0 B23R2.245519601 CC(C)(C)C#C/C=C/CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100016277853 [0,0,0,0,0,0|2,0,0]=2 1 B23R2.245519601 CC(C)(C)C#CC=CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000008102 [0,0,0,0,0,0|2,0,0]=2 2 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)CC1OCCc2c1cccc2 269982a_100015203942_100016277853 [0,0,0,0,0,0|1,0,3]=4 3 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)CC1OCCc2c1cccc2 34a_100015203942_100016277853 [0,0,0,0,0,0|1,0,3]=4 4 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)Cc1cccc2c1cccc2 269982a_100000741213_100016277853 [0,0,0,0,0,0|0,0,0]=0 5 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)Cc1cccc2c1cccn2 269982a_100011647598_100016277853 [0,0,0,0,0,0|1,0,0]=1 6 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)Cc1cccc2c1ccnc2 269982a_100011757366_100016277853 [0,0,0,0,0,0|1,0,0]=1 7 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)Cc1cccc2c1nccc2 269982a_102515433035_100016277853 [0,0,0,0,0,0|1,0,0]=1 8 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)Cc1ccnc2c1cccc2 269982a_100011649695_100016277853 [0,0,0,0,0,0|1,0,0]=1 9 B23R2.245519601 CN(C/C=C/C#CC(C)(C)C)Cc1cncc2c1cccc2 269982a_114948179032_100016277853 [0,0,0,0,0,0|1,0,0]=1 10 B23R2.245519601 CN(CC=CC#CC(C)(C)C)CC1OCCc2c1cccc2 2230a_100015203942_100000008102 [0,0,0,0,0,0|1,0,3]=4 11 B23R2.245519601 CN(CC=CC#CC(C)(C)C)CC1OCCc2c1cccc2 269982a_100015203942_100000008102 [0,0,0,0,0,0|1,0,3]=4 12 B23R2.245519601 CN(CC=CC#CC(C)(C)C)CC1OCCc2c1cccc2 34a_100015203942_100000008102 [0,0,0,0,0,0|1,0,3]=4 13 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1cccc2 2230a_100000741213_100000008102 [0,0,0,0,0,0|0,0,0]=0 14 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1cccc2 269982a_100000741213_100000008102 [0,0,0,0,0,0|0,0,0]=0 15 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1cccn2 2230a_100011647598_100000008102 [0,0,0,0,0,0|1,0,0]=1 16 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1cccn2 269982a_100011647598_100000008102 [0,0,0,0,0,0|1,0,0]=1 17 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1ccnc2 2230a_100011757366_100000008102 [0,0,0,0,0,0|1,0,0]=1 18 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1ccnc2 269982a_100011757366_100000008102 [0,0,0,0,0,0|1,0,0]=1 19 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1nccc2 2230a_102515433035_100000008102 [0,0,0,0,0,0|1,0,0]=1 20 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1nccc2 269982a_102515433035_100000008102 [0,0,0,0,0,0|1,0,0]=1 21 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1ccnc2c1cccc2 2230a_100011649695_100000008102 [0,0,0,0,0,0|1,0,0]=1 22 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1ccnc2c1cccc2 269982a_100011649695_100000008102 [0,0,0,0,0,0|1,0,0]=1 23 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cncc2c1cccc2 2230a_114948179032_100000008102 [0,0,0,0,0,0|1,0,0]=1 24 B23R2.245519601 CN(CC=CC#CC(C)(C)C)Cc1cncc2c1cccc2 269982a_114948179032_100000008102 [0,0,0,0,0,0|1,0,0]=1 25 B22R2.95511992 CC(C)(C)C#C/C=C/CNCc1cccc2c1cccc2 34a_100000753325_100016277853 [1,0,0,0,0,0|0,0,0]=1 26 B22R2.95511992 CC(C)(C)C#C/C=C/COCc1cccc2c1cccc2 34a_100011216843_100016277853 [1,0,0,0,0,0|1,0,0]=2 27 B22R2.95511992 CC(C)(C)C#C/C=C/COCc1cccc2c1cccc2 7a_100011216843_100016277853 [1,0,0,0,0,0|1,0,0]=2 28 B22R2.95511992 CC(C)(C)C#C/C=C/COCc1cccc2c1cccn2 34a_100000709871_100016277853 [1,0,0,0,0,0|2,0,0]=3 29 B22R2.95511992 CC(C)(C)C#C/C=C/COCc1cccc2c1nccc2 34a_100011303629_100016277853 [1,0,0,0,0,0|2,0,0]=3 30 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1cccc2c1cccc2 62a_100011261445_100016277853 [1,0,0,0,0,0|1,0,0]=2 31 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1cccc2c1cccc2 