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SMILY-APE-tox21

Text Classification
Transformers
Safetensors
roberta
Tox21
SMILES
APE Tokenizer
classification
Inference Endpoints
Model card Files Community
SMILY-APE-tox21 / tokenizer.json
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{
"<s>": 0,
"<pad>": 1,
"</s>": 2,
"<unk>": 3,
"<mask>": 4,
"C": 5,
"N": 6,
"(": 7,
"c": 8,
"1": 9,
")": 10,
"=": 11,
"O": 12,
"[NH+]": 13,
"[NH2+]": 14,
"2": 15,
"[O-]": 16,
"n": 17,
"3": 18,
"#": 19,
"F": 20,
"[nH]": 21,
"Br": 22,
"S": 23,
"Cl": 24,
"s": 25,
"o": 26,
"4": 27,
"[N-]": 28,
"[NH3+]": 29,
"[N+]": 30,
"[S-]": 31,
"B": 32,
"P": 33,
"5": 34,
"6": 35,
"I": 36,
"[nH+]": 37,
"-": 38,
"[Si]": 39,
"[se]": 40,
"[B-]": 41,
"[n+]": 42,
"[P+]": 43,
"[n-]": 44,
"7": 45,
"8": 46,
"9": 47,
"[Se]": 48,
"[C-]": 49,
"[Sn]": 50,
"p": 51,
"[CH]": 52,
"[s+]": 53,
"%10": 54,
"[SH]": 55,
"[Po]": 56,
"[C+]": 57,
"[Se-]": 58,
"[S+]": 59,
"%11": 60,
"%12": 61,
"%13": 62,
"[CH2-]": 63,
"[I-]": 64,
"[IH3]": 65,
"[Pt-]": 66,
"[SiH3]": 67,
"[SiH]": 68,
"[O+]": 69,
"[Te]": 70,
"[CH2]": 71,
"[Ge]": 72,
"[Hg]": 73,
"[SiH2]": 74,
"[o+]": 75,
"[BH2-]": 76,
"[I+]": 77,
"[GeH2]": 78,
"[Ga]": 79,
"[As]": 80,
"[SeH]": 81,
"[Hg+]": 82,
"[c+]": 83,
"[c-]": 84,
"%14": 85,
"%15": 86,
"%16": 87,
"%17": 88,
"%18": 89,
"%19": 90,
"%20": 91,
"%21": 92,
"%22": 93,
"%23": 94,
"%24": 95,
"%25": 96,
"%26": 97,
"%27": 98,
"%28": 99,
"%29": 100,
"%30": 101,
"%31": 102,
"%32": 103,
"%33": 104,
"%34": 105,
"%35": 106,
"%36": 107,
"%37": 108,
"%38": 109,
"%39": 110,
"%40": 111,
"[Cl+3]": 112,
"[At]": 113,
"[As+]": 114,
"[Pt]": 115,
"[Pb]": 116,
"[Sb]": 117,
"[PH+]": 118,
"[te]": 119,
"[Zr]": 120,
"[IH2]": 121,
"[Al]": 122,
"[CH-]": 123,
"[pH]": 124,
"[PbH]": 125,
"[W]": 126,
"[PH2+]": 127,
"[Bi]": 128,
"[In]": 129,
"[Ru]": 130,
"[p+]": 131,
"[BH3-]": 132,
"[Tl]": 133,
"[V]": 134,
"[Ti+2]": 135,
"[GeH]": 136,
"[BH]": 137,
"[Sb+]": 138,
"[PH]": 139,
"[Cr]": 140,
"[SnH]": 141,
"[Sn+]": 142,
"[Cl+2]": 143,
"[BH-]": 144,
"[cH+]": 145,
"[Te+]": 146,
"[NH]": 147,
"[Br+]": 148,
"[Zn]": 149,
"[NH-]": 150,
"[Tc]": 151,
"[Se+]": 152,
"[SnH2]": 153,
"[Sn+2]": 154,
"[Mo]": 155,
"[Si-]": 156,
"[Al+2]": 157,
"[Os]": 158,
"[UH]": 159,
"[I+3]": 160,
"[Au]": 161,
"[Mo+]": 162,
"[Ti]": 163,
"[OH+]": 164,
"[Sn-]": 165,
"[AsH]": 166,
"[as]": 167,
"[se+]": 168,
"[Sn+3]": 169,
"[Ru+3]": 170,
"[SiH-]": 171,
"[I+2]": 172,
"[Fe-]": 173,
"[Fe]": 174,
"[Cr+]": 175,
"[AlH]": 176,
"[GeH3]": 177,
"[PH-]": 178,
"[OH2+]": 179,
"[TeH]": 180,
"[W+2]": 181,
"[Mg+]": 182,
"[Cl+]": 183,
"[Al-]": 184,
"[Sb-]": 185,
"[P-]": 186,
"[Yb]": 187,
"[BiH2]": 188,
"[Al+]": 189,
"[Zr+2]": 190,
"[XeH]": 191,
"[IH4]": 192,
"[Re]": 193,
"[W-]": 194,
"[Ni]": 195,
"[Ta]": 196,
"[Ba]": 197,
"[Fe-2]": 198,
"[Ta-]": 199,
"[Si+]": 200,
"[Tm]": 201,
"[SnH3]": 202,
"[Pd]": 203,
"[Co]": 204,
"[Ir-3]": 205,
"%41": 206,
"%42": 207,
"%43": 208,
"%44": 209,
"%45": 210,
"%46": 211,
"%47": 212,
"%48": 213,
"%49": 214,
"%50": 215,
"%51": 216,
"%52": 217,
"[Ce]": 218,
"[In-]": 219,
"[U]": 220,
"[Pb+2]": 221,
"[Br+2]": 222,
"[Th]": 223,
"[Co-3]": 224,
"[IH]": 225,
"[WH]": 226,
"[Na]": 227,
"[RhH]": 228,
"[Rh]": 229,
"[AsH2]": 230,
"[Cu]": 231,
"[Xe]": 232,
"[Mn]": 233,
"[SH2]": 234,
"[cH-]": 235,
"[Pr]": 236,
"[Eu]": 237,
"[W+]": 238,
"cc": 239,
"CC": 240,
"C(": 241,
"c1": 242,
"O)": 243,
"(C": 244,
"c(": 245,
"c2": 246,
"C)": 247,
"=O)": 248,
"ccc": 249,
"c1cc": 250,
"cccc": 251,
")cc": 252,
"1CC": 253,
"C(=O)": 254,
"(C)": 255,
"c3": 256,
")C": 257,
"2)": 258,
"F)": 259,
"CCCC": 260,
"1C": 261,
"C1": 262,
"(=O)": 263,
"cc(": 264,
"CCC": 265,
"CO": 266,
"C(C)": 267,
"ccc(": 268,
"CC(": 269,
"OCC": 270,
"c1ccc(": 271,
"C2": 272,
"C(=O)N": 273,
")CC": 274,
"N(": 275,
"3)": 276,
"2CC": 277,
"NC(=O)": 278,
"c1cccc": 279,
")c1": 280,
"Cl)": 281,
"c2cccc": 282,
"cn": 283,
"=C(": 284,
"OC": 285,
")n": 286,
")c": 287,
"n1": 288,
"c2cc": 289,
"c1n": 290,
"ccccc": 291,
"nc(": 292,
"c(N": 293,
"N)": 294,
"c4": 295,
"(CC": 296,
")cc1": 297,
"[O-])": 298,
"CC1": 299,
"1)": 300,
"C(C": 301,
"nn": 302,
"c1cc(": 303,
"S(=O)": 304,
"ccc1": 305,
"CN": 306,
"(=O)N": 307,
")N": 308,
"CCO": 309,
"C1CC": 310,
"OC)": 311,
"c2ccc(": 312,
"(F)": 313,
"c2)": 314,
"n2": 315,
"c2n": 316,
"F)cc": 317,
"ccc(C": 318,
"=C": 319,
"c(C": 320,
"2)cc": 321,
"c1C": 322,
"C(F)": 323,
"c1ccc": 324,
"Cc1": 325,
"ccc3": 326,
"(C)C)": 327,
"1CO": 328,
"c1CC": 329,
"C(=": 330,
"Cc1cc": 331,
"O=": 332,
"NC(": 333,
"=CC": 334,
"Cl)cc": 335,
"CC(C)": 336,
"1O": 337,
"c1)": 338,
"OC(=O)": 339,
"c1cccc(": 340,
"C(=O)[O-]": 341,
"CC(=O)": 342,
"c(C)": 343,
"NC": 344,
"C3": 345,
"CC2": 346,
"c2c(": 347,
"cc1": 348,
"CCN": 349,
"C(C)(C)": 350,
"C(=O)C": 351,
"=O": 352,
"O=C(": 353,
")cc2": 354,
"(=O)[O-]": 355,
"CC1CC": 356,
"C(O)": 357,
"3CC": 358,
"c3ccc(": 359,
"c3ccccc": 360,
"2C": 361,
"c2cc(": 362,
"c(=O)": 363,
"CCC(": 364,
"C(N": 365,
"c2ccc": 366,
"N1CC": 367,
"OC(": 368,
"2)c1": 369,
"C(C)C)": 370,
"N2": 371,
"C(CC": 372,
"Br)": 373,
"C(F)(F)": 374,
"nc2": 375,
"3)cc": 376,
"(C)CC": 377,
")cc1CC": 378,
"NCC": 379,
"N(C(=O)": 380,
")C1CC": 381,
"[NH3+])": 382,
"2)n": 383,
"2CCCC": 384,
"nc": 385,
"(C)(C)": 386,
"1CC(C)": 387,
"[NH+]1CC": 388,
")c(": 389,
"(N": 390,
"4)": 391,
"OC(C)": 392,
"1CCCC": 393,
"c1c(": 394,
"c(F)": 395,
"NC(=O)C": 396,
"C[NH+]": 397,
"ncc": 398,
"nc1": 399,
"c5": 400,
"#N": 401,
"N(C)": 402,
"=N": 403,
"C=": 404,
"cc2": 405,
")C1": 406,
"c1ccc(C": 407,
"c3cc": 408,
"C)cc": 409,
"cs": 410,
"N(CC": 411,
"(O)": 412,
")cc1C": 413,
"[N+](=O)": 414,
"[NH2+]CC": 415,
"c3cccc": 416,
")C2": 417,
"c2cccc(": 418,
"1CCC": 419,
"1CCC(": 420,
"CC(=O)N": 421,
"c1ccc(N": 422,
"CC1C": 423,
"Cc1ccc(": 424,
"CCCCC": 425,
"c1cn": 426,
")cc(": 427,
"CC[NH+]": 428,
"C(=O)O": 429,
"(C)C": 430,
"N1": 431,
"Cl)c1": 432,
"3)CC": 433,
"ccccc4": 434,
"2)C": 435,
")ccc1": 436,
"n3": 437,
"c1cc(C": 438,
"c2c1": 439,
"n1CC": 440,
"NC(=O)N": 441,
"[NH2+]C": 442,
"C2CC": 443,
"3)C": 444,
"=O)cc": 445,
"C(=O)[O-])": 446,
"Br)cc": 447,
"C(N)": 448,
"F)c(": 449,
"C[NH2+]": 450,
"c3ccc": 451,
"[N+](=O)[O-]": 452,
"n(": 453,
"CC(O)": 454,
"COC(=O)": 455,
"[NH+](C)": 456,
"C1C": 457,
"ccccc3": 458,
"c1c": 459,
"[NH+](C": 460,
"Cl)c(": 461,
")cc2)": 462,
"CC)": 463,
"2)CC": 464,
"Oc1ccc(": 465,
"1CC(": 466,
"1CCO": 467,
"CCCO": 468,
"c1ccc2": 469,
"=[NH+]": 470,
"#N)": 471,
"[NH+](CC": 472,
"n2)": 473,
"=C(N": 474,
"ccccc2": 475,
"c1cc2": 476,
"3)n": 477,
"OCO": 478,
"(C)c1": 479,
"2)cc1": 480,
"c(Cl)": 481,
")cc3": 482,
"c1nc(": 483,
"1C(=O)": 484,
"c2cn": 485,
"N(C": 486,
"F)cc1": 487,
"c3cc(": 488,
"2CCC": 489,
"CCC1": 490,
"O)cc": 491,
"CS": 492,
")c2": 493,
"c2nc(": 494,
"Cl)cc1": 495,
"F)c1": 496,
"c1N": 497,
"n1C": 498,
"OCCO": 499,
"C(=O)C(": 500,
"=S": 501,
"c3n": 502,
"N#": 503,
"3CCCC": 504,
"ccn": 505,
"c3)": 506,
"c4ccccc": 507,
"c2ccc3": 508,
")C(=O)": 509,
"1O=C(": 510,
"C2)": 511,
"cccc1": 512,
"c1O": 513,
"(C)c(": 514,
