| ,level_0,index,frequency | |
| 0,0,7,0 | |
| 1,1,0,0 | |
| 2,2,P,0 | |
| 3,3,[,0 | |
| 4,4,G,0 | |
| 5,5,a,0 | |
| 6,6,5,0 | |
| 7,7,A,0 | |
| 8,8,4,0 | |
| 9,9,u,0 | |
| 10,10,V,0 | |
| 11,11,:,0 | |
| 12,12,l,0 | |
| 13,13,.,0 | |
| 14,14,r,0 | |
| 15,15,\,0 | |
| 16,16,R,0 | |
| 17,17,#,0 | |
| 18,18,H,0 | |
| 19,19,N,0 | |
| 20,20,@,0 | |
| 21,21,Z,0 | |
| 22,22,S,0 | |
| 23,23,b,0 | |
| 24,24,d,0 | |
| 25,25,],0 | |
| 26,26,c,0 | |
| 27,27,o,0 | |
| 28,28,+,0 | |
| 29,29,1,0 | |
| 30,30,n,0 | |
| 31,31,X,0 | |
| 32,32,(,0 | |
| 33,33,6,0 | |
| 34,34,B,0 | |
| 35,35,-,0 | |
| 36,36,%,0 | |
| 37,37,),0 | |
| 38,38,2,0 | |
| 39,39,p,0 | |
| 40,40,T,0 | |
| 41,41,W,0 | |
| 42,42,=,0 | |
| 43,43,C,0 | |
| 44,44,s,0 | |
| 45,45,I,0 | |
| 46,46,i,0 | |
| 47,47,L,0 | |
| 48,48,K,0 | |
| 49,49,F,0 | |
| 50,50,9,0 | |
| 51,51,8,0 | |
| 52,52,3,0 | |
| 53,53,/,0 | |
| 54,54,O,0 | |
| 55,55,e,0 | |
| 56,56,g,0 | |
| 57,57,M,0 | |
| 58,58,t,0 | |
| 59,59,cc,10073898 | |
| 60,60,CC,5169755 | |
| 61,61,O),4100218 | |
| 62,62,(=,3446289 | |
| 63,63,(=O),3146255 | |
| 64,64,ccc,2546300 | |
| 65,65,(C,2451909 | |
| 66,66,C(=O),2105699 | |
| 67,67,[C,1976339 | |
| 68,68,[C@,1970269 | |
| 69,69,H],1931599 | |
| 70,70,c1,47598 | |
| 71,71,)c,1385253 | |
| 72,72,(C),1096944 | |
| 73,73,c2,18881 | |
| 74,74,ccccc,973612 | |
| 75,75,[C@@,962492 | |
| 76,76,[C@H],889422 | |
| 77,77,c3,14918 | |
| 78,78,[C@@H],849974 | |
| 79,79,ccc(,829278 | |
| 80,80,(CC,726531 | |
| 81,81,NC(=O),689944 | |
| 82,82,cc(,575416 | |
| 83,83,C(=O)N,9123 | |
| 84,84,c(,551321 | |
| 85,85,=C,6152 | |
| 86,86,)C,3658 | |
| 87,87,CCCC,516139 | |
| 88,88,)cc,502890 | |
| 89,89,OC,39440 | |
| 90,90,c4,9344 | |
| 91,91,CN,427734 | |
| 92,92,CO,417754 | |
| 93,93,F),386073 | |
| 94,94,CCN,358711 | |
| 95,95,c1ccc(,336200 | |
| 96,96,(O),321231 | |
| 97,97,(F),316310 | |
| 98,98,)c3,11699 | |
| 99,99,2),302502 | |
| 100,100,(=O)N,291069 | |
| 101,101,cn,289545 | |
| 102,102,)c2,12969 | |
| 103,103,CCC,278208 | |
| 104,104,(Cl,271210 | |
| 105,105,\C,2639 | |
| 106,106,1),258343 | |
| 107,107,(C)C,26354 | |
| 108,108,S(=O),252489 | |
| 109,109,3),240189 | |
| 110,110,N),225670 | |
| 111,111,)c4,7553 | |
| 112,112,[n,218674 | |
| 113,113,c1cc,208444 | |
| 114,114,c3ccccc,203143 | |
| 115,115,OC(=O),200281 | |
| 116,116,nc(,199925 | |
| 117,117,NC,186348 | |
| 118,118,[nH],186289 | |
| 119,119,OCC,3143 | |
| 120,120,c5,3340 | |
| 121,121,S(=O)(=O),172751 | |
| 122,122,2C,5331 | |
| 123,123,cc1,7262 | |
| 124,124,=O),166860 | |
| 125,125,ccc(cc,164961 | |
| 126,126,c2ccccc,164808 | |
| 127,127,c1ccc,159724 | |
| 128,128,+],156091 | |
| 129,129,)c(,155434 | |
| 130,130,CCN(CC,151998 | |
| 131,131,nn,151888 | |
| 132,132,[C@H](,147196 | |
| 133,133,[C@H](C,146487 | |
| 134,134,(F)(F),145991 | |
| 135,135,1C,144287 | |
| 136,136,2)c3,144010 | |
| 137,137,ccccc4,44549 | |
| 138,138,)C(=O)N,9102 | |
| 139,139,[C@@H](,136148 | |
| 140,140,Cl,6198 | |
| 141,141,cccc,135332 | |
| 142,142,\C=C,131624 | |
| 143,143,c1ccccc,127661 | |
| 144,144,[C@@H](C,124595 | |
| 145,145,NC(=O)C,2054 | |
| 146,146,CC(C),120489 | |
| 147,147,[C@],118355 | |
| 148,148,[N,118018 | |
| 149,149,)C(=O),117203 | |
| 150,150,(=C,115589 | |
| 151,151,(Cl)cc,114373 | |
| 152,152,3C,113972 | |
| 153,153,[O,113490 | |
| 154,154,[O-,112893 | |
| 155,155,[C@@],112518 | |
| 156,156,[C@H](CC,111498 | |
| 157,157,=C(,110231 | |
| 158,158,2CC,110120 | |
| 159,159,3)c4,109073 | |
| 160,160,cccc(,106565 | |
| 161,161,F)cc,103981 | |
| 162,162,c1cc(,103420 | |
| 163,163,1CC,102151 | |
| 164,164,[C@@H](CC,101201 | |
| 165,165,c2ccc,100308 | |
| 166,166,[N+],99418 | |
| 167,167,CCCCC,97694 | |
| 168,168,n1,38386 | |
| 169,169,3CC,95296 | |
| 170,170,)c5,2590 | |
| 171,171,n2,28395 | |
| 172,172,C(=O)C,92347 | |
| 173,173,c1ccc(cc1,92326 | |
| 174,174,c(C,92055 | |
| 175,175,c4ccccc4,19706 | |
| 176,176,Br,6033 | |
| 177,177,)cc1,33303 | |
| 178,178,c2ccc(,89679 | |
| 179,179,[C@H](O),86603 | |
| 180,180,=O,85944 | |
| 181,181,c3ccc,85518 | |
| 182,182,OC(=O)C,4537 | |
| 183,183,)N,84610 | |
| 184,184,CC(=O)N,1746 | |
| 185,185,cc1),83914 | |
| 186,186,[C@@H](O),83338 | |
| 187,187,nc2,4109 | |
| 188,188,\C=C\,82059 | |
| 189,189,=N,80503 | |
| 190,190,[O-],33664 | |
| 191,191,ncc,79101 | |
| 192,192,CC1,5493 | |
| 193,193,[N+](=O),77909 | |
| 194,194,c3ccc(,76622 | |
| 195,195,S(=O)(=O)N,2144 | |
| 196,196,CC(=O),75636 | |
| 197,197,[C@H]1,75514 | |
| 198,198,c3ccccc3,25820 | |
| 199,199,N(C,73677 | |
| 200,200,c1ccc(cc1),73479 | |
| 201,201,c1ccccc1,4934 | |
| 202,202,[C@@H]1,73040 | |
| 203,203,c1cccc(,72968 | |
| 204,204,)C(F)(F),72925 | |
| 205,205,c1ccc2,71900 | |
| 206,206,NC(=O)[C@H](CC,70160 | |
| 207,207,N2,70073 | |
| 208,208,)c1,8721 | |
| 209,209,4),69447 | |
| 210,210,ncn,67171 | |
| 211,211,4CC,66672 | |
| 212,212,nc3,4782 | |
| 213,213,c(C),61949 | |
| 214,214,c6,61639 | |
| 215,215,C(=O)NC,60845 | |
| 216,216,(C)CC,60733 | |
| 217,217,ccccc5,21237 | |
| 218,218,Cc1,59561 | |
| 219,219,)C2,59192 | |
| 220,220,1)c2,59178 | |
| 221,221,N=C,58781 | |
| 222,222,SC,58610 | |
| 223,223,CN1,58601 | |
| 224,224,c2ccccc2,15584 | |
| 225,225,O)cc,57160 | |
| 226,226,ccccc3,55895 | |
| 227,227,[C@H](C),55868 | |
| 228,228,c[nH],55788 | |
| 229,229,(=N,55690 | |
| 230,230,CCCCCCCC,55530 | |
| 231,231,n3,15895 | |
| 232,232,4C,54417 | |
| 233,233,[C@H]2,54382 | |
| 234,234,CN(C,54264 | |
| 235,235,ccc1,54046 | |
| 236,236,(=N),53949 | |
| 237,237,(C)C),53319 | |
| 238,238,OC),53049 | |
| 239,239,c2ccc(cc,52923 | |
| 240,240,CCO,52553 | |
| 241,241,[C@@H](C),51599 | |
| 242,242,NC(=O)[C@H](C,51206 | |
| 243,243,cc(C,51006 | |
| 244,244,%1,50874 | |
| 245,245,1=O),50487 | |
| 246,246,cc2,50470 | |
| 247,247,c1ccc(C,50469 | |
| 248,248,=C(C,49720 | |
| 249,249,NC(=O)N,49568 | |
| 250,250,C(=O)O),48614 | |
| 251,251,(Cl),48527 | |
| 252,252,ccc3,48514 | |
| 253,253,(Cl)c,48318 | |
| 254,254,Cl.,48119 | |
| 255,255,c2cc(,47615 | |
| 256,256,(C)(C),47214 | |
| 257,257,\C(=C,46863 | |
| 258,258,2)C,46639 | |
| 259,259,[C@@H]2,46295 | |
| 260,260,CCN(C,46182 | |
| 261,261,N(CC,46069 | |
| 262,262,nc1,3565 | |
| 263,263,CNC,45538 | |
| 264,264,c4ccc,44714 | |
| 265,265,c2ccccc2),44351 | |
| 266,266,ccc2,43633 | |
| 267,267,C(=O)O,17568 | |
| 268,268,3)C,43578 | |
| 269,269,[C@H]3,42890 | |
| 270,270,2=O),42213 | |
| 271,271,COc1ccc(,41999 | |
| 272,272,N1,1938 | |
| 273,273,CCC(CC,41124 | |
| 274,274,c4ccc(,41006 | |
| 275,275,COC(=O),40887 | |
| 276,276,(=O)O),40623 | |
| 277,277,CN(CC,40555 | |
| 278,278,c3ccc(cc,40429 | |
| 279,279,P(=O),40296 | |
| 280,280,c3ccccc3),40162 | |
| 281,281,cc3,39820 | |
| 282,282,=CC,39704 | |
| 283,283,N3,39594 | |
| 284,284,)CC,39397 | |
| 285,285,c(O),39218 | |
| 286,286,NS(=O)(=O),39178 | |
| 287,287,COc1cc(,38745 | |
| 288,288,c5ccccc5,8778 | |
| 289,289,COc1cc,37747 | |
| 290,290,c1cccc(c1,37704 | |
| 291,291,Nc2,37594 | |
| 292,292,)c(OC,37470 | |
| 293,293,5CC,37462 | |
| 294,294,4)c5,37367 | |
| 295,295,c1ccccc1),36695 | |
| 296,296,c2ccc3,36429 | |
| 297,297,1=O,36428 | |
| 298,298,cs,35708 | |
| 299,299,c1ccc(cc1)c2,35632 | |
| 300,300,oc(,35483 | |
| 301,301,(=S,35081 | |
| 302,302,[C@@H]3,34820 | |
| 303,303,C(=O)N[C@@H](CC,34687 | |
| 304,304,c3cc(,34516 | |
| 305,305,nc4,3583 | |
| 306,306,#N,27477 | |
| 307,307,c1n,33717 | |
| 308,308,(O)C,33590 | |
| 309,309,c2c1,15825 | |
| 310,310,NCC,33298 | |
| 311,311,c3cc,33120 | |
| 312,312,NC(=O)[C@@H](,32908 | |
| 313,313,)C(F)(F)F,6144 | |
| 314,314,[N+](=O)[O-],26840 | |
| 315,315,/C,32421 | |
| 316,316,n4,10357 | |
| 317,317,[n+],32116 | |
| 318,318,CN(C),31941 | |
| 319,319,ccccc2,1525 | |
| 320,320,(C)(C)C,15633 | |
| 321,321,[C@]1,30832 | |
| 322,322,2)C(=O)N,30482 | |
| 323,323,CC(C)(C),30372 | |
| 324,324,nc,29821 | |
| 325,325,ccc4,29682 | |
| 326,326,O=C(,29357 | |
| 327,327,2)C(=O),29210 | |
| 328,328,c2cccc(,29192 | |
| 329,329,OCO,29111 | |
| 330,330,Cc1cc,29098 | |
| 331,331,(=N)N),28524 | |
| 332,332,F)c,28424 | |
| 333,333,5),28294 | |
| 334,334,ccc(Cl)cc,27838 | |
| 335,335,O[C@@H],27764 | |
| 336,336,N=C(,27277 | |
| 337,337,4)C,27030 | |
| 338,338,c1nc(,27021 | |
| 339,339,C(=O)N[C@@H](C,26704 | |
| 340,340,c2n,26683 | |
| 341,341,)C(=O)N[C@@H](CC,26629 | |
| 342,342,O[C@H](C,26520 | |
| 343,343,c(N,26459 | |
| 344,344,CC(C)C,26417 | |
| 345,345,occc,26401 | |
| 346,346,3=O),26387 | |
| 347,347,#N),26367 | |
| 348,348,2)c3ccccc,26358 | |
| 349,349,(C)cc,26234 | |
| 350,350,\C(=N,26106 | |
| 351,351,C(F)(F),25971 | |
| 352,352,)c6,25826 | |
| 353,353,c2cccc,25685 | |
| 354,354,\N=C,25675 | |
| 355,355,CN2,25636 | |
| 356,356,CCOC(=O),25344 | |
| 357,357,c3ccccc2,25042 | |
| 358,358,c3cccc,25033 | |
| 359,359,c2cc,25015 | |
| 360,360,CNC(=N)N),24972 | |
| 361,361,O[C@H],24934 | |
| 362,362,O=C,24881 | |
| 363,363,)c(C,24623 | |
| 364,364,c3cccc(,24515 | |
| 365,365,P(=O)(O),24428 | |
| 366,366,ccc(F)cc,24336 | |
| 367,367,(N,24063 | |
| 368,368,c3c2,8335 | |
| 369,369,Br)cc,23877 | |
| 370,370,c1cn,23834 | |
| 371,371,)\,23331 | |
| 372,372,COc1ccc(cc1,22848 | |
| 373,373,O)C,22751 | |
| 374,374,[C@@]2,22727 | |
| 375,375,[C@H](NC(=O),22531 | |
| 376,376,c7,22427 | |
| 377,377,5C,22426 | |
| 378,378,[C@@H]1CC,22092 | |