62a_100016277853_100000188474 [1,0,0,0,0,0|1,0,0]=2 32 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1cccc2c1ccnc2 62a_100016277853_100016989825 [1,0,0,0,0,0|2,0,0]=3 33 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1cccc2c1ccnc2 62a_100016989825_100016277853 [1,0,0,0,0,0|2,0,0]=3 34 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1cccc2c1nccc2 62a_100016277853_100000241032 [1,0,0,0,0,0|2,0,0]=3 35 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1ccnc2c1cccc2 62a_100015192512_100016277853 [1,0,0,0,0,0|2,0,0]=3 36 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1ccnc2c1cccc2 62a_100016277853_100015192512 [1,0,0,0,0,0|2,0,0]=3 37 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1nccc2c1cccc2 62a_100000033776_100016277853 [1,0,0,0,0,0|2,0,0]=3 38 B22R2.95511992 CC(C)(C)C#C/C=C/CSCc1nccc2c1cccc2 62a_100016277853_100000033776 [1,0,0,0,0,0|2,0,0]=3 39 B22R2.95511992 CC(C)(C)C#CC=CCNCc1cccc2c1cccc2 34a_100000753325_100000008102 [1,0,0,0,0,0|0,0,0]=1 40 B22R2.95511992 CC(C)(C)C#CC=CCOCc1cccc2c1cccc2 34a_100011216843_100000008102 [1,0,0,0,0,0|1,0,0]=2 41 B22R2.95511992 CC(C)(C)C#CC=CCOCc1cccc2c1cccc2 7a_100011216843_100000008102 [1,0,0,0,0,0|1,0,0]=2 42 B22R2.95511992 CC(C)(C)C#CC=CCOCc1cccc2c1cccn2 34a_100000709871_100000008102 [1,0,0,0,0,0|2,0,0]=3 43 B22R2.95511992 CC(C)(C)C#CC=CCOCc1cccc2c1nccc2 34a_100011303629_100000008102 [1,0,0,0,0,0|2,0,0]=3 44 B22R2.95511992 CC(C)(C)C#CC=CCSCc1cccc2c1cccc2 62a_100000008102_100000188474 [1,0,0,0,0,0|1,0,0]=2 45 B22R2.95511992 CC(C)(C)C#CC=CCSCc1cccc2c1cccc2 62a_100011261445_100000008102 [1,0,0,0,0,0|1,0,0]=2 46 B22R2.95511992 CC(C)(C)C#CC=CCSCc1cccc2c1ccnc2 62a_100000008102_100016989825 [1,0,0,0,0,0|2,0,0]=3 47 B22R2.95511992 CC(C)(C)C#CC=CCSCc1cccc2c1ccnc2 62a_100016989825_100000008102 [1,0,0,0,0,0|2,0,0]=3 48 B22R2.95511992 CC(C)(C)C#CC=CCSCc1cccc2c1nccc2 62a_100000008102_100000241032 [1,0,0,0,0,0|2,0,0]=3 49 B22R2.95511992 CC(C)(C)C#CC=CCSCc1ccnc2c1cccc2 62a_100000008102_100015192512 [1,0,0,0,0,0|2,0,0]=3 50 B22R2.95511992 CC(C)(C)C#CC=CCSCc1ccnc2c1cccc2 62a_100015192512_100000008102 [1,0,0,0,0,0|2,0,0]=3 51 B22R2.95511992 CC(C)(C)C#CC=CCSCc1nccc2c1cccc2 62a_100000008102_100000033776 [1,0,0,0,0,0|2,0,0]=3 52 B22R2.95511992 CC(C)(C)C#CC=CCSCc1nccc2c1cccc2 62a_100000033776_100000008102 [1,0,0,0,0,0|2,0,0]=3 53 B22R2.95511992 C[Si](C)(C)C#CCCCNCc1cccc2c1cccc2 34a_100000753325_200000066390 [1,0,0,0,0,0|0,1,2]=4 54 B24R2.84326408 CC(C)(C)C#C/C=C/CC(=O)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_100016277853 [0,1,0,0,0,0|3,0,0]=4 55 B24R2.84326408 CC(C)(C)C#CC=CCC(=O)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_100000008102 [0,1,0,0,0,0|3,0,0]=4 56 B24R2.406006725 C[C@H](c1cccc2c1cccc2)N(C)C/C=C/C#CC(C)(C)C 269982a_100009815097_100016277853 [0,1,0,0,0,0|0,0,0]=1 57 B24R2.406006725 C[C@H](c1cccc2c1cccc2)N(C)CC=CC#CC(C)(C)C 2230a_100009815097_100000008102 [0,1,0,0,0,0|0,0,0]=1 58 B24R2.406006725 C[C@H](c1cccc2c1cccc2)N(C)CC=CC#CC(C)(C)C 269982a_100009815097_100000008102 [0,1,0,0,0,0|0,0,0]=1 59 B22R1.1436839 C=CCOc1cccc(c1)CN(C)C/C=C/C#CC(C)(C)C 269982a_100015187792_100016277853 [0,0,1,0,0,0|1,0,1]=3 60 B22R1.1436839 C=CCOc1cccc(c1)CN(C)CC=CC#CC(C)(C)C 2230a_100015187792_100000008102 [0,0,1,0,0,0|1,0,1]=3 61 B22R1.1436839 C=CCOc1cccc(c1)CN(C)CC=CC#CC(C)(C)C 269982a_100015187792_100000008102 [0,0,1,0,0,0|1,0,1]=3 62 B24R3.5572937 CC(C)(C)C#C/C=C/CN1Cc2cccc3c2c(ccc3)C1 269982a_100102583503_100016277853 [0,0,0,1,0,0|0,0,0]=1 63 B24R3.5572937 CC(C)(C)C#C/C=C/CN1Cc2cccc3c2c(ccc3)C1 34a_100102583503_100016277853 [0,0,0,1,0,0|0,0,0]=1 64 B24R3.5572937 CC(C)(C)C#CC=CCN1Cc2cccc3c2c(ccc3)C1 2230a_100102583503_100000008102 [0,0,0,1,0,0|0,0,0]=1 65 B24R3.5572937 CC(C)(C)C#CC=CCN1Cc2cccc3c2c(ccc3)C1 269982a_100102583503_100000008102 [0,0,0,1,0,0|0,0,0]=1 66 B24R3.5572937 CC(C)(C)C#CC=CCN1Cc2cccc3c2c(ccc3)C1 34a_100102583503_100000008102 [0,0,0,1,0,0|0,0,0]=1 67 B24R3.5572937 C[Si](C)(C)C#CCCCN1Cc2cccc3c2c(ccc3)C1 34a_100102583503_200000066390 [0,0,0,1,0,0|0,1,2]=4 68 B22R2.15463 CC(C)(C)C#C/C=C/CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100016277853 [0,0,0,0,1,0|3,0,0]=4 69 B22R2.15463 CC(C)(C)C#C/C=C/CC(=O)Cc1coc2c1cccc2 1458a_100000217546_100016277853 [0,0,0,0,1,0|3,0,0]=4 70 B22R2.15463 CC(C)(C)C#C/C=C/CC(=O)Cc1csc2c1cccc2 1458a_100000741031_100016277853 [0,0,0,0,1,0|3,0,0]=4 71 B22R2.15463 CC(C)(C)C#C/C=C/CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_100016277853 [0,0,0,0,1,0|3,0,0]=4 72 B22R2.15463 CC(C)(C)C#CC=CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000008102 [0,0,0,0,1,0|3,0,0]=4 73 B22R2.15463 CC(C)(C)C#CC=CCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000008102 [0,0,0,0,1,0|3,0,0]=4 74 B22R2.15463 CC(C)(C)C#CC=CCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000008102 [0,0,0,0,1,0|3,0,0]=4 75 B22R2.15463 CC(C)(C)C#CC=CCC(=O)Cn1ccc2c1cccc2 1458a_100000743657_100000008102 [0,0,0,0,1,0|3,0,0]=4 76 B22R2.15463 CN(C/C=C/C#CC(C)(C)C)Cc1cnc2n1cccc2 269982a_100015184908_100016277853 [0,0,0,0,1,0|2,0,0]=3 77 B22R2.15463 CN(CC=CC#CC(C)(C)C)Cc1cnc2n1cccc2 2230a_100015184908_100000008102 [0,0,0,0,1,0|2,0,0]=3 78 B22R2.15463 CN(CC=CC#CC(C)(C)C)Cc1cnc2n1cccc2 269982a_100015184908_100000008102 [0,0,0,0,1,0|2,0,0]=3 79 B22R2.35086890 CC(C)(C)C#C/C=C/CC(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_100016277853 [0,0,0,0,1,0|3,0,0]=4 80 B22R2.35086890 CC(C)(C)C#C/C=C/CC(=O)Cc1cccc2c1cco2 1458a_100000077588_100016277853 [0,0,0,0,1,0|3,0,0]=4 81 B22R2.35086890 CC(C)(C)C#CC=CCC(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_100000008102 [0,0,0,0,1,0|3,0,0]=4 82 B22R2.35086890 CC(C)(C)C#CC=CCC(=O)Cc1cccc2c1cco2 1458a_100000077588_100000008102 [0,0,0,0,1,0|3,0,0]=4 83 B22R2.35086890 CN(C/C=C/C#CC(C)(C)C)Cc1cccc2c1cc[nH]2 269982a_100000719444_100016277853 [0,0,0,0,1,0|1,0,0]=2 84 B22R2.35086890 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1cc[nH]2 2230a_100000719444_100000008102 [0,0,0,0,1,0|1,0,0]=2 85 B22R2.35086890 CN(CC=CC#CC(C)(C)C)Cc1cccc2c1cc[nH]2 269982a_100000719444_100000008102 [0,0,0,0,1,0|1,0,0]=2 86 B22R2.126863981 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1cccc2 1458a_100000210949_100016277853 [0,0,0,0,1,0|2,0,0]=3 87 B22R2.126863981 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1cccn2 1458a_100000241005_100016277853 [0,0,0,0,1,0|3,0,0]=4 88 B22R2.126863981 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1ccnc2 1458a_100011290933_100016277853 [0,0,0,0,1,0|3,0,0]=4 89 B22R2.126863981 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1cncc2 1458a_100011356482_100016277853 [0,0,0,0,1,0|3,0,0]=4 90 B22R2.126863981 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1nccc2 1458a_100000195423_100016277853 [0,0,0,0,1,0|3,0,0]=4 91 B22R2.126863981 CC(C)(C)C#CC=CCC(=O)c1cccc2c1cccc2 1458a_100000210949_100000008102 [0,0,0,0,1,0|2,0,0]=3 92 B22R2.126863981 CC(C)(C)C#CC=CCC(=O)c1cccc2c1cccn2 1458a_100000241005_100000008102 [0,0,0,0,1,0|3,0,0]=4 93 B22R2.126863981 CC(C)(C)C#CC=CCC(=O)c1cccc2c1ccnc2 1458a_100011290933_100000008102 [0,0,0,0,1,0|3,0,0]=4 94 B22R2.126863981 CC(C)(C)C#CC=CCC(=O)c1cccc2c1cncc2 1458a_100011356482_100000008102 [0,0,0,0,1,0|3,0,0]=4 95 B22R2.126863981 CC(C)(C)C#CC=CCC(=O)c1cccc2c1nccc2 1458a_100000195423_100000008102 [0,0,0,0,1,0|3,0,0]=4 96 B22R2.126863981 CN(C/C=C/C#CC(C)(C)C)c1cccc2c1cccc2 269982a_100000220138_100016277853 [0,0,0,0,1,0|0,0,0]=1 97 B22R2.126863981 CN(C/C=C/C#CC(C)(C)C)c1cccc2c1cccc2 34a_100000220138_100016277853 [0,0,0,0,1,0|0,0,0]=1 98 B22R2.126863981 CN(CC=CC#CC(C)(C)C)c1cccc2c1cccc2 2230a_100000220138_100000008102 [0,0,0,0,1,0|0,0,0]=1 99 B22R2.126863981 CN(CC=CC#CC(C)(C)C)c1cccc2c1cccc2 269982a_100000220138_100000008102 [0,0,0,0,1,0|0,0,0]=1 100 B22R2.126863981 CN(CC=CC#CC(C)(C)C)c1cccc2c1cccc2 34a_100000220138_100000008102 [0,0,0,0,1,0|0,0,0]=1 101 B22R2.126863981 CN(CCCC#C[Si](C)(C)C)c1cccc2c1cccc2 34a_100000220138_200000066390 [0,0,0,0,1,0|0,1,2]=4 102 B24R2.406157045 CC(C)(C)C#C/C=C/CC(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_100016277853 [0,0,0,0,0,1|2,0,1]=4 103 B24R2.406157045 CC(C)(C)C#C/C=C/CC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100016277853 [0,0,0,0,0,1|2,0,0]=3 104 B24R2.406157045 CC(C)(C)C#C/C=C/CC(=O)COc1cccc2c1cccc2 1458a_100000183701_100016277853 [0,0,0,0,0,1|2,0,0]=3 105 B24R2.406157045 CC(C)(C)C#C/C=C/CC(=O)COc1cccc2c1nccc2 1458a_100000182336_100016277853 [0,0,0,0,0,1|3,0,0]=4 106 B24R2.406157045 CC(C)(C)C#CC=CCC(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_100000008102 [0,0,0,0,0,1|2,0,1]=4 107 B24R2.406157045 CC(C)(C)C#CC=CCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100000008102 [0,0,0,0,0,1|2,0,0]=3 108 B24R2.406157045 CC(C)(C)C#CC=CCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000008102 [0,0,0,0,0,1|2,0,0]=3 109 B24R2.406157045 CC(C)(C)C#CC=CCC(=O)COc1cccc2c1nccc2 1458a_100000182336_100000008102 [0,0,0,0,0,1|3,0,0]=4 110 B23R1.1971514 C=CCOc1ccccc1CN(CC)C/C=C/C#CC(C)(C)C 269982a_200015187168_100016277853 [0,1,1,0,0,0|1,0,1]=4 111 B23R1.1971514 C=CCOc1ccccc1CN(CC)CC=CC#CC(C)(C)C 2230a_200015187168_100000008102 [0,1,1,0,0,0|1,0,1]=4 112 B23R1.1971514 C=CCOc1ccccc1CN(CC)CC=CC#CC(C)(C)C 269982a_200015187168_100000008102 [0,1,1,0,0,0|1,0,1]=4 113 B23R1.1947734 C=CCOc1cccc(c1)CN(CC)C/C=C/C#CC(C)(C)C 269982a_100015184663_100016277853 [0,1,1,0,0,0|1,0,1]=4 114 B23R1.1947734 C=CCOc1cccc(c1)CN(CC)CC=CC#CC(C)(C)C 2230a_100015184663_100000008102 [0,1,1,0,0,0|1,0,1]=4 115 B23R1.1947734 C=CCOc1cccc(c1)CN(CC)CC=CC#CC(C)(C)C 269982a_100015184663_100000008102 [0,1,1,0,0,0|1,0,1]=4 116 B23R2.377218 CC(C)(C)C#C/C=C/CSCc1cc(nc2c1cccc2)Cl 62a_100016277853_200010137201 [1,1,0,0,0,0|2,0,0]=4 117 B23R2.377218 CC(C)(C)C#C/C=C/CSCc1cc(nc2c1cccc2)Cl 62a_200010137201_100016277853 [1,1,0,0,0,0|2,0,0]=4 118 B23R2.377218 CC(C)(C)C#C/C=C/CSCc1cc(nc2c1cccc2)O 62a_100016277853_100000187625 [1,1,0,0,0,0|2,0,0]=4 119 B23R2.377218 CC(C)(C)C#CC=CCSCc1cc(nc2c1cccc2)Cl 62a_100000008102_200010137201 [1,1,0,0,0,0|2,0,0]=4 120 B23R2.377218 CC(C)(C)C#CC=CCSCc1cc(nc2c1cccc2)Cl 62a_200010137201_100000008102 [1,1,0,0,0,0|2,0,0]=4 121 B23R2.377218 CC(C)(C)C#CC=CCSCc1cc(nc2c1cccc2)O 62a_100000008102_100000187625 [1,1,0,0,0,0|2,0,0]=4 122 B23R2.377218 Cc1cc(c2ccccc2n1)COC/C=C/C#CC(C)(C)C 34a_100000745220_100016277853 [1,1,0,0,0,0|2,0,0]=4 123 B23R2.377218 Cc1cc(c2ccccc2n1)COCC=CC#CC(C)(C)C 34a_100000745220_100000008102 [1,1,0,0,0,0|2,0,0]=4 124 B23R2.377218 Cc1cc(c2ccccc2n1)CSC/C=C/C#CC(C)(C)C 62a_100000755639_100016277853 [1,1,0,0,0,0|2,0,0]=4 125 B23R2.377218 Cc1cc(c2ccccc2n1)CSC/C=C/C#CC(C)(C)C 62a_100016277853_100000755639 [1,1,0,0,0,0|2,0,0]=4 126 B23R2.377218 Cc1cc(c2ccccc2n1)CSCC=CC#CC(C)(C)C 62a_100000008102_100000755639 [1,1,0,0,0,0|2,0,0]=4 127 B23R2.377218 Cc1cc(c2ccccc2n1)CSCC=CC#CC(C)(C)C 62a_100000755639_100000008102 [1,1,0,0,0,0|2,0,0]=4 128 B23R2.398499 CC(C)(C)C#C/C=C/COCc1c(ccc2c1nccc2)Cl 34a_100000698065_100016277853 [1,1,0,0,0,0|2,0,0]=4 129 B23R2.398499 CC(C)(C)C#CC=CCOCc1c(ccc2c1nccc2)Cl 34a_100000698065_100000008102 [1,1,0,0,0,0|2,0,0]=4 130 B23R2.398499 