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991
CCC1=C(C)N(CN=NC[SiH2]OC)C(C)=C1.CCC1=C(C)SC(C)=C1CN=NC[SiH2]OC
[X][(CH2)q]C1=C(C)N([(CH2)s]N=N[(CH2)t][SiH2]O[pE3-p])C(C)=C1.[X][(CH2)q]C1=C(C)SC(C)=C1[(CH2)s]N=N[(CH2)t][SiH2]O[pE3-p]
[[-5.0556,2.309],[-3.4976,2.309],[-2.7477,2.309],[-2.0344,2.5408],[-1.6595,3.1902],[-1.5936,1.9341],[-0.8437,1.9341],[0.5953,1.9341],[1.3452,1.9341],[1.978,1.9341],[3.4169,1.9341],[4.3056,1.9341],[5.0556,1.9341],[-2.0344,1.3274],[-1.6595,0.6779],[-2.7477,1.5591],[-5.0742,-1.9981],[-3.4648,-1.9981],[-2.6901,-1.9981],[-2...
[[18,24,1],[24,22,2],[22,21,1],[21,19,1],[19,18,2],[24,25,1],[18,17,1],[17,16,1],[25,26,1],[28,29,1],[19,20,1],[22,23,1],[29,30,1],[30,31,1],[26,27,2],[27,28,1],[2,15,1],[15,13,2],[13,5,1],[5,3,1],[3,2,2],[2,1,1],[5,6,1],[1,0,1],[6,7,1],[9,10,1],[3,4,1],[13,14,1],[10,11,1],[11,12,1],[7,8,2],[8,9,1]]
CC1=C(F)C(S(=O)(=O)Cl)=CC([N+](=O)[O-])=C1.CC1=C(F)C(S(N)(=O)=O)=CC(N)=C1.CC1=C(F)C(S(N)(=O)=O)=CC([N+](=O)[O-])=C1.CC1=C(F)C=CC([N+](=O)[O-])=C1.O=S(=O)(O)Cl
CC1=C(F)C(S(=O)(=O)Cl)=CC([N+](=O)[O-])=C1.CC1=C(F)C(S(N)(=O)=O)=CC(N)=C1.CC1=C(F)C(S(N)(=O)=O)=CC([N+](=O)[O-])=C1.CC1=C(F)C=CC([N+](=O)[O-])=C1.O=S(=O)(O)Cl
[[-1.8592,4.3605],[-1.8592,3.5355],[-1.1447,3.123],[-0.4302,3.5355],[-1.1447,2.298],[-0.4302,1.8855],[-0.0177,1.171],[-0.8427,1.171],[0.2843,2.298],[-1.8592,1.8855],[-2.5736,2.298],[-3.2881,1.473],[-3.2881,2.298],[-2.5736,1.0605],[-2.5736,3.123],[2.8654,-5.2496],[2.8654,-6.0746],[3.5799,-6.4871],[4.2943,-6.0746],[3.579...
[[42,38,2],[38,37,1],[37,32,2],[32,30,1],[30,29,2],[29,42,1],[30,31,1],[32,33,1],[33,35,2],[33,36,2],[33,34,1],[29,28,1],[38,39,1],[39,40,2],[39,41,1],[14,10,2],[10,9,1],[9,4,2],[4,2,1],[2,1,2],[1,14,1],[2,3,1],[4,5,1],[5,6,2],[5,7,2],[5,8,1],[1,0,1],[10,11,1],[11,12,2],[11,13,1],[53,49,2],[49,48,1],[48,47,2],[47,45,1]...
*C(=O)N(*)O.*C(=O)N(*)OCOC.*NO.CC.[Li]O
*C(=O)N(*)O.*C(=O)N(*)OCO[R].*NO.[R][COCl/TEA].[Li]O
[[10.0376,-0.6103],[8.5352,-0.6103],[7.784,-1.9108],[7.0329,-0.6103],[5.5305,-0.6103],[7.784,0.6901],[-1.1502,1.3005],[-2.6526,1.3005],[-3.4038,2.6009],[-3.4038,0.0],[-4.9061,0.0],[-2.6526,-1.3005],[-1.1502,-1.3005],[-0.3991,-2.6009],[2.1221,-2.6009],[-8.3427,1.4789],[-6.8404,1.4789],[-6.0892,0.1784],[-4.1878,1.4554],[...
[[15,16,1],[16,17,1],[18,19,1],[11,12,1],[13,14,1],[11,9,1],[9,10,1],[9,7,1],[7,6,1],[7,8,2],[12,13,1],[20,21,1],[4,3,1],[3,1,1],[3,5,1],[1,0,1],[1,2,2]]
*C1=C([H])N=C(N([H])C([1*])([H])C2=C([3*])C([3*])=C([3*])C([3*])=C2[3*])N1[7*]
*C1=C([H])N=C(N([H])C([1*])([H])C2=C([3*])C([3*])=C([3*])C([0])=C2[3*])N1[7*]
[[-3.467,0.825],[-2.7525,0.4125],[-2.7525,-0.4125],[-3.467,-0.825],[-1.9679,-0.6674],[-1.483,0.0],[-0.658,0.0],[-0.658,0.825],[0.167,0.0],[0.167,0.825],[0.167,-0.825],[0.992,0.0],[1.4045,0.7145],[0.992,1.4289],[2.2295,0.7145],[2.642,1.4289],[2.642,0.0],[3.467,0.0],[2.2295,-0.7145],[2.642,-1.4289],[1.4045,-0.7145],[0.99...
[[1,2,2],[2,4,1],[4,5,2],[5,22,1],[22,1,1],[5,6,1],[6,8,1],[8,11,1],[11,20,1],[20,18,2],[18,16,1],[16,14,2],[14,12,1],[12,11,2],[16,17,1],[8,9,1],[8,10,1],[6,7,1],[22,23,1],[1,0,1],[2,3,1],[12,13,1],[14,15,1],[20,21,1],[18,19,1]]
C=C1C(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
[O.]=C1C(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
[[2.22,0.4678],[1.5055,0.0553],[1.5055,-0.7697],[2.22,-1.1822],[0.791,-1.1822],[0.0766,-0.7697],[-0.6379,-1.1822],[-1.3524,-0.7697],[-2.0668,-1.1822],[-0.6379,-0.3572],[-1.5055,0.0553],[-2.22,0.4678],[-0.8319,0.5315],[-1.5055,0.8803],[0.0766,0.0553],[0.791,0.4678],[1.2035,1.1822],[0.3785,1.1822]]
[[14,5,1],[5,4,1],[4,2,2],[2,1,1],[1,15,1],[15,14,1],[15,16,1],[15,17,1],[2,3,1],[1,0,2],[5,6,5],[6,7,1],[7,8,1],[7,9,1],[7,10,1],[10,11,1],[10,12,1],[10,13,1]]
CC1=CC=C(C(=O)Cl)C=C1.CCC.CCN(CC)C1=CC(C)=C(N=C=O)C=C1.[H]N(O)C(=O)C1=CC=C(C)C=C1.[H]N(OC(=O)N([H])C1=C(C)C=C(N(CC)CC)C=C1)C(=O)C1=CC=C(C)C=C1
CC1=CC=C(C(=O)Cl)C=C1.CCC.CCN(CC)C1=CC(C)=C(N=C=O)C=C1.[H]N(O)C(=O)C1=CC=C(C)C=C1.[H]N(OC(=O)N([H])C1=C(C)C=C(N(CC)CC)C=C1)C(=O)C1=CC=C(C)C=C1
[[-11.1221,3.7324],[-9.8216,4.4836],[-8.5211,3.7324],[-7.2254,4.4836],[-7.2254,5.9812],[-5.9249,6.7324],[-5.9249,8.2347],[-4.6244,5.9812],[-8.5211,6.7324],[-9.8216,5.9812],[5.8592,2.4413],[5.108,1.1408],[5.8592,-0.1596],[9.8779,-7.4836],[8.5728,-8.2347],[7.277,-7.4836],[5.9765,-8.2347],[4.6761,-7.4836],[7.277,-5.9812],...
[[1,2,2],[2,3,1],[3,4,2],[4,8,1],[8,9,2],[1,9,1],[1,0,1],[4,5,1],[5,7,1],[5,6,2],[36,35,2],[35,34,1],[34,33,2],[33,39,1],[39,38,2],[36,38,1],[36,37,1],[33,31,1],[31,29,1],[31,32,2],[29,30,1],[29,28,1],[10,11,1],[11,12,1],[19,18,2],[18,27,1],[27,26,2],[26,22,1],[22,20,2],[19,20,1],[20,21,1],[22,23,1],[18,15,1],[15,16,1]...
CC1=C(C)C(=O)C(O)C1
CC1=C(C)C(=O)C(O)C1
[[-1.3819,0.5071],[-0.6674,0.0946],[-0.0,0.5795],[-0.0,1.4045],[0.6674,0.0946],[1.3819,0.5071],[0.4125,-0.69],[0.825,-1.4045],[-0.4125,-0.69]]
[[8,6,1],[6,4,1],[4,2,1],[2,1,2],[1,8,1],[2,3,1],[1,0,1],[4,5,2],[6,7,1]]
C#CCCC(C)C.CC(C)CC(F)F.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CCC(F)(F)F.CC(C)CCC(F)F.CCCC(C)C.CCCCC(C)C
C#CCCC(C)C.CC(C)CC(F)F.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CCC(F)(F)F.CC(C)CCC(F)F.CCCC(C)C.CCCCC(C)C
[[-3.0094,2.5007],[-3.0094,3.3257],[-3.0094,4.1507],[-2.2949,4.5632],[-2.2949,5.3882],[-1.4699,5.3882],[-3.1199,5.3882],[1.3708,-3.4257],[0.5458,-3.4257],[-0.2792,-3.4257],[0.5458,-4.2507],[-0.1687,-4.6632],[-0.8831,-4.2507],[-0.1687,-5.4882],[-0.2587,5.3722],[0.5663,5.3722],[1.3913,5.3722],[0.5663,4.5472],[-0.1482,4.1...
[[11,12,1],[10,11,1],[10,8,1],[8,7,1],[8,9,1],[11,13,1],[49,48,1],[48,47,1],[47,46,1],[49,50,1],[49,51,1],[56,55,1],[55,54,1],[54,53,1],[53,52,1],[56,57,1],[56,58,1],[30,32,1],[32,33,1],[33,34,1],[34,35,1],[30,29,1],[30,31,1],[34,36,1],[34,37,1],[39,41,1],[41,42,1],[42,43,1],[43,44,1],[39,38,1],[39,40,1],[43,45,1],[4,3...
[H]OC1=C(CC2=C3C=CC=CC3=CC=C2)C=C(C[C@]2(C(=O)OCC)C[C@@H]2C(=O)NO)C=C1
[H]OC1=C(CC2=C3C=CC=CC3=CC=C2)C=C(C[C@]2(C(=O)OCC)C[C@@H]2C(=O)NO)C=C1
[[-1.1099,-2.7602],[-0.3954,-2.3477],[-0.3954,-1.5227],[0.319,-1.1102],[1.0335,-1.5227],[1.748,-1.1102],[2.4625,-1.5227],[2.4625,-2.3477],[3.1769,-2.7602],[3.8914,-2.3477],[3.8914,-1.5227],[3.1769,-1.1102],[3.1769,-0.2852],[2.4625,0.1273],[1.748,-0.2852],[0.319,-0.2852],[-0.3954,0.1273],[-0.4,0.9188],[-1.1144,1.3313],[...
[[16,30,1],[30,31,2],[31,2,1],[2,3,2],[3,15,1],[15,16,2],[2,1,1],[16,17,1],[18,17,6],[19,18,1],[21,19,1],[19,20,2],[21,22,1],[18,25,1],[25,24,1],[24,18,1],[25,26,6],[28,26,1],[28,29,1],[26,27,2],[22,23,1],[1,0,1],[3,4,1],[4,5,1],[5,6,2],[6,11,1],[11,12,2],[12,13,1],[13,14,2],[14,5,1],[6,7,1],[7,8,2],[8,9,1],[9,10,2],[1...
CNC(=O)C(C(=O)O)(C(=O)O)C(=O)N[Y]NC(=O)C(C(=O)O)(C(=O)O)C(=O)N[Y]C
CNC(=O)[X1](C(=O)O)(C(=O)O)C(=O)N[Y]NC(=O)[X2](C(=O)O)(C(=O)O)C(=O)N[Y]C
[[-4.9126,0.7145],[-3.9407,0.7145],[-3.1157,0.7145],[-3.1157,1.5395],[-2.7032,0.0],[-3.1157,-0.7145],[-3.1157,-1.5395],[-3.9407,-0.7145],[-2.2907,-0.7145],[-2.2907,-1.5395],[-1.4657,-0.7145],[-2.2907,0.7145],[-2.2907,1.5395],[-1.4657,0.7145],[-0.6407,0.7145],[0.7876,0.7145],[1.6126,0.7145],[1.6126,1.5395],[2.0251,0.0],...
[[0,1,1],[1,2,1],[2,4,1],[2,3,2],[4,5,1],[5,7,1],[5,6,2],[4,11,1],[4,8,1],[11,13,1],[11,12,2],[8,10,1],[8,9,2],[13,14,1],[14,15,1],[15,16,1],[16,18,1],[16,17,2],[18,19,1],[19,21,1],[19,20,2],[18,25,1],[18,22,1],[25,27,1],[25,26,2],[22,24,1],[22,23,2],[27,28,1],[28,29,1]]
CC(=O)NC1=CC(N2N=NN=C2S)=CC=C1.SC1=NN=NN1C1=CC=CC=C1
CC(=O)NC1=CC(N2N=NN=C2S)=CC=C1.SC1=NN=NN1C1=CC=CC=C1
[[-0.0648,-1.8723],[0.6496,-1.4598],[0.6496,-0.6348],[1.3641,-1.8723],[2.0786,-1.4598],[2.0786,-0.6348],[2.793,-0.2223],[2.793,0.6027],[2.1256,1.0877],[2.3805,1.8723],[3.2055,1.8723],[3.4605,1.0877],[4.1749,0.6752],[3.5075,-0.6348],[3.5075,-1.4598],[2.793,-1.8723],[-2.0786,0.6752],[-2.793,1.0877],[-3.048,1.8723],[-3.87...
