32,2],[32,2,1],[10,11,1],[11,12,2],[28,13,1],[13,14,1],[14,16,1],[16,27,1],[27,28,2],[13,12,1],[16,17,1],[14,15,2],[17,26,1],[26,25,2],[25,20,1],[20,19,2],[19,18,1],[18,17,2],[2,1,1],[1,0,1],[20,21,1],[21,22,2],[21,23,2],[21,24,1],[5,6,1],[6,7,2],[6,8,2],[6,9,1],[28,29,1],[29,30,2]...
*C.[H]N(CCN)C(=O)OC(CC)CCC(CC)CCc1ccccc1
*C.[H]N(CCN)C(=O)OC(CC)C[[O]C(CC)C[]mO]c1ccccc1
[[5.1627,-0.5371],[4.5435,-0.179],[-2.658,-0.7153],[-2.658,-0.0],[-3.6429,-0.0],[-4.6148,-0.0],[-5.1627,-0.0],[-1.9427,-0.0],[-1.9427,0.7153],[-1.2274,-0.0],[-0.5122,-0.0],[-0.2025,-0.1788],[0.512,-0.5913],[0.2031,-0.0],[0.7286,-0.0],[1.5002,-0.0],[1.8099,-0.1788],[2.5244,-0.5913],[2.1485,-0.0],[2.6516,-0.0],[3.5187,-0...
[[6,5,1],[5,4,1],[4,3,1],[3,2,1],[3,7,1],[7,8,2],[7,9,1],[9,10,1],[10,13,1],[13,14,1],[14,15,1],[15,18,1],[18,19,1],[19,20,1],[20,25,4],[25,24,4],[24,23,4],[23,22,4],[22,21,4],[21,20,4],[10,11,1],[12,11,1],[15,16,1],[17,16,1],[1,0,1]]
CC(=O)C1=CC2=C(NC3CCC(O)CC3)N=C(C3=CC=CC=C3)N=C2N1
[OH.]C(=O)C1=CC2=C(NC3CCC(O)CC3)N=C(C3=CC=CC=C3)N=C2N1
[[3.0397,-0.7293],[2.6272,-1.4437],[3.0397,-2.1582],[1.8022,-1.4437],[1.3173,-0.7763],[0.5327,-1.0312],[-0.1818,-0.6187],[-0.1818,0.2062],[0.2204,1.0313],[0.9348,1.4437],[0.9348,2.2687],[0.2204,2.6812],[0.2204,3.5062],[-0.4941,2.2687],[-0.4941,1.4437],[-0.8963,-1.0312],[-0.8963,-1.8562],[-1.6108,-2.2687],[-2.3252,-1.85...
[[19,20,2],[20,21,1],[21,22,2],[22,17,1],[17,18,2],[18,19,1],[17,16,1],[16,23,1],[23,24,2],[24,5,1],[5,6,2],[6,15,1],[15,16,2],[24,25,1],[25,3,1],[3,4,2],[4,5,1],[3,1,1],[1,0,1],[6,7,1],[7,8,5],[8,9,1],[9,10,1],[10,11,1],[11,13,1],[13,14,1],[14,8,1],[11,12,6],[1,2,2]]
CCN1C(=O)C2=C(N=C(NC3CCCCC3)N2CC2=CC=C(O)C=C2)N(CC(C)C)C1=O
CCN1C(=O)C2=C(N=C(NC3CCCCC3)N2CC2=CC=C(O)C=C2)N(CC(C)C)C1=O
[[-3.264,1.7908],[-3.264,0.9658],[-2.5496,0.5533],[-1.8351,0.9658],[-1.8351,1.7908],[-1.1206,0.5533],[-1.1206,-0.2717],[-0.336,-0.5266],[0.1489,0.1408],[0.9739,0.1408],[1.3864,-0.5736],[0.9739,-1.2881],[1.3864,-2.0026],[2.2114,-2.0026],[2.6239,-1.2881],[2.2114,-0.5736],[-0.336,0.8083],[0.0765,1.5227],[0.8734,1.7363],[1...