Cc1ccc2ccccc2c1CSC/C=C/C#CC(C)(C)C 62a_100000689653_100016277853 [1,1,0,0,0,0|1,0,0]=3 131 B23R2.398499 Cc1ccc2ccccc2c1CSC/C=C/C#CC(C)(C)C 62a_100016277853_100000689653 [1,1,0,0,0,0|1,0,0]=3 132 B23R2.398499 Cc1ccc2ccccc2c1CSCC=CC#CC(C)(C)C 62a_100000008102_100000689653 [1,1,0,0,0,0|1,0,0]=3 133 B23R2.398499 Cc1ccc2ccccc2c1CSCC=CC#CC(C)(C)C 62a_100000689653_100000008102 [1,1,0,0,0,0|1,0,0]=3 134 B23R2.8044420 CC(C)(C)C#C/C=C/CNCc1ccc(c2c1cccc2)Br 34a_100016995114_100016277853 [1,1,0,0,0,0|0,0,0]=2 135 B23R2.8044420 CC(C)(C)C#C/C=C/COCc1ccc(c2c1cccc2)F 34a_100011988714_100016277853 [1,1,0,0,0,0|1,0,0]=3 136 B23R2.8044420 CC(C)(C)C#C/C=C/COCc1ccc(c2c1cccc2)F 7a_100011988714_100016277853 [1,1,0,0,0,0|1,0,0]=3 137 B23R2.8044420 CC(C)(C)C#C/C=C/CSCc1ccc(c2c1cccc2)F 62a_100011988723_100016277853 [1,1,0,0,0,0|1,0,0]=3 138 B23R2.8044420 CC(C)(C)C#C/C=C/CSCc1ccc(c2c1cccc2)F 62a_100016277853_100011988723 [1,1,0,0,0,0|1,0,0]=3 139 B23R2.8044420 CC(C)(C)C#C/C=C/CSCc1ccc(c2c1cccn2)O 62a_100016277853_100000683097 [1,1,0,0,0,0|2,0,0]=4 140 B23R2.8044420 CC(C)(C)C#CC=CCNCc1ccc(c2c1cccc2)Br 34a_100016995114_100000008102 [1,1,0,0,0,0|0,0,0]=2 141 B23R2.8044420 CC(C)(C)C#CC=CCOCc1ccc(c2c1cccc2)F 34a_100011988714_100000008102 [1,1,0,0,0,0|1,0,0]=3 142 B23R2.8044420 CC(C)(C)C#CC=CCOCc1ccc(c2c1cccc2)F 7a_100011988714_100000008102 [1,1,0,0,0,0|1,0,0]=3 143 B23R2.8044420 CC(C)(C)C#CC=CCSCc1ccc(c2c1cccc2)F 62a_100000008102_100011988723 [1,1,0,0,0,0|1,0,0]=3 144 B23R2.8044420 CC(C)(C)C#CC=CCSCc1ccc(c2c1cccc2)F 62a_100011988723_100000008102 [1,1,0,0,0,0|1,0,0]=3 145 B23R2.8044420 CC(C)(C)C#CC=CCSCc1ccc(c2c1cccn2)O 62a_100000008102_100000683097 [1,1,0,0,0,0|2,0,0]=4 146 B23R2.8044420 Cc1ccc(c2c1cccc2)COC/C=C/C#CC(C)(C)C 34a_200011995996_100016277853 [1,1,0,0,0,0|1,0,0]=3 147 B23R2.8044420 Cc1ccc(c2c1cccc2)COC/C=C/C#CC(C)(C)C 7a_200011995996_100016277853 [1,1,0,0,0,0|1,0,0]=3 148 B23R2.8044420 Cc1ccc(c2c1cccc2)COCC=CC#CC(C)(C)C 34a_200011995996_100000008102 [1,1,0,0,0,0|1,0,0]=3 149 B23R2.8044420 Cc1ccc(c2c1cccc2)COCC=CC#CC(C)(C)C 7a_200011995996_100000008102 [1,1,0,0,0,0|1,0,0]=3 150 B23R2.8044420 Cc1ccc(c2c1cccc2)CSC/C=C/C#CC(C)(C)C 62a_100012073487_100016277853 [1,1,0,0,0,0|1,0,0]=3 151 B23R2.8044420 Cc1ccc(c2c1cccc2)CSC/C=C/C#CC(C)(C)C 62a_100016277853_100012073487 [1,1,0,0,0,0|1,0,0]=3 152 B23R2.8044420 Cc1ccc(c2c1cccc2)CSCC=CC#CC(C)(C)C 62a_100000008102_100012073487 [1,1,0,0,0,0|1,0,0]=3 153 B23R2.8044420 Cc1ccc(c2c1cccc2)CSCC=CC#CC(C)(C)C 62a_100012073487_100000008102 [1,1,0,0,0,0|1,0,0]=3 154 B23R2.53161218 CC(C)(C)C#C/C=C/COCc1cccc2c1c(ccc2)Br 34a_200009814114_100016277853 [1,1,0,0,0,0|1,0,0]=3 155 B23R2.53161218 CC(C)(C)C#C/C=C/COCc1cccc2c1c(ccc2)Br 7a_200009814114_100016277853 [1,1,0,0,0,0|1,0,0]=3 156 B23R2.53161218 CC(C)(C)C#CC=CCOCc1cccc2c1c(ccc2)Br 34a_200009814114_100000008102 [1,1,0,0,0,0|1,0,0]=3 157 B23R2.53161218 CC(C)(C)C#CC=CCOCc1cccc2c1c(ccc2)Br 7a_200009814114_100000008102 [1,1,0,0,0,0|1,0,0]=3 158 B23R2.245541889 C[C@H](NCC=CC#CC(C)(C)C)c1cccc2c1cccc2 2230a_100011830313_100000008102 [1,1,0,0,0,0|0,0,0]=2 159 B23R2.245541889 C[C@H](OC/C=C/C#CC(C)(C)C)c1cccc2c1cccc2 34a_100011852130_100016277853 [1,1,0,0,0,0|1,0,0]=3 160 B23R2.245541889 C[C@H](OC/C=C/C#CC(C)(C)C)c1cccc2c1cccc2 7a_100011852130_100016277853 [1,1,0,0,0,0|1,0,0]=3 161 B23R2.245541889 C[C@H](OCC=CC#CC(C)(C)C)c1cccc2c1cccc2 34a_100011852130_100000008102 [1,1,0,0,0,0|1,0,0]=3 162 B23R2.245541889 C[C@H](OCC=CC#CC(C)(C)C)c1cccc2c1cccc2 7a_100011852130_100000008102 [1,1,0,0,0,0|1,0,0]=3 163 B23R2.245604269 CN(CC(=O)OCC(C)(C)C)Cc1cccc2c1cccc2 2230a_100000741213_200010402935 [0,1,0,0,1,0|1,0,1]=4 164 B23R2.245604269 CN(CC(=O)OCC(C)(C)C)Cc1cccc2c1cccc2 