[[5,4,2],[4,15,1],[15,14,2],[14,13,1],[13,6,2],[6,5,1],[6,7,1],[7,11,1],[11,10,2],[10,9,1],[9,8,2],[8,7,1],[11,12,1],[4,3,1],[3,1,1],[1,0,1],[1,2,2],[27,26,2],[26,25,1],[25,24,2],[24,23,1],[23,22,2],[22,27,1],[22,21,1],[21,17,1],[17,18,2],[18,19,1],[19,20,2],[20,21,1],[17,16,1]]
CC[C@H](C)[C@H](NC(=O)C1CCCCN1C(C)C)C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C
CC[C@H](C)[C@H](NC(=O)C1CCCCN1C(C)C)C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C
[[-1.4289,1.8563],[-1.4289,1.0313],[-0.7145,0.6187],[0.0,1.0313],[-0.7145,-0.2062],[-1.4289,-0.6187],[-2.1434,-0.2062],[-2.1434,0.6187],[-2.8579,-0.6187],[-2.8579,-1.4437],[-3.5724,-1.8562],[-4.2868,-1.4437],[-4.2868,-0.6187],[-3.5724,-0.2062],[-3.5724,0.6188],[-4.2868,1.0313],[-2.8579,1.0313],[-0.0,-0.6187],[-0.0,-1.4...
[[6,8,5],[5,6,1],[4,5,1],[17,4,1],[19,17,1],[6,7,2],[4,2,5],[17,18,2],[19,21,1],[21,22,1],[21,28,6],[28,29,1],[28,30,1],[22,23,2],[23,24,1],[23,25,1],[25,27,1],[25,26,2],[8,13,1],[13,12,1],[12,11,1],[11,10,1],[10,9,1],[9,8,1],[13,14,1],[14,15,1],[14,16,1],[2,3,6],[2,1,1],[1,0,1],[19,20,1]]
C*C1=CC(C)=C(C)C=C1.CC.[V]I
[Ar]*C1=CC([R])=C([R])C=C1.C[R4].[V]I
[[4.6573,-1.3803],[3.3568,-2.1315],[2.0563,-1.3803],[0.7606,-2.1315],[-0.5399,-1.3803],[-1.8404,-2.1315],[-0.5399,0.1221],[-1.8404,0.8732],[0.7606,0.8732],[2.0563,0.1221],[1.1362,0.0188],[1.892,1.3192],[-3.1549,2.1315],[-4.6573,2.1315]]
[[4,6,2],[4,3,1],[3,2,2],[2,9,1],[9,8,2],[6,8,1],[2,1,1],[1,0,1],[6,7,1],[4,5,1],[10,11,1],[13,12,1]]
Cl.N=C(N)N.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)N=C(N)N)=C1.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)OC)=C1
Cl.N=C(N)N.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)N=C(N)N)=C1.[6*]C1=C([7*])C([8*])=C([9*])C2=C1CS(=O)(=O)C1=C2C=C(C)C(C(=O)OC)=C1
[[3.2198,4.1645],[2.8948,5.402],[2.1803,4.9895],[1.4659,5.402],[2.1803,4.1645],[5.3521,-6.9866],[4.5271,-6.9866],[4.1146,-7.7011],[4.5271,-8.4155],[3.2896,-7.7011],[2.8771,-8.4155],[2.8771,-6.9866],[2.0521,-6.9866],[3.2896,-6.2721],[4.1146,-6.2721],[4.5271,-5.5576],[4.1146,-4.8432],[4.5271,-4.1287],[4.829,-5.2557],[3.2...
[[27,28,2],[27,25,1],[25,26,2],[25,24,1],[28,29,1],[28,30,1],[24,22,1],[22,21,2],[21,20,1],[20,19,2],[19,31,1],[31,24,2],[20,13,1],[13,14,2],[14,15,1],[15,16,1],[16,19,1],[13,11,1],[11,9,2],[9,7,1],[7,6,2],[6,14,1],[11,12,1],[6,5,1],[9,10,1],[7,8,1],[16,17,2],[16,18,2],[22,23,1],[2,3,1],[1,2,2],[2,4,1],[56,51,2],[51,49...
COC(=O)N[Y]NC(=O)OC
COC(=O)N[Y]NC(=O)OC
[[-3.5665,-0.4125],[-2.7415,-0.4125],[-1.9165,-0.4125],[-1.9165,0.4125],[-1.0915,-0.4125],[0.0,-0.4125],[0.825,-0.4125],[1.9165,-0.4125],[1.9165,0.4125],[2.7415,-0.4125],[3.5665,-0.4125]]
[[0,1,1],[1,2,1],[2,4,1],[4,5,1],[5,6,1],[6,7,1],[7,9,1],[9,10,1],[7,8,2],[2,3,2]]
NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)/C=C/C=C\1N2CC1=CC=CC=C1.NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)\C=C/C(F)=C\1N2CC1=CC=CC=C1
NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)/C=C/C=C\1N2CC1=CC=CC=C1.NC(=O)C1=CC=CC2=C1C1=C(OCC(=O)O)\C=C/C(F)=C\1N2CC1=CC=CC=C1
[[0.4635,6.6106],[0.051,5.8961],[-0.6635,6.3086],[0.4635,5.1817],[1.2705,5.0101],[1.5254,4.2255],[0.9734,3.6124],[0.1664,3.784],[-0.0885,4.5686],[-0.9135,4.5686],[-1.4656,5.1817],[-1.0531,5.8961],[-1.4656,6.6106],[-1.0531,7.3251],[-1.4656,8.0396],[-0.3386,6.9126],[-2.2725,5.0101],[-2.5275,4.2255],[-1.9754,3.6124],[-1.1...
[[42,41,2],[41,40,1],[40,39,1],[39,38,1],[41,43,1],[36,37,1],[37,48,1],[48,49,1],[49,35,1],[35,36,2],[37,38,2],[38,44,1],[44,45,2],[45,46,1],[46,48,2],[35,34,1],[34,33,2],[33,32,1],[32,31,2],[31,36,1],[31,29,1],[29,28,1],[29,30,2],[49,50,1],[50,51,1],[51,52,2],[52,53,1],[53,54,2],[54,55,1],[55,56,2],[56,51,1],[46,47,1]...
[2*]/C(CCC)=C(\[3*])[4*]
[2*]/C([(R1)m][(Y)n]C)=C(\[3*])[4*]
[[0.8444,0.4125],[0.8444,-0.4125],[-0.4679,-0.4125],[-1.6694,-0.4125],[-2.4944,-0.4125],[1.6694,-0.4125],[1.6694,0.4125],[2.4944,-0.4125]]
[[4,3,1],[3,2,1],[2,1,1],[1,5,2],[1,0,1],[5,6,1],[5,7,1]]
CC.[2*]C1=C(CC2=CC=CC=C2)OC2=CC=C[3H]=C2/C1=N/O
C[(ZRx)x].[2*]C1=C([(L)m]C2=CC=CC=C2)OC2=[A3][A2]=[A1][3H]=C2/C1=N/O
[[2.6046,-0.5712],[3.3194,-0.1592],[0.253,0.8729],[-0.4615,0.4604],[-0.4615,-0.3646],[0.253,-0.7771],[1.4222,-0.7771],[1.8347,-1.4916],[2.6597,-1.4916],[3.0717,-0.7774],[2.6597,-0.0627],[1.8347,-0.0627],[-1.176,-0.7771],[-1.8904,-0.3646],[-2.6049,-0.7771],[-3.3194,-0.3646],[-3.3194,0.4604],[-2.6049,0.8729],[-1.8904,0.4...
[[18,13,1],[13,12,1],[12,4,1],[4,3,2],[3,19,1],[19,18,1],[18,17,2],[17,16,1],[16,15,2],[15,14,1],[14,13,2],[3,2,1],[4,5,1],[5,6,1],[6,7,2],[7,8,1],[8,9,2],[9,10,1],[10,11,2],[11,6,1],[19,20,2],[20,21,1],[0,1,1]]
CC1=CC(F)=CC([C@@H](C)O)=C1.CFF
[CF3]C1=CC(F)=CC([C@@H](C)O)=C1.CFF
[[-1.7862,1.1688],[-1.0717,0.7563],[-1.0717,-0.0687],[-0.3572,-0.4812],[-0.151,-1.9938],[0.3572,-0.0687],[0.3572,0.7563],[1.0717,1.1688],[1.7862,0.7563],[1.0717,1.9938],[-0.3572,1.1688],[-0.8935,-0.3438],[-0.179,0.0687],[0.5355,-0.3438]]
[[1,2,2],[2,3,1],[3,5,2],[5,6,1],[6,10,2],[10,1,1],[6,7,1],[7,9,6],[1,0,1],[7,8,1],[3,4,1],[13,12,1],[12,11,1]]
[1*]N(C)C(C)=O.[1*]N(C)C(C)=O
[1*]N(C)C(C)=O.[1*]N(C)C(C)=O
[[-2.2726,-0.825],[-2.2726,0.0],[-3.0976,0.0],[-1.4476,0.0],[-0.6226,0.0],[-1.4476,0.825],[2.2726,-0.825],[2.2726,0.0],[3.0976,0.0],[1.4476,0.0],[0.6226,0.0],[1.4476,0.825]]
[[2,1,1],[1,3,1],[3,4,1],[3,5,2],[1,0,1],[10,9,1],[9,7,1],[7,8,1],[9,11,2],[7,6,1]]
O=C(O)c1ccc(C(=O)O)c(NOCc2ccc(Oc3ccc(O(O)Sc4ccc(Oc5ccc(C(=O)Nc6cc(C(=O)O)ccc6C(=O)O)cc5)cc4)cc3)cc2)c1
O=C(O)c1ccc(C(=O)O)c(NOCc2ccc(Oc3ccc(O(O)Sc4ccc(Oc5ccc(C(=O)Nc6cc(C(=O)O)ccc6C(=O)O)cc5)cc4)cc3)cc2)c1
[[10.4034,0.0003],[9.9909,-0.7141],[10.4034,-1.4286],[9.1668,-0.7161],[9.5793,-0.0016],[9.1668,0.7129],[8.3418,0.7129],[7.9284,0.7141],[8.3409,1.4286],[8.3409,-0.0003],[7.9293,-0.0016],[7.5298,0.6912],[7.1173,1.4057],[6.2923,1.4057],[5.508,-0.0016],[5.0955,-0.7161],[4.2705,-0.7161],[3.858,-0.0016],[2.9847,-0.0016],[2.1...
[[40,39,4],[39,38,4],[38,46,4],[46,45,4],[45,44,4],[44,40,4],[34,33,4],[33,32,4],[32,31,4],[31,51,4],[51,50,4],[50,34,4],[31,30,1],[17,16,4],[16,15,4],[15,14,4],[14,57,4],[57,56,4],[56,17,4],[10,58,4],[58,3,4],[3,4,4],[4,5,4],[5,6,4],[6,10,4],[30,29,1],[29,28,4],[28,27,4],[27,26,4],[26,53,4],[53,52,4],[52,29,4],[22,21,...
[H][C@]12CCNC[C@@]1([H])C1=CC(NC3=C(OC)N=CC(C)=C3)=CC3=C1N2CCOC3
[H][C@]12CCNC[C@@]1([H])C1=CC(NC3=C(OC)N=CC(C)=C3)=CC3=C1N2CCOC3
[[2.6127,-0.6163],[2.2002,0.0981],[3.0206,0.1844],[3.3562,0.9381],[2.8713,1.6055],[2.0508,1.5193],[1.7152,0.7656],[1.3027,1.4801],[0.9306,0.5106],[0.2162,0.9231],[-0.4983,0.5106],[-1.2128,0.9231],[-1.9273,0.5106],[-2.6417,0.9231],[-2.6417,1.7481],[-3.3562,2.1606],[-3.3562,0.5106],[-3.3562,-0.3144],[-2.6417,-0.7269],[-2...
[[10,21,2],[21,22,1],[22,23,2],[23,8,1],[8,9,2],[9,10,1],[23,24,1],[24,1,1],[1,6,1],[6,8,1],[10,11,1],[1,2,1],[2,3,1],[3,4,1],[4,5,1],[5,6,1],[6,7,5],[1,0,5],[11,12,1],[20,12,1],[12,13,2],[13,16,1],[16,17,2],[17,18,1],[18,20,2],[22,28,1],[28,27,1],[27,26,1],[26,25,1],[25,24,1],[13,14,1],[14,15,1],[18,19,1]]
CF.[1*]C.[2*]COC1=NN2C(=NN=C2C2=CC=CC=C2)C=C1
CF.[1*]C.[2*]COC1=NN2C(=NN=C2C2=CC=CC=C2)C=C1
[[1.5846,0.4625],[1.9976,1.1767],[1.9964,-0.9672],[1.5844,-0.2525],[0.5218,-1.6841],[-0.5534,-1.6841],[-1.3784,-1.6841],[-1.3784,-0.8591],[-0.6639,-0.4466],[-0.6639,0.3784],[-1.3784,0.7909],[-1.2069,1.5979],[-0.3864,1.6841],[-0.0508,0.9304],[0.6636,0.5179],[0.6636,-0.3071],[1.3781,-0.7196],[2.0929,-0.3076],[2.0923,0.51...