"CCCCCC": 515,
"2)cc1CC": 516,
"c2ccc(C": 517,
"1CCN(": 518,
"cccc(": 519,
"c1CO": 520,
"c(OC)": 521,
"C(=O)NC": 522,
"nc3": 523,
"S(C)": 524,
"3)c2": 525,
"=OCC": 526,
"CC(C": 527,
"CC2)": 528,
"[NH+]2CC": 529,
"OCCC": 530,
"c4ccc(": 531,
"C1=": 532,
"OC2": 533,
"c3c(": 534,
"cccn": 535,
"Nc1n": 536,
"1N": 537,
")ccc2": 538,
"ccc4": 539,
"SCC": 540,
"nc(N": 541,
"(=O)=O)": 542,
"OC)cc": 543,
"O=C(N": 544,
"c1nn": 545,
"=OC": 546,
"(O": 547,
"C(C)CC": 548,
"c(c2": 549,
"C(CO)": 550,
")C1C": 551,
"Br)c1": 552,
"c2s": 553,
"C(C)=O)": 554,
"c1cccc2": 555,
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"=C(C)": 557,
"c6": 558,
"2)cc1C": 559,
"Cl)c2": 560,
"n(C)": 561,
"C(=S": 562,
"CCC2": 563,
"1CC1": 564,
"cccc2": 565,
"sc(": 566,
"=C2": 567,
"c[nH]": 568,
"C4": 569,
"s2)": 570,
"CC3": 571,
"OCCCC": 572,
"C1(": 573,
"2CCC(": 574,
"[NH+](": 575,
"O)C": 576,
"(Cl)": 577,
"Nc1ccc(": 578,
"N)=O)": 579,
"4CC": 580,
"CCC1CC": 581,
"SC": 582,
")cc1)": 583,
"(C(=O)N": 584,
"C(=O)N(": 585,
"c12": 586,
"N2CC": 587,
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"4)cc": 590,
"=C(C": 591,
"([O-])": 592,
"Cc1n": 593,
"CC(F)": 594,
")CC2)": 595,
"CCCN": 596,
"cc3": 597,
"c2)CC": 598,
"ccccc5": 599,
"ccc2": 600,
"c(S": 601,
"[nH]c(": 602,
"CN(": 603,
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"c1cc(N": 605,
"2CO": 606,
"c2)c1": 607,
"(CO)": 608,
"C2CCCC": 609,
"(C2": 610,
"c1ccc(O": 611,
"P(=O)": 612,
"c2)n": 613,
"OC1": 614,
"CC[NH2+]": 615,
"s1CC": 616,
"c(O)": 617,
"c2C)": 618,
"(C)cc": 619,
"S)": 620,
"n(C": 621,
"1Cc1cc": 622,
"ncn": 623,
"[N+](=O)[O-])": 624,
"o2)": 625,
")C(": 626,
"OC)c(": 627,
"(C(=O)": 628,
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"4)n": 630,
"=CCC": 631,
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"c2ccc(N": 634,
"Cn1": 635,
"C)CC": 636,
"c1cc(C)": 637,
"oc(": 638,
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"CCC(C)": 642,
"CCC3": 643,
"OCCOCC": 644,
"sc1": 645,
"no": 646,
"CCC[NH2+]": 647,
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"c1ccc(Br": 649,
"c2cc3": 650,
"[NH2+]C(C)": 651,
"c2nn": 652,
"c(O": 653,
"CCOCC": 654,
"[NH3+])CC": 655,
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"4)CC": 658,
"=C1": 659,
"CCC[NH+]": 660,
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"Br)cc1": 662,
"s1C": 663,
"C1)": 664,
"#C": 665,
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"(C)c2": 667,
"C(=O)CC": 668,
"c3cccc(": 669,
"#CC": 670,
"OC1CC": 671,
"C(N)=O)": 672,
"c1s": 673,
"1C[NH2+]": 674,
"s1)": 675,
")N1CC": 676,
"c(C)c1": 677,
")c4": 678,
"(F)F)": 679,
"c(N)n": 680,
")CC1CC": 681,
"[NH2+]C1CC": 682,
"2CCOCC": 683,
"C=CC": 684,
"CCC1C": 685,
"2CCN(": 686,
"c1Cl": 687,
"n1n": 688,
"2)s": 689,
"c3ccc(C": 690,
"NN": 691,
"n4": 692,
"Sc1n": 693,
"c1nc(N": 694,
"F)C": 695,
"2)c1C": 696,
"sc2": 697,
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"c2[nH]": 699,
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"1COCC": 701,
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"=CCCC": 703,
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"c1F": 705,
"Oc1cc": 706,
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"C(C)C": 709,
"o1CC": 710,
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"1Cc1": 713,
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"OC)c1": 715,
"3C": 716,
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"c1[nH]": 719,
"CCCC2": 720,
"N=C": 721,
"OC(=O)N": 722,
"(C)C)cc": 723,
"c(=O)[nH]": 724,
")C3": 725,
"[nH]c1": 726,
"1C=": 727,
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"Cl)CC": 730,
")C(=O)N": 731,
")cc4": 732,
"O)c(": 733,
"N=": 734,
"S(": 735,
"[NH+](C)C)": 736,
"C(=O)N2": 737,
"c3cn": 738,
"N3": 739,
")cc1Cl": 740,
"N2C(=O)": 741,
"1CN(": 742,
"csc(": 743,
"CN(C)": 744,
"c3c2": 745,
"c3)n": 746,
"OC3": 747,
"OCC1": 748,
"c(C)cc": 749,
"c(c3": 750,
"1CN": 751,
"(C)n": 752,
"=CC(=O)": 753,
"n1cn": 754,
"3)cc2": 755,
"1)N": 756,
"CCC4": 757,
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")O": 759,
"c1nc(C": 760,
"N1C(=O)": 761,
"C1O": 762,
"O=C1": 763,
"C2=O)": 764,
"[Si](C)(C)": 765,
"CCS": 766,
"C#": 767,
"n1)": 768,
"nc(C": 769,
")cc1F": 770,
"c2=O)": 771,
"c1cc(Br": 772,
"c2cccc3": 773,
"1(C)": 774,
"c2ncn": 775,
"c7": 776,
")c(C)": 777,
"o1C": 778,
")c1ccc(": 779,
"c2c(c1)": 780,
"4)c3": 781,
"c1ccn": 782,
"1C=CC": 783,
"cccc3": 784,
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"C1(C)": 786,
"c2nnc(": 787,
"cn1CC": 788,
"CC1)": 789,
"CCCC(C)": 790,
"(CCC": 791,
"n(CC": 792,
"Cl)cc(": 793,
"F)cc2": 794,
"n1cc": 795,
"2C)": 796,
"c1cs": 797,
"CC(=O)[O-]": 798,
"c3ccc4": 799,
"C(=O)C2": 800,
"c(CC": 801,
"ccc5": 802,
"C3CC": 803,
"o1)": 804,
"5)": 805,
"C([NH3+])": 806,
"C(=S)N": 807,
"CCCCC2": 808,
"Cc1cn": 809,
"NC(=": 810,
"c1ncn": 811,
"3)cc2)": 812,
"3CCOCC": 813,
"CC(CC": 814,
"O[Si]": 815,
"3)C2": 816,
"COCC": 817,
"cc(N": 818,
"c4ccc": 819,
"(OC)": 820,
"3)n2": 821,
"CC1(": 822,
"c1c(C)": 823,
"[O-])c1": 824,
"(CC)": 825,
"O=C([O-])": 826,
"c1cc2c(": 827,
"C=C": 828,
"=C(O)": 829,
"c2)cc1": 830,
"=CC(": 831,
")CC1": 832,
"cnc(N": 833,
"1CS": 834,
"2)CC1C": 835,
"ccccc6": 836,
"Oc2ccc(": 837,
"CCCC1": 838,
"=OCO": 839,
"c1ccco": 840,
"CCCC(": 841,
"(=O)[O-])": 842,
"c4cc(": 843,
"1CCCCCC": 844,
"c1ncc": 845,
"c4cccc": 846,
")(": 847,
"O=S(=O)": 848,
"[NH+](C)CC": 849,
"NC1CC": 850,
"c1no": 851,
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"OC4": 1323,
"Br)C": 1324,
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"on": 1327,
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"3CC4": 1332,
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"C1=OC": 1334,
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"nc4": 1337,
"C(C[NH3+])": 1338,
"ClCC": 1339,
"=C2S": 1340,
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"C(O)(": 1342,
"C(C)(O)": 1343,
"CC2CC": 1344,
"[NH3+]CC": 1345,
"C)cc1": 1346,
"c2ccs": 1347,
"Br)c": 1348,
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"1CCCCC": 1354,
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"[NH+]2CCOCC": 1362,
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"c(C)c2": 1368,
"nn1CC": 1369,
"CCCCCCC": 1370,
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"c3)c2": 1373,
"4CCOCC": 1374,
"C2CC2": 1375,
"3CCC(": 1376,
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"n1nn": 1378,
"ClC": 1379,
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"c(C3": 1381,
"c(CO": 1382,
"c3c(C)": 1383,
"[NH+](CC)CC": 1384,
"CCC[NH+]1CC": 1385,
"C2CC2)": 1386,
"c(OC)c1": 1387,
"2)C1C": 1388,
"3CCCCC": 1389,
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"CCOC)": 1391,
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"Br)cc(": 1394,
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"3=O)": 1397,
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"C2CC[NH+]": 1403,
"n2c(=O)": 1404,
"c(=O)c2": 1405,