269982a_100000741213_200010402935 [0,1,0,0,1,0|1,0,1]=4 165 B23R2.245614507 CN(CCC(=O)NC(C)(C)C)Cc1cccc2c1cccc2 2230a_100000741213_100011194433 [0,1,0,0,1,0|1,0,1]=4 166 B23R2.245614507 CN(CCC(=O)NC(C)(C)C)Cc1cccc2c1cccc2 269982a_100000741213_100011194433 [0,1,0,0,1,0|1,0,1]=4 167 B23R2.245614507 CN(CCC(=O)OC(C)(C)C)Cc1cccc2c1cccc2 2230a_100000687418_100011261445 [0,1,0,0,1,0|1,0,1]=4 168 B23R2.245614507 CN(CCC(=O)OC(C)(C)C)Cc1cccc2c1cccc2 2230a_100000741213_100009816755 [0,1,0,0,1,0|1,0,1]=4 169 B23R2.245614507 CN(CCC(=O)OC(C)(C)C)Cc1cccc2c1cccc2 269982a_100000687418_100000188474 [0,1,0,0,1,0|1,0,1]=4 170 B23R2.245614507 CN(CCC(=O)OC(C)(C)C)Cc1cccc2c1cccc2 270004a_100000687418_100000210074 [0,1,0,0,1,0|1,0,1]=4 171 B23R2.245614507 CN(COC(=O)CC(C)(C)C)Cc1cccc2c1cccc2 2230a_100000741213_200010999194 [0,1,0,0,1,0|1,0,1]=4 172 B23R2.245614507 CN(COC(=O)CC(C)(C)C)Cc1cccc2c1cccc2 269982a_100000741213_200010999194 [0,1,0,0,1,0|1,0,1]=4 173 B23R2.181083 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_100016277853 [0,1,0,0,1,0|2,0,0]=4 174 B23R2.181083 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_100016277853 [0,1,0,0,1,0|2,0,0]=4 175 B23R2.181083 CC(C)(C)C#CC=CCC(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_100000008102 [0,1,0,0,1,0|2,0,0]=4 176 B23R2.181083 CC(C)(C)C#CC=CCC(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_100000008102 [0,1,0,0,1,0|2,0,0]=4 177 B23R2.377261 CC(C)(C)C#C/C=C/CC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_100016277853 [0,1,0,0,1,0|2,0,0]=4 178 B23R2.377261 CC(C)(C)C#C/C=C/CC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_100016277853 [0,1,0,0,1,0|2,0,0]=4 179 B23R2.377261 CC(C)(C)C#CC=CCC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_100000008102 [0,1,0,0,1,0|2,0,0]=4 180 B23R2.377261 CC(C)(C)C#CC=CCC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_100000008102 [0,1,0,0,1,0|2,0,0]=4 181 B23R2.397892 CC(C)(C)C#C/C=C/CC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_100016277853 [0,1,0,0,1,0|2,0,0]=4 182 B23R2.397892 CC(C)(C)C#CC=CCC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_100000008102 [0,1,0,0,1,0|2,0,0]=4 183 B23R2.397892 Cc1ccc2ccccc2c1C(=O)C/C=C/C#CC(C)(C)C 1458a_100011933975_100016277853 [0,1,0,0,1,0|2,0,0]=4 184 B23R2.397892 Cc1ccc2ccccc2c1C(=O)CC=CC#CC(C)(C)C 1458a_100011933975_100000008102 [0,1,0,0,1,0|2,0,0]=4 185 B23R2.5060937 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1cc(cc2)Br 1458a_100010238973_100016277853 [0,1,0,0,1,0|2,0,0]=4 186 B23R2.5060937 CC(C)(C)C#CC=CCC(=O)c1cccc2c1cc(cc2)Br 1458a_100010238973_100000008102 [0,1,0,0,1,0|2,0,0]=4 187 B23R2.7871912 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1cccc2Br 1458a_100000188299_100016277853 [0,1,0,0,1,0|2,0,0]=4 188 B23R2.7871912 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1cccc2F 1458a_200000069828_100016277853 [0,1,0,0,1,0|2,0,0]=4 189 B23R2.7871912 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1cccc2O 1458a_100009866505_100016277853 [0,1,0,0,1,0|2,0,0]=4 190 B23R2.7871912 CC(C)(C)C#CC=CCC(=O)c1cccc2c1cccc2Br 1458a_100000188299_100000008102 [0,1,0,0,1,0|2,0,0]=4 191 B23R2.7871912 CC(C)(C)C#CC=CCC(=O)c1cccc2c1cccc2F 1458a_200000069828_100000008102 [0,1,0,0,1,0|2,0,0]=4 192 B23R2.7871912 CC(C)(C)C#CC=CCC(=O)c1cccc2c1cccc2O 1458a_100009866505_100000008102 [0,1,0,0,1,0|2,0,0]=4 193 B23R2.8044463 CC(C)(C)C#C/C=C/CC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_100016277853 [0,1,0,0,1,0|2,0,0]=4 194 B23R2.8044463 CC(C)(C)C#C/C=C/CC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100016277853 [0,1,0,0,1,0|2,0,0]=4 195 B23R2.8044463 CC(C)(C)C#C/C=C/CC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_100016277853 [0,1,0,0,1,0|2,0,0]=4 