[[20,21,2],[21,7,1],[7,8,2],[8,9,1],[9,10,1],[10,20,1],[9,13,1],[13,12,2],[12,11,1],[11,10,2],[14,15,2],[15,16,1],[16,17,2],[17,18,1],[18,19,2],[19,14,1],[14,13,1],[7,6,1],[6,5,1],[5,4,1],[0,1,1],[3,2,1]]
*C1=C(C2=C(OC(=*)N([6*])[7*])C(*)=C([2H])OC2=O)C([W])=C(C)C([Y])=C1.*C1=C(C2=C(OC)C(*)=C([2H])OC2=O)C([W])=C(C)C([Y])=C1
*C1=C(C2=C(OC(=*)N([6*])[7*])C([0])=C([2H])OC2=O)C([W])=C([Z])C([Y])=C1.*C1=C(C2=C(O[E])C(*)=C([2H])OC2=O)C([W])=C([Z])C([Y])=C1
[[1.6466,-3.4204],[1.6466,-4.2454],[0.9321,-4.6579],[0.2963,-3.539],[-0.5287,-3.539],[-0.9412,-4.2534],[-1.7662,-4.2534],[-2.1787,-3.539],[-2.1787,-4.9679],[-1.7662,-5.6824],[-3.0037,-4.9679],[-0.9412,-2.8245],[-1.7662,-2.8245],[-0.5287,-2.11],[-0.9412,-1.3955],[0.2963,-2.11],[0.7088,-2.8245],[1.5338,-2.8245],[0.9321,-...
[[27,39,1],[39,41,2],[41,43,1],[43,45,2],[45,26,1],[26,27,2],[26,25,1],[43,44,1],[41,42,1],[39,40,1],[28,37,1],[37,36,1],[36,34,1],[29,28,2],[29,30,1],[27,28,1],[37,38,2],[34,35,1],[30,31,1],[29,32,1],[32,34,2],[32,33,1],[2,18,1],[18,20,2],[20,22,1],[22,24,2],[24,1,1],[1,2,2],[1,0,1],[22,23,1],[20,21,1],[18,19,1],[3,16...
CSCC1CC(=O)C(=O)N1
CSCC1CC(=O)C(=O)N1
[[1.712,-1.9302],[0.887,-1.9302],[0.4745,-1.2157],[-1.3634,1.1052],[-1.712,-0.5666],[0.78,0.6927],[1.4945,1.1052],[0.0656,1.1052],[0.0656,1.9302],[-0.6489,0.6927]]
[[4,5,1],[4,3,1],[5,6,2],[5,7,1],[7,8,2],[7,9,1],[9,3,1],[3,2,1],[2,1,1],[1,0,1]]
C.[2*]C(=O)NC(C[3*])C(O)C1=CC(CC)=CC=C1.[2*]C(=O)NC(C[3*])C(O)C1=CC=C(CC)C=C1
[or].[2*]C(=O)NC(C[3*])C(O)C1=CC([(CH2)n]C)=CC=C1.[2*]C(=O)NC(C[3*])C(O)C1=CC=C([(CH2)n]C)C=C1
[[3.6656,3.1685],[-2.2367,0.5021],[-2.6492,1.2166],[-3.4742,1.2166],[-2.2367,1.931],[-2.2367,2.756],[-2.9512,3.1685],[-3.6656,2.756],[-1.5222,3.1685],[-1.5222,3.9935],[-0.8078,2.756],[-0.0933,3.1685],[0.6212,2.756],[1.3357,3.1685],[2.8082,3.581],[0.6212,1.931],[-0.0933,1.5185],[-0.8078,1.931],[-1.9608,-3.9935],[-2.3733...
[[23,24,1],[22,23,1],[25,22,1],[27,25,1],[25,26,1],[22,21,1],[21,19,1],[19,18,1],[19,20,2],[27,34,1],[34,33,2],[33,30,1],[30,29,2],[29,28,1],[28,27,2],[30,31,1],[31,32,1],[6,7,1],[5,6,1],[8,5,1],[10,8,1],[8,9,1],[5,4,1],[4,2,1],[2,1,1],[2,3,2],[10,17,1],[17,16,2],[16,15,1],[15,12,2],[12,11,1],[11,10,2],[12,13,1],[13,14...
NC1=CC=C2C(=C1)NC(=O)C1=CC(N)=CC=C12
NC1=CC=C2C(=C1)NC(=O)C1=CC(N)=CC=C12
[[2.5006,-1.8563],[1.7862,-1.4437],[1.0717,-1.8563],[0.3572,-1.4437],[0.3572,-0.6187],[1.0717,-0.2062],[1.7862,-0.6187],[1.0717,0.6187],[0.3572,1.0313],[0.3572,1.8563],[-0.3572,0.6187],[-1.0717,1.0313],[-1.7862,0.6187],[-2.5006,1.0313],[-1.7862,-0.2062],[-1.0717,-0.6187],[-0.3572,-0.2062]]
[[3,4,2],[3,2,1],[2,1,2],[1,6,1],[6,5,2],[5,4,1],[5,7,1],[7,8,1],[8,10,1],[10,11,2],[8,9,2],[10,16,1],[16,4,1],[11,12,1],[12,14,2],[14,15,1],[15,16,2],[1,0,1],[12,13,1]]
CCN(CC)C1=CC2=OC3=C(C=CC(N(CC)CC)=C3)N=C2C=C1
CCN(CC)C1=CC2=OC3=C(C=CC(N(CC)CC)=C3)N=C2C=C1
[[3.3937,0.7219],[2.6793,1.1344],[2.322,0.5156],[2.322,0.5156],[1.6076,0.1031],[1.6076,0.1031],[0.8931,0.5156],[0.1786,0.1031],[-0.5359,0.5156],[-1.2503,0.1031],[-1.2503,-0.7219],[-1.9648,-1.1344],[-2.6793,-0.7219],[-2.6793,0.1031],[-3.3937,0.5156],[-3.0365,1.1344],[-2.322,0.7219],[-3.3937,0.5156],[-2.6793,0.1031],[-1....
[[10,9,2],[9,19,1],[19,13,2],[13,12,1],[12,11,2],[11,10,1],[10,20,1],[20,21,2],[21,7,1],[7,8,2],[8,9,1],[21,22,1],[22,23,2],[23,5,1],[5,6,2],[6,7,1],[13,14,1],[5,2,1],[2,1,1],[0,1,1],[14,15,1],[16,15,1],[2,3,1],[4,3,1],[14,17,1],[18,17,1]]
*C1=NSC(C)=C1C(=O)N*B
[0]C1=NSC([DE])=C1C(=O)N*B
[[0.1592,1.1811],[-0.5553,0.7686],[-1.2227,1.2535],[-1.8901,0.7686],[-1.6352,-0.016],[-2.0477,-0.7305],[-0.8102,-0.016],[-0.0957,-0.4285],[-0.0957,-1.2535],[0.6187,-0.016],[1.3332,-0.4285],[2.0477,-0.016]]
[[4,6,2],[6,1,1],[1,2,2],[2,3,1],[3,4,1],[4,5,1],[6,7,1],[7,9,1],[9,10,1],[10,11,1],[7,8,2],[1,0,1]]
C.CC.I[IH]I.[1*]C#N.[1*]C(C)=O.[V]I
[(IB-a)].[W1][Q].I[IH]I.[1*]C#N.[1*]C([Q])=O.[V]I
[[2.856,-0.6872],[-0.7485,-0.0535],[0.0765,-0.0535],[-2.5859,-0.7425],[-3.3004,-0.33],[-4.0149,-0.7425],[-4.0632,-0.0825],[-3.2382,-0.0825],[-2.4132,-0.0825],[2.4132,-0.0825],[3.2382,-0.0825],[4.0632,-0.0825],[3.2382,0.7425],[0.1073,-0.6872],[-0.7177,-0.6872]]
[[1,2,1],[14,13,1],[6,7,1],[7,8,3],[3,4,1],[4,5,1],[9,10,1],[10,11,1],[10,12,2]]
C[C@H](O)C1=C(F)C=CC=C1
C[C@H](O)C1=C(F)C=CC=C1
[[1.4289,0.0],[0.7145,0.4125],[0.7145,1.2375],[0.0,0.0],[-0.7145,0.4125],[-0.7145,1.2375],[-1.4289,0.0],[-1.4289,-0.825],[-0.7145,-1.2375],[0.0,-0.825]]
[[6,7,2],[7,8,1],[8,9,2],[9,3,1],[3,4,2],[4,6,1],[4,5,1],[3,1,1],[1,0,1],[1,2,5]]
CCOC(=O)C1=CC2=CC3=C4C(=C2N(CC)C1=O)CCCN4C(C)(C)CC3C
CCOC(=O)C1=CC2=CC3=C4C(=C2N(CC)C1=O)CCCN4C(C)(C)CC3C
[[3.4011,0.4678],[2.9886,-0.2467],[2.1636,-0.2467],[1.7511,0.4678],[0.9261,0.4678],[1.6002,0.6187],[0.8857,1.0313],[0.1712,0.6187],[-0.5433,1.0313],[-1.2577,0.6187],[-1.2577,-0.2062],[-0.5433,-0.6187],[0.1712,-0.2062],[0.8857,-0.6187],[1.2429,-0.825],[1.9574,-1.2375],[1.6002,-0.2062],[2.3146,-0.6187],[-0.5433,-1.4437],...
[[25,22,1],[22,21,1],[21,10,1],[10,9,2],[9,26,1],[26,25,1],[10,11,1],[11,12,2],[12,7,1],[7,8,2],[8,9,1],[12,13,1],[13,16,1],[16,5,1],[5,6,2],[6,7,1],[21,20,1],[20,19,1],[19,18,1],[18,11,1],[16,17,2],[26,27,1],[22,23,1],[22,24,1],[5,3,1],[3,4,2],[3,2,1],[2,1,1],[0,1,1],[13,14,1],[15,14,1]]
*CC(=O)NC1CN2C(=O)N(C3=CC(Cl)=CC(Cl)=C3)C(=O)C2(CC2=CC=C([N+]#[C-])C=C2)C1
*CC(=O)NC1CN2C(=O)N(C3=CC(Cl)=CC(Cl)=C3)C(=O)C2(CC2=CC=C([N+]#[C-])C=C2)C1
[[-3.7445,-0.7293],[-3.332,-1.4437],[-2.507,-1.4437],[-2.0945,-2.1582],[-2.0945,-0.7293],[-1.2695,-0.7293],[-0.7846,-1.3967],[0.0,-1.1418],[0.7846,-1.3967],[1.1971,-2.1112],[1.2695,-0.7293],[2.0945,-0.7293],[2.507,-1.4437],[3.332,-1.4437],[3.7445,-2.1582],[3.7445,-0.7293],[3.332,-0.0148],[3.7445,0.6997],[2.507,-0.0148]...
[[26,29,1],[29,30,2],[30,23,1],[23,24,2],[24,25,1],[25,26,2],[23,22,1],[22,21,1],[21,7,1],[7,8,1],[8,10,1],[10,19,1],[19,21,1],[21,31,1],[31,5,1],[5,6,1],[6,7,1],[5,4,1],[10,11,1],[11,12,2],[12,13,1],[13,15,2],[15,16,1],[16,18,2],[18,11,1],[13,14,1],[16,17,1],[19,20,2],[8,9,2],[4,2,1],[2,3,2],[2,1,1],[1,0,1],[26,27,1],...
C.C.C.C.[50*]N1C(=O)C2(CC(C)(C)N([H])(O)C(C)(C)C2)OC1([51*])[52*].[53*]C1([54*])COC([55*])([56*])N1([H])O.[53*]C1([54*])COC([55*])([56*])N1C.[57*]C1([58*])C(=O)NC([59*])([60*])N1([H])O.[57*]C1([58*])C(=O)NC([59*])([60*])N1C.[61*]C1([62*])C([65*])=N(C)C([63*])([64*])N1([H])O.[61*]C1([62*])C([65*])=N(C)C([63*])([64*])N1C
[[X]j-].[[X]j-].[[X]j-].[[X]j-].[50*]N1C(=O)C2(CC(C)([CH2R])N([H])(O)C(C)([CH2R])C2)OC1([51*])[52*].[53*]C1([54*])COC([55*])([56*])N1([H])O.[53*]C1([54*])COC([55*])([56*])N1[E].[57*]C1([58*])C(=O)NC([59*])([60*])N1([H])O.[57*]C1([58*])C(=O)NC([59*])([60*])N1[E].[61*]C1([62*])C([65*])=N([M])C([63*])([64*])N1([H])O.[61*]...
[[0.7649,-4.429],[0.7649,-14.806],[0.6828,5.471],[4.1663,14.6086],[2.3874,13.8942],[0.2475,13.8942],[-0.5775,13.8942],[-0.5775,13.0692],[-0.99,14.6086],[-1.4025,13.8942],[-2.2275,13.8942],[-2.64,13.1797],[-1.815,13.1797],[-2.64,14.6086],[-3.465,14.6086],[-3.0525,13.8942],[-2.2275,15.3231],[-2.64,16.0376],[-1.815,16.037...
[[39,38,1],[38,36,1],[36,43,1],[43,40,1],[40,39,1],[36,35,1],[36,37,1],[40,42,1],[40,41,1],[43,44,1],[62,60,1],[60,58,1],[58,66,1],[66,63,1],[63,62,1],[58,57,1],[58,59,1],[63,65,1],[63,64,1],[66,67,1],[60,61,2],[86,84,2],[84,82,1],[82,91,1],[91,88,1],[88,86,1],[82,81,1],[82,83,1],[88,90,1],[88,89,1],[91,92,1],[84,85,1]...