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"c4c3": 1409,
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"CCN(C": 1420,
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"2CCO": 1424,
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"1)C(=O)": 1427,
"5)n": 1428,
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"(C)C1CC": 1431,
"N3CC": 1432,
"5CC": 1433,
"C[NH+](C)": 1434,
"=OCC(C)": 1435,
"c1ccs": 1436,
"C(=O)C3": 1437,
"=[N-]": 1438,
"c3[nH]": 1439,
"c2)c(": 1440,
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"O)C(O)": 1442,
"CC1)N": 1443,
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"C1CCCC1": 1446,
"OCC1)": 1447,
"C=C(": 1448,
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"Cl)c(Cl)": 1450,
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"[NH+]=C(N)": 1457,
"[NH+]3": 1458,
"nc5": 1459,
"1CN(C)": 1460,
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"F)cc3": 1463,
"CCCCC3": 1464,
"=O)n": 1465,
"4)cc3)": 1466,
"1Cc1c(": 1467,
"CCC)": 1468,
"=CC(C)": 1469,
"CC1(O)": 1470,
"CCN1CC": 1471,
"1O=C([O-])": 1472,
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"c1nn(C)": 1474,
"C1O=C(": 1475,
"O=C([O-])C": 1476,
"(CCO)": 1477,
"F)cc1C": 1478,
"Cl)cc1Cl": 1479,
"2C=CC": 1480,
")N(C": 1481,
"F)CC": 1482,
"c1cc(CC": 1483,
"CCC2CC": 1484,
"c1nnc(C": 1485,
"c1nc(C)": 1486,
"sc2c1": 1487,
"c(F)c2": 1488,
"c2sc(": 1489,
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"oc3": 1491,
"Cl)cc1C": 1492,
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"C12": 1500,
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"[NH2+]C2CC": 1502,
"2)N1CC": 1503,
"OC)cc(": 1504,
"N1CCN(": 1505,
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"F)cc1CC": 1511,
"Cl)cc1CC": 1512,
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"OCC1C": 1514,
"cccc1Cl": 1515,
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"CCCC)": 1517,
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")c6": 1519,
"CC1CCCO": 1520,
"Oc1cc(": 1521,
"c1=O)": 1522,
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"c4cn": 1525,
")c1CC": 1526,
"c2no": 1527,
"c2csc(": 1528,
"c2c(N": 1529,
"#N)C": 1530,
"C(F)(": 1531,
"c2sccc2": 1532,
"c1ccsc1": 1533,
"(C(": 1534,
"O1C": 1535,
"(C(C)": 1536,
"2CC(=O)": 1537,
"cc1F": 1538,
"CCC2)": 1539,
"1CCC[NH2+]": 1540,
"4)c(": 1541,
"c1[nH+]": 1542,
"[NH3+]C1CC": 1543,
"C2)cc1": 1544,
")C1CO": 1545,
"1F": 1546,
"5)CC": 1547,
"C([NH2+]": 1548,
"c1cc(Br)": 1549,
"CCCOCC": 1550,
"Cc1cc2": 1551,
"O2": 1552,
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"c1ccc2[nH]": 1554,
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"c1cc(C2": 1560,
"cc1OCC": 1561,
"NC(=S)N": 1562,
"C1=CC": 1563,
"[NH2+]CCCC": 1564,
"N(c2n": 1565,
"c3ncn": 1566,
"c4)n": 1567,
"[n+]1": 1568,
"OCCC(C)": 1569,
"#N)CC": 1570,
"C1(CC": 1571,
"N(CCCC": 1572,
"F)ccc3": 1573,
"C[NH3+]": 1574,
"c3=O)": 1575,
"OCC3": 1576,
"C(C)C2": 1577,
"5)C": 1578,
"C2)n": 1579,
"c2cccn": 1580,
"c3)cc2": 1581,
"C2C3": 1582,
"cn1)": 1583,
"c2ccnc(": 1584,
"C)C(=O)": 1585,
"(C=O)": 1586,
"sc(N": 1587,
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"c1cnc[nH]": 1599,
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"O)ccc1": 1603,
"N)cc": 1604,
"O=[N+]([O-])": 1605,
"2CCC(C)": 1606,
"CCC(CC": 1607,
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"c2nc(C)": 1609,
")s": 1610,
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"[NH2+]CC(O)": 1612,
"F)cn": 1613,
"c2C": 1614,
"[nH]1": 1615,
")nc1": 1616,
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"(=O)OCC": 1618,
"OCCC1": 1619,
"#N)n": 1620,
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")c(F)": 1622,
"[NH2+]CC(C)": 1623,
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"C(=C)": 1625,
"c(N3CC": 1626,
"O=c1": 1627,
"(C)CO": 1628,
"1COC": 1629,
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"[NH3+])N": 1632,
"=S)n": 1633,
"1COc1cc": 1634,
"c9": 1635,
"CC(C)O": 1636,
"-3": 1637,
"n2c(C": 1638,
"NC(=[NH+]": 1639,
"C(OC2": 1640,
"C2)c1": 1641,
"(CC)C": 1642,
"(C)(": 1643,
"Br)CC": 1644,
"n1ccc(": 1645,
"CC[NH+]1CC": 1646,
"=OCCCC": 1647,
"1C=C(": 1648,
"3C2": 1649,
"3CC(": 1650,
"3)no": 1651,
"I)c(": 1652,
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"O=C(CS": 1655,
"2CC1": 1656,
"5)c": 1657,
"2)cc1Cl": 1658,
"c(Br)": 1659,
"c1cn(": 1660,
"C(O)CC": 1661,
"CC(O)C": 1662,
"c1cc(O": 1663,
"2)CCCC": 1664,
"6)": 1665,
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"[N+](": 1668,
"C)C2": 1669,
"Nc1nc(": 1670,
"F)c(C": 1671,
"nc1C": 1672,
"=O)c(": 1673,
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"c2nc3c(": 1675,
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"Br)s": 1677,
"n1ccnc1": 1678,
")cc2)cc": 1679,
"o2)cc1": 1680,
"c1nnn": 1681,
"cccc1C": 1682,
"c1n[nH]": 1683,
"C)cc1CC": 1684,
"c3)CC2)": 1685,
"[NH+]2": 1686,
"3)cc1CC": 1687,
"F)C1CC": 1688,
"ccccc8": 1689,
"c(=O)n(": 1690,
")NC1CC": 1691,
"SS": 1692,
"C(C)[NH2+]": 1693,
"c2n1C": 1694,
"B(O)": 1695,
"c(C#N": 1696,
"nn3": 1697,
"c(C3CC": 1698,
")n2": 1699,
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"N1CCC(": 1701,
"n1ncc(": 1702,
"3)C2)": 1703,
"c2)s": 1704,
"c1noc(": 1705,
"C=C(C)": 1706,
"[nH+]cc": 1707,
"SC1CC": 1708,
"(F)C": 1709,
"C(CCC": 1710,
"c1cc(O)": 1711,
"[NH3+])C1CC": 1712,
"2)ccc1Cl": 1713,
"F)cc(F)": 1714,
"c5ccc": 1715,
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")C1=OC": 1717,
"Br)ccc1": 1718,
"nc2c1": 1719,
"c2)C1": 1720,
"CC1CC(": 1721,
"c(NCC": 1722,
"C([NH3+])CC": 1723,
"2CC2": 1724,
"F)c3": 1725,
"[nH]c2c1": 1726,
"1(=O)": 1727,
"2)c1CCO": 1728,
"n1C)": 1729,
"ccn1": 1730,
"cc(Br)": 1731,
"nc2)": 1732,
")cc1O": 1733,
"4)CC3)": 1734,
"cc1Br": 1735,
"C(Br)": 1736,
"[NH+]3CCCC": 1737,
")C1=OCC": 1738,
"cn[nH]": 1739,
"2CCCC2)": 1740,
"O)c(O)": 1741,
"C(C)CCO": 1742,
"[NH2+]C(C)C)": 1743,
"N#C": 1744,
"c12C": 1745,
"N=N": 1746,
"[nH]c4": 1747,
"n(C)c1": 1748,
"ccn2": 1749,
"(C#": 1750,
"c2)ccc1": 1751,
"C)c(": 1752,
"Cc1nc(": 1753,
"OC(=O)C": 1754,
"cnc4": 1755,
"C(O)C(": 1756,
"C(C)(CC": 1757,
"CC)c1": 1758,
"c3)cc": 1759,
"c(N)c(": 1760,
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"s2)cc1": 1762,
"N(C)C)": 1763,
"c1cnn(": 1764,
"c1C=CC": 1765,
"c(CO)": 1766,
"3CC[NH2+]CC": 1767,
"c2cc(Cl)": 1768,
"c3c(F)": 1769,
"2)c1CCC": 1770,
"c3)C": 1771,
"1)=[NH+]": 1772,
"[NH+]2CCN(": 1773,
")C3)": 1774,
")cc(N": 1775,
"4C)": 1776,
"1C1": 1777,
")N(C)": 1778,
"F)ccc2": 1779,
"c2ccccn": 1780,
"3)cs": 1781,
"n2nn": 1782,
"2)cc1F": 1783,
")C(=O)[O-]": 1784,
"nc(N)n": 1785,
"c(C)cc1": 1786,
"c2nccc": 1787,
"F)n": 1788,
"C)C1CC": 1789,
"Nc1ncc(": 1790,
"1O=C([O-]": 1791,
"S2": 1792,
"1C[NH+]1CC": 1793,
"#[N+]": 1794,
"c(=O)c1": 1795,
")ccc1F": 1796,
"cn3": 1797,
"CC(CC)": 1798,
"3)c2)": 1799,
"cccn2)": 1800,
"c2noc(": 1801,
"C2CCCCC": 1802,
"cccnc1": 1803,
"COC1CC": 1804,
"4C": 1805,
"3CCCC3)": 1806,
"C(N)=O": 1807,
"O)C1CC": 1808,
"OO": 1809,
"F)c(N": 1810,
"N(CCC)": 1811,
"3)cc(": 1812,