196 B23R2.8044463 CC(C)(C)C#CC=CCC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_100000008102 [0,1,0,0,1,0|2,0,0]=4 197 B23R2.8044463 CC(C)(C)C#CC=CCC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100000008102 [0,1,0,0,1,0|2,0,0]=4 198 B23R2.8044463 CC(C)(C)C#CC=CCC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_100000008102 [0,1,0,0,1,0|2,0,0]=4 199 B23R2.8044463 Cc1ccc(c2c1cccc2)C(=O)C/C=C/C#CC(C)(C)C 1458a_100011217726_100016277853 [0,1,0,0,1,0|2,0,0]=4 200 B23R2.8044463 Cc1ccc(c2c1cccc2)C(=O)CC=CC#CC(C)(C)C 1458a_100011217726_100000008102 [0,1,0,0,1,0|2,0,0]=4 201 B23R2.53161257 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1c(ccc2)Br 1458a_100000698601_100016277853 [0,1,0,0,1,0|2,0,0]=4 202 B23R2.53161257 CC(C)(C)C#C/C=C/CC(=O)c1cccc2c1c(ccc2)I 1458a_100000040841_100016277853 [0,1,0,0,1,0|2,0,0]=4 203 B23R2.53161257 CC(C)(C)C#CC=CCC(=O)c1cccc2c1c(ccc2)Br 1458a_100000698601_100000008102 [0,1,0,0,1,0|2,0,0]=4 204 B23R2.53161257 CC(C)(C)C#CC=CCC(=O)c1cccc2c1c(ccc2)I 1458a_100000040841_100000008102 [0,1,0,0,1,0|2,0,0]=4 205 B23R2.53161257 Cc1cccc2c1c(ccc2)C(=O)C/C=C/C#CC(C)(C)C 1458a_100009854087_100016277853 [0,1,0,0,1,0|2,0,0]=4 206 B23R2.53161257 Cc1cccc2c1c(ccc2)C(=O)CC=CC#CC(C)(C)C 1458a_100009854087_100000008102 [0,1,0,0,1,0|2,0,0]=4 207 B23R2.377682347 CCN(C/C=C/C#CC(C)(C)C)c1cccc2c1cccc2 269982a_100000185437_100016277853 [0,1,0,0,1,0|0,0,0]=2 208 B23R2.377682347 CCN(C/C=C/C#CC(C)(C)C)c1cccc2c1cccc2 34a_100000185437_100016277853 [0,1,0,0,1,0|0,0,0]=2 209 B23R2.377682347 CCN(CC=CC#CC(C)(C)C)c1cccc2c1cccc2 2230a_100000185437_100000008102 [0,1,0,0,1,0|0,0,0]=2 210 B23R2.377682347 CCN(CC=CC#CC(C)(C)C)c1cccc2c1cccc2 269982a_100000185437_100000008102 [0,1,0,0,1,0|0,0,0]=2 211 B23R2.377682347 CCN(CC=CC#CC(C)(C)C)c1cccc2c1cccc2 34a_100000185437_100000008102 [0,1,0,0,1,0|0,0,0]=2 212 B25R2.126919973 CC(C)(C)C#C/C=C/CC(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_100016277853 [0,1,0,0,0,1|2,0,0]=4 213 B25R2.126919973 CC(C)(C)C#C/C=C/CC(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_100016277853 [0,1,0,0,0,1|2,0,0]=4 214 B25R2.126919973 CC(C)(C)C#CC=CCC(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_100000008102 [0,1,0,0,0,1|2,0,0]=4 215 B25R2.126919973 CC(C)(C)C#CC=CCC(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_100000008102 [0,1,0,0,0,1|2,0,0]=4 216 B25R2.126919973 Cc1ccc(c2c1cccc2)CCC(=O)C/C=C/C#CC(C)(C)C 1458a_200010294770_100016277853 [0,1,0,0,0,1|2,0,0]=4 217 B25R2.126919973 Cc1ccc(c2c1cccc2)CCC(=O)CC=CC#CC(C)(C)C 1458a_200010294770_100000008102 [0,1,0,0,0,1|2,0,0]=4 218 B25R2.658347580 CC(Oc1cccc2c1cccc2)C(=O)C/C=C/C#CC(C)(C)C 1458a_100000216494_100016277853 [0,1,0,0,0,1|2,0,0]=4 219 B25R2.658347580 CC(Oc1cccc2c1cccc2)C(=O)CC=CC#CC(C)(C)C 1458a_100000216494_100000008102 [0,1,0,0,0,1|2,0,0]=4 220 B25R2.14730534 CC(C)(C)C#C/C=C/CC(=O)C(O)c1c(ccc2c1cccc2)O 1458a_100000068390_100016277853 [0,2,0,0,0,0|2,0,0]=4 221 B25R2.14730534 CC(C)(C)C#CC=CCC(=O)C(O)c1c(ccc2c1cccc2)O 1458a_100000068390_100000008102 [0,2,0,0,0,0|2,0,0]=4 222 B25R2.49609937 COc1ccc2cccc(c2c1)CC(=O)C/C=C/C#CC(C)(C)C 1458a_100000692902_100016277853 [0,2,0,0,0,0|2,0,0]=4 223 B25R2.49609937 COc1ccc2cccc(c2c1)CC(=O)CC=CC#CC(C)(C)C 1458a_100000692902_100000008102 [0,2,0,0,0,0|2,0,0]=4 224 B25R2.1862856828 CC(C)(C)C#C/C=C/CC(=O)C(C)(C)c1cccc2c1cccc2 1458a_200011667336_100016277853 [0,2,0,0,0,0|2,0,0]=4 225 B25R2.1862856828 CC(C)(C)C#CC=CCC(=O)C(C)(C)c1cccc2c1cccc2 1458a_200011667336_100000008102 [0,2,0,0,0,0|2,0,0]=4 226 B23R2.477863 CN(C/C=C/C#CC(C)(C)C)CCn1ccc2c1cccc2 269982a_100015183269_100016277853 [0,0,1,1,0,0|1,0,1]=4 227 B23R2.477863 CN(CC=CC#CC(C)(C)C)CCn1ccc2c1cccc2 