| 379,379,c3ccc4,21928 | |
| 380,380,-],21874 | |
| 381,381,c2cn,21868 | |
| 382,382,OC)cc,21858 | |
| 383,383,2CCN(CC,21836 | |
| 384,384,=N\,21682 | |
| 385,385,1=C,21606 | |
| 386,386,nc(N,21581 | |
| 387,387,F)c(,21378 | |
| 388,388,S(=O)(=O)C,3797 | |
| 389,389,c3ccc(Cl)cc,21012 | |
| 390,390,CCCCCC,20860 | |
| 391,391,(=O)NC,20826 | |
| 392,392,c4cc,20791 | |
| 393,393,F)C,20785 | |
| 394,394,Cn1,20578 | |
| 395,395,N(C),20513 | |
| 396,396,N4,20423 | |
| 397,397,3)C(=O),20419 | |
| 398,398,[C@@]3,20410 | |
| 399,399,ccccc6,6823 | |
| 400,400,(CCC,20283 | |
| 401,401,1)C(=O),20143 | |
| 402,402,[C@@]1,20139 | |
| 403,403,[C@]2,20095 | |
| 404,404,[C@]3,20023 | |
| 405,405,c2c(,19962 | |
| 406,406,\N=C\,19935 | |
| 407,407,C(=O)N(C,19800 | |
| 408,408,(=S)N,19755 | |
| 409,409,CCN1,19752 | |
| 410,410,c3n,19512 | |
| 411,411,COc1ccc2,19454 | |
| 412,412,=CC(=O),19438 | |
| 413,413,c3c(,19252 | |
| 414,414,N2CCN(CC,19214 | |
| 415,415,(O,19210 | |
| 416,416,Cc1ccc(,19119 | |
| 417,417,c2ccc(Cl)cc,18981 | |
| 418,418,)C(=O)O,2599 | |
| 419,419,3)c4ccccc4,14836 | |
| 420,420,OC)c(OC,18859 | |
| 421,421,NC(=O)CC,18728 | |
| 422,422,OC1,18663 | |
| 423,423,c2ccc(cc2),18492 | |
| 424,424,#C,1974 | |
| 425,425,3CCOCC,18398 | |
| 426,426,OC)c1,18374 | |
| 427,427,[C@H]4,18337 | |
| 428,428,COc1ccc(cc1),18271 | |
| 429,429,c4ccc(cc,18227 | |
| 430,430,nc(C,18215 | |
| 431,431,[O-][N+](=O),18213 | |
| 432,432,\C(=C\,17980 | |
| 433,433,)cc2,14658 | |
| 434,434,1)C,17768 | |
| 435,435,[C@@H]4,17581 | |
| 436,436,c4ccccc3,17554 | |
| 437,437,c1c(,17498 | |
| 438,438,OC(=O)C(F)(F),17340 | |
| 439,439,ccccc1,17338 | |
| 440,440,)NC(=O),17247 | |
| 441,441,N)C,17027 | |
| 442,442,3CCCCC,16980 | |
| 443,443,N2C,16972 | |
| 444,444,OC(C,16962 | |
| 445,445,c1C,5575 | |
| 446,446,(=O)C,16891 | |
| 447,447,c4cc(,16858 | |
| 448,448,SCC,16847 | |
| 449,449,3)C(=O)N,1537 | |
| 450,450,FC(F)(F),16771 | |
| 451,451,c3cn,16695 | |
| 452,452,2CCC,16694 | |
| 453,453,\C=N\,16659 | |
| 454,454,c2ccccc1,16617 | |
| 455,455,COc1ccccc1,16612 | |
| 456,456,2=O,16599 | |
| 457,457,Cc1cc(,16492 | |
| 458,458,c3ccc(F)cc,16355 | |
| 459,459,[C@@H](O,16330 | |
| 460,460,\C(=C/,16318 | |
| 461,461,)C(F)(F)F),16284 | |
| 462,462,[C@@H]1C,16225 | |
| 463,463,2=C,16181 | |
| 464,464,F)c3,4002 | |
| 465,465,CCCN,16069 | |
| 466,466,-].,15904 | |
| 467,467,COc1ccc(C,15831 | |
| 468,468,c3ccccc3C,15784 | |
| 469,469,c12,15672 | |
| 470,470,5)C,15640 | |
| 471,471,c2cccc(c2,15569 | |
| 472,472,Br),15559 | |
| 473,473,(C)C)C(=O)N,2275 | |
| 474,474,OC(=O)C),15380 | |
| 475,475,(C(=O)N,15355 | |
| 476,476,n(C,15271 | |
| 477,477,c(CC,15245 | |
| 478,478,4CCOCC,15242 | |
| 479,479,=C(N),15224 | |
| 480,480,\C=C/,15222 | |
| 481,481,c4cccc,15130 | |
| 482,482,[C@H]1C,15109 | |
| 483,483,)C(=O)C,1787 | |
| 484,484,CC(,15050 | |
| 485,485,3CCC,15010 | |
| 486,486,OCCO,14956 | |
| 487,487,1)C(=O)N,14850 | |
| 488,488,+].,14797 | |
| 489,489,SCC(=O)N,14725 | |
| 490,490,3CCN(CC,14714 | |
| 491,491,c1),14692 | |
| 492,492,cc(Cl),14641 | |
| 493,493,n2),14618 | |
| 494,494,C(=O)N1,14569 | |
| 495,495,[C@@H]2C,14541 | |
| 496,496,[C@H](O)C,14532 | |
| 497,497,N2CC,14520 | |
| 498,498,3CCCC,14466 | |
| 499,499,OCC(=O)N,14462 | |
| 500,500,c1cc2,14441 | |
| 501,501,%10,14353 | |
| 502,502,c2ccccc2C,14338 | |
| 503,503,CCNCC,14277 | |
| 504,504,n2)c3,14270 | |
| 505,505,O)[C@@H](O),14247 | |
| 506,506,.OC(=O)C(F)(F),14140 | |
| 507,507,O=C(N,14137 | |
| 508,508,COC(=O)C,14084 | |
| 509,509,CCOC(=O)C,14072 | |
| 510,510,\C=C(,14033 | |
| 511,511,CCN(CC1)c2,13987 | |
| 512,512,)C(=O)NC,13876 | |
| 513,513,O=C1,13872 | |
| 514,514,2)c3ccccc3,9016 | |
| 515,515,COc1cc2,13798 | |
| 516,516,NC1,13733 | |
| 517,517,[C@H]1CC,13718 | |
| 518,518,2CCCC,13677 | |
| 519,519,[C@]4,13669 | |
| 520,520,n1)c2,13596 | |
| 521,521,ccc5,13576 | |
| 522,522,c4ccccc4),13553 | |
| 523,523,[C@H]2C,13535 | |
| 524,524,(Cl)c3,3325 | |
| 525,525,[C@@H]2CC,13524 | |
| 526,526,[C@@]4,13474 | |
| 527,527,%2,13464 | |
| 528,528,onc(,13395 | |
| 529,529,cc(C),13358 | |
| 530,530,n[nH],13323 | |
| 531,531,c3ccc(cc3),13319 | |
| 532,532,CN1C,13305 | |
| 533,533,NC(=O)OC,13296 | |
| 534,534,c2ccc(F)cc,13212 | |
| 535,535,c4cccc(,13208 | |
| 536,536,NC(=O)c2,12983 | |
| 537,537,)c3ccccc,12880 | |
| 538,538,(CC(=O)N,12870 | |
| 539,539,3)cc1,2454 | |
| 540,540,F)c2,3273 | |
| 541,541,c6ccccc6,2905 | |
| 542,542,\C(=N/,12813 | |
| 543,543,n5,5435 | |
| 544,544,[C@@H]3CC,12765 | |
| 545,545,ccncc,12756 | |
| 546,546,[Na,12693 | |
| 547,547,2CCCCC,12690 | |
| 548,548,(Cl)c(,12668 | |
| 549,549,3=C,12643 | |
| 550,550,2)c4,12628 | |
| 551,551,cc4,12611 | |
| 552,552,[Na+].,12582 | |
| 553,553,c(N),12569 | |
| 554,554,C(=O)OC,1678 | |
| 555,555,NC(=O)[C@H](CC(C)C),12483 | |
| 556,556,c4c3,6562 | |
| 557,557,c2C,12459 | |
| 558,558,O)c(,12454 | |
| 559,559,N(C)C,1721 | |
| 560,560,NC(=N),12275 | |
| 561,561,(=S),12258 | |
| 562,562,c4ccc(Cl)cc,12234 | |
| 563,563,nc5,1606 | |
| 564,564,2(CC,12216 | |
| 565,565,ccc(C,12206 | |
| 566,566,[C@@H](CO),12076 | |
| 567,567,n(,12049 | |
| 568,568,cc(OC)c1,12002 | |
| 569,569,4CCCCC,11994 | |
| 570,570,OP(=O)(O),11977 | |
| 571,571,c1cccc(c1)c2,11952 | |
| 572,572,CCNC,11948 | |
| 573,573,O=C(C,11931 | |
| 574,574,nc(C),11910 | |
| 575,575,[S,11743 | |
| 576,576,N1C,11727 | |
| 577,577,CC1(C),11666 | |
| 578,578,c1ncn,11642 | |
| 579,579,2)cc1,1944 | |
| 580,580,ccc(O)cc,11588 | |
| 581,581,)c(O),11585 | |
| 582,582,C(=O)NCC,11553 | |
| 583,583,[C@@H](O)C,11545 | |
| 584,584,Cc1ccc(cc1),11438 | |
| 585,585,)S(=O)(=O)N,11427 | |
| 586,586,c4ccc(F)cc,11338 | |
| 587,587,[C@@H]3C,11259 | |
| 588,588,cc(c1,11223 | |
| 589,589,c2c[nH],11223 | |
| 590,590,6CC,11170 | |
| 591,591,(C)C)C,1758 | |
| 592,592,=C(N)N),11148 | |
| 593,593,n1),11100 | |
| 594,594,O[C@H](,11092 | |
| 595,595,c3cccc(c3,11078 | |
| 596,596,N(,11072 | |
| 597,597,([O-],11049 | |
| 598,598,CC[C@H](C),11035 | |
| 599,599,CCC(C,11028 | |
| 600,600,c(Cl)cc,11024 | |
| 601,601,3(CC,11004 | |
| 602,602,.OC(=O)C(F)(F)F,2466 | |
| 603,603,c2nc(,11002 | |
| 604,604,c1ccccc1C,10996 | |
| 605,605,cc(O),10976 | |
| 606,606,NC(=O)NC,10974 | |
| 607,607,c1nc2,10963 | |
| 608,608,)c2c1,10962 | |
| 609,609,[nH]c(,10879 | |
| 610,610,(C)(C,10839 | |
| 611,611,ncc(,10823 | |
| 612,612,CC(C,10756 | |
| 613,613,)cc3,8962 | |
| 614,614,c2cc1,10726 | |
| 615,615,CS,10718 | |
| 616,616,c1c[nH],10687 | |
| 617,617,)S(=O)(=O),10656 | |
| 618,618,4CCCC,10607 | |
| 619,619,c1nn,10580 | |
| 620,620,[C@@]5,10549 | |
| 621,621,OCCN,10476 | |
| 622,622,CCC1,10444 | |
| 623,623,2=N,10421 | |
| 624,624,CC(=O)NC,10415 | |
| 625,625,c1cccc2,10383 | |
| 626,626,4)C(=O),10383 | |
| 627,627,n3),10342 | |
| 628,628,c4ccc5,10328 | |
| 629,629,2)N,10322 | |
| 630,630,\C(=N\,10319 | |
| 631,631,)c(C),10308 | |
| 632,632,F)c4,2897 | |
| 633,633,c8,10237 | |
| 634,634,6C,10204 | |
| 635,635,5)c6,10152 | |
| 636,636,CN1C(=O),10104 | |
| 637,637,[C@H]3CC,10098 | |
| 638,638,CN=C(N)N),10083 | |
| 639,639,4=O),10047 | |
| 640,640,s1,10026 | |
| 641,641,CCNC(=O),10019 | |
| 642,642,c1ccc(Cl)cc,10000 | |
| 643,643,2/,9992 | |
| 644,644,3=O,9957 | |
| 645,645,4)cc1,9952 | |
| 646,646,sc(,9946 | |
| 647,647,cccs,9935 | |
| 648,648,\N=C(,9916 | |
| 649,649,NC(=O)[C@H](CCCNC(=N)N),9901 | |
| 650,650,6),9853 | |
| 651,651,O[C@H](CO)[C@@H](O),9843 | |
| 652,652,c2ccc(C,9825 | |
| 653,653,(OC,9795 | |
| 654,654,[N+](=O)[O-]),9774 | |
| 655,655,NC1=O),9767 | |
| 656,656,NC(=O)[C@H](CCCCN,9697 | |
| 657,657,4)N,9637 | |
| 658,658,=NC,9620 | |
| 659,659,CCn1,9617 | |
| 660,660,nc(N),9602 | |
| 661,661,csc(,9588 | |
| 662,662,[C@H]3C,9548 | |
| 663,663,2Cl,2759 | |
| 664,664,[C@H](N),9508 | |
| 665,665,c2cccc3,9493 | |
| 666,666,C1,9481 | |
| 667,667,CN(C)C,9466 | |
| 668,668,CN(,9444 | |
| 669,669,[C@@H](C)O),9440 | |
| 670,670,c4ccccc4C,9436 | |
| 671,671,n2C,2066 | |
| 672,672,n2cn,9402 | |
| 673,673,Cl),9387 | |
| 674,674,CN(C)CC,9360 | |
| 675,675,2)c3ccc(,9356 | |
| 676,676,2)S(=O)(=O),9352 | |
| 677,677,OC)c2,9302 | |
| 678,678,(Cl)c2,3003 | |
| 679,679,NC(=O)[C@H](CO),9254 | |
| 680,680,CNC(=O),9199 | |
| 681,681,c5ccccc4,9176 | |
| 682,682,oc(C,9160 | |
| 683,683,c1ccc(cc1)C,9147 | |
| 684,684,OC(=O)N,9110 | |
| 685,685,s2,9075 | |
| 686,686,CN3,9052 | |
| 687,687,c4cn,9027 | |
| 688,688,(C)(C)C),9020 | |
| 689,689,Clc1ccc(,9009 | |
| 690,690,CCN(C)CC,8958 | |
| 691,691,c23,8917 | |
| 692,692,c2ccc(cc2,8845 | |
| 693,693,4)CC,8820 | |
| 694,694,)C(=O)N[C@@H](C,8814 | |
| 695,695,ncccc,8792 | |
| 696,696,Nc1nc(,8792 | |
| 697,697,3)CC,8790 | |
| 698,698,[C@H]5,8783 | |
| 699,699,OC)c(,8732 | |
| 700,700,OCCCC,8731 | |
| 701,701,)c2ccccc,8721 | |
| 702,702,Oc1ccc(,8718 | |
| 703,703,COc1ccc(cc1)c2,8700 | |
| 704,704,c4c(,8685 | |
| 705,705,)C2=O),8667 | |
| 706,706,\C=C(/C,8661 | |
| 707,707,N3CCN(CC,8649 | |
| 708,708,c1ccc(cc1)C2,8614 | |
| 709,709,)c3ccccc3,4086 | |
| 710,710,(=CC,8571 | |
| 711,711,)c7,8566 | |
| 712,712,c2ccc(O)cc,8531 | |
| 713,713,(C)C(=O),8523 | |
| 714,714,c%1,8517 | |
| 715,715,3)N,8511 | |
| 716,716,(F)(,8511 | |
| 717,717,nn2,4458 | |
| 718,718,[C@](C),8479 | |
| 719,719,c2cc3,8470 | |
| 720,720,OS(=O)(=O),8457 | |
| 721,721,5CCOCC,8377 | |