"[NH+]1C": 1813,
"nc12": 1814,
"CCCC1C": 1815,
"C#N)": 1816,
"C(CS": 1817,
"c(F)c1C": 1818,
"N4": 1819,
"C)CC2)": 1820,
"c(=O)n1": 1821,
"c2n[nH]": 1822,
"4c3": 1823,
"CC(=C": 1824,
"CC1CC1": 1825,
")C1CC1": 1826,
"1CN(C": 1827,
"3)[nH]": 1828,
"c1[nH]c(": 1829,
"CC2(": 1830,
"(O)CC": 1831,
"CCCN1": 1832,
"NC3": 1833,
"=CC=": 1834,
"CC2CCCC": 1835,
"C(=CC": 1836,
"(=O)N(C": 1837,
"N#Cc1": 1838,
"c1sccc1": 1839,
"[N+]([O-])": 1840,
"oc(=O)": 1841,
"CC([NH2+]": 1842,
"C1(C)CC": 1843,
"n1nccc1": 1844,
"ccc7": 1845,
"3)CC2)n": 1846,
"CCCOC": 1847,
"NC(=S": 1848,
")c1CO": 1849,
"N(C)CC": 1850,
"COC1": 1851,
"C2=O)cc": 1852,
"4ccccc4": 1853,
"Br)cc1C": 1854,
"1CCOCC": 1855,
"[NH+]=C(NCC": 1856,
"CCC([NH3+])": 1857,
"=C4": 1858,
"CC(C)(": 1859,
"c2nnc(C": 1860,
"n2CC": 1861,
"(C3CC": 1862,
"NCCC": 1863,
"2)cs": 1864,
"n2ccc(": 1865,
"2CC[NH2+]CC": 1866,
"Cc1csc(": 1867,
"CC(C)C": 1868,
"c1c[nH+]": 1869,
"c21C": 1870,
"c(c5": 1871,
"ccs": 1872,
"C(CN": 1873,
"C(=O)N3": 1874,
"c1cccs1": 1875,
"Cl)C1CC": 1876,
"4)C3": 1877,
"N1CC[NH+](C": 1878,
"c(OCC": 1879,
"O)cc2)": 1880,
"[NH2+]CCO": 1881,
"c2nccc(": 1882,
"N#CC(": 1883,
"n2ccnc2": 1884,
"CCCC3)": 1885,
"ccnc2": 1886,
"CCCCCO": 1887,
"n2ccc": 1888,
")c1nc(": 1889,
"CCC1)": 1890,
"c5cc(": 1891,
"1CCCN(": 1892,
"=NC(": 1893,
"1CC1C": 1894,
"C(=O)[O-]C": 1895,
")[nH]": 1896,
"OC)cc1": 1897,
"ccc(C)": 1898,
"Cl)c1)": 1899,
"[NH3+]C(": 1900,
"C(C)CN": 1901,
"c(CN": 1902,
"Nc1c(": 1903,
"2CCCC(": 1904,
"c2ccn": 1905,
"=NC": 1906,
"Cl)c4": 1907,
"ncc3": 1908,
"C(S": 1909,
")cc(C)": 1910,
"5c(": 1911,
"c5cccc": 1912,
"[nH]c2=O)": 1913,
"c2n(": 1914,
"ClCC(C)": 1915,
"CCc1n": 1916,
"c6ccc(": 1917,
"OCC)c1": 1918,
"C6": 1919,
"CCC[NH2+]C": 1920,
"=O)cc2": 1921,
"(F)(F)": 1922,
"SC(=C": 1923,
"OC1CC(": 1924,
"CC2CCCO": 1925,
"CCC3)": 1926,
"C(C)C1": 1927,
"OCC1O": 1928,
"1CCC1": 1929,
"=C([O-]": 1930,
"CC1CCC(": 1931,
"c(C)n1": 1932,
"=CO": 1933,
"3)c2)c1": 1934,
"c1c2c(": 1935,
"OP": 1936,
"C2)C": 1937,
"c1cco": 1938,
"C(CCO)": 1939,
"SC(C)": 1940,
"[NH2+]C(CC": 1941,
"c1nccc(": 1942,
"sccc1": 1943,
"c(C)cc(": 1944,
"CCCC4": 1945,
"cc2)": 1946,
")C2C": 1947,
")C4": 1948,
"[NH2+]Cc1cc": 1949,
"3CC(C": 1950,
"2CCC1C": 1951,
"C[NH2+]C1CC": 1952,
"2(C)": 1953,
"s2)c1": 1954,
"=C(CC": 1955,
"4)cc2": 1956,
"c2)cn": 1957,
"CC([NH3+])C": 1958,
"ccc(=O)": 1959,
"(CCC)": 1960,
"Br)ccc2": 1961,
"O3)": 1962,
"ccc3C)": 1963,
"c1cnn": 1964,
"c(C[NH+]": 1965,
"c2cncc(": 1966,
"CCC2C": 1967,
"OC)ccc2": 1968,
"c1C[NH2+]": 1969,
"c2cnc(N": 1970,
"C1=C": 1971,
"c2ccsc2": 1972,
"c2cnc(": 1973,
"3CO": 1974,
"c4cccn": 1975,
"NC(=O)O": 1976,
"2Cc1cc(": 1977,
"4CCC": 1978,
"n2)n": 1979,
"C1=[NH+]": 1980,
"C(C[NH3+]": 1981,
"=C(Cl)": 1982,
"C2CCN(": 1983,
"2(CC": 1984,
"[NH2+]Cc1cc(": 1985,
"F)c2": 1986,
"c(CS": 1987,
")ccc1Cl": 1988,
"C(CC)C": 1989,
"O=C1N": 1990,
"C(=[NH2+]": 1991,
"c1cnc(C": 1992,
"[NH2+])": 1993,
"c2cco": 1994,
"3)nc1": 1995,
"c1C#": 1996,
"1)C(C)": 1997,
"C(C)[NH3+]": 1998,
"=CC3": 1999,
"nc(NC": 2000,
"C(O)C3": 2001,
"c(=O)n3": 2002,
")no": 2003,
"cccc5": 2004,
"C2CO": 2005,
"2)cc1)": 2006,
"c1nc(Cl)": 2007,
"=O)cc(": 2008,
"c1CS": 2009,
"c1ncc(C": 2010,
"[NH2+]C3": 2011,
"CO=C(N": 2012,
"cc(Br)c1": 2013,
"CCC(C": 2014,
"cc1N": 2015,
"[NH3+]C(C": 2016,
"c3nnc(": 2017,
"1CC(O)": 2018,
"1C2CC": 2019,
"1CC1)": 2020,
"[NH+](CC)": 2021,
"[NH+](CCC": 2022,
"n12": 2023,
"C1OC(": 2024,
"C[NH2+]C": 2025,
"OC)c3": 2026,
"o2)c1": 2027,
"(S": 2028,
"SCC(=O)": 2029,
"S1(=O)": 2030,
"C2)C1": 2031,
"O)C2": 2032,
"CNc1n": 2033,
"c2noc(C": 2034,
"2)c1N": 2035,
"c2c(O)": 2036,
"s1O=C(": 2037,
"nc2s": 2038,
"OC)c(C": 2039,
"cnn2": 2040,
"c2sc3c(": 2041,
"c3o": 2042,
"[O-])cc": 2043,
"c2)o": 2044,
"1C[NH+](C)": 2045,
"CCC5": 2046,
"c(Cl)c2": 2047,
"CCCN2": 2048,
"2)c1F": 2049,
"C(C2": 2050,
"3CCC(C": 2051,
"c2cnn(": 2052,
"c1ccc(I": 2053,
"C(C)C)n": 2054,
"2)n[nH]": 2055,
"SCC2": 2056,
"ccnc1": 2057,
"c2[nH+]": 2058,
"#N)c(": 2059,
"C1OCC": 2060,
"c1cn2": 2061,
"c4)CC": 2062,
"nnc2": 2063,
"3)ncn": 2064,
"2)C(": 2065,
"Cc2ccc(": 2066,
"2)n1CO": 2067,
"n3C)": 2068,
")C1O": 2069,
"1CCCC1C": 2070,
"n1CC(C)": 2071,
"COC(": 2072,
"CCC(CC)": 2073,
"CCC1CO": 2074,
"Oc2cc(": 2075,
"F)C1": 2076,
"c3ncc(": 2077,
"sc4": 2078,
"3)cc1C": 2079,
"nc(N)": 2080,
"C(=O)NN": 2081,
"O)cc1)": 2082,
"Oc1cc(C": 2083,
"c1noc(C": 2084,
"CC1=C(": 2085,
"c3cs": 2086,
"c(F)c1F": 2087,
"c4cccc5": 2088,
"C3O)": 2089,
"=OCCC": 2090,
"o2)cc": 2091,
"[N+]1": 2092,
")c1c(": 2093,
")n1C": 2094,
"n1ccn": 2095,
"C1CCCN(": 2096,
"nc(Cl)": 2097,
"c3cc4c(": 2098,
"c2cn3": 2099,
"FCC(C)": 2100,
"C1CC[NH+](C": 2101,
"=C(S": 2102,
"c(=O)c3": 2103,
"COCCO": 2104,
"5)cc4": 2105,
"CC2)c1": 2106,
")CC(C)": 2107,
"Cc1s": 2108,
"CC1CCN(": 2109,
"Cl)c(C": 2110,
"CCN(CC": 2111,
"OC2CC": 2112,
"c2c1CO": 2113,
"O=c1[nH]": 2114,
"C=CC(": 2115,
"1CO=C(": 2116,
"=S)[nH]": 2117,
"C)CC1CC": 2118,
"N#Cc1cc": 2119,
"COc1c(": 2120,
"=O)c2": 2121,
"([O-])c1": 2122,
"c1c(O)": 2123,
"1Cl": 2124,
"c1ccc2o": 2125,
"s2)cc": 2126,
")N1CCN(": 2127,
"cc2)cc1": 2128,
"COC)": 2129,
"C[NH2+]CC": 2130,
")cc3C)": 2131,
"4)c4": 2132,
"c1C[NH+]1CC": 2133,
"[N+](C)": 2134,
"(C[NH3+]": 2135,
"N1CCCC1": 2136,
"(C4": 2137,
"CCN2": 2138,
"[NH+]1CCCC1": 2139,
"3)C1CC": 2140,
"3)c(C)": 2141,
"=O)ccc1": 2142,
"C(O)(C": 2143,
"CC(Cl)": 2144,
"c(C=O)": 2145,
"N#CC": 2146,
"cnn1": 2147,
"(C)CCO": 2148,
"c(N)c2": 2149,
"c3cc(Cl)": 2150,
"[n+]2": 2151,
"BrCC": 2152,
"n3)CC": 2153,
"OCCO)": 2154,
"6)cc": 2155,
"NC(N)=[NH+]": 2156,
"SC3": 2157,
"[NH2+]CC2)": 2158,
"CC([NH3+]": 2159,
"s1CC(C)": 2160,
"(C)CC(": 2161,
"=C([NH3+])": 2162,
"N2CCCC2": 2163,
"n3ccn": 2164,
"O)c2": 2165,
"CC)n": 2166,
"C1CC1CC": 2167,
"CCCN1CC": 2168,
"2CCCO": 2169,
"c3n2": 2170,
"OCc1cc(": 2171,
")N1CCC(": 2172,
"4)nc3": 2173,
"2CC2)n": 2174,
"Nc1cn": 2175,
"Fc1ccc(": 2176,
"o1CO": 2177,
"OCO=C(": 2178,
"2CCC(C": 2179,
"1O=C": 2180,
")ncn": 2181,
"C1=N": 2182,
"OC5": 2183,
"1C[NH+](C": 2184,
"(CC(C)": 2185,
"C)ccc1": 2186,
"c1C#N": 2187,
"c3cc(C": 2188,
"OC)cc2": 2189,
"#CC#CC": 2190,
"N)c2": 2191,
"c1OC": 2192,
"CC[NH3+]": 2193,
"2=C(": 2194,
"n2)CC1C": 2195,
"3)C2=O)": 2196,
"=C(NCC": 2197,
"[NH+]3CCOCC": 2198,
"3)CC1": 2199,
"C(N)=OC": 2200,
"cc6": 2201,
"n2c1": 2202,
"c1cn(C": 2203,
"C(C=O)": 2204,
"(C1)": 2205,
"CC(=O)O": 2206,
"3)nc(": 2207,
"4C3": 2208,
"nc(=O)": 2209,
"5)c4": 2210,
"c3c(Cl)": 2211,
"BrCO": 2212,
"C(NN)": 2213,
"3)O": 2214,
"CC2CCC": 2215,
"n2ncc": 2216,
"Sc1nnc(": 2217,
")c[nH+]": 2218,
"c5cc": 2219,
"cs1CC": 2220,
"n6": 2221,
"CC(OC)": 2222,
"N1CCOCC": 2223,
"n2cccc": 2224,
"Oc1c(": 2225,
"c1Cc1n": 2226,
"1Cc1nc(": 2227,
")c1)": 2228,
"1(C": 2229,
")cc2)c1": 2230,
"[NH+]2CCC(": 2231,
"CN(CC": 2232,
"5ccccc5": 2233,
"[NH3+]CC1CC": 2234,
"1CCCN": 2235,
"[NH+]2CCC": 2236,
"cccn2": 2237,
"2)nc1C": 2238,
"c1)C": 2239,
"3)c2)CC": 2240,
"CC(C)CC": 2241,
"C1CCCCC": 2242,
"Nc1ncn": 2243,
"C2C)": 2244,
"C1OC": 2245,
"n1c(=": 2246,
"CN#": 2247,