[[2,30,1],[30,25,1],[25,6,1],[6,5,2],[5,3,1],[3,2,1],[2,1,1],[3,4,2],[30,31,2],[25,26,1],[6,7,1],[7,8,2],[8,16,1],[16,5,1],[8,9,1],[16,17,1],[9,10,1],[17,18,1],[18,19,2],[19,20,1],[20,21,2],[21,23,1],[23,24,2],[24,18,1],[21,22,1],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[14,15,1],[15,10,1],[1,0,1],[26,27,1],[27,28,1],[2...
CCC(CC1=CC=CC=C1)(C(=O)C1=CC=C(OC2=CC=C(C(=O)C(C)(C)O)C=C2)C=C1)N(C)C
CCC(CC1=CC=CC=C1)(C(=O)C1=CC=C(OC2=CC=C(C(=O)C(C)(C)O)C=C2)C=C1)N(C)C
[[3.5171,-1.8885],[3.9296,-1.174],[3.2151,-0.7615],[3.4286,0.0354],[2.8453,0.6187],[3.0588,1.4156],[2.4754,1.999],[1.6786,1.7855],[1.465,0.9886],[2.0484,0.4052],[2.5006,-1.174],[2.5006,-1.999],[1.7862,-0.7615],[1.0717,-1.174],[0.3572,-0.7615],[0.3572,0.0635],[-0.3572,0.476],[-1.0717,0.0635],[-1.7862,0.476],[-2.5006,0.0...
[[19,20,2],[20,27,1],[27,28,2],[28,17,1],[17,18,2],[18,19,1],[20,21,1],[21,23,1],[21,22,2],[23,24,1],[23,25,1],[23,26,1],[17,16,1],[16,15,1],[15,14,2],[14,13,1],[13,12,2],[12,30,1],[30,29,2],[29,15,1],[12,10,1],[10,2,1],[10,11,2],[2,31,1],[31,32,1],[2,1,1],[31,33,1],[1,0,1],[7,8,1],[8,9,2],[9,4,1],[4,5,2],[5,6,1],[6,7,...
[1*]OC1=CC=C(C([H])=O)C=C1
[1*]OC1=CC=C(C([H])=O)C=C1
[[0.7697,-1.8563],[-0.0553,-1.8563],[-0.0553,-1.0313],[0.6592,-0.6187],[0.6592,0.2062],[-0.0553,0.6187],[-0.0553,1.4437],[0.6592,1.8563],[-0.7697,1.8563],[-0.7697,0.2062],[-0.7697,-0.6187]]
[[9,10,2],[10,2,1],[2,3,2],[3,4,1],[4,5,2],[5,9,1],[2,1,1],[1,0,1],[5,6,1],[6,7,1],[6,8,2]]
CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCC1=C(Br)C=CC=C1)C2(C)C)C(C)(C)C)C(C)(C)C)S(C)(=O)=O
CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCC1=C(Br)C=CC=C1)C2(C)C)C(C)(C)C)C(C)(C)C)S(C)(=O)=O
[[-5.1913,-3.1914],[-4.9778,-2.3945],[-4.2633,-1.982],[-3.5488,-2.3945],[-2.8344,-1.982],[-2.8344,-1.157],[-3.5488,-0.7445],[-2.1199,-0.7445],[-2.1199,0.0805],[-1.4054,0.493],[-0.691,0.0805],[-1.4054,1.318],[-2.0729,1.8029],[-1.8179,2.5875],[-0.9929,2.5875],[-0.738,1.8029],[-0.0235,1.3904],[-0.0235,0.5654],[0.691,1.802...
[[9,8,1],[9,10,2],[9,11,1],[11,15,1],[15,14,1],[14,13,1],[13,12,1],[12,11,1],[14,36,6],[13,36,6],[36,37,1],[36,38,1],[15,16,5],[16,18,1],[16,17,2],[19,18,1],[24,19,1],[26,24,1],[27,26,1],[28,27,1],[29,28,1],[19,20,6],[24,25,2],[20,21,1],[21,22,1],[23,21,1],[7,8,1],[5,7,1],[5,6,2],[5,4,1],[4,3,1],[3,43,5],[43,44,1],[43,...