| 722,722,[C@@H]4CC,8358 | |
| 723,723,C(=O)N),8348 | |
| 724,724,NC(=S)N,8339 | |
| 725,725,c5ccc,8333 | |
| 726,726,(O)(C,8332 | |
| 727,727,NC(=O)CS,8312 | |
| 728,728,nnc(,8278 | |
| 729,729,c3c[nH],8278 | |
| 730,730,4)C(=O)N,8244 | |
| 731,731,OC(F)(F),8238 | |
| 732,732,c5ccc(,8211 | |
| 733,733,Fc1ccc(,8181 | |
| 734,734,(C)c2,8170 | |
| 735,735,3=N,8161 | |
| 736,736,NC(=O)[C@H](C),8141 | |
| 737,737,)\C,8118 | |
| 738,738,(Cl)c4,2727 | |
| 739,739,c(cn,8077 | |
| 740,740,C[C@@H]1,8073 | |
| 741,741,OC[C@H]1,8053 | |
| 742,742,[C@@H]5CC,7993 | |
| 743,743,(=NC,7961 | |
| 744,744,O)c2,7933 | |
| 745,745,C(=O)N(CC,7919 | |
| 746,746,CC(=O)O,3868 | |
| 747,747,CN1CC,7865 | |
| 748,748,s3,7864 | |
| 749,749,4CCC,7862 | |
| 750,750,S),7856 | |
| 751,751,1)c3,7852 | |
| 752,752,CCC(CC1),7847 | |
| 753,753,c3ccc(O)cc,7823 | |
| 754,754,c3ccccc23),7803 | |
| 755,755,c(Cl),7803 | |
| 756,756,O)c(O),7794 | |
| 757,757,Cc1ccc(C,7793 | |
| 758,758,[n+]1,7788 | |
| 759,759,(=C(C,7748 | |
| 760,760,)c5ccccc5,6441 | |
| 761,761,)c4ccccc4,7104 | |
| 762,762,)cc1OC,7696 | |
| 763,763,(N),7639 | |
| 764,764,\C=C\C(=O),7630 | |
| 765,765,ccccc7,1871 | |
| 766,766,c3cccc4,7628 | |
| 767,767,OCCOCC,7608 | |
| 768,768,N1C(=O),7604 | |
| 769,769,\C=C\C,7596 | |
| 770,770,Cc1ccc2,7584 | |
| 771,771,\C=C\2/,7509 | |
| 772,772,sc3,7504 | |
| 773,773,c3cccnc3,2300 | |
| 774,774,2)C(=O)NC,7470 | |
| 775,775,[C@]5,7443 | |
| 776,776,%3,7436 | |
| 777,777,[C@H]2CC,7414 | |
| 778,778,c1ccc(cc1)S(=O)(=O)N,7396 | |
| 779,779,\N,7389 | |
| 780,780,c1cccc(C,7375 | |
| 781,781,c1ncc,7363 | |
| 782,782,Cc1ccccc1,7356 | |
| 783,783,OCCC,7346 | |
| 784,784,2)c3ccc(cc,7336 | |
| 785,785,c1c2,7326 | |
| 786,786,COC,7320 | |
| 787,787,[C@H](NC(=O)C,7287 | |
| 788,788,CCC(=O)N,7266 | |
| 789,789,(CO,7263 | |
| 790,790,COc1cccc(,7230 | |
| 791,791,OC)c(OC)c(OC,7225 | |
| 792,792,c1)c2,7191 | |
| 793,793,NC(=O)[C@H](CCCCN),7189 | |
| 794,794,3)c1,7180 | |
| 795,795,N(C)C(=O),7150 | |
| 796,796,2CCOCC,7147 | |
| 797,797,)C#N,1645 | |
| 798,798,(C)c3,7118 | |
| 799,799,c2nn,7115 | |
| 800,800,CC1=C,7108 | |
| 801,801,2)C(=O)C,7105 | |
| 802,802,CCCCCCCCCCCC,7082 | |
| 803,803,COc1cc(cc(OC)c1,7073 | |
| 804,804,n1C,1636 | |
| 805,805,13,7067 | |
| 806,806,CS(=O)(=O),7027 | |
| 807,807,[C@@H]5,7020 | |
| 808,808,N2C(=O),6988 | |
| 809,809,CCN(CC),6964 | |
| 810,810,[C@@H](NC(=O),6952 | |
| 811,811,[C@@H]1O),6948 | |
| 812,812,[C@H](OC(=O),6928 | |
| 813,813,NC(=O)[C@H](CC(=O)O),6917 | |
| 814,814,(C)C)C(=O)N[C@@H](CC,6916 | |
| 815,815,[C@]4(C),6910 | |
| 816,816,(CCCC,6902 | |
| 817,817,(=C),6892 | |
| 818,818,sc2,6883 | |
| 819,819,cccnc,6879 | |
| 820,820,[C@@](C),6879 | |
| 821,821,N(C(=O),6859 | |
| 822,822,(CC(C,6858 | |
| 823,823,c2cccnc2,1670 | |
| 824,824,oc(nn,6851 | |
| 825,825,c2ccccc2)C,6830 | |
| 826,826,cncn,6824 | |
| 827,827,c2c(C,6819 | |
| 828,828,CN1CCN(CC,6818 | |
| 829,829,)c2cc1,6793 | |
| 830,830,cc(cn,6784 | |
| 831,831,(Cl)c(Cl)c,6782 | |
| 832,832,5CCCC,6759 | |
| 833,833,[C@H](O)[C@@H](O),6742 | |
| 834,834,)C2=O,6741 | |
| 835,835,(NC(=O),6726 | |
| 836,836,sc1,6720 | |
| 837,837,co,6712 | |
| 838,838,(CO),6692 | |
| 839,839,(F)(F)C,6690 | |
| 840,840,ncc3,6672 | |
| 841,841,1CCC,6669 | |
| 842,842,(C(=O),6665 | |
| 843,843,c1ccc(cc1)C(=O)N,6622 | |
| 844,844,NC(=O)[C@H](CCC(=O)O),6622 | |
| 845,845,[Br,6619 | |
| 846,846,[Br-].,6615 | |
| 847,847,OCOc5,6599 | |
| 848,848,c2ccc(cc2)C,6596 | |
| 849,849,=C(C),6587 | |
| 850,850,[C@H](CO),6583 | |
| 851,851,cc(CC,6535 | |
| 852,852,c3ccc(cc3,6534 | |
| 853,853,cc(OC,6528 | |
| 854,854,c3C,6527 | |
| 855,855,c3o,6514 | |
| 856,856,c1ccc2C,6494 | |
| 857,857,)C(=O)O),6493 | |
| 858,858,[C@H](NC(=O)[C@H](C,6461 | |
| 859,859,1=N,6459 | |
| 860,860,c1ccc(O),6455 | |
| 861,861,=CC=C,6448 | |
| 862,862,[C@@H](O[C@@H],6431 | |
| 863,863,COc1cccc(c1,6423 | |
| 864,864,5CCCCC,6415 | |
| 865,865,4CCOCC4,6413 | |
| 866,866,O1,6410 | |
| 867,867,COCC,6391 | |
| 868,868,c3ccc(Cl)cc3,4303 | |
| 869,869,NS(=O)(=O)C,6359 | |
| 870,870,SSC,6355 | |
| 871,871,4CCN(CC,6352 | |
| 872,872,NC(=O)[C@@H](C,6345 | |
| 873,873,COc1cc(ccc1,6338 | |
| 874,874,2C(=O),6331 | |
| 875,875,C(=O)N[C@@H](CCCNC(=N)N),6326 | |
| 876,876,c2ccccc2)c3,6322 | |
| 877,877,NC(=O)[C@H](CC(=O)N,6319 | |
| 878,878,cccc3,6317 | |
| 879,879,)c2),6317 | |
| 880,880,[C@H](O,6316 | |
| 881,881,N1CC,6314 | |
| 882,882,NC(=O)c2cc(,6298 | |
| 883,883,c2),6293 | |
| 884,884,c3cc4,6289 | |
| 885,885,1Cl,6276 | |
| 886,886,c1c(C),6262 | |
| 887,887,N3C,6256 | |
| 888,888,Cc1cccc(,6249 | |
| 889,889,3CCOCC3,6248 | |
| 890,890,c1ccc2c(,6244 | |
| 891,891,C(,6221 | |
| 892,892,O)\,6220 | |
| 893,893,c3occc,6216 | |
| 894,894,C(=O)C(=C,6214 | |
| 895,895,[C@@H](C)CC,6210 | |
| 896,896,C[C@]1,6194 | |
| 897,897,#N)C,6194 | |
| 898,898,nc(cs,6183 | |
| 899,899,F)cc(,6179 | |
| 900,900,3)c4ccc(,6179 | |
| 901,901,=C(O,6169 | |
| 902,902,/C/,6168 | |
| 903,903,2CCC(CC,6160 | |
| 904,904,1)C2,6146 | |
| 905,905,NC(=O)[C@@H](N)C,6143 | |
| 906,906,CN2C(=O),6143 | |
| 907,907,O[C@H](CO)[C@@H](O)[C@H](O),6114 | |
| 908,908,ncnc(N,6078 | |
| 909,909,1CCN(CC,6073 | |
| 910,910,c3ccc(cc3)C,6070 | |
| 911,911,Nc1n,6066 | |
| 912,912,c2ccccc12),6061 | |
| 913,913,CCN1C,6057 | |
| 914,914,)c3ccc(,6049 | |
| 915,915,(O)CC,6037 | |
| 916,916,[C@H]6,6032 | |
| 917,917,cccc2,6020 | |
| 918,918,c3ccc(C,5996 | |
| 919,919,cnc(,5986 | |
| 920,920,NCCCC,5984 | |
| 921,921,Cl.Cl.,5978 | |
| 922,922,[S+],5959 | |
| 923,923,O)cc1,5956 | |
| 924,924,)c2C,5945 | |
| 925,925,no,5923 | |
| 926,926,.OC(=O),5922 | |
| 927,927,C[C@H]1,5920 | |
| 928,928,c1ccc(NC(=O),5919 | |
| 929,929,C(C,5915 | |
| 930,930,nn(,5906 | |
| 931,931,c2ccc(cc2)c3,5903 | |
| 932,932,cc5,5901 | |
| 933,933,c3ccccc23,5890 | |
| 934,934,(=O)O,5875 | |
| 935,935,Cc1cc(C),5864 | |
| 936,936,c2c(C),5863 | |
| 937,937,(CC(=O)O),5847 | |
| 938,938,NCCC,5836 | |
| 939,939,cccc(C,5808 | |
| 940,940,4=C,5806 | |
| 941,941,ccc(C)cc,5796 | |
| 942,942,ccccc14,5783 | |
| 943,943,CCCCCCCCCCCCCCCC,5767 | |
| 944,944,c3ccc(C)cc,5730 | |
| 945,945,c3ccccc3)c4,5725 | |
| 946,946,=CC(=O)N,5715 | |
| 947,947,[C@H]7,5700 | |
| 948,948,[C@H]4C,5697 | |
| 949,949,c4cccc(c4,5696 | |
| 950,950,c5ccc(cc,5693 | |
| 951,951,c1cc(ccc1,5686 | |
| 952,952,nc(NC,5674 | |
| 953,953,)cc2),5664 | |
| 954,954,2CCN(C,5637 | |
| 955,955,=C1,2548 | |
| 956,956,6)C,5619 | |
| 957,957,C(=O)N[C@@H](CCCCN,5610 | |
| 958,958,[C@H](OC(=O)C),5596 | |
| 959,959,c1ccccc1)c2,5590 | |
| 960,960,)C(=O)OC,5590 | |
| 961,961,ncc2,5569 | |
| 962,962,1)S(=O)(=O),5565 | |
| 963,963,4)c3,5554 | |
| 964,964,(Cl)c1,5554 | |
| 965,965,s2),5523 | |
| 966,966,c3ncc,5518 | |
| 967,967,c13,5515 | |
| 968,968,c2ccc3ccccc3,5488 | |
| 969,969,c5ccccc5),5487 | |
| 970,970,c3ccccc3)C,5486 | |
| 971,971,c2nc3,5485 | |
| 972,972,3)c(,5482 | |
| 973,973,[C@@]2(C),5469 | |
| 974,974,#N)c(,5453 | |
| 975,975,3CCCCC3,1984 | |
| 976,976,ccc3C,5386 | |
| 977,977,n3)c4,5357 | |
| 978,978,\C=C\C(=O)N,5357 | |
| 979,979,CCC(C),5357 | |
| 980,980,1CCCCC,5345 | |
| 981,981,Cc1c(,5344 | |
| 982,982,c3ccc(Br)cc,5336 | |
| 983,983,CN(C)C(=O),5326 | |
| 984,984,[C@@H]4C,5320 | |
| 985,985,3)N4,5307 | |
| 986,986,[C@@H](O)[C@H](O),5302 | |
| 987,987,\C=C/C,5286 | |
| 988,988,c1ccc(O)cc1),5274 | |
| 989,989,c4cc5,5271 | |
| 990,990,ncc1,5251 | |
| 991,991,cc(NC(=O),5242 | |
| 992,992,c1c(C,5236 | |
| 993,993,3)S(=O)(=O),5226 | |
| 994,994,=C3,5207 | |
| 995,995,cccc(c3,5196 | |
| 996,996,)cc4,4548 | |
| 997,997,OC(F)(F)F)cc,5188 | |
| 998,998,4C),5188 | |
| 999,999,nccc(,5187 | |
| 1000,1000,c1nnc(,5181 | |
| 1001,1001,OC(,5177 | |
| 1002,1002,5CCC,5177 | |
| 1003,1003,COC1,5172 | |
| 1004,1004,c1ccc(O,5165 | |
| 1005,1005,C[C@H](,5164 | |
| 1006,1006,N2CCC(CC,5163 | |
| 1007,1007,c1cc(C,5154 | |
| 1008,1008,nn3,2175 | |
| 1009,1009,[C@@H](C)C,5118 | |
| 1010,1010,n2)C,5116 | |
| 1011,1011,2)N3,5115 | |
| 1012,1012,c2ccc(Br)cc,5114 | |
| 1013,1013,[C@]3(C),5109 | |
| 1014,1014,c2o,5089 | |
| 1015,1015,ccc2C,5086 | |
| 1016,1016,c3c[nH]c4ccccc3,5081 | |
| 1017,1017,OC(=O)CC,5080 | |
| 1018,1018,cc2C,5074 | |
| 1019,1019,[C@]2(C),5073 | |
| 1020,1020,c5cc(,5072 | |
| 1021,1021,CS(=O)(=O)N,5062 | |
| 1022,1022,=C),5062 | |
| 1023,1023,c2nnc(,5043 | |
| 1024,1024,4)c5ccccc5,4707 | |
| 1025,1025,c4ccc(O)cc,5029 | |
| 1026,1026,N=C1,5020 | |
| 1027,1027,cc(ccc2,5015 | |
| 1028,1028,2)c1,5015 | |
| 1029,1029,(C)C)N,5011 | |
| 1030,1030,O[C@@H](,5009 | |
| 1031,1031,[Na+].[Na+].,4990 | |
| 1032,1032,CN1CCN(CC1)c2,4988 | |
| 1033,1033,NC(=O)[C@@H](N),4979 | |
| 1034,1034,[C@H](C)C,4970 | |
| 1035,1035,(F)(F)F,2621 | |
| 1036,1036,N2CCCC,4965 | |
| 1037,1037,2)c3cccc,4949 | |
| 1038,1038,c2ccc(C)cc,4946 | |
| 1039,1039,Oc3ccc(,4945 | |
| 1040,1040,\N=C(/,4926 | |
| 1041,1041,c1ccc(OC,4925 | |
| 1042,1042,1)c2ccc(,4921 | |
| 1043,1043,Nc1ncn,4909 | |
| 1044,1044,NC(=O)[C@H](CCC(=O)N),4908 | |
| 1045,1045,OC)C,4907 | |
| 1046,1046,cc(C(=O)N,4906 | |
| 1047,1047,[Cl,4906 | |
| 1048,1048,C(=O)OCC,4901 | |
| 1049,1049,(=O)=O),4893 | |
| 1050,1050,[Cl-].,4889 | |
| 1051,1051,n(CC,4885 | |
| 1052,1052,c9,4882 | |
| 1053,1053,O2,4877 | |
| 1054,1054,nccc,4868 | |
| 1055,1055,N3CC,4867 | |