O=C(O)C=CC(=O)NCCCNC(=O)C=CC(=O)O.O=C1C=CC(=O)N1CCCN1C(=O)C=CC1=O
O=C(O)C=CC(=O)N[(CH2CH2O)n-1]CCNC(=O)C=CC(=O)O.O=C1C=CC(=O)N1[(CH2CH2O)n-1]CCN1C(=O)C=CC1=O
[[-5.7928,2.9012],[-6.2053,2.1867],[-5.7928,1.4723],[-5.7928,2.1867],[-4.7163,2.1867],[-3.6398,2.1867],[-3.6398,3.0117],[-2.8148,2.1867],[-1.7232,2.1867],[0.7557,2.1867],[1.1682,1.4723],[2.9743,2.1867],[4.0658,2.1867],[4.0658,3.0117],[4.8908,2.1867],[5.9673,2.1867],[7.0438,2.1867],[7.4563,2.9012],[7.4563,1.4723],[-6.21...
[[3,4,2],[4,5,1],[5,7,1],[7,8,1],[5,6,2],[11,12,1],[12,14,1],[14,15,2],[12,13,2],[3,1,1],[1,0,2],[1,2,1],[15,16,1],[16,17,2],[16,18,1],[8,9,1],[11,10,1],[9,10,1],[22,23,1],[23,25,1],[25,20,1],[20,21,1],[21,22,2],[20,19,2],[23,24,2],[25,26,1],[29,34,1],[34,33,1],[33,32,2],[32,30,1],[30,29,1],[30,31,2],[34,35,2],[26,27,1...
CCN(C)S(=O)(=O)OC1=CC=C2C(=O)C(C3=CC=CC=C3)=COC2=C1
CCN(C)S(=O)(=O)OC1=CC=C2C(=O)C(C3=CC=CC=C3)=COC2=C1
[[-4.3016,-0.3168],[-3.4766,-0.3168],[-3.0641,-1.0313],[-3.4766,-1.7457],[-2.2391,-1.0313],[-2.2391,-0.2062],[-2.2391,-1.8563],[-1.4141,-1.0313],[-0.6997,-0.6187],[-0.6997,0.2062],[0.0148,0.6187],[0.7293,0.2062],[1.4437,0.6187],[1.4437,1.4437],[2.1582,0.2062],[2.8727,0.6188],[3.5872,0.2063],[4.3016,0.6188],[4.3016,1.44...
[[2,4,1],[4,7,1],[4,5,2],[4,6,2],[2,3,1],[2,1,1],[7,8,1],[8,24,1],[24,23,2],[23,11,1],[11,10,2],[10,9,1],[9,8,2],[23,22,1],[22,21,1],[21,14,2],[14,12,1],[12,11,1],[14,15,1],[15,16,2],[16,17,1],[17,18,2],[18,19,1],[19,20,2],[20,15,1],[1,0,1],[12,13,2]]
[2*]N1C(=O)C2=C3C4=C(C(=O)N([1*]N5C(=O)C6=C([10*])C([11*])=C7C(=O)N([3*])C(=O)C8=C7C6=C(C5=O)C([6*])=C8[7*])C(=O)/C4=C([9*])/C([8*])=C\3C1=O)C([5*])=C2[4*]
[2*]N1C(=O)C2=C3C4=C(C(=O)N([1*]N5C(=O)C6=C([10*])C([11*])=C7C(=O)N([3*])C(=O)C8=C7C6=C(C5=O)C([6*])=C8[7*])C(=O)/C4=C([9*])/C([8*])=C\3C1=O)C([5*])=C2[4*]
[[-5.0871,-0.0],[-4.37,-0.0],[-4.0115,0.6211],[-4.37,1.2421],[-3.2943,0.6211],[-2.9358,-0.0],[-2.2186,-0.0],[-1.8601,0.6211],[-1.1429,0.6211],[-0.7844,1.2421],[-0.7844,-0.0],[-0.0672,-0.0],[0.7844,-0.0],[1.1429,-0.6211],[0.7844,-1.2421],[1.8601,-0.6211],[2.2186,-1.2421],[1.8601,-1.8632],[2.9358,-1.2421],[3.2943,-1.8632...
[[6,7,2],[7,47,1],[47,49,2],[49,4,1],[4,5,2],[5,6,1],[5,44,1],[44,42,2],[42,40,1],[40,39,2],[39,6,1],[39,37,1],[37,10,1],[10,8,1],[8,7,1],[4,2,1],[2,1,1],[1,45,1],[45,44,1],[2,3,2],[8,9,2],[37,38,2],[45,46,2],[49,50,1],[47,48,1],[40,41,1],[42,43,1],[28,27,2],[27,35,1],[35,33,2],[33,30,1],[30,29,2],[29,28,1],[29,15,1],[...
CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C1CC3=C(C=CC=C3)C1)C2(C)C)C(=O)C(=O)NC
CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C1CC3=C(C=CC=C3)C1)C2(C)C)C(=O)C(=O)NC
[[3.9007,-1.1351],[3.1863,-0.7226],[3.1863,0.1024],[2.4718,0.5149],[2.4754,1.3399],[1.7627,1.7555],[1.0464,1.3461],[1.0429,0.5211],[0.3337,1.7617],[0.0788,2.5463],[-0.7462,2.5463],[-1.0011,1.7617],[-0.3337,1.2767],[-0.3337,0.4517],[0.3808,0.0392],[-1.0482,0.0392],[-1.0482,-0.7858],[-1.7626,-1.1983],[-2.4771,-0.7858],[-...
[[9,10,1],[10,11,1],[11,12,1],[12,8,1],[8,9,1],[9,41,6],[10,41,6],[41,42,1],[41,43,1],[8,6,5],[6,5,1],[6,7,2],[5,4,1],[4,44,1],[44,46,1],[44,45,2],[46,48,1],[46,47,2],[4,3,1],[12,13,1],[13,14,2],[13,15,1],[15,32,5],[15,16,1],[16,17,1],[17,19,1],[17,18,2],[19,20,1],[20,21,1],[21,22,1],[22,24,1],[24,25,1],[22,23,1],[24,2...
CC(C)CBr.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1CC(C)C
CC(C)CBr.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1.CCC1CN2/C=C(/C3=C(Cl)C=C(Cl)C=C3)C3=C2C(=NC(C)=N3)N1CC(C)C
[[2.8577,2.5522],[2.1432,2.1397],[2.1432,1.3147],[1.4287,2.5522],[0.7142,2.1397],[-1.5276,7.3572],[-2.2421,6.9447],[-2.2421,6.1197],[-3.0267,5.5496],[-3.0267,4.7246],[-3.5116,4.0572],[-3.0267,3.3898],[-3.4392,2.6753],[-4.2642,2.6753],[-4.6767,3.3898],[-4.6767,1.9608],[-4.2642,1.2463],[-4.6767,0.5319],[-3.4392,1.2463],[...
[[44,43,2],[43,49,1],[49,47,2],[47,46,1],[46,45,2],[45,44,1],[44,32,1],[32,33,1],[33,34,2],[34,43,1],[47,48,1],[34,35,1],[35,36,2],[36,38,1],[38,39,2],[39,41,1],[41,42,2],[42,35,1],[36,37,1],[39,40,1],[45,50,1],[50,30,1],[30,29,1],[29,28,1],[50,51,1],[51,52,1],[52,53,1],[52,54,1],[32,31,1],[31,30,1],[21,20,2],[20,26,1]...
COC1=C(NC2=NC(CSCCS(=O)(=O)O[Na])=NC(SCCCS(=O)(=O)O[Na])=N2)C=CC(/N=N/C2=CC3=C(C=C2)C=C(SOOO[Na])C=C3S(=O)(=O)O[Na])=C1
COC1=C(NC2=NC(CSCCS(=O)(=O)O[Na])=NC(SCCCS(=O)(=O)O[Na])=N2)C=CC(/N=N/C2=CC3=C(C=C2)C=C(SOOO[Na])C=C3S(=O)(=O)O[Na])=C1
[[1.8037,1.2274],[1.0892,1.6399],[0.732,1.0211],[1.4465,0.6086],[2.1609,1.0211],[2.8754,0.6086],[2.8754,-0.2164],[3.5899,-0.6289],[3.5899,-1.4539],[4.3043,-1.8664],[5.0188,-1.4539],[5.7333,-1.8664],[6.4127,-1.3231],[7.1272,-1.7356],[6.8252,-0.6086],[5.6982,-0.9106],[4.9838,-1.3231],[4.3043,-0.2164],[4.3043,0.6086],[5.0...
[[36,37,2],[37,38,1],[38,39,2],[39,34,1],[34,35,2],[35,36,1],[36,48,1],[48,47,2],[47,41,1],[41,40,2],[40,37,1],[34,33,1],[33,32,2],[32,31,1],[31,30,1],[30,29,2],[29,3,1],[3,2,2],[2,54,1],[54,31,2],[3,4,1],[4,5,1],[5,6,2],[6,7,1],[7,17,2],[17,18,1],[18,28,2],[28,5,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[18,19,1],[19,20,1...
CC1=CC2=C(C=C1C)NC(/C1=C3\CCN(C(=O)CC(C)C)C\C3=N\N1)=N2
CC1=CC2=C(C=C1C)NC(/C1=C3\CCN(C(=O)CC(C)C)C\C3=N\N1)=N2
[[-4.0841,-1.2916],[-3.5008,-0.7083],[-2.6938,-0.8798],[-2.1417,-0.2667],[-2.3967,0.5179],[-3.2037,0.6895],[-3.7557,0.0764],[-4.5526,0.2899],[-1.7292,1.0029],[-1.0618,0.5179],[-0.3473,0.9304],[0.2658,0.3784],[0.2658,-0.4466],[0.9802,-0.8591],[1.6947,-0.4466],[2.4092,-0.8591],[2.4092,-1.6841],[3.1236,-0.4466],[3.8381,-0...
[[11,12,1],[12,13,1],[13,14,1],[14,21,1],[21,22,1],[22,11,1],[14,15,1],[15,17,1],[17,18,1],[18,19,1],[18,20,1],[15,16,2],[22,23,2],[23,24,1],[24,10,1],[10,11,2],[10,9,1],[3,25,1],[25,9,2],[9,8,1],[8,4,1],[4,3,2],[4,5,1],[5,6,2],[6,1,1],[1,2,2],[2,3,1],[6,7,1],[1,0,1]]
CC(C)C.[H]c1c([H])c([K])c([2H])c1C
C[M]([(L1)n])[(L2)m].[H]c1c([H])c([K])c([2H])c1[E]
[[-0.0003,0.1607],[-0.0009,-1.1283],[-0.0009,-1.9533],[-1.1794,-1.8019],[0.825,-0.8557],[0.4125,-0.1412],[0.6674,0.6434],[1.3819,1.0559],[-0.0,1.1283],[-0.0,1.9533],[-0.6674,0.6434],[-1.3819,1.0559],[-0.4125,-0.1406],[-0.825,-0.8557]]
[[12,5,4],[5,6,4],[6,8,4],[8,10,4],[10,12,4],[6,7,1],[10,11,1],[5,4,1],[12,13,1],[8,9,1],[0,1,1],[1,2,1],[1,3,1]]
CCCC[C@]1(CC)CS(=O)(=O)C2=C(C=C(N(C)C)C=C2)[C@@H](C2=CC=CC(C[N+]3=CC=CC=C3)=C2)[C@H]1O.[Cl-]
CCCC[C@]1(CC)CS(=O)(=O)C2=C(C=C(N(C)C)C=C2)[C@@H](C2=CC=CC(C[N+]3=CC=CC=C3)=C2)[C@H]1O.[Cl-]
[[3.6415,3.1468],[2.8446,3.3603],[2.2612,2.777],[1.4362,2.777],[1.0237,2.0625],[1.6071,1.4791],[2.404,1.6927],[0.6658,2.8058],[-0.1386,2.9894],[-0.853,3.4019],[-0.1386,3.8144],[-0.7836,2.475],[-0.7836,1.65],[-1.498,1.2375],[-2.2125,1.65],[-2.927,1.2375],[-3.6415,1.65],[-2.927,0.4125],[-2.2125,2.475],[-1.498,2.8875],[-0...
[[18,14,1],[14,13,2],[13,12,1],[12,11,2],[11,19,1],[19,18,2],[12,20,1],[20,34,1],[34,4,1],[4,7,1],[7,8,1],[8,11,1],[8,9,2],[8,10,2],[34,35,6],[20,21,6],[15,14,1],[15,16,1],[15,17,1],[4,3,5],[2,3,1],[1,2,1],[0,1,1],[4,5,6],[21,22,2],[22,23,1],[23,24,2],[24,25,1],[25,33,2],[33,21,1],[6,5,1],[25,26,1],[26,27,1],[27,28,2],...
C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(C/C=C/C(O)(C(F)(F)F)C(F)(F)F)CC1.C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(CC#CC(O)(C(F)(F)F)C(F)(F)F)CC1
C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(C/C=C/C(O)(C(F)(F)F)C(F)(F)F)CC1.C[C@]12CCC[C@H](O)C1CC[C@@H]2C1(CC#CC(O)(C(F)(F)F)C(F)(F)F)CC1
[[0.6026,-1.9345],[0.6026,-2.7595],[-0.1119,-2.347],[-0.8264,-2.7595],[-0.8264,-3.5845],[-0.1119,-3.997],[-0.1119,-4.822],[0.6026,-3.5845],[1.3872,-3.8394],[1.8721,-3.172],[1.3872,-2.5045],[1.3872,-1.6795],[2.1017,-1.267],[2.8161,-1.6795],[3.5306,-1.267],[4.2451,-1.6795],[4.9595,-2.092],[4.958,-1.265],[4.5455,-0.5506],...
[[3,4,1],[4,5,1],[5,7,1],[7,1,1],[1,2,1],[2,3,1],[7,8,1],[8,9,1],[9,10,1],[10,1,1],[1,0,5],[10,11,5],[12,11,1],[13,12,1],[11,25,1],[25,26,1],[26,11,1],[5,6,5],[14,15,1],[15,16,1],[13,14,2],[15,17,1],[17,18,1],[17,19,1],[17,20,1],[15,21,1],[21,22,1],[21,23,1],[21,24,1],[30,31,1],[31,32,1],[32,34,1],[34,28,1],[28,29,1],[...