C[C@@H](O)[C@H]([NH3+])C1=CC=C(Br)C=C1.O=C(O)C(=O)O
C[C@@H](O)[C@H]([NH3+])C1=CC=C(Br)C=C1.O=C(O)C(=O)O
[[0.8752,-1.7973],[0.8752,-0.9723],[1.5897,-0.5598],[0.1607,-0.5598],[0.1607,0.2652],[-0.5537,-0.9723],[-1.2682,-0.5598],[-1.9827,-0.9723],[-1.9827,-1.7973],[-2.6972,-2.2098],[-1.2682,-2.2098],[-0.5537,-1.7973],[1.2682,2.2098],[1.2682,1.3848],[0.5537,0.9723],[1.9827,0.9723],[1.9827,0.1473],[2.6972,1.3848]]
[[5,6,2],[6,7,1],[7,8,2],[8,10,1],[10,11,2],[11,5,1],[8,9,1],[5,3,1],[3,1,1],[1,2,6],[1,0,1],[3,4,5],[14,13,5],[15,13,1],[17,15,1],[13,12,2],[15,16,2]]
C.N#CC1=CC=C(/C=C/C2=CC=C(/C=C/C3=CC=CC=C3C#N)C=C2)C=C1
[and].N#CC1=CC=C(/C=C/C2=CC=C(/C=C/C3=CC=CC=C3C#N)C=C2)C=C1
[[5.1411,0.3572],[5.2078,0.3572],[4.3828,0.3572],[3.6352,0.3572],[3.2227,-0.3572],[2.3977,-0.3572],[1.9852,0.3572],[1.2375,0.3572],[0.825,-0.3572],[0.0773,-0.3572],[-0.3352,-1.0717],[-1.1602,-1.0717],[-1.5727,-0.3572],[-2.359,-0.3572],[-2.7715,0.3572],[-3.5578,0.3572],[-3.9703,1.0717],[-4.7953,1.0717],[-5.2078,0.3572],...
[[17,18,2],[18,19,1],[19,20,2],[20,15,1],[15,16,2],[16,17,1],[15,14,1],[14,13,2],[13,12,1],[12,11,2],[11,10,1],[10,9,2],[9,24,1],[24,23,2],[23,12,1],[9,8,1],[8,7,2],[7,6,1],[6,5,2],[5,4,1],[4,3,2],[3,26,1],[26,25,2],[25,6,1],[3,2,1],[2,1,3],[20,21,1],[21,22,3]]
C=CCOC1=C2CC3[C@H]4C5=C(C=C(C)C(OC)=C5O)C[C@@H]([C@H](C#N)N3[C@@H](CO)C2=C2OCOC2=C1C)N4C.C=CCOC1=C2CC3[C@H]4C5=C(C=C(C)C(OC)=C5O)C[C@@H]([C@H](C#N)N3[C@@H](CO[Si](C)(C)C(C)(C)C)C2=C2OCOC2=C1C)N4C
C=CCOC1=C2CC3[C@H]4C5=C(C=C(C)C(OC)=C5O)C[C@@H]([C@H](C#N)N3[C@@H](CO)C2=C2OCOC2=C1C)N4C.C=CCOC1=C2CC3[C@H]4C5=C(C=C(C)C(OC)=C5O)C[C@@H]([C@H](C#N)N3[C@@H](CO[Si](C)(C)C(C)(C)C)C2=C2OCOC2=C1C)N4C
[[-5.1862,6.576],[-4.4717,6.1635],[-4.4717,5.3385],[-3.7572,4.926],[-3.7572,4.101],[-3.0428,3.6885],[-2.3283,4.101],[-1.6138,3.6885],[-0.8994,4.101],[-0.1849,4.5135],[0.5296,4.101],[1.2441,4.5135],[1.2441,5.3385],[1.9585,5.751],[0.5296,5.751],[0.8868,6.3697],[1.6013,5.9572],[-0.1849,5.3385],[-0.8994,5.751],[0.5296,3.27...