| 1056,1056,NC(=O)[C@H](CC(=O)N),4863 | |
| 1057,1057,2=C(C,4860 | |
| 1058,1058,s4,4859 | |
| 1059,1059,ccccc24,4859 | |
| 1060,1060,N)c2,4854 | |
| 1061,1061,ncnc3,4851 | |
| 1062,1062,C(=O)CC,4848 | |
| 1063,1063,COc1cc(C,4846 | |
| 1064,1064,oc(cc,4831 | |
| 1065,1065,n2c(,4806 | |
| 1066,1066,4)cc,4801 | |
| 1067,1067,4(CC,4800 | |
| 1068,1068,2)c(,4789 | |
| 1069,1069,c1cccnc1,4785 | |
| 1070,1070,(F)(F)F),4783 | |
| 1071,1071,ccc(cc2,4782 | |
| 1072,1072,(=C)C,4772 | |
| 1073,1073,(Cl)C,4760 | |
| 1074,1074,N2CCC,4754 | |
| 1075,1075,P(=O)(,4753 | |
| 1076,1076,C[C@@H](,4747 | |
| 1077,1077,=CC(=O)C,4745 | |
| 1078,1078,s3),4731 | |
| 1079,1079,cc6,4728 | |
| 1080,1080,c2occc,4727 | |
| 1081,1081,)C(F)(F)F)cc,4727 | |
| 1082,1082,CCCNC(=O),4722 | |
| 1083,1083,[n+]2,4704 | |
| 1084,1084,c3c(C),4696 | |
| 1085,1085,1)C(=O)C,4692 | |
| 1086,1086,nc2c1,3473 | |
| 1087,1087,)CC2,4666 | |
| 1088,1088,CCOc1ccc(,4665 | |
| 1089,1089,c(Cl)c,4664 | |
| 1090,1090,\C=C(/C)\,4659 | |
| 1091,1091,1=C(C),4658 | |
| 1092,1092,4)c1,4654 | |
| 1093,1093,c3ccncc,4653 | |
| 1094,1094,CC2,3131 | |
| 1095,1095,O[C@H]([C@H](O),4640 | |
| 1096,1096,(O)(,4639 | |
| 1097,1097,COc1cccc(C,4626 | |
| 1098,1098,4CC4,4621 | |
| 1099,1099,=[N+],4613 | |
| 1100,1100,c(F)cc,4606 | |
| 1101,1101,[C@@H]6,4599 | |
| 1102,1102,)c2ccccc2,4599 | |
| 1103,1103,CC(C)C[C@H](,4598 | |
| 1104,1104,CC(C)(C)O,4595 | |
| 1105,1105,c3cccc(Cl)c3,4593 | |
| 1106,1106,(C)(C)C)C,4593 | |
| 1107,1107,nn1,2144 | |
| 1108,1108,=C2,4579 | |
| 1109,1109,C(=O)NCC(=O)N,4576 | |
| 1110,1110,C[C@@H]1CC,4574 | |
| 1111,1111,CN4,4565 | |
| 1112,1112,Cc1ccc(cc1,4564 | |
| 1113,1113,c3nc(,4562 | |
| 1114,1114,2)S(=O)(=O)N,4560 | |
| 1115,1115,c3ccc(F)cc3,3271 | |
| 1116,1116,ccc1C,4552 | |
| 1117,1117,[C@@H]1O,4548 | |
| 1118,1118,CC(C)O,4546 | |
| 1119,1119,c2ccc3OCO,4535 | |
| 1120,1120,3)c4ccc(cc,4529 | |
| 1121,1121,c2nc3ccccc3,4528 | |
| 1122,1122,c5cccc,4526 | |
| 1123,1123,O)[C@H](O),4520 | |
| 1124,1124,CC(C)(C)C,4516 | |
| 1125,1125,C(=O)N[C@@H](C),4511 | |
| 1126,1126,OC)c3,4504 | |
| 1127,1127,=CC(=O)O,4498 | |
| 1128,1128,[C@@]4(C),4488 | |
| 1129,1129,O=C(CC,4488 | |
| 1130,1130,C),4487 | |
| 1131,1131,CNCC,4485 | |
| 1132,1132,)CC1,4483 | |
| 1133,1133,n3C,4479 | |
| 1134,1134,CCCN(CC,4469 | |
| 1135,1135,cccc1,4468 | |
| 1136,1136,NC(=O)\C=C\,4467 | |
| 1137,1137,O)c3,4461 | |
| 1138,1138,O[C@@H]1,4456 | |
| 1139,1139,[C@@H]7,4444 | |
| 1140,1140,5=O),4443 | |
| 1141,1141,c2ccc(O,4437 | |
| 1142,1142,N(C(=O)C,4435 | |
| 1143,1143,NC(=O)CO,4431 | |
| 1144,1144,c1o,4427 | |
| 1145,1145,[C@]12C,3348 | |
| 1146,1146,[C@]1(C),4418 | |
| 1147,1147,c3ccc4OCO,4411 | |
| 1148,1148,4=O,4411 | |
| 1149,1149,N=C2,4397 | |
| 1150,1150,c1)C(=O)N,4368 | |
| 1151,1151,4CCCCC4,4365 | |
| 1152,1152,([O-]),4359 | |
| 1153,1153,c2ccc(O)cc2),4355 | |
| 1154,1154,[nH]cn,4351 | |
| 1155,1155,c3ccc(OC)cc,4350 | |
| 1156,1156,CN1C(=O)C,4350 | |
| 1157,1157,NC(=O)CN,4334 | |
| 1158,1158,c3ccc4ccccc4,4332 | |
| 1159,1159,Cc1cc(C,4332 | |
| 1160,1160,c2ccc(cc2)S(=O)(=O)N,4328 | |
| 1161,1161,O[C@H]1,4322 | |
| 1162,1162,%11,4305 | |
| 1163,1163,c2s,4299 | |
| 1164,1164,N(C)C),4298 | |
| 1165,1165,CC(=O)O),4297 | |
| 1166,1166,N=C(N),4292 | |
| 1167,1167,)[N+](=O)[O-],3962 | |
| 1168,1168,2)c3ccc4,4289 | |
| 1169,1169,c7ccccc7,4283 | |
| 1170,1170,[I,4257 | |
| 1171,1171,c3c(O),4256 | |
| 1172,1172,[C@@H](O)CC,4243 | |
| 1173,1173,3CCN(C,4240 | |
| 1174,1174,c2c[nH]c3ccccc23),4233 | |
| 1175,1175,c3ccccc3)c4ccccc4,3465 | |
| 1176,1176,[I-].,4227 | |
| 1177,1177,=CC(=O)NC,4223 | |
| 1178,1178,3)C(=O)C,4213 | |
| 1179,1179,[O-]),4202 | |
| 1180,1180,NC(=O)C1,4190 | |
| 1181,1181,c4ccc(C)cc,4187 | |
| 1182,1182,(C2),4187 | |
| 1183,1183,c4ccc(cc4,4185 | |
| 1184,1184,COc1ccc(cc1)C2,4170 | |
| 1185,1185,C(F)(F)F,4170 | |
| 1186,1186,\C(=C(,4163 | |
| 1187,1187,1)N,4162 | |
| 1188,1188,N(CC(=O)N,4157 | |
| 1189,1189,3)c5,4157 | |
| 1190,1190,1)c2ccccc,4151 | |
| 1191,1191,c4ccccc34,4150 | |
| 1192,1192,c3ccccc13,4150 | |
| 1193,1193,ccnc3,4147 | |
| 1194,1194,CCCC1,4142 | |
| 1195,1195,3)c4cccc,4140 | |
| 1196,1196,Cc1cn,4139 | |
| 1197,1197,CSCC,4138 | |
| 1198,1198,c5cccc(,4136 | |
| 1199,1199,(=N)N,3126 | |
| 1200,1200,n4),4132 | |
| 1201,1201,[C@H]4CC,4128 | |
| 1202,1202,2=O)cc1,4125 | |
| 1203,1203,c4ccncc,4123 | |
| 1204,1204,)c3ccc(cc,4105 | |
| 1205,1205,c4c[nH],4099 | |
| 1206,1206,n6,4093 | |
| 1207,1207,Clc1ccc(C,4089 | |
| 1208,1208,)c(OC)c1,4088 | |
| 1209,1209,[H],4080 | |
| 1210,1210,)c(Cl)c1,4078 | |
| 1211,1211,sc4,4076 | |
| 1212,1212,N[C@@H](C,4075 | |
| 1213,1213,CCN(CC)CC,4075 | |
| 1214,1214,NC(=O)[C@@H](CC,4071 | |
| 1215,1215,NC(=O)C),4059 | |
| 1216,1216,Oc1ccc2,4056 | |
| 1217,1217,[C@]6,4054 | |
| 1218,1218,c2cc(C),4044 | |
| 1219,1219,(CC(=O),4044 | |
| 1220,1220,N3CCCC,4038 | |
| 1221,1221,3)C(=O)NC,4031 | |
| 1222,1222,Fc1ccccc1,4027 | |
| 1223,1223,[C@@H]4[C@@]5,4023 | |
| 1224,1224,nc12,4018 | |
| 1225,1225,Cc1nc(,4018 | |
| 1226,1226,CC[C@H]1,4013 | |
| 1227,1227,2=,4008 | |
| 1228,1228,O=,4005 | |
| 1229,1229,N2C(=O)C,3989 | |
| 1230,1230,Fc1ccc(C,3980 | |
| 1231,1231,c1ccc(Cl)cc1,3977 | |
| 1232,1232,2CCCN(C,3977 | |
| 1233,1233,O[C@@H]2,3974 | |
| 1234,1234,NC(=O)[C@H](Cc1ccccc1),3972 | |
| 1235,1235,CC1CC,3972 | |
| 1236,1236,c3cc(C),3969 | |
| 1237,1237,c1O,3959 | |
| 1238,1238,c2ccc(OC,3954 | |
| 1239,1239,CCCC(=O)N,3951 | |
| 1240,1240,occc4,3942 | |
| 1241,1241,c2ccc(N,3940 | |
| 1242,1242,COc1cccc2,3938 | |
| 1243,1243,c5ccc(F)cc,3929 | |
| 1244,1244,OCC1,3927 | |
| 1245,1245,O[C@@H](C,3927 | |
| 1246,1246,=C(C)C,3927 | |
| 1247,1247,cc(nn,3925 | |
| 1248,1248,=C(N,3917 | |
| 1249,1249,c(NC,3916 | |
| 1250,1250,c2c(O),3913 | |
| 1251,1251,[C@H]8,3913 | |
| 1252,1252,3Cl,3912 | |
| 1253,1253,2)c3ccc(Cl)cc,3912 | |
| 1254,1254,N2CCN(CC2)C(=O),3911 | |
| 1255,1255,c2ccncc,3904 | |
| 1256,1256,)C3,3902 | |
| 1257,1257,#CC,3897 | |
| 1258,1258,)n2,1786 | |
| 1259,1259,4)c(,3886 | |
| 1260,1260,F.,3881 | |
| 1261,1261,c4cccnc4,1663 | |
| 1262,1262,Clc1ccccc1,3877 | |
| 1263,1263,OCC(=O),3872 | |
| 1264,1264,nc2C,3871 | |
| 1265,1265,[C@@H](N),3863 | |
| 1266,1266,ccc12,3862 | |
| 1267,1267,c1ccc(C),3858 | |
| 1268,1268,cocc,3856 | |
| 1269,1269,c2ccc(OC)cc,3855 | |
| 1270,1270,[C@@H]([C@@H](C)O),3850 | |
| 1271,1271,nc5ccccc5,3844 | |
| 1272,1272,CC1=N,3842 | |
| 1273,1273,3CC4CC,3832 | |
| 1274,1274,c2cc(ccc2,3828 | |
| 1275,1275,)c4ccc(,3822 | |
| 1276,1276,OCCCN,3811 | |
| 1277,1277,(=O)O)C(=O),3809 | |
| 1278,1278,=C(C)C(=O)NC,3808 | |
| 1279,1279,nc3ccccc3,3801 | |
| 1280,1280,Cc1o,3801 | |
| 1281,1281,cc(OC)c1OC,3800 | |
| 1282,1282,nc6,3791 | |
| 1283,1283,CCOC(=O)C1,3788 | |
| 1284,1284,F)c1,3357 | |
| 1285,1285,c2ccc(NC(=O),3769 | |
| 1286,1286,CN3C(=O),3769 | |
| 1287,1287,[C@H](C)O,3766 | |
| 1288,1288,Br.,3763 | |
| 1289,1289,C\C(=N/,3762 | |
| 1290,1290,N2CCOCC,3761 | |
| 1291,1291,N(CCC,3760 | |
| 1292,1292,c2cc(Cl),3757 | |
| 1293,1293,OC(=O)C)C,3753 | |
| 1294,1294,Cc1ccc(cc1)c2,3753 | |
| 1295,1295,[C@@]2(CC,3747 | |
| 1296,1296,3)c4ccc(F)cc,3746 | |
| 1297,1297,Clc1ccc2,3742 | |
| 1298,1298,#N)c2,3735 | |
| 1299,1299,[C@@H](OC(=O)C),3734 | |
| 1300,1300,c3nn,3725 | |
| 1301,1301,(C)C)C(=O),3715 | |
| 1302,1302,\N=C/,3712 | |
| 1303,1303,5)N,3712 | |
| 1304,1304,c(N)ncn,3711 | |
| 1305,1305,)C(=O)N[C@@H](CCCCN,3710 | |
| 1306,1306,c3c(C,3707 | |
| 1307,1307,c1c[nH]c2ccccc12),3704 | |
| 1308,1308,NC(=O)C2,3704 | |
| 1309,1309,3)S(=O)(=O)N,3699 | |
| 1310,1310,[C@H](N)C,3689 | |
| 1311,1311,c1oc(,3685 | |
| 1312,1312,c5ccc(Cl)cc,3684 | |
| 1313,1313,CCCCO,3683 | |
| 1314,1314,ccccc8,3668 | |
| 1315,1315,1=O)C,3668 | |
| 1316,1316,2)n3,3667 | |
| 1317,1317,c4cccc5,3664 | |
| 1318,1318,c1cccc,3661 | |
| 1319,1319,NC(=O)CN2,3659 | |
| 1320,1320,c%2,3658 | |
| 1321,1321,Fc1ccc(cc1),3655 | |
| 1322,1322,2CCN(CC2)c3,3651 | |
| 1323,1323,FC,3649 | |
| 1324,1324,)c8,3649 | |
| 1325,1325,c1cccc(c1)N,3644 | |
| 1326,1326,S1,3643 | |
| 1327,1327,)cc1Cl,3642 | |
| 1328,1328,%4,3640 | |
| 1329,1329,5CCOCC5,3639 | |
| 1330,1330,CC(=O)N1,3631 | |
| 1331,1331,n2cc,3629 | |
| 1332,1332,1/,3623 | |
| 1333,1333,c2ncc,3614 | |
| 1334,1334,cccnc3,2057 | |
| 1335,1335,O.,3603 | |
| 1336,1336,Cc1cc2,3598 | |
| 1337,1337,[C@@]3(C),3595 | |
| 1338,1338,COc1ccc2c(,3590 | |
| 1339,1339,c3nc4ccccc4,3587 | |
| 1340,1340,CC(N,3587 | |
| 1341,1341,c1ccc(Nc2,3586 | |
| 1342,1342,nc(O),3575 | |
| 1343,1343,7),3571 | |
| 1344,1344,)cc1),3570 | |
| 1345,1345,\C(=O)N,3564 | |
| 1346,1346,C[C@@H](O),3563 | |
| 1347,1347,Br)c(,3563 | |
| 1348,1348,[N-],3560 | |
| 1349,1349,F)c5,3556 | |
| 1350,1350,CN2C,3554 | |
| 1351,1351,ccccc34,3553 | |
| 1352,1352,CCC(,3552 | |
| 1353,1353,CC1=O),3551 | |
| 1354,1354,(CC),3546 | |
| 1355,1355,c4C,3537 | |
| 1356,1356,[C@@](C)(C,3535 | |
| 1357,1357,Cc1nn,3534 | |
| 1358,1358,c4ccccc4)CC,3525 | |
| 1359,1359,CN1C(=O)N(C,3524 | |
| 1360,1360,COc1ccc(cc1OC,3522 | |
| 1361,1361,2)C3,3519 | |
| 1362,1362,(C)cc3,3519 | |
| 1363,1363,n1)C,3518 | |
| 1364,1364,C(=O)O)C,3518 | |
| 1365,1365,c1)C,3517 | |
| 1366,1366,N2CCN(C,3517 | |
| 1367,1367,c1c(O),3513 | |
| 1368,1368,cc(N,3506 | |
| 1369,1369,c4ccccc4)C,3498 | |
| 1370,1370,NC(=S),3495 | |
| 1371,1371,Cc1ccc(cc1)S(=O)(=O)N,3494 | |