CC=C[Ar](C)C.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
C[CR52)d]=[(CR51][Ar](C)[(Ar12)c].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
[[2.5138,-0.4125],[1.0093,-0.4125],[-0.2373,-0.4125],[-0.842,0.4234],[-2.0785,-0.4125],[-1.0623,0.4125],[-0.7354,-0.4234],[-1.5823,-0.4234],[0.1115,-0.4234],[-0.7354,-1.2703],[-1.5823,-1.2703],[0.1115,-1.2703],[-2.4291,-0.4234],[-2.5138,0.4234],[-2.4291,-1.2703],[-2.5138,1.2703]]
[[2,1,2],[1,0,1],[4,3,1],[2,3,1],[5,3,1]]
*********.**1*2*13*14*5**51*234.C.COP(=O)(OC)OCCCC1=CC=C(O[Si]#**2*3*24*25*6**62*345)C=C1.[CH2+][CH2-]
*********.**1*2*13*14*5**51*234.[Nu].COP(=O)(OC)OCC[X5]C1=CC=C(O[Si]#**2*3*24*25*6**62*345)C=C1.[CH2+][CH2-]
[[-6.2328,-2.0069],[-5.5183,-1.5944],[-4.8039,-2.0069],[-4.0894,-1.5944],[-3.3749,-2.0069],[-2.6605,-1.5944],[-1.946,-2.0069],[-1.2315,-1.5944],[-0.5171,-2.0069],[-1.5583,-0.6869],[-2.2728,-0.2744],[-2.6853,0.4401],[-3.0978,-0.2744],[-3.9228,-0.2744],[-4.7478,-0.2744],[-5.1603,0.4401],[-4.3353,0.4401],[-3.5103,0.4401],...
[[46,47,1],[33,32,1],[32,44,1],[44,45,2],[45,29,1],[29,30,2],[30,31,1],[31,32,2],[29,28,1],[28,27,1],[27,26,1],[26,25,1],[25,21,1],[21,22,2],[21,20,1],[20,19,1],[21,23,1],[23,24,1],[33,34,1],[0,1,1],[1,2,1],[2,3,1],[3,4,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[9,10,1],[10,11,1],[10,12,1],[11,12,1],[11,17,1],[12,17,1],[12,13...
C.CCS(=O)(=O)CCN(C(=O)CC1=CC(C(F)(F)F)=C(F)C=C1)[C@H](C)C1=NC(C2CC2)=C(C(O)C2CC2)N1C1=CC=C(C#N)C=C1
[Chiral].CCS(=O)(=O)CCN(C(=O)CC1=CC(C(F)(F)F)=C(F)C=C1)[C@H](C)C1=NC(C2CC2)=C(C(O)C2CC2)N1C1=CC=C(C#N)C=C1
[[4.8302,3.413],[0.4054,-4.1114],[-0.0071,-3.3969],[0.4054,-2.6825],[1.1198,-2.27],[1.1198,-3.095],[-0.0071,-1.968],[0.4054,-1.2535],[-0.0071,-0.5391],[-0.8321,-0.5391],[-1.2446,0.1754],[-1.2446,-1.2535],[-2.0415,-1.467],[-2.6249,-0.8837],[-3.4218,-1.0972],[-4.0052,-0.5138],[-4.8302,-0.5138],[-3.7916,0.283],[-3.2907,-0...
[[26,25,2],[25,37,1],[37,31,1],[31,27,2],[27,26,1],[27,28,1],[37,38,1],[38,39,2],[39,40,1],[40,41,2],[41,44,1],[44,45,2],[45,38,1],[41,42,1],[28,29,1],[29,30,1],[30,28,1],[25,23,1],[11,12,1],[12,13,2],[13,14,1],[14,19,2],[19,21,1],[21,22,2],[22,12,1],[19,20,1],[14,15,1],[31,32,1],[15,16,1],[15,17,1],[15,18,1],[11,9,1],...
CSSC[SH](C)OO
[X1]SS[Z][SH]([X1])OO
[[2.0625,-0.3094],[1.2375,-0.3094],[0.4125,-0.3094],[-0.4125,-0.3094],[-1.2375,-0.3094],[-2.0625,-0.3094],[-0.8803,0.3094],[-0.1658,-0.1031]]
[[5,4,1],[4,3,1],[3,2,1],[2,1,1],[1,0,1],[4,6,1],[6,7,1]]
O=C1COC2=C(Br)C=CC=C2N1.O=C1COC2=C(Br)C=CC=C2N1CC1=CC=CC=C1.[NaH]
O=C1COC2=C(Br)C=CC=C2N1.O=C1COC2=C(Br)C=CC=C2N1CC1=CC=CC=C1.[NaH]
[[-1.4473,-0.0],[-2.1617,0.4125],[-2.1617,1.2375],[-2.8762,1.65],[-3.5907,1.2375],[-4.3052,1.65],[-4.3052,2.475],[-5.0196,1.2375],[-5.0196,0.4125],[-4.3052,-0.0],[-3.5907,0.4125],[-2.8762,-0.0],[4.3052,-0.0],[3.5907,0.4125],[3.5907,1.2375],[2.8762,1.65],[2.1617,1.2375],[1.4473,1.65],[1.4473,2.475],[0.7328,1.2375],[0.73...
[[7,8,2],[8,9,1],[9,10,2],[10,4,1],[4,5,2],[5,7,1],[10,11,1],[11,1,1],[1,2,1],[2,3,1],[3,4,1],[5,6,1],[1,0,2],[19,20,2],[20,21,1],[21,22,2],[22,16,1],[16,17,2],[17,19,1],[22,23,1],[23,13,1],[13,14,1],[14,15,1],[15,16,1],[17,18,1],[13,12,2],[23,24,1],[24,25,1],[25,26,2],[26,27,1],[27,28,2],[28,29,1],[29,30,2],[30,25,1]]
CC(C)(C)OC(=O)N1CC[C@@](O)(C2=CC=C(Cl)C=C2)[C@H](O)C1.O[C@@H]1CN(CP)CC[C@@]1(O)C1=CC=C(Cl)C=C1.O[C@@H]1CNCC[C@@]1(O)C1=CC=C(Cl)C=C1
CC(C)(C)OC(=O)N1CC[C@@](O)(C2=CC=C(Cl)C=C2)[C@H](O)C1.O[C@@H]1CN(CP)CC[C@@]1(O)C1=CC=C(Cl)C=C1.O[C@@H]1CNCC[C@@]1(O)C1=CC=C(Cl)C=C1
[[-2.4018,0.848],[-3.1163,1.2605],[-3.1163,2.0855],[-2.4018,1.673],[-3.8308,0.848],[-4.5452,1.2605],[-5.2597,0.848],[-4.5452,2.0855],[-5.2597,2.498],[-5.2597,3.323],[-4.5452,3.7355],[-4.1327,4.45],[-4.5452,4.5605],[-3.8308,4.973],[-3.8308,5.798],[-4.5452,6.2105],[-4.5452,7.0355],[-5.2597,5.798],[-5.2597,4.973],[-3.8308...
[[37,38,2],[38,32,1],[32,33,2],[33,34,1],[34,35,2],[35,37,1],[35,36,1],[32,30,1],[30,29,1],[29,28,1],[28,25,1],[25,24,1],[24,23,1],[23,30,1],[30,31,6],[23,22,6],[25,26,1],[26,27,1],[52,53,2],[53,47,1],[47,48,2],[48,49,1],[49,50,2],[50,52,1],[50,51,1],[47,45,1],[45,44,1],[44,43,1],[43,42,1],[42,41,1],[41,40,1],[40,45,1]...
*.B.C.CC(C)=NOC1CCC(C2CCC(C3CCC(C[Y])CC3)CC2)CC1
*.B.[0].[Rc]C([Rd])=NOC1CCC(C2CCC(C3CCC([X][Y])CC3)CC2)CC1
[[3.0938,-0.0],[0.6381,-0.0],[-1.8176,-0.0],[-5.5688,0.7145],[-5.1563,-0.0],[-5.5687,-0.7145],[-4.3312,-0.0],[-3.5062,-0.0],[-2.6812,-0.0],[-2.2687,-0.7145],[-1.4437,-0.7145],[-1.0312,-0.0],[-0.2062,-0.0],[0.2063,-0.7145],[1.0313,-0.7145],[1.4438,-0.0],[2.2688,-0.0],[2.6813,-0.7145],[3.5063,-0.7145],[3.9188,-0.0],[4.74...
[[3,4,1],[4,5,1],[4,6,2],[6,7,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[11,26,1],[26,27,1],[27,8,1],[11,12,1],[12,13,1],[13,14,1],[14,15,1],[15,24,1],[24,25,1],[25,12,1],[15,16,1],[16,17,1],[17,18,1],[18,19,1],[19,22,1],[22,23,1],[23,16,1],[19,20,1],[20,21,1]]
[H][C@]12OC[C@@H](OC(=O)C3=C(SC)N=CC=C3)[C@@]1([H])OC[C@@H]2O[N+](=O)[O-]
[H][C@]12OC[C@@H](OC(=O)C3=C(SC)N=CC=C3)[C@@]1([H])OC[C@@H]2O[N+](=O)[O-]
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[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N([4*])C(=O)O[15*].[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N[4*]
[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N([4*])C(=O)O[15*].[1*]N1C(=O)C2=C([5*])C([6*])=C([7*])C([8*])=C2C=C1C([2*])N[4*]
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[[29,31,1],[31,33,2],[33,35,1],[35,37,2],[37,28,1],[28,29,2],[29,30,1],[31,32,1],[33,34,1],[35,36,1],[28,26,1],[26,25,1],[26,27,2],[37,38,1],[25,39,1],[39,38,2],[39,40,1],[40,41,1],[25,24,1],[40,42,1],[42,43,1],[5,7,1],[7,9,2],[9,11,1],[11,13,2],[13,4,1],[4,5,2],[5,6,1],[7,8,1],[9,10,1],[11,12,1],[4,2,1],[2,1,1],[2,3,2...
CCOC(CC1=CC=C(OC/C=C(\C)C#CC2=CC=C3C(=C2)C(=O)C2=C3C=CC(C#C/C(C)=C/COC3=CC=C(CC(OCC)C(=O)O)C=C3)=C2)C=C1)C(=O)O
CCOC(CC1=CC=C(OC/C=C(\C)C#CC2=CC=C3C(=C2)C(=O)C2=C3C=CC(C#C/C(C)=C/COC3=CC=C(CC(OCC)C(=O)O)C=C3)=C2)C=C1)C(=O)O
[[-9.2881,-4.3312],[-8.5737,-3.9187],[-8.5737,-3.0938],[-7.8592,-2.6812],[-7.8592,-1.8563],[-7.1447,-1.4437],[-7.1447,-0.6187],[-6.4302,-0.2062],[-5.7158,-0.6187],[-5.0013,-0.2062],[-5.0013,0.6187],[-4.2868,1.0313],[-4.2868,1.8563],[-5.0013,2.2687],[-3.5724,2.2687],[-2.8579,2.6812],[-2.1434,3.0938],[-2.1434,3.9187],[-1...
[[28,29,1],[16,15,1],[15,14,3],[29,30,3],[14,12,1],[30,31,1],[10,9,1],[34,35,1],[9,8,1],[35,36,1],[8,7,2],[7,6,1],[6,5,2],[5,52,1],[52,51,2],[51,8,1],[36,37,2],[37,38,1],[38,39,2],[39,48,1],[48,49,2],[49,36,1],[5,4,1],[4,3,1],[3,53,1],[53,54,2],[42,41,1],[41,40,1],[40,39,1],[3,2,1],[2,1,1],[55,53,1],[42,43,1],[47,45,1]...
COC(=O)C(C)=C(C)C
[R5]OC(=O)C([R3])=C([R2])[R1]
[[2.6338,-1.9484],[1.8826,-0.6479],[0.3803,-0.6479],[-0.3709,-1.9484],[-0.3756,0.6479],[0.3803,1.9484],[-1.8732,0.6479],[-2.6291,-0.6479],[-2.6291,1.9484]]
[[7,6,1],[6,4,2],[4,5,1],[6,8,1],[4,2,1],[2,3,2],[2,1,1],[1,0,1]]
C1=CC=C(C2=CC(C3=CC=CC=C3)=O[Na]O2)C=C1.CC(C)(C)C1=CC(C(C)(C)C)=O[Na]O1.CC(C)(C)C1=O[Na]OC(C(F)(F)C(F)(F)C(F)(F)F)=C1.CC1=CC(C)=O[Ca]O1.CC1=CC(C)=O[Cs]O1.CC1=CC(C)=O[K]O1.CC1=CC(C)=O[Li]O1.CC1=CC(C)=O[Na]O1
C1=CC=C(C2=CC(C3=CC=CC=C3)=O[Na]O2)C=C1.CC(C)(C)C1=CC(C(C)(C)C)=O[Na]O1.CC(C)(C)C1=O[Na]OC(C(F)(F)C(F)(F)C(F)(F)F)=C1.CC1=CC(C)=O[Ca]O1.CC1=CC(C)=O[Cs]O1.CC1=CC(C)=O[K]O1.CC1=CC(C)=O[Li]O1.CC1=CC(C)=O[Na]O1
[[1.0665,-4.2965],[0.2415,-4.2965],[-0.171,-3.582],[0.2415,-2.8675],[-0.171,-2.1531],[0.2415,-1.4386],[-0.171,-0.7241],[0.2415,-0.0097],[1.0665,-0.0097],[1.479,0.7048],[1.0665,1.4193],[0.2415,1.4193],[-0.171,0.7048],[-0.996,-0.7241],[-1.4085,-1.4386],[-0.996,-2.1531],[1.0665,-2.8675],[1.479,-3.582],[-0.3896,-8.7705],[0...