"C(C)CC)": 2248,
"Cl)C1": 2249,
"=[NH+]C": 2250,
"4)o": 2251,
"C(=O)C4": 2252,
"C1CCCC(": 2253,
"Br)cc1CC": 2254,
"=CCC1": 2255,
"2)nc1CC": 2256,
"c2)C1CC": 2257,
"c%10": 2258,
"=OCCO": 2259,
")cc6": 2260,
"2C(=O)N": 2261,
"N2CCC": 2262,
"c3c[nH]": 2263,
"n2)CC1": 2264,
"3)c1C": 2265,
"(=O)=O": 2266,
"c(C[NH2+]": 2267,
"oc2c1": 2268,
"CCCO2)": 2269,
"C(=O)CN": 2270,
"c(C)cc2": 2271,
"1Cc1cn": 2272,
"OCc1n": 2273,
"2CS": 2274,
"[NH+]1CCC(C": 2275,
"c(Br": 2276,
"#N)cc1": 2277,
"2)C(=O)": 2278,
"O=C(Cn1": 2279,
"O)ccc2": 2280,
"1CC1(": 2281,
"OCC2CC": 2282,
"=OCC(": 2283,
"#NC": 2284,
"(C)C)c1": 2285,
"F)c1C": 2286,
"nn1C": 2287,
"C3)CC": 2288,
"cccnc4": 2289,
"n1O=C(N": 2290,
"CC1CCC[NH2+]": 2291,
")cc2)n": 2292,
"c5ccc6": 2293,
"C1OC(C)": 2294,
"CC(=N": 2295,
")CCCC": 2296,
"OCCN": 2297,
"2C[NH2+]": 2298,
"c4nc(": 2299,
"=NC(=O)": 2300,
")=[NH+]": 2301,
"OC)C2": 2302,
"c2ccc(I": 2303,
"SCCC(": 2304,
"c3)ccc2": 2305,
"CCOC": 2306,
"Cl)N": 2307,
"Cl)c(N": 2308,
"(CC2)": 2309,
"3)cc2)n": 2310,
"3)c2C)": 2311,
"=S(=O)": 2312,
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"C2CC3": 2373,
"c(C)o": 2374,
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"O=C1C": 2376,
"c(C)c(C": 2377,
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"c2cc1O": 2382,
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"c1cc[nH+]": 2384,
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"c4s": 2389,
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"c2cncc": 2402,
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"CC(F)F)": 2404,
"CCCCC)": 2405,
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"1OCCC": 2407,
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"sc1C": 2409,
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"s3)CC": 2420,
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"Cl)CC2)": 2425,
"c5c(": 2426,
"OC(F)F": 2427,
"c1co": 2428,
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"=[NH+]C)": 2454,
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"c(C2CCC": 2458,
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")cc3)cc": 2480,
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")C3=O)": 2485,
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"nn2C)": 2491,
"c2nn(": 2492,
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"c(C)c3": 2494,
"3CC(C)": 2495,
"c2cn(C)": 2496,
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"3)c(=O)": 2506,
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"c4)cc3": 2509,
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")cc2c1": 2512,
"Sc2nn": 2513,
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"3)c2)n": 2515,
"n2cncn": 2516,
"CC(S": 2517,
"(O)C": 2518,
"N)CC": 2519,
"NCC(C)": 2520,
"CCCc1n": 2521,
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"cccc6": 2523,
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"2)nc(": 2525,
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"c4cc5": 2527,
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"c(C)n2": 2532,
"2)no1CC": 2533,
"c(c4)": 2534,
"C1)C1CC": 2535,
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"=CCC2": 2547,
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"C)C": 2549,
"2)[nH]": 2550,
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"4)CC2)": 2562,
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"c3cccn": 2564,
"2(C": 2565,
"nc12CC": 2566,
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"cccs": 2569,
"2)c(OC)": 2570,
"C(OCC": 2571,
"NC(=S)": 2572,
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")C1=O)": 2578,
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"4)c3)": 2580,
"[nH]3)": 2581,
"c1oc(": 2582,
"s1)C1CC": 2583,
"2CC(C": 2584,
"NCC(": 2585,
"c1sc(N": 2586,
"cnn1CC": 2587,
"c1ccoc1": 2588,
"n1)CC": 2589,
"CCCC[NH2+]": 2590,
"c(C)n1C": 2591,
"ccccc9": 2592,
"CCCNc1n": 2593,
"n3c2": 2594,
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"NCC1CC": 2599,
"Cl)CC1CC": 2600,
"c1=OCC": 2601,
"CC5": 2602,
"O)cc3": 2603,
"C2CCOCC": 2604,
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"c2cnn3": 2611,
"c2c[nH+]": 2612,
"C(O)CC2": 2613,
"=[N+]=[N-]": 2614,
"cn1CO": 2615,
"NC(C": 2616,
"nc1N": 2617,
"CC2)C": 2618,
"c(N(C)": 2619,
"4)s": 2620,
"c1cnn(C": 2621,
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"O)cc1CC": 2623,
"o1CC(C)": 2624,
"2Cc1cc": 2625,
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"OCC)c(": 2629,
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"C[NH2+]C(C)": 2632,
"=C(NC": 2633,
"c1N1CC": 2634,
"1COc1c(": 2635,
"=NO": 2636,
"nc(c4": 2637,
"O1)": 2638,
"(CS": 2639,
"c(c6": 2640,
"n1N": 2641,
"=OCC1": 2642,
"C(=N)": 2643,
"C)C1": 2644,
"c5cccc(": 2645,
"c2scc(": 2646,
"C(C)S": 2647,
"[NH2+]CC(": 2648,
"CC2C": 2649,
"[C-]#[N+]": 2650,
"c2C)cc": 2651,
"c2ccc(S": 2652,
"CCC[NH3+])": 2653,
"=[NH+]CC": 2654,
"c1c(N)n": 2655,
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"C(O)CO": 2657,
"C2)C1CC": 2658,
")CS": 2659,
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"c2n[nH]c(": 2661,
"n1c(SC": 2662,
"c(cc2": 2663,
"ccn1CC": 2664,
"2O=C(N": 2665,
"[NH+](C)CCC": 2666,
"1CC2": 2667,
"Br)cc(C": 2668,
"CO=": 2669,
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"[O-])c2": 2672,
"c3F)": 2673,
"c4ccncc": 2674,
"n1c(N": 2675,
"4)c": 2676,
"[NH+](C2CC": 2677,
"CC2(CC": 2678,
"SCC(": 2679,
"OC2(CC": 2680,
"NC(NC": 2681,
"1CC([NH3+])": 2682,
"C2CC(": 2683,
"F)cc1Cl": 2684,
"Sc2ccc(": 2685,
"c3sccc3": 2686,
"s2)C": 2687,
"C=CC1": 2688,
"N=C(C)": 2689,
"=N)": 2690,
"C1C(O)": 2691,
"CCCC(C": 2692,
"C=C2": 2693,
"c([O-])": 2694,
"c2nc(Cl)": 2695,
"[NH3+]CCC": 2696,
"c(O)c1": 2697,
"Cl)n2": 2698,
"(O)(": 2699,
"c3sc(": 2700,
"C3CCC": 2701,
"(CCOCC": 2702,
"=[NH2+])": 2703,
"nc(NCC": 2704,
"4CC(": 2705,
"Cl)N1CC": 2706,
"[NH+]=C2": 2707,
"2CC(O)": 2708,
"3ccccc3": 2709,
"c2cc(Br)": 2710,
"cc[nH+]": 2711,
"Br)C1CC": 2712,
"[N-]=[N+]": 2713,
"cnc5": 2714,
"nnn1": 2715,
"Nc2n": 2716,
"c1C[NH3+]": 2717,
"n1cnnc1": 2718,
"C1[NH3+]": 2719,
"C1CC1)": 2720,
"c2)cc(": 2721,
"N)cn": 2722,
"5CCOCC": 2723,
"2CC1CC": 2724,
"3)C(": 2725,
")C1CC(": 2726,
"([NH3+])C": 2727,
"[nH]ncc": 2728,
"c2c(OC)": 2729,
"CCOc1c(": 2730,
"SCCCC": 2731,
"CCC[NH2+]C(": 2732,
"c3ccs": 2733,
"CC1N": 2734,
"(CO)C": 2735,
"1O=C(CC": 2736,
"1O=C(CS": 2737,
"n1ncn": 2738,
"SCCS": 2739,
"CC1[NH3+]": 2740,
"c2ccc(Br": 2741,
"1CCC2": 2742,
"[NH3+])cc1": 2743,
"nc2C)": 2744,
")cc(OC)": 2745,
"cs1)": 2746,
"c2c(N)n": 2747,
"C[NH+]=C(N": 2748,
"n3c(": 2749,
"c2c([nH]": 2750,
"C3CCC4": 2751,
"ccc8": 2752,
"=Cc2cc(": 2753,
"CC2)cc": 2754,
"3)c2c1": 2755,
"n1ncc2": 2756,
"N(C)C": 2757,
"SC)cc": 2758,
"c2nnnn2": 2759,
"c1nc(CC": 2760,
"n2ccc3": 2761,
"n3cc(": 2762,
"C(C[NH3+])C": 2763,
"OC(CC": 2764,
"c2nc[nH]": 2765,
"CCCC(O)": 2766,
"CC2)n": 2767,
"nnc(C": 2768,
"c1cc(I": 2769,
"CCC2C3": 2770,
"c5)": 2771,
"c2)c": 2772,
"C(OC3": 2773,
"cs2)": 2774,
"CC[NH2+]CC": 2775,
"3)n2)c1": 2776,
"OC)c1C": 2777,