| 1372,1372,2CCN(CC2)C(=O),3490 | |
| 1373,1373,COc1ccc(cc1)C,3486 | |
| 1374,1374,n2)cc1,3485 | |
| 1375,1375,cc(cc1,3483 | |
| 1376,1376,ccc6,3480 | |
| 1377,1377,[nH]2,3476 | |
| 1378,1378,3)c4cccc(,3472 | |
| 1379,1379,c2ccc(Cl)cc2),3467 | |
| 1380,1380,O=C1C,3463 | |
| 1381,1381,OC(C)(C)C,3461 | |
| 1382,1382,CCN(CC1)C(=O),3460 | |
| 1383,1383,[C@@H](OC(=O),3458 | |
| 1384,1384,c2ccc(cc2)C(=O)N,3447 | |
| 1385,1385,)c(C)c1,1614 | |
| 1386,1386,c2ccccc2)c3ccccc3,1668 | |
| 1387,1387,C(=O)N[C@@H](CCC(=O)O),3438 | |
| 1388,1388,Cc1onc(,3437 | |
| 1389,1389,c4ccc(cc4)C,3432 | |
| 1390,1390,N3CCOCC,3429 | |
| 1391,1391,[C@@H]5C,3425 | |
| 1392,1392,(nn,3423 | |
| 1393,1393,O=C(NC,3422 | |
| 1394,1394,(=C(,3422 | |
| 1395,1395,cc(C)c1,3420 | |
| 1396,1396,CN(C(=O),3419 | |
| 1397,1397,[C@H](Cc1ccccc1),3417 | |
| 1398,1398,c3cc(Cl),3405 | |
| 1399,1399,)cn1,3402 | |
| 1400,1400,COP(=O)(O),3393 | |
| 1401,1401,C[N+],3393 | |
| 1402,1402,CCCCCCC,3392 | |
| 1403,1403,c1s,3387 | |
| 1404,1404,c6ccccc5,3385 | |
| 1405,1405,(C)(C)CC,3381 | |
| 1406,1406,nnc1,3380 | |
| 1407,1407,cc(F),3376 | |
| 1408,1408,4)C2,3375 | |
| 1409,1409,#N)c3,3373 | |
| 1410,1410,NC(=O)[C@H](Cc2ccccc2),3368 | |
| 1411,1411,c%10,3365 | |
| 1412,1412,3)c2,3363 | |
| 1413,1413,c5ccc6,3361 | |
| 1414,1414,[Si,3358 | |
| 1415,1415,CC(=O)C,3355 | |
| 1416,1416,(C)C)C(=O)N[C@@H](C,3349 | |
| 1417,1417,[C@@H](N)C,3345 | |
| 1418,1418,COC(=O)N,3344 | |
| 1419,1419,cccc(c2,3343 | |
| 1420,1420,.OC(=O)C(=O)O,3342 | |
| 1421,1421,noc(,3337 | |
| 1422,1422,c3ccc(Cl)cc3),3337 | |
| 1423,1423,CC1=C(C,3337 | |
| 1424,1424,n3)C,3335 | |
| 1425,1425,CN1CCC,3334 | |
| 1426,1426,[C@H]3O),3331 | |
| 1427,1427,c2ccccc2Cl,3329 | |
| 1428,1428,c1nc2ccccc2,3329 | |
| 1429,1429,ccc1O,3322 | |
| 1430,1430,OC(C)(C),3322 | |
| 1431,1431,3)c4ccc(Cl)cc,3319 | |
| 1432,1432,c3s,3316 | |
| 1433,1433,[Si],3315 | |
| 1434,1434,1)c2ccc(cc,3311 | |
| 1435,1435,c1cnc(,3310 | |
| 1436,1436,NC(=O)[C@@H](NC(=O),3307 | |
| 1437,1437,2)c3ccccc3),3304 | |
| 1438,1438,C[C@]12CC,3298 | |
| 1439,1439,3CCCCC3),3295 | |
| 1440,1440,c3cc2,3287 | |
| 1441,1441,c4o,3280 | |
| 1442,1442,NC2,3280 | |
| 1443,1443,n2cnc3c(,3277 | |
| 1444,1444,[C@H]1O,3276 | |
| 1445,1445,c12),3274 | |
| 1446,1446,s1),3272 | |
| 1447,1447,[C@H](OC,3272 | |
| 1448,1448,[C@H]1CC[C@H]2,3267 | |
| 1449,1449,3CCC(CC,3262 | |
| 1450,1450,CCOc1ccccc1,3259 | |
| 1451,1451,CC1(C)CC,3252 | |
| 1452,1452,NC(=N,3245 | |
| 1453,1453,CCN(,3245 | |
| 1454,1454,(=C1C,3243 | |
| 1455,1455,c1[nH],3241 | |
| 1456,1456,4=N,3241 | |
| 1457,1457,cc(c2,3240 | |
| 1458,1458,3CCCC3,3238 | |
| 1459,1459,Oc1cc(,3235 | |
| 1460,1460,n2nc(,3231 | |
| 1461,1461,CN(CC(=O)N,3226 | |
| 1462,1462,c1cccc(c1)C(=O)N,3225 | |
| 1463,1463,7C,3219 | |
| 1464,1464,(=C1,3219 | |
| 1465,1465,OC2,3205 | |
| 1466,1466,=[N+]=,3205 | |
| 1467,1467,NCCCN,3204 | |
| 1468,1468,4)c2,3201 | |
| 1469,1469,C(=O)C(=,3195 | |
| 1470,1470,NC(=O)N(C,3194 | |
| 1471,1471,2C1=O),3191 | |
| 1472,1472,CC[C@H](C)[C@H](,3188 | |
| 1473,1473,c(OC,3187 | |
| 1474,1474,cccc4,3183 | |
| 1475,1475,c3ccccc3C2=O),3181 | |
| 1476,1476,NC(=N)N,3181 | |
| 1477,1477,CC(=,3181 | |
| 1478,1478,NC2=O),3179 | |
| 1479,1479,OP(=O),3176 | |
| 1480,1480,N=C(C,3174 | |
| 1481,1481,C(=O)N2,3173 | |
| 1482,1482,5)cc1,3173 | |
| 1483,1483,CCS,3169 | |
| 1484,1484,c2cccc3ccccc2,3166 | |
| 1485,1485,c3ccc(Cl)c,3163 | |
| 1486,1486,c2ccc3OCOc3c2,3161 | |
| 1487,1487,N3CCCCC,3160 | |
| 1488,1488,CCN1C(=O),3160 | |
| 1489,1489,NC(=O)[C@H](CCCN=C(N)N),3156 | |
| 1490,1490,5CCN(CC,3152 | |
| 1491,1491,(C1),3152 | |
| 1492,1492,=CC(=NC,3149 | |
| 1493,1493,5)C(=O)N,3146 | |
| 1494,1494,)C1,1968 | |
| 1495,1495,CC(C)C[C@H](NC(=O),3136 | |
| 1496,1496,n3cn,3129 | |
| 1497,1497,\C=N\NC(=O),3126 | |
| 1498,1498,c34,3122 | |
| 1499,1499,c1ccccc1)C,3119 | |
| 1500,1500,(C)(C)[C@@H]5CC,3117 | |
| 1501,1501,[C@H]5C,3116 | |
| 1502,1502,[C@H](O[C@@H],3115 | |
| 1503,1503,(C)cc2,3106 | |
| 1504,1504,)c2ccc(,3101 | |
| 1505,1505,C(=O)C=C,3094 | |
| 1506,1506,CCCC(=O),3092 | |
| 1507,1507,O=C(N1,3091 | |
| 1508,1508,)c4ccc(cc,3088 | |
| 1509,1509,n1c(,3087 | |
| 1510,1510,4CC4),3082 | |
| 1511,1511,[C@H]2O),3078 | |
| 1512,1512,COc1cc(cc(OC)c1OC,3077 | |
| 1513,1513,C(=O)NC(=N,3068 | |
| 1514,1514,c2ccc(Cl)cc2,2694 | |
| 1515,1515,[C@@]6,3065 | |
| 1516,1516,c4ccc(Cl)cc4,2432 | |
| 1517,1517,P(=O)(O)O),3060 | |
| 1518,1518,O=S(=O),3057 | |
| 1519,1519,c3ccc(cc2,3055 | |
| 1520,1520,C(=O)N2C,3055 | |
| 1521,1521,c2ccc(F)cc2),3054 | |
| 1522,1522,NC(C,3049 | |
| 1523,1523,(C)O,3049 | |
| 1524,1524,4CCCC4,3045 | |
| 1525,1525,c1Cl,3041 | |
| 1526,1526,c3ccc(O)cc3),3029 | |
| 1527,1527,c5ccccc5C,3027 | |
| 1528,1528,)C(=O)N[C@@H](CCCNC(=N)N),3026 | |
| 1529,1529,C[C@@]1,3007 | |
| 1530,1530,OC3,3006 | |
| 1531,1531,nc23,2992 | |
| 1532,1532,2CCCCC2),2992 | |
| 1533,1533,Oc3cc(,2991 | |
| 1534,1534,3)c4ccc,2991 | |
| 1535,1535,2)c3cc(,2989 | |
| 1536,1536,CN1C(=O)N,2985 | |
| 1537,1537,Nc1ncnc2c1,2984 | |
| 1538,1538,Br)c,2982 | |
| 1539,1539,COc1ccc(OC)c(,2976 | |
| 1540,1540,[C@H](N,2974 | |
| 1541,1541,4)C(F)(F)F,2973 | |
| 1542,1542,[C@@]34C),2969 | |
| 1543,1543,c4ccc(cc4),2964 | |
| 1544,1544,Oc4ccccc4,2964 | |
| 1545,1545,c3cccs,2962 | |
| 1546,1546,COc1ccc(cc1)S(=O)(=O)N,2962 | |
| 1547,1547,nn[nH],2960 | |
| 1548,1548,c1nc(C,2954 | |
| 1549,1549,c2ccc3c(,2951 | |
| 1550,1550,=C(C(=O)N,2946 | |
| 1551,1551,3C1=O,2945 | |
| 1552,1552,c5ccccc45,2943 | |
| 1553,1553,c3ncn,2943 | |
| 1554,1554,=C(C(=O)O)C(=O),2942 | |
| 1555,1555,cn3,2941 | |
| 1556,1556,N3CCC(CC,2941 | |
| 1557,1557,COc1ccccc1C,2941 | |
| 1558,1558,cc(Cl)ccc3,2939 | |
| 1559,1559,%12,2939 | |
| 1560,1560,5)C(=O),2931 | |
| 1561,1561,[C@]3(C)C,2928 | |
| 1562,1562,c2cccc(C,2927 | |
| 1563,1563,Oc2ccc(,2927 | |
| 1564,1564,NC(=O)C(,2927 | |
| 1565,1565,O[C@@H](O,2925 | |
| 1566,1566,Cc1oc(,2922 | |
| 1567,1567,)c2cc1OC,2922 | |
| 1568,1568,[n+]([O-],2914 | |
| 1569,1569,\S,2912 | |
| 1570,1570,OO,2909 | |
| 1571,1571,c4ccc(F)cc4,2724 | |
| 1572,1572,c3ccc4OCOc4c3,2907 | |
| 1573,1573,c3ccc(cc3)c4ccccc4,2906 | |
| 1574,1574,c1ccc(F)cc,2904 | |
| 1575,1575,CCCCC1,2898 | |
| 1576,1576,c3nc4,2897 | |
| 1577,1577,4CC5CC,2889 | |
| 1578,1578,6CCOCC,2886 | |
| 1579,1579,S)N,2885 | |
| 1580,1580,c4ccc(C,2881 | |
| 1581,1581,O)c(C,2881 | |
| 1582,1582,7CC,2881 | |
| 1583,1583,c3),2878 | |
| 1584,1584,[n+](C,2878 | |
| 1585,1585,3)n4,2876 | |
| 1586,1586,C(=O)N[C@@H](CCCN=C(N)N),2872 | |
| 1587,1587,NC(=O)[C@@H](NC(=O)[C@H](C,2871 | |
| 1588,1588,CC(C)n1,2869 | |
| 1589,1589,COc1cc(OC),2868 | |
| 1590,1590,Cc1nc2,2866 | |
| 1591,1591,[C@@H]4[C@@]5(C)CC,2858 | |
| 1592,1592,CC(=O)N[C@@H](C,2858 | |
| 1593,1593,(CC1,2857 | |
| 1594,1594,CCCCN,2852 | |
| 1595,1595,5CC5,2852 | |
| 1596,1596,[n+]3,2850 | |
| 1597,1597,CC1C,2849 | |
| 1598,1598,)C1=O,2846 | |
| 1599,1599,)C(F)(F)F)C,2843 | |
| 1600,1600,c2ccccc2)C(=O)N,2842 | |
| 1601,1601,CC(O),2842 | |
| 1602,1602,[nH]3,2839 | |
| 1603,1603,c1)c3,2837 | |
| 1604,1604,SC),2837 | |
| 1605,1605,c5c4,1725 | |
| 1606,1606,Nc2ncn,2826 | |
| 1607,1607,NC(=O)CNC(=O),2826 | |
| 1608,1608,c1)S(=O)(=O)N,2822 | |
| 1609,1609,)C(F)(F)F)c3,2821 | |
| 1610,1610,Oc1ccccc1,2820 | |
| 1611,1611,c3ccccc1,2816 | |
| 1612,1612,CCOC(=O)N1,2812 | |
| 1613,1613,OCCCO,2811 | |
| 1614,1614,N(C)C(=O)N,2807 | |
| 1615,1615,CCC(=O),2806 | |
| 1616,1616,1)c2ccc3,2802 | |
| 1617,1617,[C@]4(C)[C@H]3CC,2801 | |
| 1618,1618,ONC(=O),2800 | |
| 1619,1619,\C(=C/C,2799 | |
| 1620,1620,c3ccc(F)cc3),2795 | |
| 1621,1621,COc1cccc(c1)c2,2792 | |
| 1622,1622,Cn1c(,2791 | |
| 1623,1623,OC3=O),2787 | |
| 1624,1624,O)cc2,2787 | |
| 1625,1625,3C2=O),2787 | |
| 1626,1626,)c3),2787 | |
| 1627,1627,cnn(C,2784 | |
| 1628,1628,c2c1)c3,2781 | |
| 1629,1629,[C@@H]1CCCN1C(=O),2781 | |
| 1630,1630,)cc2)cc1,2780 | |
| 1631,1631,3/,2776 | |
| 1632,1632,ns,2772 | |
| 1633,1633,CCN(C)C,2772 | |
| 1634,1634,6)c7,2772 | |
| 1635,1635,n2CC,2770 | |
| 1636,1636,CCN1CC,2768 | |
| 1637,1637,5)c4,2767 | |
| 1638,1638,SCC(=O),2766 | |
| 1639,1639,C(=O)N[C@@H](CO),2765 | |
| 1640,1640,c4cccc(Cl)c4,2762 | |
| 1641,1641,n1CC,2760 | |
| 1642,1642,c4ncc,2759 | |
| 1643,1643,N3CCC,2759 | |
| 1644,1644,[C@@H](O[C@H],2757 | |
| 1645,1645,2)c3ccc(F)cc,2756 | |
| 1646,1646,nc4ccccc4,2752 | |
| 1647,1647,O[C@H]2,2746 | |
| 1648,1648,c1ccccc1)C(=O)N,2736 | |
| 1649,1649,)C2=N,2736 | |
| 1650,1650,2=C(,2735 | |
| 1651,1651,n2cc(C,2729 | |
| 1652,1652,2)C(=O)O,2728 | |
| 1653,1653,c3occc3,2169 | |
| 1654,1654,)c4cccc(,2726 | |
| 1655,1655,(O)C(O)C,2726 | |
| 1656,1656,cn2,2716 | |
| 1657,1657,n2nn,2715 | |
| 1658,1658,c2cc(C,2715 | |
| 1659,1659,\N=N\,2714 | |
| 1660,1660,O[C@H](C)C,2714 | |
| 1661,1661,O)C(=O),2712 | |
| 1662,1662,Clc1ccc(cc1),2712 | |
| 1663,1663,c2cccs,2707 | |
| 1664,1664,(=O)=O,2707 | |
| 1665,1665,=C(C(=O),2706 | |
| 1666,1666,)cc3),2706 | |
| 1667,1667,CCCCN1,2700 | |
| 1668,1668,c3ccc(OC,2696 | |
| 1669,1669,CC(CC,2694 | |
| 1670,1670,CC1(C)C,2689 | |
| 1671,1671,c1C(=O)N,2684 | |
| 1672,1672,[C@H](C(=O)N,2682 | |
| 1673,1673,OC(=O)[C@H](C),2682 | |
| 1674,1674,[C@@H]([C@@H](C)CC,2679 | |
| 1675,1675,NC3=O),2679 | |
| 1676,1676,O[C@H]1C,2676 | |
| 1677,1677,C(=O)N[C@@H](CCC(=O)N,2670 | |