[[87,89,2],[89,90,6],[90,91,1],[91,85,1],[85,86,2],[86,87,1],[87,88,1],[85,84,1],[71,73,2],[73,74,6],[74,75,1],[75,69,1],[69,70,2],[70,71,1],[71,72,1],[69,68,1],[63,65,2],[65,66,6],[66,67,1],[67,61,1],[61,62,2],[62,63,1],[63,64,1],[61,60,1],[79,81,2],[81,82,6],[82,83,1],[83,77,1],[77,78,2],[78,79,1],[79,80,1],[77,76,1]...
C.C.CN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
[[].[]].CN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
[[-3.6526,2.4695],[4.8685,2.4695],[1.6854,-3.3662],[3.1878,-3.3662],[4.2488,-2.3052],[3.8592,-0.8545],[2.4084,-0.4648],[2.0235,0.9859],[0.5681,1.3756],[0.1831,2.8263],[-1.2676,3.216],[-2.5728,2.4648],[-2.0188,4.5164],[-1.2723,5.8169],[-2.0235,7.1174],[-0.5117,7.1221],[-1.2629,8.4225],[-3.5211,7.1174],[-4.2723,5.8216],[...
[[3,4,1],[23,24,1],[24,27,1],[27,28,1],[28,31,1],[31,22,1],[23,22,1],[24,25,1],[24,26,1],[28,29,1],[28,30,1],[13,14,1],[14,17,1],[17,18,1],[18,21,1],[14,15,1],[14,16,1],[18,19,1],[18,20,1],[3,22,1],[9,10,1],[10,12,1],[21,12,1],[13,12,1],[3,2,1],[10,11,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[8,9,1]]
CB*(C)CC(=O)[O-].[1*][N+]([2*])([3*])[4*]
CB*(C)[X]C(=O)[0].[1*][N+]([2*])([3*])[4*]
[[1.8272,1.6887],[0.5769,1.6887],[-0.8282,1.6887],[-1.8272,1.6887],[-0.8282,0.8637],[-0.8282,0.0387],[-0.1138,-0.3738],[-1.5427,-0.3738],[0.3706,-0.0387],[0.3706,-0.8637],[1.1956,-0.8637],[0.3706,-1.6887],[-0.4544,-0.8637]]
[[12,9,1],[9,10,1],[9,8,1],[9,11,1],[3,2,1],[2,1,1],[1,0,1],[2,4,1],[4,5,1],[5,6,2],[5,7,1]]
[H]N(c1ccc(N(N)C(=O)N(N)c2ccccc2C)cc1)C(C)(C)C(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)ON)O(=O)(=O)CCCC
[H]N(c1ccc(N(N)C(=O)N(N)c2ccccc2C)cc1)C(C)(C)C(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)ON)O(=O)(=O)CCCC
[[-0.3572,1.4437],[-0.3572,0.6187],[-1.0717,0.2062],[-1.0717,-0.6187],[-1.7862,-1.0313],[-2.5006,-0.6187],[-3.2151,-1.0313],[-3.2151,-1.8563],[-3.9296,-0.6187],[-3.9296,0.2062],[-4.6441,-1.0313],[-4.6441,-1.8563],[-5.3585,-0.6187],[-5.3585,0.2062],[-6.073,0.6187],[-6.7875,0.2062],[-6.7875,-0.6187],[-6.073,-1.0313],[-6....
[[15,16,4],[16,17,4],[17,12,4],[12,13,4],[13,14,4],[14,15,4],[17,18,1],[12,10,1],[10,8,1],[8,6,1],[6,5,1],[5,4,4],[4,3,4],[3,2,4],[2,20,4],[20,19,4],[19,5,4],[8,9,2],[10,11,1],[6,7,1],[2,1,1],[1,21,1],[21,24,1],[21,22,5],[21,23,5],[1,0,1],[24,25,2],[24,26,1],[26,27,1],[27,33,1],[33,35,1],[33,34,2],[35,36,1],[36,43,1],[...
CCN(C(=S)SC(C(=O)OC)C1=CC=CC=C1)C1=CC=CC=C1
CCN(C(=S)SC(C(=O)OC)C1=CC=CC=C1)C1=CC=CC=C1
[[-0.4934,-2.2135],[-0.4934,-1.3885],[-0.9059,-0.674],[-0.1914,-0.2615],[-0.1914,0.5635],[0.523,-0.674],[1.2375,-0.2615],[1.952,-0.674],[1.952,-1.499],[2.6664,-0.2615],[3.3809,-0.674],[1.2375,0.5635],[1.952,0.976],[1.952,1.801],[1.2375,2.2135],[0.523,1.801],[0.523,0.976],[-1.7309,-0.674],[-2.1434,0.0405],[-2.9684,0.040...
[[21,22,2],[22,17,1],[17,18,2],[18,19,1],[19,20,2],[20,21,1],[17,2,1],[2,3,1],[2,1,1],[3,5,1],[3,4,2],[5,6,1],[1,0,1],[6,7,1],[6,11,1],[11,12,2],[12,13,1],[13,14,2],[14,15,1],[15,16,2],[16,11,1],[7,9,1],[7,8,2],[9,10,1]]
C.C.CC(C)=O.CCN1CCN(C)C1.CCN1CCN(C)C1.Cl.[Cl-].[K+]
[CF3CFHCF2SO3].[CF3CFHCF2SO3K].CC(C)=O.CCN1CCN(C)C1.CCN1CCN(C)C1.Cl.[Cl-].[K+]
[[1.7852,-1.2584],[-1.1847,1.3906],[1.905,1.5247],[2.6195,1.9372],[3.334,1.5247],[2.6195,2.7622],[2.9066,-2.2772],[2.1922,-1.8647],[1.4777,-2.2772],[1.2228,-1.4926],[0.3978,-1.4926],[0.1428,-2.2772],[-0.5717,-2.6897],[0.8103,-2.7622],[-2.0259,1.3966],[-2.7404,1.8091],[-3.4548,1.3966],[-3.7098,2.1812],[-4.5348,2.1812],[...
[[9,10,1],[10,11,1],[11,13,1],[13,8,1],[8,9,1],[11,12,1],[8,7,1],[7,6,1],[2,3,1],[3,4,1],[3,5,2],[17,18,1],[18,19,1],[19,21,1],[21,16,1],[16,17,1],[19,20,1],[16,15,1],[15,14,1]]
[1*]C1(C)C2CC(C3C4C=CC(C4)C32)C1([2*])C
[1*]C1([X1])C2CC(C3C4C=CC(C4)C32)C1([2*])[X2]
[[1.843,0.4109],[1.0181,0.4141],[1.4334,1.127],[0.3052,0.8294],[0.5154,-0.0245],[0.2987,-0.8206],[-0.4141,-0.4053],[-1.1302,-0.815],[-1.843,-0.3996],[-1.8398,0.4253],[-1.1237,0.835],[-0.9135,-0.0189],[-0.4109,0.4197],[1.0148,-0.4109],[1.8398,-0.4141],[1.4245,-1.127]]
[[6,12,1],[12,10,1],[10,9,1],[9,8,2],[8,7,1],[7,6,1],[6,5,1],[5,13,1],[13,1,1],[1,3,1],[3,12,1],[7,11,1],[5,4,1],[3,4,1],[11,10,1],[13,14,1],[1,0,1],[13,15,1],[1,2,1]]
*[U]=*#[3H-]#*.*[U]=*#[3H-]#*
*[U]=*#[3H-]#*.*[U]=*#[3H-]#*
[[-2.6291,0.6479],[-1.8779,-0.6526],[-0.3756,-0.6526],[1.1268,-0.6526],[2.6291,-0.6526],[-2.6291,0.6479],[-1.8779,-0.6526],[-0.3756,-0.6526],[1.1268,-0.6526],[2.6291,-0.6526]]
[[4,3,3],[3,2,3],[2,1,2],[1,0,1],[9,8,3],[8,7,3],[7,6,2],[6,5,1]]
[2*]C.[3*]C.[6*]C.[7*]C.[8*]C(C1=CC=CC=C1)(C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC=CC=C1)C1=CN=CN1C
[2*]C.[3*]C.[6*]C.[7*]C.[8*]C(C1=CC=CC=C1)(C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC=CC=C1)C1=CN=CN1C
[[-3.2852,1.5275],[-2.4602,1.5269],[-2.6649,2.5984],[-2.2534,1.8839],[2.8563,-2.0201],[2.4449,-1.3056],[3.4766,-0.9493],[2.6516,-0.9487],[1.5247,0.2891],[0.8102,-0.1234],[1.5247,-0.5359],[1.5247,-1.3609],[2.2385,-1.7723],[2.953,-1.3609],[2.9536,-0.5359],[2.2391,-0.1234],[0.0957,-0.5359],[-0.6187,-0.1234],[-1.3332,-0.53...
[[32,33,2],[33,28,1],[28,29,2],[29,30,1],[30,31,2],[31,32,1],[28,27,1],[27,26,2],[26,24,1],[24,22,1],[22,19,1],[19,18,2],[18,27,1],[19,20,1],[20,21,2],[21,16,1],[16,17,2],[17,18,1],[24,25,2],[22,23,1],[16,9,1],[9,10,1],[9,34,1],[9,8,1],[10,11,2],[11,12,1],[12,13,2],[13,14,1],[14,15,2],[15,10,1],[34,38,1],[38,37,1],[37,...
CCC(=CC1=[N+](CCS(=O)(=O)[O-])c2cc(-c3ccccc3)ccc2O1)C=C1Oc2cc(C)c(C)cc2N1CCCCS(=O)(=O)O[K]
CCC(=CC1=[N+](CCS(=O)(=O)[O-])c2cc(-c3ccccc3)ccc2O1)C=C1Oc2cc(C)c(C)cc2N1CCCCS(=O)(=O)O[K]
[[1.784,1.5744],[1.0695,1.9869],[0.7145,1.3669],[-0.3621,1.3669],[-1.1871,1.3669],[-1.672,0.6995],[-2.1317,-0.8614],[-2.7151,-0.278],[-3.5114,-0.4834],[-3.3038,-1.2819],[-3.7189,0.3151],[-4.3098,-0.6909],[-2.4566,0.9544],[-3.1711,0.5419],[-3.8855,0.9544],[-4.6,0.5419],[-5.3145,0.9544],[-6.029,0.5419],[-6.029,-0.2831],[...
[[14,13,4],[13,12,4],[12,23,4],[23,22,4],[22,21,4],[21,14,4],[14,15,1],[12,5,1],[5,4,2],[4,24,1],[24,23,1],[4,3,1],[3,2,2],[2,25,1],[25,26,2],[28,35,4],[35,34,4],[34,32,4],[32,30,4],[30,29,4],[29,28,4],[28,27,1],[27,26,1],[26,36,1],[36,35,1],[30,31,1],[32,33,1],[15,16,4],[16,17,4],[17,18,4],[18,19,4],[19,20,4],[20,15,4...
C1=CCC=C1.C1=CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1C=CC=C1.CCC1C=CCC1.CCC1CCCC1
C1=CCC=C1.C1=CCCC1.C1CCCC1.C[(R2)n].C[(R1)m].C[(R2)n].C[(R2)n].C[(R1)m].C[(R1)m].C[(R2)n].C[(R1)m].C[(R1)m].C[(R2)n].C[(R2)n].C[(R1)m].CCC1C=CC=C1.CCC1C=CCC1.CCC1CCCC1
[[-2.2524,-5.0526],[-2.5073,-4.268],[-1.8399,-3.783],[-1.1724,-4.268],[-1.4274,-5.0526],[-2.2524,-0.6053],[-2.5073,0.1793],[-1.8399,0.6642],[-1.1724,0.1793],[-1.4274,-0.6053],[-1.4274,3.6099],[-1.1724,4.3945],[-1.8399,4.8795],[-2.5073,4.3945],[-2.2524,3.6099],[-1.8468,-0.3431],[-1.8468,-1.1681],[-2.146,4.132],[-3.1989,...
[[39,40,1],[40,41,1],[42,43,2],[43,44,1],[44,45,2],[45,41,1],[41,42,1],[37,38,1],[35,36,1],[33,34,1],[0,4,1],[4,3,2],[3,2,1],[2,1,1],[1,0,2],[31,32,1],[46,47,1],[47,48,1],[49,50,2],[50,51,1],[51,52,1],[52,48,1],[48,49,1],[29,30,1],[27,28,1],[15,16,1],[5,9,1],[9,8,1],[8,7,1],[7,6,1],[6,5,2],[25,26,1],[53,54,1],[54,55,1]...
CC.CC.O=C1CCCCO1.O=C1CCCO1.O=C1OC2CC3CC1C2C3.O=C1OC2CCCC1C2.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OCC
C[(R5)k].C[(R5)j].O=C1CCCCO1.O=C1CCCO1.O=C1OC2CC3CC1C2[Y2]3.O=C1OC2CCCC1C2.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)OC.[4*]C(C)(CC)C(=O)O[Y3]C
[[-0.3299,-13.5261],[0.4671,-13.3131],[-0.1806,-4.3541],[0.5342,-3.9421],[-1.3635,-5.9893],[-0.951,-5.2749],[-1.3635,-4.5604],[-0.951,-3.8459],[-0.126,-3.8459],[0.2865,-4.5604],[-0.126,-5.2749],[-0.5996,-15.1561],[-0.5996,-14.3311],[0.0678,-13.8462],[-0.1451,-13.0492],[-1.0121,-13.0616],[-1.267,-13.8462],[-1.6017,9.788...
[[64,66,1],[66,67,1],[64,65,1],[64,68,1],[64,63,1],[68,70,1],[68,69,2],[72,71,1],[70,71,1],[14,15,1],[15,16,1],[16,12,1],[12,13,1],[13,14,1],[12,11,2],[0,1,1],[6,5,1],[5,10,1],[10,9,1],[9,8,1],[8,7,1],[7,6,1],[5,4,2],[2,3,1],[37,39,1],[39,40,1],[37,38,1],[37,41,1],[37,36,1],[41,43,1],[41,42,2],[44,43,1],[46,48,1],[48,4...