"OCCO3)": 2778,
"n2nc(C": 2779,
"5CCCCC": 2780,
"nc12C": 2781,
"=NCC": 2782,
"F)C2": 2783,
"c2nc1": 2784,
"4)ccc2": 2785,
"2=O)": 2786,
"nn2)": 2787,
"ccccc34": 2788,
"(C=C": 2789,
"3F)": 2790,
"s2)cc1C": 2791,
"#CCC": 2792,
"c3c4": 2793,
"C(O)CC1": 2794,
"Cl)(Cl)": 2795,
"Br)c(C)": 2796,
"I)c2": 2797,
"=NN(": 2798,
"C([NH2+]C)": 2799,
"n1nnc(": 2800,
"[NH3+]C1(": 2801,
"([O-]": 2802,
"c1ccn(C": 2803,
"[nH]2)c1": 2804,
"(CCl)": 2805,
"C1CCCC": 2806,
"1C2CCC": 2807,
"Oc2c(": 2808,
"csc1": 2809,
"4=O)": 2810,
"csc(C": 2811,
"CCCC2CC": 2812,
"C)C(C)": 2813,
"c1cn(C)": 2814,
"3)CCCC": 2815,
"C(C2)": 2816,
"cccc1F": 2817,
"c2-": 2818,
"N5": 2819,
"c3cc(N": 2820,
"F)cc1)": 2821,
"Cl)c3)": 2822,
"2CCOC": 2823,
"c%11": 2824,
"CC([NH3+])CC": 2825,
"c1ccccn": 2826,
")NCC": 2827,
"Nc1nnc(": 2828,
"CCCN(C": 2829,
"[NH3+])C1": 2830,
"Cc1c(C)": 2831,
"c2)CC1C": 2832,
"N(CCO": 2833,
"o2)cc1C": 2834,
"c32)": 2835,
"1CC[NH+](C": 2836,
"N3C(=O)": 2837,
"1COCCC": 2838,
"[NH3+]C": 2839,
"c3ncccn": 2840,
"3)C(=O)": 2841,
"1C=CC(": 2842,
"nc6": 2843,
"c2cc(O": 2844,
"Cl)cc4": 2845,
"[NH+]1": 2846,
"CC1CC1)": 2847,
"C(=C(": 2848,
"Br)ccc3": 2849,
"cccc1O": 2850,
"CCCC2C": 2851,
"C(C[NH3+])CC": 2852,
"3O": 2853,
"Cl)C(=O)": 2854,
"Cc1nc(C": 2855,
"CC1COCC": 2856,
"4CC4)n": 2857,
"2CCC1": 2858,
"1)NC1CC": 2859,
"c1CCC(": 2860,
"c2c1cc": 2861,
"[NH+]1CCCC(": 2862,
"1Cc1no": 2863,
"c1nnc(N": 2864,
"n2)cc": 2865,
"=O)C2": 2866,
"C(C)=O": 2867,
"O)C3": 2868,
"c1ccnn": 2869,
"=O)cc1O": 2870,
"[nH]nc(": 2871,
")C1(C)": 2872,
"CC1CCO": 2873,
"c(C[NH+]2CC": 2874,
"NC2=O)": 2875,
"CCCCC(": 2876,
"[NH+]2C": 2877,
"#N)cn": 2878,
"c1c(OC)": 2879,
"C2(CCCC": 2880,
"c2cn[nH]c2": 2881,
"C3CC4": 2882,
"c1c(Br)": 2883,
"2CCC1CC": 2884,
"2)ccc1O": 2885,
")ccc1Br": 2886,
"4)c3)n": 2887,
"=Cc1cc(": 2888,
"1O=C1": 2889,
")C1CC1C": 2890,
"cc(O)": 2891,
"C3C4": 2892,
"C)cc(": 2893,
"c2)CC1": 2894,
"C3=C(": 2895,
"c4[nH]": 2896,
"[nH]2)cc1": 2897,
"OC1CO": 2898,
"[NH3+])cc": 2899,
"c-2": 2900,
"4(": 2901,
"[NH2+]1CC": 2902,
"5c4": 2903,
"NCCCC": 2904,
"C1CC2": 2905,
"n3)C": 2906,
"CNc1cc(": 2907,
"O=C(CO": 2908,
"3C4": 2909,
"1)O": 2910,
"c1cn[nH]c1": 2911,
"3CCC4": 2912,
"[nH]c(=S)n": 2913,
"C(N)=S)": 2914,
"1CCC1CC": 2915,
"[nH]c(=S": 2916,
"C1O=C(N": 2917,
"C1=OCO": 2918,
"c2n1": 2919,
"C3)C": 2920,
"c1cc(N2": 2921,
"ncnc(N": 2922,
"C)cc2": 2923,
"F)ccc4": 2924,
"CCC1CCC": 2925,
"[nH+]c1": 2926,
"c2ncnc3": 2927,
"2)c1Br": 2928,
"c2cn[nH]": 2929,
"c(C)nc2": 2930,
")C1)": 2931,
")cn": 2932,
"CCCCN": 2933,
"BrC": 2934,
"c2cc[nH+]": 2935,
"4CCCC4": 2936,
"c1occc1": 2937,
"2)C1CO": 2938,
"c2cnc[nH]": 2939,
"OC2CCCC": 2940,
"sc2c1CC": 2941,
"c2nccn2": 2942,
"[n-]n": 2943,
"c2c(Br)": 2944,
"c1c(N)": 2945,
"c1csc(N": 2946,
"OC6": 2947,
"c2c1CCC": 2948,
"C1C(=O)": 2949,
"O)O": 2950,
"N(CCOC)": 2951,
"N2CCCCC": 2952,
"Sc2nnc(": 2953,
"c4nc5": 2954,
"n2)C1CC": 2955,
"2)c1)": 2956,
"n1CCC": 2957,
"C3(": 2958,
"2CCS": 2959,
"c3nc(C": 2960,
"CC3)cc2": 2961,
"OCO2": 2962,
"2)cc2": 2963,
"Br)o": 2964,
"3)C2)n": 2965,
"cccnc3": 2966,
"Cn1cn": 2967,
"Br)c2)": 2968,
"n12CC": 2969,
"c3nc(N": 2970,
"#N)cc2": 2971,
"C(N)=": 2972,
"n3cccn": 2973,
"1C)": 2974,
"c1)CC": 2975,
"C=CC(C": 2976,
"c2)n1CC": 2977,
"N(c3n": 2978,
"=C(C#N": 2979,
"SC1=S": 2980,
"=CCCCCC": 2981,
"C(C)=OC": 2982,
"(=O)[nH]": 2983,
"1Cc1nn(": 2984,
"n1nnnc1": 2985,
"c1nnsc1": 2986,
"C(C)C1C": 2987,
"N1CC[NH+](": 2988,
"CC[NH2+]C": 2989,
"Br)N": 2990,
"n3)cc2": 2991,
"C(C)=CC": 2992,
"CC1=CC": 2993,
"OC1(": 2994,
"OCCO2": 2995,
"nc(N)c1": 2996,
"CC2(C)": 2997,
"nn(C": 2998,
"cn1O=C(": 2999,
"Cc1no": 3000,
"C[NH+](": 3001,
"[nH+]c2": 3002,
"=CCCCC": 3003,
"SCC(C)": 3004,
"F)c(Cl)": 3005,
"Cl)c2)n": 3006,
"#N)ccc1": 3007,
"C1C(C)": 3008,
"ccc1Cl": 3009,
"1NC(=O)": 3010,
"CCC(N": 3011,
"=O)o": 3012,
"n1cccc": 3013,
"4)cc2)": 3014,
"(C)n1": 3015,
"1CCCCO": 3016,
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")cc1OC": 3094,
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"[NH+]=C(N)N": 3108,
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"C(F)(F": 3212,
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"CO1)": 3214,
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"32)": 3243,
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"c4cc(C)": 3322,
")ccc1OC": 3323,
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"C1C2": 3327,
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"O)cn": 3331,
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"CCC1(": 3337,
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"c2)C1C": 3362,
"c1ccn2": 3363,
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"S1CC": 3371,
"COC1C": 3372,
"OCC)c2": 3373,
"6CC": 3374,
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"OCO2)": 3377,
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"[NH3+])C2": 3380,
"2CC2)C": 3381,
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"c1cc(N)": 3392,
"CCC3(C)": 3393,
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"C)CC1": 3395,
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"1COC1": 3397,
"n2cccn": 3398,
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"12CC": 3401,
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"3cc": 3403,
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"=CC4": 3406,
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"c1F)": 3411,
"SCC2)": 3412,
"cccc7": 3413,
"F)c1CC": 3414,
"#CCO)": 3415,
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"CCCOC)": 3417,
")cc2F)": 3418,
"=O)cc1)": 3419,
"c1n2": 3420,
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"c4)cc": 3423,
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"=CC1CC": 3426,
"c3cc(c4": 3427,
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"s2)CC1C": 3429,
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"c34": 3431,
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"C2)cc": 3433,
"C=CC=CC": 3434,
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"2CCC(O)": 3437,
"O)cc1C": 3438,
"C)CC2": 3439,
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"O)c(C)": 3442,
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"2Cc1n": 3444,
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"C)cc1O": 3446,
"C#CC": 3447,
"N=CC": 3448,
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"OC1CCCC": 3452,
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"4)no": 3457,
"OC)c1CC": 3458,
"2)C2": 3459,
"cccc1CC": 3460,
"OC2=O)": 3461,
"c1cc(CN": 3462,
"CC1)=[NH+]": 3463,
"Br)cc3": 3464,
"23": 3465,
"2CC[NH2+]CC2": 3466,
"OCC[NH+]1CC": 3467,
"Cl)n1C": 3468,
"(COC)": 3469,
"OCCC)": 3470,
"CCC4C5": 3471,
"cnc1N": 3472,
"OCCOCCO": 3473,
")N1": 3474,
"n3n": 3475,
"3)n1": 3476,
"c2ccn[nH]": 3477,
")C2CO": 3478,
"c3c(N)n": 3479,
"Cc1cn2": 3480,
"n12C": 3481,
"1CC(C)O": 3482,
"[nH+]1)": 3483,
"c2nn(C": 3484,
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"c4nn": 3486,
"(Cl)Cl)": 3487,
"FCCCC": 3488,