| 1678,1678,O[C@@H]3,2669 | |
| 1679,1679,CN4C(=O),2662 | |
| 1680,1680,3)C(F)(F)F,2661 | |
| 1681,1681,NC1=O,2659 | |
| 1682,1682,CC(=O)N[C@@H](CC,2655 | |
| 1683,1683,nc3ccccc2,2648 | |
| 1684,1684,ncn2,2638 | |
| 1685,1685,)c(CC,2637 | |
| 1686,1686,2CC3CC,2635 | |
| 1687,1687,[C@]5(C),2631 | |
| 1688,1688,c4ccc(Br)cc,2630 | |
| 1689,1689,(=C(C),2630 | |
| 1690,1690,ccccc15,2628 | |
| 1691,1691,COc1c(,2627 | |
| 1692,1692,c3ccccc3Cl,1759 | |
| 1693,1693,Fc1cc(,2626 | |
| 1694,1694,\C(=C\C,2624 | |
| 1695,1695,CCCCCCCCCC,2617 | |
| 1696,1696,n4)c5,2611 | |
| 1697,1697,O)CC,2611 | |
| 1698,1698,(CC)C,2609 | |
| 1699,1699,c4ccc(OC)cc,2608 | |
| 1700,1700,(Cl)c5,2606 | |
| 1701,1701,[C@H](O)CC,2605 | |
| 1702,1702,Nc2cc(,2605 | |
| 1703,1703,Clc1cc,2604 | |
| 1704,1704,S2,2602 | |
| 1705,1705,OC)N,2602 | |
| 1706,1706,O[C@@H]1C,2600 | |
| 1707,1707,c4ccccc34),2599 | |
| 1708,1708,C(=O)O)C(=O)O,2597 | |
| 1709,1709,n1)c3,2596 | |
| 1710,1710,N4CCCC,2593 | |
| 1711,1711,ccnc1,2591 | |
| 1712,1712,SC(=S)N,2591 | |
| 1713,1713,cc1C,2589 | |
| 1714,1714,NC1=N,2587 | |
| 1715,1715,)O,2582 | |
| 1716,1716,OCC(O),2577 | |
| 1717,1717,N2CCCCC,2575 | |
| 1718,1718,Br)c2,2574 | |
| 1719,1719,cc(O,2572 | |
| 1720,1720,CN2CCN(CC,2572 | |
| 1721,1721,=[N+]=[N-],2572 | |
| 1722,1722,N[C@@H](CC,2571 | |
| 1723,1723,c2cccc(Cl)c2,2567 | |
| 1724,1724,[S+]([O-],2564 | |
| 1725,1725,C(=O)N[C@@H](CC(=O)O),2564 | |
| 1726,1726,cc(c3,2562 | |
| 1727,1727,c5ccc(O)cc,2561 | |
| 1728,1728,3CCCO,2561 | |
| 1729,1729,2)c3cn,2559 | |
| 1730,1730,)c6ccccc6,1999 | |
| 1731,1731,(=CC(=O),2559 | |
| 1732,1732,c5cn,2558 | |
| 1733,1733,Nc2nc(,2555 | |
| 1734,1734,[nH]c2,2551 | |
| 1735,1735,6=O),2551 | |
| 1736,1736,\C(=O),2546 | |
| 1737,1737,cn1),2536 | |
| 1738,1738,CO[C@H]1,2536 | |
| 1739,1739,N(C)CC,2535 | |
| 1740,1740,cc(ccc3,2533 | |
| 1741,1741,c1sc(,2529 | |
| 1742,1742,2)c3cccc(,2526 | |
| 1743,1743,\C),2523 | |
| 1744,1744,([H],2522 | |
| 1745,1745,[O-][N+](=O)c1ccc(,2521 | |
| 1746,1746,N3C(=O),2521 | |
| 1747,1747,c4ccc5ccccc5,2515 | |
| 1748,1748,COC(=O)C1,2515 | |
| 1749,1749,ncc(C,2513 | |
| 1750,1750,OP(=O)(O)O),2513 | |
| 1751,1751,NCCN,2509 | |
| 1752,1752,ncnc23,2508 | |
| 1753,1753,[P,2505 | |
| 1754,1754,c2cc1OC,2504 | |
| 1755,1755,O)c4,2504 | |
| 1756,1756,NC(=O)c2ccccc2,2504 | |
| 1757,1757,6CCCC,2501 | |
| 1758,1758,c1)N,2499 | |
| 1759,1759,CC(=O)OC,2497 | |
| 1760,1760,nc3c2,2489 | |
| 1761,1761,[C@H](O)[C@H](O),2489 | |
| 1762,1762,c4ccc5OCOc5,2484 | |
| 1763,1763,3CC4CC(CC(C,2484 | |
| 1764,1764,(c4ccccc4,2484 | |
| 1765,1765,[C@]23,2483 | |
| 1766,1766,cc(Br),2482 | |
| 1767,1767,CCC2,2478 | |
| 1768,1768,c6ccc(,2476 | |
| 1769,1769,[C@H](Cc2ccccc2),2474 | |
| 1770,1770,c3ccccc3)CC,2472 | |
| 1771,1771,n(C),2471 | |
| 1772,1772,[nH]c3,2471 | |
| 1773,1773,c1cc(C),2470 | |
| 1774,1774,c3cccc(F)c3,2466 | |
| 1775,1775,CCCn1,2466 | |
| 1776,1776,c3ccc(C)cc3,2260 | |
| 1777,1777,c1ccc2ccccc2,2464 | |
| 1778,1778,S\C(=C/,2464 | |
| 1779,1779,CN1C(=O)N(C)c2,2458 | |
| 1780,1780,C(=O)\C=C\,2455 | |
| 1781,1781,c23),2454 | |
| 1782,1782,OCOc6,2454 | |
| 1783,1783,(C)C)N(C)C(=O),2449 | |
| 1784,1784,NC(=O)\C(=C\,2445 | |
| 1785,1785,c4ccccc2,2443 | |
| 1786,1786,CN2CC,2443 | |
| 1787,1787,NC(=O)COC(=O),2441 | |
| 1788,1788,nnc2,2440 | |
| 1789,1789,cccnc4,1880 | |
| 1790,1790,c3cccs3,2430 | |
| 1791,1791,CNS(=O)(=O),2429 | |
| 1792,1792,)C(C)C,2427 | |
| 1793,1793,1CCCC,2424 | |
| 1794,1794,OC1=O,2423 | |
| 1795,1795,c4[nH],2421 | |
| 1796,1796,C[C@H](CO),2420 | |
| 1797,1797,c2[nH],2418 | |
| 1798,1798,c2ccc(cc1,2416 | |
| 1799,1799,(CCCCC,2415 | |
| 1800,1800,coc(,2414 | |
| 1801,1801,)c(N,2413 | |
| 1802,1802,P(=O)(O)O,2412 | |
| 1803,1803,(C)c4,2412 | |
| 1804,1804,cnc2,2409 | |
| 1805,1805,c2c[nH]cn,2409 | |
| 1806,1806,4)C2)C,2408 | |
| 1807,1807,F)c(F)c(,2405 | |
| 1808,1808,3)cc2,2392 | |
| 1809,1809,OP(=O)(O)OC,2386 | |
| 1810,1810,C[C@H](CC,2386 | |
| 1811,1811,OC(=O)\C=C\,2383 | |
| 1812,1812,c2c1)C,2382 | |
| 1813,1813,O[C@H](C)C[C@@H](,2379 | |
| 1814,1814,OC(=O)C(F)(F)F.,2379 | |
| 1815,1815,SS,2378 | |
| 1816,1816,Br)cc1,2378 | |
| 1817,1817,=C4,2378 | |
| 1818,1818,3)C4,2374 | |
| 1819,1819,(N)C,2373 | |
| 1820,1820,c(C(=O)N,2371 | |
| 1821,1821,N(CCCC,2370 | |
| 1822,1822,\C=C/2,2368 | |
| 1823,1823,1=CC,2368 | |
| 1824,1824,3CC3,2367 | |
| 1825,1825,n1)C(=O)N,2366 | |
| 1826,1826,cc12,2366 | |
| 1827,1827,2)NC(=O),2364 | |
| 1828,1828,)c3c2,2035 | |
| 1829,1829,n2ccnc2,2360 | |
| 1830,1830,c1ccc2nc(,2360 | |
| 1831,1831,c3cc(ccc3,2356 | |
| 1832,1832,2)O,2354 | |
| 1833,1833,c1ccc(Cl)c(,2352 | |
| 1834,1834,c3[nH],2349 | |
| 1835,1835,c2ccccc2)cc1,2347 | |
| 1836,1836,c(C)cc,2345 | |
| 1837,1837,N4CCOCC,2345 | |
| 1838,1838,CO[C@@H]1,2345 | |
| 1839,1839,[C@@H]8,2343 | |
| 1840,1840,F)cc1,1874 | |
| 1841,1841,N1C(=O)C,2340 | |
| 1842,1842,[C@](O)(C,2338 | |
| 1843,1843,CCN3,2332 | |
| 1844,1844,CCOc1cc(,2330 | |
| 1845,1845,ccc13,2329 | |
| 1846,1846,NC(=O)C(C,2328 | |
| 1847,1847,COc1ccc2C,2328 | |
| 1848,1848,CCOc1ccc(cc1),2326 | |
| 1849,1849,Br)c3,2326 | |
| 1850,1850,c3cc(C,2325 | |
| 1851,1851,nc1C,2324 | |
| 1852,1852,(=C2,2324 | |
| 1853,1853,CCN2,2322 | |
| 1854,1854,[C@@H]2CCCN2C(=O),2320 | |
| 1855,1855,3=CC,2319 | |
| 1856,1856,SCC(=O)NC,2317 | |
| 1857,1857,cc(c1)c2,2316 | |
| 1858,1858,[C@H]9,2315 | |
| 1859,1859,Oc3ccccc3,2314 | |
| 1860,1860,N4C,2311 | |
| 1861,1861,COc1ccccc1N2CCN(CC,2309 | |
| 1862,1862,c2ccc3ccccc3c2,2307 | |
| 1863,1863,SSC[C@H](,2307 | |
| 1864,1864,NC(=O)[C@H](CCCCN)NC(=O),2306 | |
| 1865,1865,[C@H](C)CC,2305 | |
| 1866,1866,c4c[nH]c5ccccc4,2303 | |
| 1867,1867,6CCC,2303 | |
| 1868,1868,CCN(CC)C(=O),2302 | |
| 1869,1869,2CCN(CC2)S(=O)(=O),2302 | |
| 1870,1870,nc3C,2299 | |
| 1871,1871,l),2297 | |
| 1872,1872,C[C@@H]1C,2296 | |
| 1873,1873,C(=O)N)NC(=O),2295 | |
| 1874,1874,S(=O)(=O)CC,2293 | |
| 1875,1875,cc(ccc1,2291 | |
| 1876,1876,#N)\,2290 | |
| 1877,1877,3)c4ccc5,2289 | |
| 1878,1878,N=C3,2288 | |
| 1879,1879,5)CC,2288 | |
| 1880,1880,1CCCCC1),2285 | |
| 1881,1881,[C@H](C)[C@@H](O),2283 | |
| 1882,1882,4)C(=O)C,2283 | |
| 1883,1883,nnnn,2281 | |
| 1884,1884,ccnc(,2279 | |
| 1885,1885,(OC),2279 | |
| 1886,1886,C[n+]1,2278 | |
| 1887,1887,/C/1=C,2277 | |
| 1888,1888,OC(CC,2274 | |
| 1889,1889,c3ccc(cc3)S(=O)(=O)N,2271 | |
| 1890,1890,C[C@H](NC(=O),2267 | |
| 1891,1891,c(Cl)cccc,2263 | |
| 1892,1892,n4cn,2259 | |
| 1893,1893,c2ccc(Cl)cc2Cl,2257 | |
| 1894,1894,5CCCCC5,2257 | |
| 1895,1895,c4ccccc24,2256 | |
| 1896,1896,c2ccccc2)c3ccccc,2255 | |
| 1897,1897,2)c3cccc(c3,2255 | |
| 1898,1898,s1)c2,2254 | |
| 1899,1899,c2c3,2254 | |
| 1900,1900,C(=O)N[C@@H](CC(=O)N,2254 | |
| 1901,1901,%13,2254 | |
| 1902,1902,c2ccc(F)cc2,1862 | |
| 1903,1903,CCC2(CC,2252 | |
| 1904,1904,2CCC[C@H]2,2251 | |
| 1905,1905,(=C(N,2249 | |
| 1906,1906,P(=O)(OC,2247 | |
| 1907,1907,(F)F),2246 | |
| 1908,1908,c1)C(=O),2242 | |
| 1909,1909,c1onc(,2241 | |
| 1910,1910,\C=C(/,2238 | |
| 1911,1911,3)CC2,2235 | |
| 1912,1912,3CC3),2234 | |
| 1913,1913,3=O)C,2232 | |
| 1914,1914,ccs,2224 | |
| 1915,1915,NC(=O)C2CC,2222 | |
| 1916,1916,)C(=O)NCC,2220 | |
| 1917,1917,n3ccnc3,2218 | |
| 1918,1918,Cc1cccc2,2218 | |
| 1919,1919,1CCCN(C,2218 | |
| 1920,1920,onc(n2)c3,2217 | |
| 1921,1921,c3cc(OC)c(OC)c(OC,2217 | |
| 1922,1922,CCN(CC(=O)N,2217 | |
| 1923,1923,CN(C(=O)C,2216 | |
| 1924,1924,C(=O)N1C,2215 | |
| 1925,1925,O1),2213 | |
| 1926,1926,[C@H](C)[C@@H](O,2212 | |
| 1927,1927,Fc1ccc(cc1)c2,2212 | |
| 1928,1928,ccc(N,2211 | |
| 1929,1929,ccc23,2209 | |
| 1930,1930,C(=O)NC(C,2209 | |
| 1931,1931,cc(Cl)c,2208 | |
| 1932,1932,c8ccccc8,2205 | |
| 1933,1933,ccnc4,2203 | |
| 1934,1934,Fc1cccc(,2203 | |
| 1935,1935,2CCCCC2,2203 | |
| 1936,1936,c3ccc(Cl)c(Cl)c3,2197 | |
| 1937,1937,nc(n1),2196 | |
| 1938,1938,3)C(=O)O,2196 | |
| 1939,1939,c2cc(ccc1,2194 | |
| 1940,1940,P(=S),2194 | |
| 1941,1941,)c3C,2194 | |
| 1942,1942,c2ccccc12,2190 | |
| 1943,1943,c2ccccc2C1=O),2188 | |
| 1944,1944,cc1)c2,2187 | |
| 1945,1945,c2cc(Cl)ccc2,2187 | |
| 1946,1946,5)cc,2187 | |
| 1947,1947,c%11,2186 | |
| 1948,1948,O[C@H]([C@H](O)[C@@H]1O),2186 | |
| 1949,1949,CC1=CC,2186 | |
| 1950,1950,ccccc45,2184 | |
| 1951,1951,C(=O)C=C(O,2178 | |
| 1952,1952,[C@@H]2O),2176 | |
| 1953,1953,CC[C@H]1OC(=O)[C@H](C),2176 | |
| 1954,1954,[C@]23C,2175 | |
| 1955,1955,\C=N,2173 | |
| 1956,1956,c1occc,2169 | |
| 1957,1957,)C#N),2168 | |
| 1958,1958,(C)C)c2,2166 | |
| 1959,1959,cccs4,2165 | |
| 1960,1960,3=C(C,2165 | |
| 1961,1961,4Cl,2160 | |
| 1962,1962,[C@H]1O),2159 | |
| 1963,1963,CCNS(=O)(=O),2159 | |
| 1964,1964,c2cccc(c2)c3,2158 | |
| 1965,1965,cccnc2,2157 | |
| 1966,1966,cc(Cl)c1,2153 | |
| 1967,1967,CN(C)S(=O)(=O),2153 | |
| 1968,1968,c3cc(ccc2,2152 | |
| 1969,1969,c4cc5OCOc5,2151 | |
| 1970,1970,COc1ccc(cc1OC)c2,2150 | |
| 1971,1971,)c(Cl)cc,2149 | |
| 1972,1972,(=O)OC,2149 | |
| 1973,1973,[C@@H](O)[C@@H](O),2148 | |
| 1974,1974,cc([nH],2147 | |
| 1975,1975,CCN(C),2147 | |
| 1976,1976,3CC4CC(CC(C4)C2)C,2145 | |
| 1977,1977,OC2=O),2144 | |
| 1978,1978,NCC(O),2144 | |
| 1979,1979,2)\,2144 | |
| 1980,1980,c5c[nH],2140 | |
| 1981,1981,)n1,2138 | |
| 1982,1982,NC(=O)c1cc(,2137 | |
| 1983,1983,N4CCN(CC,2136 | |
| 1984,1984,e],2131 | |