[[19,10,1],[34,33,2],[33,29,1],[29,28,2],[28,5,1],[5,4,2],[4,34,1],[33,32,1],[32,31,1],[31,30,1],[30,29,1],[4,3,1],[28,25,1],[25,24,1],[24,7,1],[7,6,1],[6,5,1],[24,21,1],[21,20,1],[20,36,1],[36,8,1],[8,7,1],[8,9,5],[20,19,5],[9,10,2],[10,11,1],[11,12,2],[12,14,1],[14,17,2],[17,9,1],[17,18,1],[25,26,5],[26,27,1],[3,2,1]...
C=CC1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC2=C3C=CC(OC)=CC3=NC(C3=CC=CC=C3)=C2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)CC(C)(C)C
C=CC1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC2=C3C=CC(OC)=CC3=NC(C3=CC=CC=C3)=C2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)CC(C)(C)C
[[3.7326,3.2732],[3.1843,2.7249],[2.4353,2.9256],[1.6599,2.9256],[2.0476,2.254],[1.376,1.8663],[0.7045,2.254],[0.7045,3.0294],[0.033,1.8663],[0.4887,1.239],[0.033,0.6117],[0.4207,-0.0599],[1.1697,-0.2606],[0.969,-1.0096],[0.22,-1.2103],[0.0193,-1.9593],[0.5676,-2.5076],[0.3669,-3.2566],[0.9152,-3.8049],[1.3166,-2.3069]...
[[8,6,6],[6,5,1],[6,7,2],[31,32,1],[32,34,1],[32,33,2],[34,35,1],[5,4,1],[4,47,1],[47,49,1],[47,48,2],[49,50,1],[4,2,6],[2,3,1],[4,3,5],[35,36,1],[36,38,1],[36,37,2],[34,43,6],[43,44,1],[43,45,1],[38,39,1],[39,40,1],[39,41,1],[39,42,1],[31,30,1],[30,10,1],[10,9,1],[9,8,1],[8,31,1],[10,11,5],[11,12,1],[12,13,2],[13,20,1...
CC1Cc2ccc3ccccc3c2C1O
CC1Cc2ccc3ccccc3c2C1O
[[2.119,-0.6187],[1.294,-0.6187],[0.8091,-1.2862],[0.0244,-1.0313],[-0.69,-1.4437],[-1.4045,-1.0313],[-1.4045,-0.2062],[-2.119,0.2062],[-2.119,1.0313],[-1.4045,1.4437],[-0.69,1.0313],[-0.69,0.2062],[0.0244,-0.2062],[0.8091,0.0487],[1.2216,0.7632]]
[[8,7,4],[7,6,4],[6,11,4],[11,10,4],[10,9,4],[9,8,4],[6,5,4],[5,4,4],[4,3,4],[3,12,4],[12,11,4],[3,2,1],[2,1,1],[1,13,1],[13,12,1],[1,0,1],[13,14,1]]
CC(C)=C(C)C1=NC(C)(C)C(=O)O1
[R1]C([R2])=C([R3])C1=NC([R4])([R5])C(=O)O1
[[-2.5305,0.8638],[-2.5305,-0.6385],[-3.831,-1.3897],[-1.23,-1.3897],[-1.23,-2.892],[0.0704,-0.6385],[0.0704,0.8451],[1.385,1.3897],[1.385,2.892],[2.8357,1.7793],[2.3333,0.23],[3.8357,0.23],[1.5211,-1.0282]]
[[0,1,1],[1,3,2],[1,2,1],[3,4,1],[3,5,1],[5,12,1],[12,10,1],[10,7,1],[7,6,1],[5,6,2],[10,11,2],[7,8,1],[7,9,1]]
CC[C@H]1CN(C2=NC=C(C3=NN=NN3)C=C2Cl)CCN1C1CCN(CC2=C(F)C=C(Cl)C=C2)CC1
CC[C@H]1CN(C2=NC=C(C3=NN=NN3)C=C2Cl)CCN1C1CCN(CC2=C(F)C=C(Cl)C=C2)CC1
[[-1.4144,-2.0273],[-0.7445,-1.6406],[-0.7445,-0.8672],[-1.4144,-0.4804],[-1.4144,0.293],[-2.0842,0.6797],[-2.754,0.293],[-3.4238,0.6797],[-3.4238,1.4532],[-4.0936,1.8399],[-4.0936,2.6133],[-4.8292,2.8523],[-5.2838,2.2266],[-4.8292,1.6009],[-2.754,1.8399],[-2.0842,1.4532],[-1.4144,1.8399],[-0.7445,0.6797],[-0.0747,0.29...