"c2csc(N": 3489,
"on1": 3490,
"C)c2": 3491,
")c1nnc(": 3492,
"NCc1cc(": 3493,
"2)C1=OC": 3494,
"ccc(O": 3495,
"CC12CC": 3496,
"c4ncc": 3497,
"#NCC": 3498,
"2)cc1)N": 3499,
"C(COC": 3500,
"[nH+]cc1": 3501,
"n2nnnc2": 3502,
"-3)": 3503,
"(C)n1CC": 3504,
"n1CC1": 3505,
"OCCOC)": 3506,
"C1(C)C": 3507,
"(CBr)": 3508,
"[nH]1CO": 3509,
")nc3": 3510,
"c1nnc2": 3511,
"(F)c3": 3512,
"-2C": 3513,
"Nc1cc(N": 3514,
"CCO1CC": 3515,
"c2cccn2": 3516,
"C(C)[NH3+])": 3517,
"=C3S": 3518,
"3)nn1": 3519,
"3[nH]": 3520,
"(F)(F)F": 3521,
"CC(O)C[NH+]": 3522,
"c%12": 3523,
"O=C(CCC": 3524,
"O)c(OC)": 3525,
"n1CC(": 3526,
"3)n1CC": 3527,
"N=[N+]=[N-]": 3528,
"[nH]cc(": 3529,
"C1O)": 3530,
"c(C)c1)": 3531,
"=C=O)": 3532,
"6)n": 3533,
"CCC1(C)": 3534,
"C(C)C3": 3535,
"[NH2+]C3CC": 3536,
"CC[NH2+]C(": 3537,
")C5": 3538,
"c4c(c3": 3539,
"(F)c1": 3540,
"ccc3OC)": 3541,
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"=[N+]([O-])": 3544,
"c(F)c(": 3545,
"c1ccc2s": 3546,
"CCC12CC": 3547,
"C[NH+](C)C": 3548,
"c3n[nH]": 3549,
"c2nnc(N": 3550,
"[NH+]3CCN(": 3551,
"n4cn": 3552,
"[nH]1CC(C)": 3553,
"c5c6": 3554,
"(C)C)n": 3555,
"Sc3n": 3556,
"C)s": 3557,
"3)c(F)": 3558,
"c1nnc(S": 3559,
"=CCC4": 3560,
"P)": 3561,
"c2cnn(C": 3562,
"sc2n": 3563,
"SC1C": 3564,
"2)ccc1Br": 3565,
")cs1CC": 3566,
"Cl)cc(N": 3567,
"nccc(": 3568,
"=O)c1CC": 3569,
"OC(C)CC": 3570,
"(C)(C": 3571,
"c(C)cc3": 3572,
"c2ccncn": 3573,
"ccnc1C": 3574,
"c1cc2o": 3575,
"2)C3": 3576,
"[NH+](CC(O)": 3577,
"C1=C2": 3578,
")N(": 3579,
"[NH2+]CC1)": 3580,
"nc(Cl)c1": 3581,
"4)c3c2": 3582,
"cccc12": 3583,
"ccn1C": 3584,
"c1cccc3": 3585,
"6)c5": 3586,
"sc1Br": 3587,
"C(C#N": 3588,
"Cl)cc1F": 3589,
")C1C=CC": 3590,
"c1CCC1": 3591,
"CCOCCC": 3592,
"C)C(": 3593,
"2CCCCO": 3594,
"CC1OCC": 3595,
"N(O)": 3596,
"CCO1)": 3597,
"[NH3+]C1C": 3598,
"N([O-])": 3599,
"Br)c1OC": 3600,
"[NH3+]Cc1cc(": 3601,
"c2cscn": 3602,
"sc2c1C": 3603,
"coc(": 3604,
"2CC1(C)": 3605,
"NC=O)": 3606,
")cc1CC1": 3607,
"Cl)nc2": 3608,
"CC1OC(": 3609,
"Br)cc1F": 3610,
"OC1(C)": 3611,
"C(CCSC)": 3612,
"(C)cn": 3613,
"2)C1)": 3614,
"2)cn1CC": 3615,
"1N=C(": 3616,
"6)C": 3617,
"c2)nc1": 3618,
"s1)C": 3619,
"C(C)[NH2+]C": 3620,
"C(C(C)": 3621,
"c(F)c4": 3622,
"c1Cn1": 3623,
"=CN(": 3624,
"(C)(O)": 3625,
"2)C1=O": 3626,
"C1C=CC": 3627,
"=C(C)N": 3628,
")CC3": 3629,
"SC1=[NH+]": 3630,
"C(C)CO)": 3631,
"4)nn3": 3632,
"OC)n": 3633,
"3)C2)c1": 3634,
"[NH2+]2)": 3635,
"ccncc": 3636,
"ccc4c3": 3637,
"c4c(C)": 3638,
"1Cn1cc(": 3639,
"c3csc(": 3640,
"c3no": 3641,
"C2)c1C": 3642,
"2CCCCCC": 3643,
"OCc1nc(": 3644,
"c1CN(": 3645,
"c(C4": 3646,
"CCC[NH+](C)": 3647,
"COCC[NH2+]": 3648,
"CCOC(": 3649,
"Br)cccc1": 3650,
"n3)cc": 3651,
"2)c1CN": 3652,
"O=C1CC(": 3653,
"ccc1N": 3654,
"C(O)(CC": 3655,
"COCCN": 3656,
"2)c1)N": 3657,
"2C=C": 3658,
"O)C(O)C": 3659,
"[nH]c2c1CC": 3660,
"F)cc1Br": 3661,
"C)n1CC": 3662,
"cn2)c1": 3663,
")NC(=O)": 3664,
"cn2C)": 3665,
"Cc1nnc(": 3666,
"c2sc(N": 3667,
")ccc4": 3668,
"CCC=CC": 3669,
"COC(C)": 3670,
")C2CCCC": 3671,
"c1cc2n": 3672,
"n2nc(C)": 3673,
"c2)c1CC": 3674,
"c2cc(F)": 3675,
"c1ccc3": 3676,
"C4O)": 3677,
"c1cc(OC": 3678,
"Cc1sc(": 3679,
"3)C3": 3680,
"c(C)n2)": 3681,
"=O)n(": 3682,
"cccn3": 3683,
"n1N#": 3684,
"c6c(": 3685,
"4)[nH]": 3686,
"c1c(C)[nH]": 3687,
"C(C=C": 3688,
"(CCO": 3689,
"C#N)CC": 3690,
"2CCC2": 3691,
"cn2)cc1": 3692,
"3)sc2": 3693,
"Cc1c(N": 3694,
"N)c(N": 3695,
")C1CCCO": 3696,
"C(OC4": 3697,
"Sc1nn": 3698,
"N#CC1(": 3699,
"I)n": 3700,
"OC1CCN(": 3701,
"O)N": 3702,
"CC2(C": 3703,
"C2)C1C": 3704,
")CC(=O)": 3705,
"O=C(CN": 3706,
"4)C3)": 3707,
"1(C)C": 3708,
"c1nc2s": 3709,
"C3=O)cc": 3710,
"c(C=C": 3711,
"CCC1CC(": 3712,
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"C(C)C2)": 4077,
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"3C2)": 4118,
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"ccc12": 4121,
"C1CS": 4122,
"2)n(C)": 4123,
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"c2C)c1": 4125,
"OC2C1": 4126,
"o2)CC1C": 4127,
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"c2ns": 4131,
"c2)c1CO": 4132,
"=N1CC": 4133,
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"C12CCCC": 4135,
"N)C1CC": 4136,
"C#N)c1": 4137,
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"O)c3": 4149,
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"nc3c2": 4159,
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"P1": 4162,
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"C(C)CS": 4164,
"[NH+](CCOC)": 4165,
"oc1CC": 4166,
"[nH]c5": 4167,
"6c5": 4168,
"NN=C": 4169,
"C(COC)": 4170,
"(N=C": 4171,
"CCNc1n": 4172,
"c1cn2c(": 4173,
"n2)CC": 4174,
"N2CCCC(": 4175,
"CCC6": 4176,
"c2cc(I": 4177,
"c4o": 4178,
"C(=C)C)": 4179,
"c2cc(CC": 4180,
"O=c1n": 4181,
"CCC3C2": 4182,
"F)c(C)": 4183,
"c2ncnn2": 4184,
"c2c(c(": 4185,
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"c([O-]": 4187,
"c1[nH]ncc1": 4188,
"CC1CS": 4189,
"2)CC1)N": 4190,
"ClCc1cc(": 4191,
"OCc1cn": 4192,
"CC(C[NH3+])": 4193,
"COC(C": 4194,
"NC(=[NH+]O)": 4195,
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"C1(C#N)": 4197,
"CCC3)CC": 4198,
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"C3(C)": 4207,
"OCO2CC": 4208,
"c1ccncn": 4209,
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"O[Si](C)": 4211,
"7)c6": 4212,
"c(NC3": 4213,
"n2cc(C)": 4214,
"2C#": 4215,
"=C(CC)": 4216,
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"(N)c1": 4218,
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")cc2)C": 4220,
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"C)N": 4222,
"C[NH+]=C(": 4223,
"[NH+]2C)": 4224,
"c4ncn": 4225,
"3)CCC": 4226,
"nc1Cl": 4227,
"4)c3)c2": 4228,
"C)cc1CO": 4229,
"nc23)": 4230,
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"CC(CC(": 4232,
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"c1onc(": 4234,
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"[NH3+]C(CC": 4236,
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"ccnc3": 4238,
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"=O[NH3+]": 4241,
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"[NH3+])CC2)": 4244,
"n1CCCC": 4245,
"[NH2+]1C": 4246,
"2)S": 4247,
"[S-])": 4248,
"C(CC)(": 4249,
"O)cc(O)": 4250,
"(C)N": 4251,
"n2c(CC": 4252,
"OC)cc3": 4253,
"2)CCO": 4254,
"SCCCS": 4255,
"c3[nH]c(": 4256,
"(C)c1Cl": 4257,
"OC(C)C2": 4258,
"=ON#": 4259,
"C)=[NH+]": 4260,
"C3(CC": 4261,
"c2)C(": 4262,
"Br)C2": 4263,
"Cl)cc1)": 4264,
"C(C)C[NH3+]": 4265,
"c(=O)n4": 4266,
"c2c(sc(": 4267,
"n2c(S": 4268,
"=C(C)CC": 4269,
"[NH2+]C(C)CC": 4270,
"[NH+]2CCC3": 4271,
"ncnc2": 4272,
"1CC(C)C": 4273,
"C(O)CN": 4274,
"c2occc2": 4275,
"1CCCC[NH2+]": 4276,
"CC1=O": 4277,
"C4=O)": 4278,
"cn3)": 4279,
"n2)C1C": 4280,
"c(Cl)c3": 4281,
"s4)": 4282,
"=C(Br)": 4283,
"c2)n1C": 4284,
"n1cncc1": 4285,
"c3c(O)": 4286,
"c2c(C)[nH]": 4287,
"c(C#C": 4288,
"n3nn": 4289,
"ccc1F": 4290,
"=C2CC": 4291,
"c1Cl)": 4292,
"c3)c2)": 4293,
"nc(OC)": 4294,
"3)c2c1C": 4295,