| 1985,1985,OCC(=O)NC,2127 | |
| 1986,1986,N1C[C@H](C),2127 | |
| 1987,1987,CCC[C@H]1,2127 | |
| 1988,1988,[C@H]3[C@@H](CC,2126 | |
| 1989,1989,CC(C)N1,2125 | |
| 1990,1990,CC[C@@]1,2122 | |
| 1991,1991,NC(=O)c2cn,2119 | |
| 1992,1992,N(C(C,2118 | |
| 1993,1993,Clc1ccc(cc1)c2,2113 | |
| 1994,1994,[C@@H](OC,2111 | |
| 1995,1995,3CCC[C@H]3,2109 | |
| 1996,1996,NC(=O)[C@H](Cc2ccc(O)cc2),2108 | |
| 1997,1997,C(=O)N[C@H](C,2108 | |
| 1998,1998,CC(C)[C@H](NC(=O),2107 | |
| 1999,1999,CC(C)(C,2106 | |
| 2000,2000,c3c(F)cc,2103 | |
| 2001,2001,ncccc3,2102 | |
| 2002,2002,Cc1n,2101 | |
| 2003,2003,N4CCCCC,2098 | |
| 2004,2004,Cc1cc(C)c(,2098 | |
| 2005,2005,c5ccccc3,2094 | |
| 2006,2006,4)C#N,2093 | |
| 2007,2007,c4ccccc4)c5,2092 | |
| 2008,2008,cnc(N,2088 | |
| 2009,2009,c1OC,2087 | |
| 2010,2010,ccncc4,2085 | |
| 2011,2011,NC(=O)c2ccc(,2081 | |
| 2012,2012,c2ccc(Cl)c(Cl)c,2079 | |
| 2013,2013,\N=C(/C,2077 | |
| 2014,2014,c3cc(Cl)ccc3,2076 | |
| 2015,2015,5C(=O),2075 | |
| 2016,2016,N)N,2074 | |
| 2017,2017,c2oc(cc,2072 | |
| 2018,2018,O)cc3,2072 | |
| 2019,2019,6CCCCC,2072 | |
| 2020,2020,n4C,2071 | |
| 2021,2021,c4cccs,2071 | |
| 2022,2022,nc(CC,2070 | |
| 2023,2023,3CCN(CC3)C(=O),2070 | |
| 2024,2024,c2ccc(Cl)c,2069 | |
| 2025,2025,(NC(=O)C,2067 | |
| 2026,2026,SC1,2065 | |
| 2027,2027,CCNC(=O)N,2065 | |
| 2028,2028,NC(=O)OC(C)(C)C,2064 | |
| 2029,2029,N4CC,2064 | |
| 2030,2030,[C@](C)(O),2062 | |
| 2031,2031,CC(O,2060 | |
| 2032,2032,ncccc4,2057 | |
| 2033,2033,)c4),2056 | |
| 2034,2034,8C,2053 | |
| 2035,2035,(S,2053 | |
| 2036,2036,1CCOCC,2048 | |
| 2037,2037,c(C)c(C,2046 | |
| 2038,2038,OC(=O)C1,2046 | |
| 2039,2039,)C(F)(F)F)c4,2044 | |
| 2040,2040,CCc1ccc(,2043 | |
| 2041,2041,c%3,2041 | |
| 2042,2042,4)C(=O)O,2041 | |
| 2043,2043,(=S)NC(=O),2041 | |
| 2044,2044,[C@H]3O,2040 | |
| 2045,2045,NC(=O)c1cn,2040 | |
| 2046,2046,CN(CCO,2040 | |
| 2047,2047,Cc1cccc(C)c1,2039 | |
| 2048,2048,(O)(CC,2034 | |
| 2049,2049,[C@](C)(C,2033 | |
| 2050,2050,F)cc3,2032 | |
| 2051,2051,OCC(=O)O),2026 | |
| 2052,2052,c3ccccc3)c(,2023 | |
| 2053,2053,ncc4,2020 | |
| 2054,2054,[C@]12C),2020 | |
| 2055,2055,c24,2019 | |
| 2056,2056,c3cccc4ccccc3,2016 | |
| 2057,2057,ccc(OC)cc,2013 | |
| 2058,2058,O[C@@H]4,2011 | |
| 2059,2059,C[C@H]1C,2011 | |
| 2060,2060,O[C@@H](C),2010 | |
| 2061,2061,Fc1ccc2,2010 | |
| 2062,2062,O=C(NCC,2009 | |
| 2063,2063,CN(C)c1ccc(,2009 | |
| 2064,2064,CN1CCN(C,2007 | |
| 2065,2065,c3ccc(cc3)c4,2006 | |
| 2066,2066,c2oc(nn,2003 | |
| 2067,2067,\C=C\3/,2002 | |
| 2068,2068,c2c1),2001 | |
| 2069,2069,[nH]4,2000 | |
| 2070,2070,NS(=O)(=O)c1ccc(,2000 | |
| 2071,2071,c1ccc(cc1)C2=N,1996 | |
| 2072,2072,nc(n2),1992 | |
| 2073,2073,(O)C(=O),1992 | |
| 2074,2074,Nc1cc(,1990 | |
| 2075,2075,CC[C@H](C)[C@@H]1,1990 | |
| 2076,2076,(N1,1990 | |
| 2077,2077,ccc7,1986 | |
| 2078,2078,C(=O)N[C@@H](Cc2ccccc2),1984 | |
| 2079,2079,c2ncn,1983 | |
| 2080,2080,CC(=CCC,1982 | |
| 2081,2081,c1ccc2CC,1979 | |
| 2082,2082,COP(=O)(O)O[C@H],1979 | |
| 2083,2083,c3c([nH],1977 | |
| 2084,2084,c2oc(,1976 | |
| 2085,2085,[C@H](OC),1976 | |
| 2086,2086,COc1ccc(CC,1976 | |
| 2087,2087,Cc1cccc(C,1975 | |
| 2088,2088,8),1974 | |
| 2089,2089,(CC=C,1973 | |
| 2090,2090,\N=C\2/,1971 | |
| 2091,2091,FC(F)(F)C,1971 | |
| 2092,2092,Clc1cccc(,1971 | |
| 2093,2093,5CCCC5,1971 | |
| 2094,2094,)c9,1970 | |
| 2095,2095,(NC,1970 | |
| 2096,2096,c4nc5ccccc5,1968 | |
| 2097,2097,Oc1c(,1968 | |
| 2098,2098,[nH]1,1966 | |
| 2099,2099,NC(=O)CSC,1965 | |
| 2100,2100,[C@H]5CC,1964 | |
| 2101,2101,C[C@@H](CO),1963 | |
| 2102,2102,1)c2ccccc2,1963 | |
| 2103,2103,c4),1962 | |
| 2104,2104,)C(F)(F)F)C(F)(F)F,1962 | |
| 2105,2105,c4s,1959 | |
| 2106,2106,NC(=O)c2cc3,1957 | |
| 2107,2107,n2)c1,1955 | |
| 2108,2108,cccs3,1954 | |
| 2109,2109,c(nn,1953 | |
| 2110,2110,[C@H](CC(=O)N,1953 | |
| 2111,2111,[C@@]23,1953 | |
| 2112,2112,ccc(Cl)c(Cl)c,1952 | |
| 2113,2113,Cc1ccc(C)c(,1952 | |
| 2114,2114,CCn1c(,1951 | |
| 2115,2115,3CCOCC3),1950 | |
| 2116,2116,O)C(=O)N,1947 | |
| 2117,2117,cc(Cl)ccc2,1946 | |
| 2118,2118,NC(=O)C=C,1946 | |
| 2119,2119,(CC(=O)NC,1946 | |
| 2120,2120,ccc4C,1943 | |
| 2121,2121,cc(cn1)c2,1942 | |
| 2122,2122,N2CCN(CC2)c3,1942 | |
| 2123,2123,c14,1941 | |
| 2124,2124,Cc1onc(C),1941 | |
| 2125,2125,OC(C)C,1940 | |
| 2126,2126,CC(C)C[C@@H]1,1939 | |
| 2127,2127,c(C)c,1937 | |
| 2128,2128,P(=O)(OCC,1937 | |
| 2129,2129,C[C@H](C,1937 | |
| 2130,2130,(C)(C)[C@@H]5CC[C@@]34C),1935 | |
| 2131,2131,F)c2),1934 | |
| 2132,2132,(=CC(=O)O,1934 | |
| 2133,2133,c1csc(,1933 | |
| 2134,2134,N(C)S(=O)(=O),1932 | |
| 2135,2135,c2cc(O),1931 | |
| 2136,2136,c1ccccc1)C(=O),1931 | |
| 2137,2137,S1(=O)=O),1931 | |
| 2138,2138,7)C,1930 | |
| 2139,2139,c3ccccn3,1929 | |
| 2140,2140,(C)C(=O)N,1927 | |
| 2141,2141,C(F)(F)F),1922 | |
| 2142,2142,C(N,1921 | |
| 2143,2143,cc(C(=O),1920 | |
| 2144,2144,ccnc(N,1913 | |
| 2145,2145,c1ccc(cc1Cl,1910 | |
| 2146,2146,[C@H](Cc3ccccc3),1908 | |
| 2147,2147,nc(Cl),1905 | |
| 2148,2148,c2ccc(cc2)c3ccccc3,1904 | |
| 2149,2149,c4occc4,1540 | |
| 2150,2150,[C@H](CC(C)C),1899 | |
| 2151,2151,N[C@H](C,1898 | |
| 2152,2152,3=,1897 | |
| 2153,2153,CCCS,1896 | |
| 2154,2154,3)C#N,1896 | |
| 2155,2155,c(C)c1,1894 | |
| 2156,2156,[C@@]7,1894 | |
| 2157,2157,\C(=C/1,1893 | |
| 2158,2158,\N=C\1/,1887 | |
| 2159,2159,([H]),1885 | |
| 2160,2160,c3c4,1884 | |
| 2161,2161,=CC=CC,1883 | |
| 2162,2162,COCCN1,1880 | |
| 2163,2163,nc(C(=O)N,1879 | |
| 2164,2164,c1ccc(C)cc1,1879 | |
| 2165,2165,[C@@H]3O[C@H](C,1879 | |
| 2166,2166,\C(=N/O)\,1877 | |
| 2167,2167,1)\,1877 | |
| 2168,2168,[nH]nc(,1876 | |
| 2169,2169,Oc5,1874 | |
| 2170,2170,4)cc3,1874 | |
| 2171,2171,23,1874 | |
| 2172,2172,c(C)c(,1873 | |
| 2173,2173,c4cc(O),1872 | |
| 2174,2174,CCS(=O)(=O)N,1872 | |
| 2175,2175,\C(=C\CC,1871 | |
| 2176,2176,OC)C(=O),1871 | |
| 2177,2177,)C(=O)N[C@@H](CC(=O)N,1870 | |
| 2178,2178,c4ccccc14,1868 | |
| 2179,2179,ccc(F)cc5,1867 | |
| 2180,2180,[C@@H]3CCCN3C(=O),1867 | |
| 2181,2181,c1ncccc1,1866 | |
| 2182,2182,cc(OC),1865 | |
| 2183,2183,(c3ccccc3)c4ccccc4,1865 | |
| 2184,2184,c3ccccc3)c2,1864 | |
| 2185,2185,C(=O)N1CC,1864 | |
| 2186,2186,n3cncn,1863 | |
| 2187,2187,c(O)c(,1863 | |
| 2188,2188,)C(F)(F)F)c2,1863 | |
| 2189,2189,(Cl)ccc1,1863 | |
| 2190,2190,nc13,1859 | |
| 2191,2191,2CCCO,1859 | |
| 2192,2192,c3ccccc3C(=O),1857 | |
| 2193,2193,c2ccccc2)C(=O),1854 | |
| 2194,2194,[C@H](CCCCN,1851 | |
| 2195,2195,c4cc3,1850 | |
| 2196,2196,)c4cccc,1850 | |
| 2197,2197,)C(C)(C),1850 | |
| 2198,2198,CCCC(C),1847 | |
| 2199,2199,c1ccccc1CC,1846 | |
| 2200,2200,nnn[nH],1845 | |
| 2201,2201,cc1OC,1844 | |
| 2202,2202,cc[nH],1843 | |
| 2203,2203,[C@@]34C,1843 | |
| 2204,2204,c2ccccc12)C(=O)N,1841 | |
| 2205,2205,)c4ccc(Cl)cc,1841 | |
| 2206,2206,c3ccccc3)C(=O),1839 | |
| 2207,2207,CCC(CC1)c2,1839 | |
| 2208,2208,5(CC,1839 | |
| 2209,2209,[C@@H]1CC[C@H](CC,1838 | |
| 2210,2210,=CC(=,1836 | |
| 2211,2211,[C@H]2[C@@H]3,1835 | |
| 2212,2212,[C@@]1(C),1835 | |
| 2213,2213,COc1ccc(NC(=O),1834 | |
| 2214,2214,c3cc(O),1833 | |
| 2215,2215,c6ccccc6),1832 | |
| 2216,2216,c2nc(cs,1830 | |
| 2217,2217,c2cccs2),1830 | |
| 2218,2218,S(=O)(=O)NC,1830 | |
| 2219,2219,O=C(NC1,1828 | |
| 2220,2220,3)[N+](=O)[O-],1828 | |
| 2221,2221,.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F,1828 | |
| 2222,2222,CC[C@@H](C),1827 | |
| 2223,2223,c3ccc(N,1826 | |
| 2224,2224,CCOCC,1826 | |
| 2225,2225,O)[C@H](O)[C@H](O),1823 | |
| 2226,2226,2)c4ccccc4,1823 | |
| 2227,2227,COCCO,1822 | |
| 2228,2228,N=N,1821 | |
| 2229,2229,CC3,1821 | |
| 2230,2230,nc(NCC,1819 | |
| 2231,2231,NC(=O)[C@@H](N)CC,1819 | |
| 2232,2232,5)c(,1819 | |
| 2233,2233,B(O),1818 | |
| 2234,2234,cncc,1817 | |
| 2235,2235,Oc1ccc(C,1817 | |
| 2236,2236,O3,1816 | |
| 2237,2237,NC(=O)C2=C,1816 | |
| 2238,2238,COc1ccc(cc1)C(=O)N,1814 | |
| 2239,2239,c1ccc2c(c1),1813 | |
| 2240,2240,2C(C,1813 | |
| 2241,2241,CC(C)(C)OC(=O)N,1812 | |
| 2242,2242,\C(=N\O)\,1811 | |
| 2243,2243,Oc1ccc(cc1)c2,1811 | |
| 2244,2244,nc(NC(=O),1810 | |
| 2245,2245,c2C1=O),1808 | |
| 2246,2246,F)ccc1,1804 | |
| 2247,2247,CCN1CCN(CC,1804 | |
| 2248,2248,4)C2=O,1803 | |
| 2249,2249,CCCCCCCCC,1802 | |
| 2250,2250,c2ccc(F)c(,1801 | |
| 2251,2251,(C)C)C(=O)O,1800 | |
| 2252,2252,3)O,1798 | |
| 2253,2253,2)N3C,1797 | |
| 2254,2254,2=NC,1794 | |
| 2255,2255,N(C1=O),1793 | |
| 2256,2256,)c4ccc(F)cc,1793 | |
| 2257,2257,c3ccccc3)cc1,1792 | |
| 2258,2258,CCCN(CCC,1792 | |
| 2259,2259,c2cccc(c2)S(=O)(=O)N,1790 | |
| 2260,2260,ccccc13,1788 | |
| 2261,2261,n4)C,1787 | |
| 2262,2262,5CCNCC,1786 | |
| 2263,2263,c6ccc(cc,1785 | |
| 2264,2264,O[C@H]3,1785 | |
| 2265,2265,CN1CCC(CC1),1784 | |
| 2266,2266,CC(C)[C@H](,1784 | |
| 2267,2267,3CCCCCC,1781 | |
| 2268,2268,cc(o,1780 | |
| 2269,2269,c3cccc(C,1777 | |
| 2270,2270,CCN(C(=O),1777 | |
| 2271,2271,CC1(CC,1775 | |
| 2272,2272,COc1n,1774 | |
| 2273,2273,c3cccc(C)c3,1773 | |
| 2274,2274,c2ccc(cc2C,1773 | |
| 2275,2275,CNc1nc(,1773 | |
| 2276,2276,)C1=O),1773 | |
| 2277,2277,(F)F,1771 | |
| 2278,2278,n5),1770 | |
| 2279,2279,N)\,1770 | |
| 2280,2280,2)c3ccc(Cl)cc3,1769 | |
| 2281,2281,c1ccc(Cl)c,1763 | |
| 2282,2282,[C@@]34,1763 | |
| 2283,2283,Oc2ccccc2,1762 | |
| 2284,2284,)cc12,1761 | |
| 2285,2285,cc(Cl)ccc4,1758 | |
| 2286,2286,NC(=O)[C@H](Cc3ccccc3),1755 | |