[[8,7,2],[7,6,1],[6,5,2],[5,15,1],[15,14,2],[14,8,1],[15,16,1],[5,4,1],[4,3,1],[3,2,1],[2,19,1],[19,18,1],[18,17,1],[17,4,1],[19,20,1],[20,21,1],[21,22,1],[22,23,1],[23,33,1],[33,34,1],[34,20,1],[23,24,1],[24,25,1],[25,26,2],[26,28,1],[28,29,2],[29,31,1],[31,32,2],[32,25,1],[29,30,1],[8,9,1],[9,10,2],[10,11,1],[11,12,2...
C=C1C=CC2=C([C@@H](O)CNCC3=C(OC)C=C(NC(=O)CCN4CCC(OC(=O)NC5=CC=CC=C5C5=CC=CC=C5)CC4)C(Cl)=C3)C=CC(O)=C2N1
[O.]=C1C=CC2=C([C@@H](O)CNCC3=C(OC)C=C(NC(=O)CCN4CCC(OC(=O)NC5=CC=CC=C5C5=CC=CC=C5)CC4)C(Cl)=C3)C=CC(O)=C2N1
[[5.4141,-0.5436],[4.9433,-0.2718],[4.9433,0.2718],[4.4725,0.5436],[4.0017,0.2718],[3.5309,0.5436],[3.5309,1.0872],[4.0017,1.3591],[3.0601,1.3591],[2.5893,1.0872],[2.1185,1.3591],[1.6478,1.0872],[1.177,1.3591],[1.177,1.9027],[1.6478,2.1745],[0.7062,1.0872],[0.7062,0.5436],[0.2354,0.2718],[-0.2354,0.5436],[-0.2354,1.087...
[[33,34,1],[34,35,2],[35,30,1],[30,31,2],[31,32,1],[32,33,2],[35,36,1],[36,41,1],[41,40,2],[40,39,1],[39,38,2],[38,37,1],[37,36,2],[30,29,1],[29,27,1],[27,26,1],[27,28,2],[26,25,1],[25,24,1],[24,23,1],[23,22,1],[22,43,1],[43,42,1],[42,25,1],[22,21,1],[21,20,1],[20,18,1],[18,17,1],[18,19,2],[17,16,1],[16,44,1],[44,46,2]...
CC1=NC(C2=CC=C(F)C=C2)=C(C2=CC(F)=C(OS(N)=O)C=C2)O1
CC1=NC(C2=CC=C(F)C=C2)=C(C2=CC(F)=C(OS(N)=O)C=C2)O1
[[6.1455,1.3709],[4.6573,1.3709],[3.7183,2.5211],[2.4178,1.9812],[1.1268,2.723],[-0.169,1.9812],[-1.4413,2.723],[-1.4413,4.2113],[-2.7371,4.9577],[-0.169,4.9577],[1.1268,4.2113],[2.4178,0.5305],[1.1268,-0.2254],[-0.169,0.5305],[-1.4413,-0.2254],[-2.7371,0.5305],[-1.4413,-1.7089],[-4.2864,-2.4507],[-4.6854,-3.9014],[-3....