*C(CP)N(*)C(=O)[W][C@@H]1CC[C@]2(CO2)[C@@]([H])(C2(C)OC2Ccc(C)C)[C@@H]1[1*]
*C([Z]P)N(*)C(=O)[W][C@@H]1CC[C@]2(CO2)[C@@]([H])(C2(C)OC2Ccc(C)C)[C@@H]1[1*]
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CC(=O)O[SH]=C=O.CN
CC(=O)O[SH]=C=O.[mPEG]N
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[[7,8,1],[1,2,2],[5,6,2],[3,1,1],[3,4,1],[1,0,1],[4,5,2]]
CC.CC(=O)C1=CC=CC=C1S(N)(=O)=O.[6*]N(CC)OOS[7*]
C[(R8)n].[OR1]C(=O)C1=CC=CC=C1S(N)(=O)=O.[6*]N(CC)OOS[7*]
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CC#CCOC1=CC2=C(C=C1)CN(C[C@@]1(C3=CC=C(C4=C5\N=CN(C(C)C)\C5=N/C=N\4)C=C3)NC(=O)NC1=O)C2=O
CC#CCOC1=CC2=C(C=C1)CN(C[C@@]1(C3=CC=C(C4=C5\N=CN(C(C)C)\C5=N/C=N\4)C=C3)NC(=O)NC1=O)C2=O
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[H][C@@]12C[C@]3([H])CC4=C(N(C)C)C=C(C5=CC=CC=C5)C(O)=C4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
[H][C@@]12C[C@]3([H])CC4=C(N(C)C)C=C(C5=CC=CC=C5)C(O)=C4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
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CCCc1c(CCSc2ccc(C(C)=O)c(OC)c2CCC)ccc(OCC)c1O
CCCc1c([X1][(CH2)m]Sc2ccc(C(C)=O)c(O[(CH2)nCOOR2])c2CCC)ccc(OCC)c1O
[[-0.5337,-0.8283],[-1.2482,-1.2408],[-1.9626,-0.8283],[-1.7224,-0.0042],[-1.3577,0.6274],[-0.6864,0.6274],[0.1009,0.6274],[1.6936,0.6274],[2.2296,0.6274],[2.5942,1.2589],[3.3235,1.2589],[3.6882,0.6274],[4.4175,0.6274],[4.83,-0.0871],[4.83,1.3418],[3.3235,-0.0042],[3.6882,-0.6358],[4.3401,-0.6358],[2.5942,-0.0042],[1.7...
[[24,28,4],[28,3,4],[3,4,4],[4,22,4],[22,23,4],[23,24,4],[28,29,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[8,18,4],[18,15,4],[15,11,4],[11,10,4],[10,9,4],[9,8,4],[15,16,1],[16,17,1],[24,25,1],[25,26,1],[26,27,1],[3,2,1],[2,1,1],[1,0,1],[11,12,1],[12,14,2],[12,13,1],[18,19,1],[19,20,1],[20,21,1]]
*C1=CC([N+]#[C-])=CC(C)=C1CC
*C1=CC([N+]#[C-])=CC([Z])=C1C[CO2R8]
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CS(=O)(=O)N1CCC(NC(=O)OCC2=CC=CC=C2)CC1.O=C(NC1CCNCC1)OCC1=CC=CC=C1
CS(=O)(=O)N1CCC(NC(=O)OCC2=CC=CC=C2)CC1.O=C(NC1CCNCC1)OCC1=CC=CC=C1
[[-2.951,-3.2425],[-2.2366,-2.83],[-2.6491,-2.1155],[-2.2366,-3.655],[-1.4116,-2.83],[-0.9991,-3.5444],[-0.1741,-3.5444],[0.2384,-2.83],[1.0634,-2.83],[1.7779,-3.2425],[1.7779,-4.0675],[2.4924,-2.83],[3.2068,-3.2425],[3.9213,-2.83],[4.6358,-3.2425],[5.3503,-2.83],[5.3503,-2.005],[4.6358,-1.5925],[3.9213,-2.005],[-0.174...
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CCC(O)C(CC)OCCOCCOC
CCC(O)C(CC)OCCOCCOC
[[2.5006,1.0312],[1.7862,1.4437],[1.0717,1.0312],[0.3572,1.4437],[1.0717,0.2062],[1.7862,-0.2063],[2.5006,0.2062],[0.3572,-0.2063],[-0.3572,0.2062],[-1.0717,-0.2062],[-1.7862,0.2063],[-2.5006,-0.2062],[-2.5006,-1.0312],[-1.7862,-1.4437],[-1.0717,-1.0312]]
[[4,2,1],[4,5,1],[5,6,1],[0,1,1],[1,2,1],[4,7,1],[7,8,1],[8,9,1],[9,10,1],[10,11,1],[11,12,1],[12,13,1],[13,14,1],[2,3,1]]
O=C(/C=C/C=C/C1=C2N=CC=CC2=CC=C1)N1CCN(C(=O)/C=C/C=C/C2=C3N=CC=CC3=CC=C2)CC1
O=C(/C=C/C=C/C1=C2N=CC=CC2=CC=C1)N1CCN(C(=O)/C=C/C=C/C2=C3N=CC=CC3=CC=C2)CC1
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[[6,7,2],[7,12,1],[12,13,2],[13,14,1],[14,15,2],[6,15,1],[6,5,1],[5,4,2],[4,3,1],[3,2,2],[2,1,1],[1,16,1],[1,0,2],[16,17,1],[17,18,1],[18,19,1],[19,36,1],[36,37,1],[16,37,1],[19,20,1],[20,22,1],[20,21,2],[22,23,2],[23,24,1],[24,25,2],[25,26,1],[26,27,2],[27,32,1],[32,33,2],[33,34,1],[34,35,2],[26,35,1],[7,8,1],[8,9,2],...
COC1=CC=C(C#CC2=NC=CS2)C=C1.COC1=CC=C(C2=NNN=C2C2=NC=CS2)C=C1.C[Si](C)(C)N=[N+]=[N-]
COC1=CC=C(C#CC2=NC=CS2)C=C1.COC1=CC=C(C2=NNN=C2C2=NC=CS2)C=C1.C[Si](C)(C)N=[N+]=[N-]
[[-5.5297,3.8238],[-5.1172,3.1093],[-4.2922,3.1093],[-3.8797,3.8238],[-3.0547,3.8238],[-2.6422,3.1093],[-1.8172,3.1093],[-0.9922,3.1093],[-0.1672,3.1093],[0.3178,3.7767],[1.1024,3.5218],[1.1024,2.6968],[0.3178,2.4419],[-3.0547,2.3948],[-3.8797,2.3948],[5.5297,0.3037],[4.7047,0.3037],[4.2922,-0.4108],[4.7047,-1.1253],[4...
[[34,33,1],[34,35,1],[34,36,1],[34,37,1],[37,38,2],[38,39,2],[21,25,1],[25,24,2],[24,23,1],[23,22,1],[22,21,2],[25,26,1],[21,20,1],[20,19,2],[19,18,1],[18,17,2],[17,32,1],[32,31,2],[31,20,1],[30,26,1],[26,27,2],[27,28,1],[28,29,2],[29,30,1],[17,16,1],[16,15,1],[14,13,2],[13,5,1],[5,4,2],[4,3,1],[3,2,2],[2,14,1],[2,1,1]...
*N1CC2CC(C3=CC=C([RaH])C=C3)=C(C(=O)N([1*])CC)C(C1)N2.C.[1*]N(CC)C(=O)C1=C(C2=CC=C([RaH])C=C2)CC2CNCC1N2C
*N1CC2CC(C3=C[X]=C([RaH])C=C3)=C(C(=O)N([1*])[Q][M])C(C1)N2.[AC].[1*]N([Q][M])C(=O)C1=C(C2=C[X]=C([RaH])C=C2)CC2CNCC1N2[PG]
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[[3,22,1],[22,20,1],[20,21,1],[21,1,1],[1,2,1],[2,3,1],[20,13,1],[4,3,1],[5,6,1],[6,7,2],[7,8,1],[8,9,2],[9,11,1],[11,12,2],[12,6,1],[9,10,1],[13,5,2],[13,14,1],[14,16,1],[4,5,1],[1,0,1],[16,17,1],[16,18,1],[18,19,1],[14,15,2],[40,45,1],[45,44,1],[44,43,1],[43,42,1],[42,41,1],[41,40,1],[44,30,1],[39,40,1],[45,46,1],[31...
[10*]C(=O)NCN([11*])[12*].[10*]C(=O)OCN([11*])[12*]
[10*]C(=O)N[(CH2)c]N([11*])[12*].[10*]C(=O)O[(CH2)c]N([11*])[12*]
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[[12,13,1],[13,14,1],[13,15,1],[8,9,1],[12,11,1],[9,10,2],[9,11,1],[4,5,1],[5,6,1],[5,7,1],[0,1,1],[4,3,1],[1,2,2],[1,3,1]]
O=C(CCCCCCCC(=O)NC1=CC=CC=C1C(NC1=CC=CC=N1)C(C1=CC=CC=N1)C(O)C1=CC=CC=C1)NCC1=CC(C2C(CCC(O)C3=CC=C(F)C=C3)C(=O)N2C2=CC=C(F)C=C2)=CC=C1.O=C(O)C(F)(F)F
O=C(CCCCCCCC(=O)NC1=CC=CC=C1C(NC1=CC=CC=N1)C(C1=CC=CC=N1)C(O)C1=CC=CC=C1)NCC1=CC(C2C(CCC(O)C3=CC=C(F)C=C3)C(=O)N2C2=CC=C(F)C=C2)=CC=C1.O=C(O)C(F)(F)F
[[0.0512,0.2538],[0.0512,-0.5712],[0.7656,-0.9837],[1.4801,-0.5712],[2.1946,-0.9837],[2.909,-0.5712],[3.6235,-0.9837],[4.338,-0.5712],[5.0524,-0.9837],[5.7669,-0.5712],[5.7669,0.2538],[6.4814,-0.9837],[7.2783,-0.7701],[7.8616,-1.3535],[8.6585,-1.14],[8.8721,-0.3431],[8.2887,0.2403],[7.4918,0.0267],[7.0793,0.7412],[6.36...
[[54,55,2],[55,57,1],[57,58,2],[58,52,1],[52,53,2],[53,54,1],[50,52,1],[49,50,1],[48,49,1],[48,47,1],[47,59,1],[59,61,1],[61,46,1],[46,47,1],[46,45,1],[59,60,2],[61,62,1],[50,51,1],[62,63,2],[63,64,1],[64,65,2],[65,67,1],[67,68,2],[68,62,1],[55,56,1],[65,66,1],[41,42,1],[1,41,1],[2,1,1],[3,2,1],[6,5,1],[7,6,1],[8,7,1],...
[5*][Si]([6*])([9*]C)O[Si]([7*])([8*])[10*]C
[5*][Si]([6*])([9*]C)O[Si]([7*])([8*])[10*]C
[[-0.6723,0.825],[-0.825,0.0],[-0.6723,-0.825],[-1.65,0.0],[-2.475,0.0],[0.0,0.0],[0.825,0.0],[0.9777,0.825],[0.9777,-0.825],[1.65,0.0],[2.475,0.0]]
[[4,3,1],[3,1,1],[1,5,1],[5,6,1],[6,9,1],[9,10,1],[1,0,1],[6,7,1],[6,8,1],[1,2,1]]
CCCC(=NO)C(C)C
CCCC(=NO)C(C)C
[[-1.7862,-0.4125],[-1.0717,0.0],[-0.3572,-0.4125],[0.3572,0.0],[0.3572,0.825],[1.0717,1.2375],[1.0717,-0.4125],[1.7862,0.0],[1.0717,-1.2375]]
[[1,0,1],[2,1,1],[3,2,1],[6,3,1],[7,6,1],[6,8,1],[3,4,2],[4,5,1]]
CNCC(C1=CC=CC=C1)N(C)C.COC(=O)C(C1=CC=CC=C1)N(C)C.COC(=O)CC(C)N(C)C(=O)OC(C)(C)C.COC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C.[1*]N([9*])C([11*])CC([12*])N([2*])[H].[1*]N([9*])C([11*])CC([12*])N([2*])[H].[H]N(C)CCC(C)N(C)C.[H]N(C)[C@@H](C)CNC
CNCC(C1=CC=CC=C1)N(C)C.COC(=O)C(C1=CC=CC=C1)N(C)C.COC(=O)CC(C)N(C)C(=O)OC(C)(C)C.COC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C.[1*]N([9*])C([11*])CC([12*])N([2*])[H].[1*]N([9*])C([11*])CC([12*])N([2*])[H].[H]N(C)CCC(C)N(C)C.[H]N(C)[C@@H](C)CNC
[[-1.7384,-5.1535],[-2.4529,-4.741],[-3.1674,-5.1535],[-3.8818,-4.741],[-3.8818,-3.916],[-3.1674,-3.5035],[-3.1674,-2.6785],[-3.8818,-2.266],[-4.5963,-2.6785],[-4.5963,-3.5035],[-4.5963,-5.1535],[-5.3108,-4.741],[-4.5963,-5.9785],[5.1736,-5.1535],[4.4591,-4.741],[3.7447,-5.1535],[3.7447,-5.9785],[3.0302,-4.741],[3.0302...
[[87,88,1],[85,87,1],[84,85,1],[83,84,1],[87,89,1],[85,86,1],[83,81,1],[81,80,1],[81,82,1],[32,34,1],[31,32,1],[29,31,1],[32,33,1],[29,30,2],[29,28,1],[28,27,1],[34,36,1],[38,39,1],[39,40,1],[39,41,1],[39,42,1],[36,37,2],[38,36,1],[34,35,1],[10,11,1],[3,10,1],[2,3,1],[10,12,1],[3,4,1],[4,5,2],[5,6,1],[6,7,2],[7,8,1],[8...