| 2287,2287,4)c,1755 | |
| 2288,2288,CC(C)(O),1750 | |
| 2289,2289,4CC5CC(CC(C,1749 | |
| 2290,2290,c3cs,1746 | |
| 2291,2291,COc1ccc(Cl)cc1,1745 | |
| 2292,2292,1=CN(C,1745 | |
| 2293,2293,)ccc1,1744 | |
| 2294,2294,nc([nH],1742 | |
| 2295,2295,1)C(=O)O,1741 | |
| 2296,2296,[C@@](O)(C,1740 | |
| 2297,2297,)c(c2,1740 | |
| 2298,2298,NC(=O)C)C,1739 | |
| 2299,2299,c3ccccc3c2,1737 | |
| 2300,2300,c5ccncc,1736 | |
| 2301,2301,CC1=CN(,1736 | |
| 2302,2302,3(CC2),1736 | |
| 2303,2303,c4cccc(F)c4,1735 | |
| 2304,2304,[C@]3(C)CC,1735 | |
| 2305,2305,N1C[C@@H](C),1734 | |
| 2306,2306,Oc1ccc(cc1),1730 | |
| 2307,2307,1CCN(CC1)C(=O),1730 | |
| 2308,2308,n23,1729 | |
| 2309,2309,ccc(Cl)cc3,1729 | |
| 2310,2310,COC(=O)N1,1728 | |
| 2311,2311,CCCC(C,1727 | |
| 2312,2312,c3ccccn3),1726 | |
| 2313,2313,Cn1cc(,1726 | |
| 2314,2314,[N+](=O)[O-])cc1,1725 | |
| 2315,2315,N=C(S)N,1723 | |
| 2316,2316,\C=C\C=C\,1722 | |
| 2317,2317,2)C(=O)NC1=O,1720 | |
| 2318,2318,NC(=O)c3cc(,1719 | |
| 2319,2319,[C@@]4(C)CC,1718 | |
| 2320,2320,CCOC,1718 | |
| 2321,2321,c1C#N,1717 | |
| 2322,2322,CN(CCC,1717 | |
| 2323,2323,4CC5CC(CC(C5)C,1717 | |
| 2324,2324,S2(=O)=O),1716 | |
| 2325,2325,Oc2cc(,1714 | |
| 2326,2326,1=,1712 | |
| 2327,2327,c1ccccc1)c2ccccc,1711 | |
| 2328,2328,CC(NC(=O),1709 | |
| 2329,2329,[C@@H](O)[C@@H](O[C@@H],1708 | |
| 2330,2330,c2ccc3OCCO,1707 | |
| 2331,2331,(=O)N(C,1707 | |
| 2332,2332,ccccc23,1706 | |
| 2333,2333,C(=O)NCCC,1705 | |
| 2334,2334,OCC=C,1703 | |
| 2335,2335,)C(=O)N[C@@H](C),1703 | |
| 2336,2336,c(Cl)cc(Cl)cc,1702 | |
| 2337,2337,)c23,1701 | |
| 2338,2338,2(C,1696 | |
| 2339,2339,OS(=O)(=O)O),1695 | |
| 2340,2340,NC(=O)NCC,1694 | |
| 2341,2341,C(=O)N2CC,1692 | |
| 2342,2342,c4cc(Cl),1691 | |
| 2343,2343,)C(=O)N[C@@H](CO),1690 | |
| 2344,2344,c1ccc(N,1689 | |
| 2345,2345,[C@@]3(C,1688 | |
| 2346,2346,C(=O)N[C@@H](C(C)C)C(=O)N,1688 | |
| 2347,2347,4CCC(CC,1688 | |
| 2348,2348,3CCNCC,1688 | |
| 2349,2349,(Cc2ccccc2),1688 | |
| 2350,2350,n2)C(=O)N,1687 | |
| 2351,2351,c5ccc(cc5,1687 | |
| 2352,2352,c5cccc(c5,1686 | |
| 2353,2353,c3c[nH]c4ccccc34),1685 | |
| 2354,2354,OC(=O)[C@H](C,1684 | |
| 2355,2355,3=C(,1683 | |
| 2356,2356,Cc1cccc(c1,1682 | |
| 2357,2357,5=O,1682 | |
| 2358,2358,2)[N+](=O)[O-],1682 | |
| 2359,2359,c1cccc2ccccc1,1679 | |
| 2360,2360,2CC(=N,1678 | |
| 2361,2361,c3ccccc3C2=O,1677 | |
| 2362,2362,CCS(=O)(=O),1676 | |
| 2363,2363,O[C@H]4,1674 | |
| 2364,2364,=C1),1674 | |
| 2365,2365,cc(Cl)cc,1673 | |
| 2366,2366,CN3C,1673 | |
| 2367,2367,[C@@H](CCC,1672 | |
| 2368,2368,c3cccs3),1671 | |
| 2369,2369,c2ccc(NC(=O)C,1671 | |
| 2370,2370,c3occc3),1670 | |
| 2371,2371,c%12,1669 | |
| 2372,2372,4)CC2,1668 | |
| 2373,2373,cnc3,1667 | |
| 2374,2374,)C(C)(C)C,1667 | |
| 2375,2375,nc2ccccc1,1666 | |
| 2376,2376,)c2C1=O,1665 | |
| 2377,2377,c3c(F)cccc3,1664 | |
| 2378,2378,nn(C,1662 | |
| 2379,2379,Cc1c(C,1661 | |
| 2380,2380,c2ccc(C)cc2,1538 | |
| 2381,2381,3CCN(CC3)c4,1660 | |
| 2382,2382,CC(=C),1659 | |
| 2383,2383,c2c(C1),1654 | |
| 2384,2384,ccc(cc3,1653 | |
| 2385,2385,Cc1ccc(cc1)S(=O)(=O),1653 | |
| 2386,2386,c3ccc4ccccc4c3,1652 | |
| 2387,2387,CCC4,1650 | |
| 2388,2388,CN2CCC,1649 | |
| 2389,2389,1CCC[C@H]1,1649 | |
| 2390,2390,cc(OC)c(OC,1648 | |
| 2391,2391,CCN(CC)C,1648 | |
| 2392,2392,c2cccs2,1647 | |
| 2393,2393,c2ccccc2)c(,1646 | |
| 2394,2394,[C@@H]4CCCN4C(=O),1646 | |
| 2395,2395,[C@@H](CO,1646 | |
| 2396,2396,4)CC1,1646 | |
| 2397,2397,cn1)c2,1645 | |
| 2398,2398,c3ccc(O,1645 | |
| 2399,2399,OC[C@H]1O[C@H](,1644 | |
| 2400,2400,c4ccccc4c3,1642 | |
| 2401,2401,c1cc(cc(c1,1642 | |
| 2402,2402,C(=O)N(C)C,1640 | |
| 2403,2403,c1nn(,1639 | |
| 2404,2404,=C(C(=O)NC,1638 | |
| 2405,2405,O)c(OC,1637 | |
| 2406,2406,CCOC(=O)C1=C(C),1637 | |
| 2407,2407,c3ncc(,1634 | |
| 2408,2408,c3ccc(cc3)C(=O)N,1633 | |
| 2409,2409,c1oc(C,1632 | |
| 2410,2410,N)c3,1631 | |
| 2411,2411,2)n1,1631 | |
| 2412,2412,c(O,1630 | |
| 2413,2413,[C@H](CCCNC(=N)N),1630 | |
| 2414,2414,3)c4ccc(Cl)cc4,1630 | |
| 2415,2415,CN(C(=O)O,1629 | |
| 2416,2416,CC1=C(,1626 | |
| 2417,2417,c6ccc(O)cc,1624 | |
| 2418,2418,CCOc1ccc(C,1624 | |
| 2419,2419,I),1623 | |
| 2420,2420,c3C(=O),1622 | |
| 2421,2421,c2c1)N,1622 | |
| 2422,2422,nc(nc3,1620 | |
| 2423,2423,NC(=O)CCC,1620 | |
| 2424,2424,9C,1620 | |
| 2425,2425,NC(=O)O,1619 | |
| 2426,2426,CC[C@H](C)[C@H](NC(=O),1619 | |
| 2427,2427,[C@H](NC(=O)[C@H](Cc1ccccc1),1618 | |
| 2428,2428,c3ccc(F)c(,1617 | |
| 2429,2429,\N=C(\,1617 | |
| 2430,2430,3CCC(C,1616 | |
| 2431,2431,F)ccc2,1615 | |
| 2432,2432,C[C@]12CC[C@H]3[C@@H](CC,1615 | |
| 2433,2433,4)c5cccc,1615 | |
| 2434,2434,CCCCN1C(=O),1614 | |
| 2435,2435,CCc1cc(,1614 | |
| 2436,2436,c1c[nH]cn1),1613 | |
| 2437,2437,1CCN(CC1)c2,1613 | |
| 2438,2438,cn[nH],1610 | |
| 2439,2439,CC(=O)N1CC,1610 | |
| 2440,2440,n1)C2,1609 | |
| 2441,2441,CCCO,1609 | |
| 2442,2442,c1ccc(NC(=O)N,1608 | |
| 2443,2443,cc3C,1607 | |
| 2444,2444,c3ccc(NC(=O),1604 | |
| 2445,2445,(C)(C)O,1604 | |
| 2446,2446,4)cc2,1602 | |
| 2447,2447,(F)(F)C(F)(F)C,1602 | |
| 2448,2448,[C@H](N(C,1600 | |
| 2449,2449,CN=C(,1599 | |
| 2450,2450,C(CC,1599 | |
| 2451,2451,5)c1,1598 | |
| 2452,2452,c1ccc2OCO,1597 | |
| 2453,2453,[C@H]2O,1597 | |
| 2454,2454,C=,1597 | |
| 2455,2455,c2ccc(Cl)c(,1596 | |
| 2456,2456,CC1CCN(CC,1596 | |
| 2457,2457,4CCOCC4),1595 | |
| 2458,2458,n2cc(,1594 | |
| 2459,2459,5)c3,1594 | |
| 2460,2460,2)c5,1594 | |
| 2461,2461,[n+](CC,1593 | |
| 2462,2462,NC(=O)c2ccc3,1589 | |
| 2463,2463,CC1(C)CCC,1589 | |
| 2464,2464,ccc(Br)cc,1587 | |
| 2465,2465,S(=O)(=O)O),1585 | |
| 2466,2466,n2ccc3,1584 | |
| 2467,2467,Cc1cc(ccc1,1584 | |
| 2468,2468,N(C)C(=O)C,1583 | |
| 2469,2469,CC1=O,1583 | |
| 2470,2470,3(C,1583 | |
| 2471,2471,1)O,1583 | |
| 2472,2472,5CCN(C)CC,1582 | |
| 2473,2473,(CC2=O),1582 | |
| 2474,2474,nc(nc1,1581 | |
| 2475,2475,c2c([nH],1581 | |
| 2476,2476,c12)c3,1581 | |
| 2477,2477,2CO,1581 | |
| 2478,2478,OC(CO)C,1580 | |
| 2479,2479,(OC(=O),1580 | |
| 2480,2480,c4c(C),1579 | |
| 2481,2481,Br)cc(,1579 | |
| 2482,2482,[C@]6(C),1578 | |
| 2483,2483,Nc2nc(N,1575 | |
| 2484,2484,)C4,1575 | |
| 2485,2485,c3ccc(O)cc3,1573 | |
| 2486,2486,NC1=,1573 | |
| 2487,2487,c2ccc3C,1572 | |
| 2488,2488,(C)C)c3,1572 | |
| 2489,2489,ccc2Cl,1571 | |
| 2490,2490,O=C1N,1571 | |
| 2491,2491,3)c4ccc(F)cc4,1571 | |
| 2492,2492,(C)(C)O),1571 | |
| 2493,2493,CC[C@@H]1,1570 | |
| 2494,2494,c4c(O),1569 | |
| 2495,2495,c12)C,1569 | |
| 2496,2496,C(=O)O.,1569 | |
| 2497,2497,[C@H](O[C@H],1568 | |
| 2498,2498,OCCOCCOCCOCC,1568 | |
| 2499,2499,)cc2C,1568 | |
| 2500,2500,c4ccc(O)cc4),1566 | |
| 2501,2501,ccc(F)cc3,1565 | |
| 2502,2502,4)c5ccc(cc,1565 | |
| 2503,2503,[C@@](C)(O),1564 | |
| 2504,2504,c3ccncc3,1563 | |
| 2505,2505,[C@](C)(O)C,1562 | |
| 2506,2506,O=C(CS,1561 | |
| 2507,2507,c2cc(OC)c(OC)c(OC,1560 | |
| 2508,2508,c4c5,1558 | |
| 2509,2509,onc2,1556 | |
| 2510,2510,3)CC1,1556 | |
| 2511,2511,CCCCCCCCCCCCCC,1555 | |
| 2512,2512,(NC(=O)N,1555 | |
| 2513,2513,sc2c1,1554 | |
| 2514,2514,\C1=O,1553 | |
| 2515,2515,COc1cc(OC)cc(c1,1553 | |
| 2516,2516,[1,1552 | |
| 2517,2517,OC(=O)c1cc(,1552 | |
| 2518,2518,)C2=O)cc1,1551 | |
| 2519,2519,)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC,1551 | |
| 2520,2520,(N(C,1551 | |
| 2521,2521,OC4,1550 | |
| 2522,2522,c4c(C,1549 | |
| 2523,2523,nnc3,1548 | |
| 2524,2524,[Se],1548 | |
| 2525,2525,P(=O)(S),1548 | |
| 2526,2526,)cc1O,1548 | |
| 2527,2527,ncnc2,1547 | |
| 2528,2528,nn4,1546 | |
| 2529,2529,C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N),1545 | |
| 2530,2530,ccncc3,1544 | |
| 2531,2531,c4ccc(Cl)cc4),1544 | |
| 2532,2532,[C@H](NC,1544 | |
| 2533,2533,Oc1ccc(cc1,1544 | |
| 2534,2534,CCN(C1)c2,1543 | |
| 2535,2535,2C(=O)N,1543 | |
| 2536,2536,c1)[N+](=O)[O-],1542 | |
| 2537,2537,N1CCCC,1540 | |
| 2538,2538,OC(=O)C(=C,1539 | |
| 2539,2539,CC1CN(CC,1538 | |
| 2540,2540,OC(=CC(=O),1537 | |
| 2541,2541,O=C1CC,1537 | |
| 2542,2542,c2)C(=O)N,1536 | |
| 2543,2543,3)C2,1536 | |
| 2544,2544,\C=C/C\C=C/C,1535 | |
| 2545,2545,CC1)c2,1535 | |
| 2546,2546,occc3,1534 | |
| 2547,2547,NC1=O)C,1533 | |
| 2548,2548,c3ccc(OC)c(OC,1531 | |
| 2549,2549,[C@H](OC(=O)C,1531 | |
| 2550,2550,=C(C)C),1530 | |
| 2551,2551,c4cc(C),1529 | |
| 2552,2552,)C(=O)N[C@@H](CCC(=O)O),1529 | |
| 2553,2553,Cl)CCC,1528 | |
| 2554,2554,ccc(Cl)c,1527 | |
| 2555,2555,Nc2nccc(,1526 | |
| 2556,2556,(Cl)c2),1526 | |
| 2557,2557,4CCCO,1525 | |
| 2558,2558,nc3c(,1524 | |
| 2559,2559,c3ccnc4,1524 | |
| 2560,2560,c2c(F)cc,1524 | |
| 2561,2561,2CCC(C,1523 | |
| 2562,2562,c2cs,1522 | |
| 2563,2563,NC(=O)CCCC,1521 | |
| 2564,2564,(O)CO,1521 | |
| 2565,2565,%14,1521 | |
| 2566,2566,CCc1ccccc1,1520 | |
| 2567,2567,OC(=O)c1ccccc1,1519 | |
| 2568,2568,1=C(O),1519 | |
| 2569,2569,O[C@@H]5,1518 | |
| 2570,2570,nc(nc2,1516 | |
| 2571,2571,S(=O)(=O)C),1516 | |
| 2572,2572,N4CCC,1516 | |
| 2573,2573,4CCCCC4),1516 | |
| 2574,2574,5)C#N,1515 | |
| 2575,2575,)N(C,1513 | |
| 2576,2576,NC(=O)[C@H](CCC(=O)N)NC(=O),1509 | |
| 2577,2577,[C@]2(C,1508 | |
| 2578,2578,c(Cl)c(,1507 | |
| 2579,2579,c4ccc(F)cc4),1505 | |
| 2580,2580,)N2C,1505 | |
| 2581,2581,C(=O)NCCCC,1504 | |
| 2582,2582,NC(=N)NCCC,1503 | |
| 2583,2583,2=C1C,1503 | |
| 2584,2584,ccc(Cl)cc5,1502 | |
| 2585,2585,)c(O)c1,1501 | |