[[21,22,2],[22,12,1],[12,13,2],[13,14,1],[14,15,1],[11,23,1],[23,1,1],[1,2,2],[2,3,1],[11,3,2],[12,11,1],[3,4,1],[4,10,1],[10,9,2],[9,7,1],[7,6,2],[6,5,1],[4,5,2],[1,0,1],[17,16,1],[21,16,1],[14,16,2],[7,8,1],[19,18,1],[18,17,1],[18,20,2]]
N#CS[Mn]1234(SC#N)N5CCN1[C@@H]1CCCC[C@H]1N2CC[N@]3C1CCCCC1[N@@]4CC5.[HH].[HH].[HH].[HH]
N#CS[Mn]1234(SC#N)N5CCN1[C@@H]1CCCC[C@H]1N2CC[N@]3C1CCCCC1[N@@]4CC5.[HH].[HH].[HH].[HH]
[[-1.0817,1.2871],[-0.3673,0.8746],[0.3472,0.4621],[-0.0547,-0.1308],[-0.4672,-0.8453],[-1.2922,-0.8453],[-2.1172,-0.8453],[-0.0547,-1.5359],[-0.9352,-1.8461],[-1.5186,-1.2628],[-1.305,-0.4659],[-2.0095,0.4172],[-2.8345,0.4172],[-3.247,1.1317],[-2.8345,1.8461],[-2.0095,1.8461],[-1.597,1.1317],[-0.878,1.1279],[-0.4655,1...
[[20,19,1],[19,18,1],[18,17,1],[11,10,6],[10,9,1],[9,8,1],[8,7,1],[7,29,1],[29,28,1],[28,27,1],[7,3,1],[10,3,1],[27,3,1],[17,3,1],[20,3,1],[12,11,1],[11,16,1],[16,15,1],[15,14,1],[14,13,1],[13,12,1],[16,17,5],[26,21,1],[20,21,6],[27,26,5],[26,25,1],[25,24,1],[24,23,1],[23,22,1],[22,21,1],[3,2,1],[2,1,1],[1,0,3],[3,4,6]...
C.COC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@@H](OS(=O)(=O)C3=CC=C(Br)C=C3)C[C@H]1C(=O)N2.[6*]/C1=C(OC)/C=C\C2=C1N=C(C1=CSC(NC(=O)C(C)C)=N1)C=C2O
[and].COC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@@H](OS(=O)(=O)C3=CC=C(Br)C=C3)C[C@H]1C(=O)N2.[6*]/C1=C(OC)/C=C\C2=C1N=C(C1=CSC(NC(=O)C(C)C)=N1)C=C2O
[[4.4416,-5.8514],[2.2754,5.4137],[1.561,5.0012],[0.8465,5.4137],[0.132,5.0012],[0.4892,5.2075],[0.2757,6.0044],[-0.3076,5.421],[-0.9328,6.5222],[-1.9738,6.231],[-2.2316,5.6325],[-3.1201,5.6358],[-3.4842,4.7376],[-2.7408,4.2381],[-2.7408,3.4131],[-2.0263,3.0006],[-2.0263,2.1756],[-2.7408,1.7631],[-3.4552,2.1756],[-2.74...
[[54,55,1],[55,56,2],[56,68,1],[68,69,2],[69,53,1],[53,54,2],[53,52,1],[52,51,2],[51,48,1],[48,47,2],[47,54,1],[69,70,1],[47,46,1],[56,57,1],[57,67,1],[67,60,2],[60,59,1],[59,58,1],[58,57,2],[60,61,1],[61,62,1],[62,63,2],[62,64,1],[64,65,1],[64,66,1],[48,49,1],[50,49,1],[14,15,1],[15,25,1],[25,27,1],[15,16,5],[25,26,2]...