[H]N(C(=O)CCCCCCC(=O)O)C1=CC=CC(C#N)=C1
[H]N(C(=O)CCCCCCC(=O)O)C1=CC=CC(C#N)=C1
[[-0.0993,2.2581],[-0.5118,1.5436],[-0.0993,0.8291],[-0.5118,0.1147],[2.9875,-1.8456],[2.273,-2.2581],[1.5585,-1.8456],[0.8441,-2.2581],[0.1296,-1.8456],[-0.5849,-2.2581],[2.3023,0.8291],[2.7148,1.5436],[2.7148,0.1147],[-1.3368,1.5436],[-1.7493,2.2581],[-2.5743,2.2581],[-2.9868,1.5436],[-2.5743,0.8291],[-2.9875,0.1167]...
[[13,14,2],[14,15,1],[15,16,2],[16,17,1],[17,20,2],[20,13,1],[13,1,1],[1,0,1],[1,2,1],[2,3,2],[10,12,1],[10,11,2],[2,4,1],[10,9,1],[4,5,1],[5,6,1],[6,7,1],[7,8,1],[8,9,1],[17,18,1],[18,19,3]]
CC1(C2=CC=C(CNC(=O)NCCC3=CC=CC=C3)C=C2)C(=O)N(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1
CC1(C2=CC=C(CNC(=O)NCCC3=CC=CC=C3)C=C2)C(=O)N(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1
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C.[1*]C1[C@H](B)O[C@H](CO[P@](C)(=[Y])O[C@@H]2C([2*])[C@@H](B)O[C@@H]2COP(C)(O)=[Y][Y])[C@@H]1O
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*N([H])C1C[Y]C1=C
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[[-1.4448,0.4125],[-0.6198,0.4125],[-0.6198,-0.4125],[0.2052,0.4125],[0.3661,1.0323],[1.4448,0.4125],[0.825,-0.2073],[0.825,-1.0323]]
[[1,3,1],[1,2,1],[1,0,1],[3,6,1],[6,5,1],[4,5,1],[4,3,1],[6,7,2]]
COC1=C(C2=C(C3=C(C=O)SC4=C3C=CC=C4)CCC2)C2=C(C=CC=C2)S1.FF.FF.FF
COC1=C(C2=C(C3=C(C=O)SC4=C3C=CC=C4)CCC2)C2=C(C=CC=C2)S1.FF.FF.FF
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CC.CC.CC.CC.[4*]N(C1=CC=CC=C1)C1=NN2C(=NN=C2CC2=CC=CC=C2)C=C1.[4*]N(C1=NN2C(=NN=C2CC2=CC=CC=C2)C=C1)C1CCCCC1
C[(QRX)x].C[y(RYZ)].C[(QRX)x].C[y(RYZ)].[4*]N(C1=CC=CC=C1)C1=NN2C(=NN=C2[NR]C2=CC=CC=C2)C=C1.[4*]N(C1=NN2C(=NN=C2[NR]C2=CC=CC=C2)C=C1)C1CCCCC1
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O=C1N=C2NCCCC2=CN1C1CC(O)C(CO)O1.O=C1N=C2NCCCC2=CN1C1CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
O=C1N=C2NCCCC2=CN1C1CC(O)C(CO)O1.O=C1N=C2NCCCC2=CN1C1CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
[[-3.3415,4.5592],[-2.627,4.9717],[-2.627,5.7967],[-1.9125,6.2092],[-1.9125,7.0342],[-1.198,7.4467],[-0.4836,7.0342],[-0.4836,6.2092],[-1.198,5.7967],[-1.198,4.9717],[-1.9125,4.5592],[-1.9125,2.9608],[-2.1675,2.1761],[-2.9925,2.1761],[-2.9925,1.3511],[-3.2474,2.9608],[-3.2474,3.7858],[-3.9435,3.7858],[-2.58,3.4457],[1....
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*I.CC[C@@]1(C)CCC2[C@](C)(CC[C@@H](C)[C@@]2(C)CC)[C@H]1C/C=C1/C(=O)OC[C@H]1[Y]
*I.[R4]C[C@@]1([R5])CCC2[C@](C)(CC[C@@H]([P1O])[C@@]2(C)C[P2O])[C@H]1C/C=C1/C(=O)OC[C@H]1[Y]
[[-6.061,5.615],[-7.5634,5.615],[7.4084,-2.061],[6.108,-1.3099],[4.8075,-2.061],[6.108,-2.8122],[4.8075,-3.5634],[3.5117,-4.3146],[2.2113,-3.5634],[2.2113,-2.061],[2.2113,-0.5587],[0.9155,-1.3099],[-0.385,-2.061],[-0.385,-3.5634],[-1.6854,-4.3146],[0.9155,-4.3146],[1.6667,-5.615],[0.1643,-5.615],[-1.338,-5.615],[3.5117...
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C.C[C@H]1CN(/C(=N\C2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC2=CC3=C(C=C2)C(=O)N(C)C(COC2=C(F)C=C(F)C=C2)=N3)CCN1
[Chiral].C[C@H]1CN(/C(=N\C2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC2=CC3=C(C=C2)C(=O)N(C)C(COC2=C(F)C=C(F)C=C2)=N3)CCN1
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BC1=C2C=C(S(=O)(=O)OC)C(/N=N/C3=CC=C(C)C=C3)=C(O)C2=CC=C1C.COOOSC
BC1=C2C=C(S(=O)(=O)O[M])C(/N=N/C3=CC=C([OR6])C=C3)=C(O)C2=CC=C1C.[M]OOOSC
[[-2.5006,-2.6352],[-2.5006,-1.8102],[-1.7862,-1.3977],[-1.0717,-1.8102],[-0.3572,-1.3977],[0.8803,-1.8102],[1.2928,-1.0957],[0.1658,-1.3977],[0.4678,-2.5246],[-0.3572,-2.5246],[-0.3572,-0.5727],[0.3572,-0.1602],[1.0717,-0.5727],[1.7862,-0.1602],[1.7862,0.6648],[2.5006,1.0773],[3.2151,0.6648],[3.9296,1.0773],[3.2151,-0...
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*OC(=O)CC(O)C(=O)O*.COC(=O)CC(O)CO.O=C1CC(O)CO1
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[[-1.5794,-0.3965],[-2.2939,-0.809],[-3.0083,-0.3965],[-3.7228,-0.809],[-3.365,-0.6043],[-4.0795,-0.1918],[-4.0795,0.6332],[-5.1533,-0.809],[-5.8678,-1.2215],[-4.4389,-1.2215],[-3.7244,-0.809],[5.8678,-0.4081],[5.1533,-0.8206],[4.4389,-0.4081],[3.7244,-0.8206],[4.083,-0.6143],[3.3685,-0.2018],[3.3685,0.6232],[2.654,-0....
[[4,5,1],[5,6,1],[5,7,1],[7,8,2],[7,9,1],[9,10,1],[4,2,1],[2,3,2],[2,1,1],[1,0,1],[26,21,1],[21,22,1],[22,23,1],[23,25,1],[25,26,1],[21,20,2],[23,24,1],[18,19,1],[16,18,1],[15,16,1],[16,17,1],[15,13,1],[13,14,2],[13,12,1],[12,11,1]]
CN1CCC(CC2CCN(C)CC2)CC1.[1*]C1CN(C)CCN1C.[2*]N(C)CCCN([3*])C
CN1CC[Y1]([(CH2)n][Y2]2CCN(C)CC2)CC1.[1*]C1CN(C)[(CH2)m]CN1C.[2*]N(C)[(CH2)p][Z][(CH2)q]N([3*])C
[[-3.6758,-0.3311],[-2.8508,-0.3311],[-2.4383,-1.0455],[-1.6133,-1.0455],[-1.2008,-0.3311],[-0.3758,-0.3311],[1.2008,-0.3311],[1.6133,-1.0455],[2.4383,-1.0455],[2.8508,-0.3311],[3.6758,-0.3311],[2.4383,0.3834],[1.6133,0.3834],[-1.6133,0.3834],[-2.4383,0.3834],[-2.8508,1.4723],[-2.4383,2.1868],[-1.6133,2.1868],[-1.2008,...
[[22,16,1],[16,17,1],[17,18,1],[18,20,1],[20,21,1],[21,22,1],[18,19,1],[22,23,1],[16,15,1],[1,2,1],[2,3,1],[3,4,1],[4,13,1],[13,14,1],[14,1,1],[4,5,1],[1,0,1],[5,6,1],[6,7,1],[7,8,1],[8,9,1],[9,11,1],[11,12,1],[12,6,1],[9,10,1],[25,27,1],[27,28,1],[25,26,1],[28,29,1],[25,24,1],[29,30,1],[30,32,1],[30,31,1]]
CC.[2*]N(CC(C)C)C1CCN([W])C1
C[(R1)n].[2*]N([L1][X1]([A2])[A1])C1CCN([W])C1
[[-1.4139,0.0009],[-2.1284,0.4134],[0.3712,0.8273],[0.3712,0.0023],[1.1962,0.0023],[2.0212,0.0023],[2.4337,-0.7122],[2.4337,0.7168],[-0.4538,0.0009],[-0.9339,0.6646],[-1.7193,0.412],[-1.7193,-0.4148],[-2.4337,-0.8273],[-0.9339,-0.6674]]
[[10,11,1],[11,13,1],[13,8,1],[8,9,1],[10,9,1],[8,3,1],[11,12,1],[3,2,1],[3,4,1],[4,5,1],[5,6,1],[5,7,1],[0,1,1]]
CC1(C)OCC2=C(C=CC(C(=O)CBr)=C2)O1.CC1(C)OCC2=C(C=CC(C3CO3)=C2)O1.OCC1=C(O)C=CC=C1
CC1(C)OCC2=C(C=CC(C(=O)CBr)=C2)O1.CC1(C)OCC2=C(C=CC(C3CO3)=C2)O1.OCC1=C(O)C=CC=C1
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[[22,21,2],[21,20,1],[30,22,1],[22,23,1],[23,24,2],[24,25,1],[25,29,2],[29,21,1],[25,26,1],[26,27,1],[27,28,1],[28,26,1],[20,19,1],[30,17,1],[19,17,1],[17,16,1],[17,18,1],[6,5,2],[5,4,1],[15,6,1],[6,7,1],[7,8,2],[8,9,1],[9,14,2],[14,5,1],[9,10,1],[11,10,2],[4,3,1],[15,1,1],[3,1,1],[1,0,1],[1,2,1],[10,12,1],[12,13,1],[3...
CN1C[C@H](O)CC1C(=O)O.CO[C@@H]1CC(C(=O)O)N(C)C1.II.I[IH]I.[2*]C1=[W]C2=C(C=C(C)C(C)=C2C)C(C)=C1.[V]I
[PG]N1C[C@H](O)CC1C(=O)O.[Q]O[C@@H]1CC(C(=O)O)N([PG])C1.II.I[IH]I.[2*]C1=[W]C2=C(C=C([L2])C([L0])=C2[L1])C([X])=C1.[V]I
[[-5.3278,1.8099],[-4.9153,2.5244],[-5.1702,3.309],[-4.5028,3.7939],[-4.5028,4.6189],[-3.8353,3.309],[-4.0903,2.5244],[-3.2653,1.8099],[-4.0903,1.8099],[-2.8528,2.5244],[4.3922,-0.8273],[3.6778,-1.2398],[3.6778,-2.0648],[4.3452,-2.5498],[4.0903,-3.3344],[4.9153,-4.0489],[4.0903,-4.0489],[5.3278,-3.3344],[3.2653,-3.3344...
[[18,14,1],[14,13,1],[13,12,1],[12,20,1],[20,18,1],[18,19,1],[12,11,6],[11,10,1],[14,15,1],[15,16,2],[15,17,1],[42,41,1],[36,34,2],[34,32,1],[32,31,2],[31,30,1],[30,29,2],[29,36,1],[30,38,1],[38,40,2],[40,27,1],[27,28,2],[28,29,1],[36,37,1],[34,35,1],[32,33,1],[38,39,1],[27,26,1],[23,24,1],[24,25,1],[1,6,1],[6,5,1],[5,...
[2*]C1=CC(C#CC2=CC3=C(C=C2)C(C(=O)OCC)=C(C)CC3(C)C)=CC=C1CC(=O)O
[2*]C1=CC(C#CC2=CC3=C(C=C2)C(C(=O)OCC)=C(C)CC3(C)C)=CC=C1CC(=O)O
[[3.6052,0.33],[2.8908,0.7426],[2.1765,0.3303],[1.4618,0.7426],[0.7477,0.3301],[0.0335,-0.0824],[-0.6809,-0.4949],[-1.3954,-0.0824],[-2.1099,-0.4949],[-2.1099,-1.3199],[-1.3954,-1.7324],[-0.6809,-1.3199],[-2.8243,-1.7324],[-2.6697,-1.9801],[-1.8447,-1.9801],[-3.0822,-1.2657],[-3.9072,-1.2657],[-4.3197,-1.9801],[-3.5388...
[[20,18,1],[18,12,2],[12,9,1],[9,8,2],[8,21,1],[21,20,1],[9,10,1],[10,11,2],[11,6,1],[6,7,2],[7,8,1],[21,22,1],[21,23,1],[6,5,1],[18,19,1],[5,4,3],[4,3,1],[3,2,1],[2,1,2],[1,26,1],[26,25,2],[25,24,1],[24,3,2],[1,0,1],[26,27,1],[27,28,1],[28,29,2],[28,30,1],[12,13,1],[13,14,2],[13,15,1],[15,16,1],[17,16,1]]
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