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"c2c1=OC": 4297,
"c-3": 4298,
"[nH+]cc2": 4299,
"CC1(C)O": 4300,
"OCCO2CC": 4301,
"2)c1[NH3+]": 4302,
"c23)cc": 4303,
"4)CC2": 4304,
"nn2CC": 4305,
"CC1CCCC": 4306,
"2)nc1N": 4307,
"4)c(=O)": 4308,
"1)c1cc(": 4309,
"#N)cc1C": 4310,
"[NH+](CCO": 4311,
"c1ncs": 4312,
"ccccc45": 4313,
"SC(=S)N": 4314,
"CCCCCCN": 4315,
"3C=CC": 4316,
"Cn1cc": 4317,
")cs2)": 4318,
"n2C)cc": 4319,
"CCC1CC1": 4320,
"OCCCCC": 4321,
"n2ncc(": 4322,
"CCCCS": 4323,
"c2c([O-])": 4324,
"c2cnc3[nH]": 4325,
"Cl)CC1": 4326,
"c2nnc(S": 4327,
"(C#C": 4328,
"[Si](OC)": 4329,
"N=C1CC": 4330,
"([O-])([O-])": 4331,
"C(O)C4": 4332,
"=O)cc3": 4333,
"CCC3CC": 4334,
"c4cc(Cl)": 4335,
"2)n1CC(": 4336,
"OC2(": 4337,
"=ON": 4338,
"F)CC1": 4339,
"C(CC)(C": 4340,
"(CCCCC3": 4341,
"n3cnc4": 4342,
"-c1c(": 4343,
"OCO3": 4344,
"C)C1C": 4345,
"C(C=CC": 4346,
"Cl)c1CO": 4347,
"2cccc": 4348,
"=C(CS": 4349,
")cc1[NH3+]": 4350,
"CC1=O)": 4351,
"[O-])C1CC": 4352,
"cn2c1": 4353,
"nnnc2": 4354,
"[NH3+])C(=O)": 4355,
")C1=C(": 4356,
"=CC=CCC": 4357,
"c1nnnn1": 4358,
")C1CCC[NH2+]": 4359,
"1)C(": 4360,
"F)cc1F)": 4361,
"cc(I)c1": 4362,
"3)c1CO": 4363,
"c1O=C(N": 4364,
"O)c1)": 4365,
")cs1C": 4366,
"Sc1nnn": 4367,
"c1c(I": 4368,
"C2CC[NH+](C": 4369,
"2C1C": 4370,
"NNC(=O)": 4371,
"c2ccc[nH]": 4372,
"O1CO": 4373,
"ccc9": 4374,
"CCCCO)": 4375,
"2)cn1C": 4376,
"nnc3": 4377,
"cnc(C": 4378,
"OC)c4": 4379,
")c1ncn": 4380,
"c5cc6": 4381,
"cnccc1": 4382,
"[nH]c3=O)": 4383,
"ccc3o": 4384,
"N(CC(C)": 4385,
"=CC=C2": 4386,
"3)cc1CO": 4387,
"c2cncs": 4388,
")ccc1O": 4389,
"1COCCO": 4390,
"[NH+]4CC": 4391,
"n1ncc(N": 4392,
"Sc1nc(N": 4393,
"[NH3+])ccc1": 4394,
"[Si](OCC": 4395,
")C2(": 4396,
"1CCOC1": 4397,
"[NH2+]C2CC2)": 4398,
"OCCN(C)": 4399,
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"F)c1F": 4853,
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"n2ncc3": 4901,
"C(O)CC3": 4902,
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"c8ccc(": 4904,
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"C1(F)": 4906,
"(=O)=OC": 4907,
"c1cncs": 4908,
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"c1C=C": 4911,
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"[nH]2)C": 4913,
"C1)C": 4914,
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"[NH+]1CCCCC": 4948,
"1Cc1cc2": 4949,
"Br)C1C": 4950,
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"[NH+]=C2S": 4952,
"CCN1C": 4953,
")c(C)c2": 4954,
"c1CCOCC": 4955,
"=O)cn": 4956,
"1S": 4957,
"N(CC2CC": 4958,
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"c54)": 4960,
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"c1nccs1": 4962,
"(CC)n": 4963,
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"c2ccn3": 4966,
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"CC12": 4986,
"C(CC[NH3+])": 4987,
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"C[NH+]2CC": 4989,
"CSCCC(": 4990,
"1Nc1n": 4991,
"[nH+]2)": 4992,
"B3": 4993,
"n3cnnn": 4994,
"NC=CC": 4995,
"CC([NH3+])c1": 4996,
"2)c(=O)": 4997,
"=Cc1c(": 4998,
"2)C1O": 4999,
"OC1CC2": 5000,
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"OC)c(Cl)": 5002,
"c2s1CC": 5003,
"C=CC(C)": 5004,
"(C)s": 5005,
"C)C3": 5006,
"c3n2)": 5007,
"4)C2=O)": 5008,
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"c1ncc[nH]": 5013,
"O)CC1C": 5014,
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"NCC1C": 5024,
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"c(N)ncn": 5026,
"OCC=CC": 5027,
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"c2cc(O)": 5029,
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"3)C4": 5034,
"[NH2+]CCS": 5035,
"Cl)C(": 5036,
"#Cc1cc(": 5037,
"c2n1CCC": 5038,
"sccc3": 5039,
"B)": 5040,
"c3scc(": 5041,
"[NH3+]CC(C)": 5042,
"c1[nH]c(C": 5043,
"(C)CCN(": 5044,
"c2nncn2": 5045,
"(CCCO)": 5046,
"2)cc1OC": 5047,
"OC1CCO": 5048,
"cc(c4": 5049,
"c2c1ncn": 5050,
"=OO=": 5051,
"5)c3": 5052,
")nn2": 5053,
"Oc2ccc3": 5054,
"=CCC(C)": 5055,
"Br)cc2)": 5056,
"C4)n": 5057,
"c2cc[nH]": 5058,
"Cc1co": 5059,
"F)cc5": 5060,
"=O)CC1": 5061,
"oc2c1C": 5062,
"N)cc1C": 5063,
"2Cl": 5064,
")C2CCC": 5065,
"Cl)O": 5066,
"CC1=OCC": 5067,
"C([NH3+])C2": 5068,
")cc1C)": 5069,
"ccccn": 5070,
"[nH]4)c(": 5071,
"O=c1nc(": 5072,
"(C#N)c1": 5073,
"1COC1(": 5074,
")C[NH+]1CC": 5075,
"#N)C1CC": 5076,
"Cc1[nH]c(": 5077,
"c1ccn[nH]": 5078,
"N(CC(O)": 5079,
"ccc([nH]": 5080,
")N1CCCC": 5081,
"c1NC1CC": 5082,
"ccccc2[nH+]": 5083,
"1C[NH2+]C": 5084,
"c2[nH]nc(": 5085,
"C(O)C(C": 5086,
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"=CC(=CC": 5184,
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"SC4": 5210,
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"CCCC[NH3+]": 5228,
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"NCc1n": 5232,
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"cn2)n": 5240,
"5)cc3)": 5241,
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"CCC21CC": 5243,
"=S=S": 5244,
"C(=[NH2+])N": 5245,
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"=C)cc": 5247,
"C(C3CC": 5248,
"ncc2c1": 5249,
"nc3s": 5250,
"n4)": 5251,
"c2cc3n(": 5252,
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"N(CC#N)": 5254,
"CC1C[NH+](C": 5255,
"4C(=O)": 5256,
"C1OCCC": 5257,
"1CCC[NH+]": 5258,
"CN1CCC": 5259,
"C=[NH+]": 5260,
"c1ccnn1": 5261,
"CN1CC(": 5262,
"O=C(NC(": 5263,
"CCCC1CO": 5264,
"OCC2)C": 5265,
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"CC2)C1C": 5267,
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"c2cncc3": 5270,
"C(CF)": 5271,
"S3)": 5272,
"n(C)c3": 5273,
"n23)": 5274,
"c(NC2CC": 5275,
"C(CC(C)": 5276,
"c4c[nH]": 5277,
"c2cc(N3": 5278,
"s2)C1CC": 5279,
"[NH+](C)C(": 5280,
"Cl)c1OC": 5281,
"(CC)O": 5282,
"(C4CC": 5283,
"N(N)": 5284,
"3)n2)n": 5285,
"I)c1OC": 5286,
"OB": 5287,
"C2)c(": 5288,
"c1sc(C": 5289,
"CCCC5": 5290,
"C3CO": 5291,
"N(CC[NH3+])": 5292,
"sccc2": 5293,
"C)N1CC": 5294,
"Br)cc(N": 5295,
"CCN(CC)": 5296,
"C1(C)O": 5297,
"c1cscn": 5298,
"C2S": 5299,
"C#C": 5300,
"I)C": 5301,
"4)OC3": 5302,
"cn1CCC": 5303,
"=O)CC2)": 5304,
"=C(OC)": 5305,
"N)cc(": 5306,
"[NH+]2CC(": 5307,
"N1CCC": 5308,
"C)nn": 5309,
"NCCO)": 5310,
"csc(N)n": 5311,
"(CCCCC2": 5312,
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"[NH3+])c1n": 5314,
"c1c2": 5315,
"5CC6": 5316,
"OC=O)": 5317,
"=CCCO": 5318,
"CCC4C3": 5319,
"c1nsc(": 5320,
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"C=CN": 5322,
"I)cn": 5323,
"N#CC1CC": 5324,
"1CCN(C": 5325,
"oc6": 5326,
"C(N)C": 5327,
"C(CC2": 5328,
"n3ccnc3": 5329,
"C)ccc3": 5330,
"C(=[NH+]O)": 5331,
"C(C#N)(": 5332,
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"c2n1CO": 5334,
"CCc1c(": 5335,
"#N)cc(": 5336,
"CCCn1cc": 5337,
"c4c(Cl)": 5338,
"[NH3+])O": 5339,
")COC": 5340,
"ccccc3[nH+]": 5341,
"O)cc1F": 5342,
"1=N": 5343,
"C(CBr)": 5344,
"ClO=C(N": 5345,
"C(CC#N)": 5346,
"c4cc3": 5347,
")CN1CC": 5348,
"CCCC4)": 5349,
"C3)ccc2": 5350,
"c(N)nc2": 5351,
"n2cncc2": 5352
}