*C1=CC=C2CC3[Y]CCC3([3*])C2=C1.*C1=CC=C2CC=C([6*])C2=C1.*C1=CC=C2CCC([3*])([6*])C2=C1
*C1=CC=C2[X]C3[Y]CCC3([3*])C2=C1.*C1=CC=C2[X]C=C([6*])C2=C1.*C1=CC=C2[X]CC([3*])([6*])C2=C1
[[-2.0945,4.3557],[-1.38,3.9432],[-1.38,3.1182],[-0.6655,2.7057],[0.049,3.1182],[0.8336,2.8633],[1.3185,3.5307],[2.1031,3.7857],[2.1031,4.6107],[1.3185,4.8656],[0.8336,4.1982],[0.4211,4.9126],[0.049,3.9432],[-0.6655,4.3557],[-1.8459,-3.2626],[-1.1314,-3.6751],[-1.1314,-4.5001],[-0.4169,-4.9126],[0.2975,-4.5001],[1.0822...
[[18,23,1],[23,24,2],[24,15,1],[15,16,2],[16,17,1],[17,18,2],[18,19,1],[19,20,1],[20,21,2],[21,23,1],[15,14,1],[22,21,1],[29,35,1],[35,36,2],[36,26,1],[26,27,2],[27,28,1],[28,29,2],[29,30,1],[30,31,1],[31,32,1],[32,35,1],[26,25,1],[33,32,1],[34,32,1],[4,12,1],[12,13,2],[13,1,1],[1,2,2],[2,3,1],[3,4,2],[4,5,1],[5,6,1],[...
*C1=CC=CC(*)=C1C
*C1=CC=CC(*)=C1[N2+]
[[-1.4289,0.4125],[-0.7145,0.0],[-0.7145,-0.825],[0.0,-1.2375],[0.7145,-0.825],[0.7145,0.0],[1.4289,0.4125],[0.0,0.4125],[0.0,1.2375]]
[[1,2,2],[2,3,1],[3,4,2],[4,5,1],[5,7,2],[7,1,1],[7,8,1],[1,0,1],[5,6,1]]
C=C(C[N+]1(C)C=CN=C1)C1=CC=CC=C1.[Br-]
C=C(C[N+]1(C)C=CN=C1)C1=CC=CC=C1.[Br-]
[[-0.2775,1.11],[-0.2775,0.285],[0.4369,-0.1275],[1.1514,0.285],[1.1514,-0.54],[1.1514,1.11],[1.936,1.365],[2.4209,0.6975],[1.936,0.0301],[-0.992,-0.1275],[-1.7065,0.285],[-2.4209,-0.1275],[-2.4209,-0.9525],[-1.7065,-1.365],[-0.992,-0.9525],[1.5485,-0.7639]]
[[11,12,2],[12,13,1],[13,14,2],[14,9,1],[9,10,2],[10,11,1],[9,1,1],[1,2,1],[1,0,2],[2,3,1],[3,5,1],[3,8,1],[8,7,2],[7,6,1],[6,5,2],[3,4,1]]
*C1=CC2=C(C=C1)[Y]C1(*C2)CCN([C@H](C)C(=O)NO)C1=O.C
*C1=CC2=C(C=C1)[Y]C1(*C2)CCN([C@H](C)C(=O)NO)C1=O.[M]
[[3.92,-0.6447],[3.095,-0.6447],[2.6825,0.0698],[1.8575,0.0698],[1.445,-0.6447],[1.8575,-1.3592],[2.6825,-1.3592],[0.62,-0.6447],[0.2075,0.0698],[0.62,0.7842],[1.445,0.7842],[-0.2775,-0.5977],[-1.0621,-0.3427],[-1.0621,0.4823],[-1.7766,0.8948],[-1.7766,1.7198],[-2.491,0.4823],[-2.491,-0.3427],[-3.2055,0.8948],[-3.92,0....
[[19,18,1],[18,16,1],[16,14,1],[16,17,2],[14,13,1],[14,15,5],[13,12,1],[12,11,1],[11,8,1],[8,20,1],[20,13,1],[20,21,2],[8,7,1],[7,4,1],[4,3,2],[3,10,1],[10,9,1],[9,8,1],[4,5,1],[5,6,2],[6,1,1],[1,2,2],[2,3,1],[1,0,1]]
CN1C(CC2=CC=CC=C2)=CC2=CN=C(NC3CCCC3)N=C21
CN1C(CC2=CC=CC=C2)=CC2=CN=C(NC3CCCC3)N=C21
[[1.3886,-0.7227],[0.9761,-0.0082],[1.461,0.6592],[2.286,0.6592],[2.6985,-0.0553],[2.286,-0.7697],[2.6985,-1.4842],[3.5235,-1.4842],[3.936,-0.7697],[3.5235,-0.0553],[0.9761,1.3266],[0.1914,1.0717],[-0.523,1.4842],[-1.2375,1.0717],[-1.2375,0.2467],[-1.952,-0.1658],[-2.6664,0.2467],[-2.6664,1.0717],[-3.4511,1.3266],[-3.9...
[[17,16,1],[15,16,1],[14,15,1],[13,14,2],[12,13,1],[11,12,2],[22,11,1],[21,22,2],[14,21,1],[22,1,1],[1,2,1],[2,10,2],[10,11,1],[2,3,1],[3,4,1],[17,18,1],[18,19,1],[19,20,1],[20,16,1],[4,5,2],[5,6,1],[6,7,2],[7,8,1],[8,9,2],[9,4,1],[1,0,1]]
[1*]C(=C)C[W]C
[1*]C(=C)[Z][W][B2]
[[-0.825,0.6187],[-0.825,-0.2062],[-1.5395,-0.6187],[-0.1105,-0.6187],[0.7145,-0.6187],[1.5395,-0.6187]]
[[2,1,2],[1,3,1],[1,0,1],[3,4,1],[4,5,1]]
[14*]C1([15*])C2CC(C3C4/C=C\C(C4)C32)C1([16*])[17*]
[14*]C1([15*])C2CC(C3C4/C=C\C(C4)C32)C1([16*])[17*]
[[1.2908,1.127],[0.8783,0.4125],[1.9795,1.057],[0.1639,0.825],[0.3865,0.0059],[0.1639,-0.825],[-0.5506,-0.4125],[-1.2651,-0.825],[-1.9795,-0.4125],[-1.9795,0.4125],[-1.2651,0.825],[-1.0424,0.0059],[-0.5506,0.4125],[0.8783,-0.4125],[1.9795,-1.057],[1.2908,-1.127]]
[[8,7,1],[7,6,1],[12,10,1],[10,9,1],[9,8,2],[7,11,1],[11,10,1],[6,5,1],[5,13,1],[13,1,1],[1,3,1],[3,12,1],[12,6,1],[5,4,1],[4,3,1],[1,2,1],[13,15,1],[1,0,1],[13,14,1]]
CCOC(=O)C(C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)NCCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC
CCOC(=O)C(C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)NCCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC
[[-6.2568,0.1103],[-5.8443,-0.6042],[-5.0194,-0.6042],[-4.6122,-0.1309],[-4.6122,0.5136],[-4.054,-0.4532],[-3.4958,-0.1309],[-3.4958,0.5136],[-2.9376,-0.4532],[-3.4725,0.8515],[-2.758,1.264],[-2.0435,0.8515],[-1.3291,1.264],[-0.6146,0.8515],[0.0999,1.264],[-0.731,-0.0302],[-0.731,0.6143],[-1.2892,0.9366],[-0.1729,0.936...
[[41,39,1],[39,18,1],[18,16,1],[16,15,1],[16,17,2],[39,40,2],[8,6,1],[6,5,1],[6,7,2],[5,3,1],[3,4,2],[5,62,1],[62,63,2],[25,26,1],[26,28,1],[26,27,2],[28,34,1],[34,35,2],[28,29,1],[29,30,2],[48,49,1],[49,51,1],[49,50,2],[51,52,1],[52,53,2],[51,57,1],[57,58,2],[52,54,1],[54,55,1],[56,55,1],[18,19,1],[25,24,1],[19,20,1],...