2230a_100015183269_100000008102 [0,0,1,1,0,0|1,0,1]=4 228 B23R2.477863 CN(CC=CC#CC(C)(C)C)CCn1ccc2c1cccc2 269982a_100015183269_100000008102 [0,0,1,1,0,0|1,0,1]=4 229 B23R2.15687077 CC(C)(C)C#C/C=C/CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100016277853 [0,0,1,1,0,0|2,0,0]=4 230 B23R2.15687077 CC(C)(C)C#CC=CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000008102 [0,0,1,1,0,0|2,0,0]=4 231 B23R2.15687077 CN(C/C=C/C#CC(C)(C)C)Cc1ccc2ccccc2c1 269982a_100000185194_100016277853 [0,0,1,1,0,0|0,0,0]=2 232 B23R2.15687077 CN(C/C=C/C#CC(C)(C)C)Cc1ccc2ncccc2c1 269982a_100000207558_100016277853 [0,0,1,1,0,0|1,0,0]=3 233 B23R2.15687077 CN(C/C=C/C#CC(C)(C)C)Cc1cnc2ccccc2c1 269982a_100011875994_100016277853 [0,0,1,1,0,0|1,0,0]=3 234 B23R2.15687077 CN(C/C=C/C#CC(C)(C)C)Cc1cnc2ccccc2n1 269982a_100015184070_100016277853 [0,0,1,1,0,0|2,0,0]=4 235 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1ccc2ccccc2c1 2230a_100000185194_100000008102 [0,0,1,1,0,0|0,0,0]=2 236 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1ccc2ccccc2c1 269982a_100000185194_100000008102 [0,0,1,1,0,0|0,0,0]=2 237 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1ccc2ncccc2c1 2230a_100000207558_100000008102 [0,0,1,1,0,0|1,0,0]=3 238 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1ccc2ncccc2c1 269982a_100000207558_100000008102 [0,0,1,1,0,0|1,0,0]=3 239 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1cnc2ccccc2c1 2230a_100011875994_100000008102 [0,0,1,1,0,0|1,0,0]=3 240 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1cnc2ccccc2c1 269982a_100011875994_100000008102 [0,0,1,1,0,0|1,0,0]=3 241 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1cnc2ccccc2n1 2230a_100015184070_100000008102 [0,0,1,1,0,0|2,0,0]=4 242 B23R2.15687077 CN(CC=CC#CC(C)(C)C)Cc1cnc2ccccc2n1 269982a_100015184070_100000008102 [0,0,1,1,0,0|2,0,0]=4 243 B23R3.4212091 C[Si](C)(C)C#CCCN1Cc2cccc3c2c(ccc3)C1 34a_100102583503_100010401983 [0,0,0,1,1,0|0,1,1]=4 244 B25R3.233463144 CN(Cc1c[nH]nc1C(C)(C)C)Cc2cccc3c2cccc3 270004a_100000741213_100000238790 [0,0,0,1,0,1|1,0,1]=4 245 B25R3.233463144 CN(Cc1cccc2c1cccc2)Cc3ccnn3C(C)(C)C 270004a_100000741213_100010733073 [0,0,0,1,0,1|1,0,1]=4 246 B25R3.233463144 CN(Cc1nc[nH]c1C(C)(C)C)Cc2cccc3c2cccc3 270004a_100000741213_100009859971 [0,0,0,1,0,1|1,0,1]=4 247 B25R3.82895 CN(Cc1ccc([nH]1)C(C)(C)C)Cc2cccc3c2cccc3 270004a_100000741213_200009865238 [0,1,0,1,0,0|0,0,2]=4 248 B25R3.82895 CN(Cc1cnn(c1)C(C)(C)C)Cc2cccc3c2cccc3 270004a_100000741213_100000740700 [0,1,0,1,0,0|2,0,0]=4 249 B21R1.616607 CC(C)(C)C#C/C=C/CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100016277853 [0,0,1,0,1,0|2,0,0]=4 250 B21R1.616607 CC(C)(C)C#CC=CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000008102 [0,0,1,0,1,0|2,0,0]=4 251 B21R2.2827 CC(C)(C)C#C/C=C/CNCc1csc2c1cccc2 34a_100000744611_100016277853 [1,0,0,0,1,0|1,0,0]=3 252 B21R2.2827 CC(C)(C)C#C/C=C/COCc1csc2c1cccc2 34a_100011219454_100016277853 [1,0,0,0,1,0|2,0,0]=4 253 B21R2.2827 CC(C)(C)C#C/C=C/CSCc1csc2c1cccc2 62a_100016277853_200000742921 [1,0,0,0,1,0|2,0,0]=4 254 B21R2.2827 CC(C)(C)C#C/C=C/CSCc1csc2c1cccc2 62a_200000742921_100016277853 [1,0,0,0,1,0|2,0,0]=4 255 B21R2.2827 CC(C)(C)C#CC=CCNCc1cnc2n1cccc2 2230a_100015187830_100000008102 [1,0,0,0,1,0|2,0,0]=4 256 B21R2.2827 CC(C)(C)C#CC=CCNCc1csc2c1cccc2 34a_100000744611_100000008102 [1,0,0,0,1,0|1,0,0]=3 257 B21R2.2827 CC(C)(C)C#CC=CCOCc1csc2c1cccc2 34a_100011219454_100000008102 [1,0,0,0,1,0|2,0,0]=4 258 B21R2.2827 CC(C)(C)C#CC=CCSCc1csc2c1cccc2 62a_100000008102_200000742921 [1,0,0,0,1,0|2,0,0]=4 259 B21R2.2827 CC(C)(C)C#CC=CCSCc1csc2c1cccc2 62a_200000742921_100000008102 [1,0,0,0,1,0|2,0,0]=4 260 B21R2.12349703 CC(C)(C)C#C/C=C/CSCc1cccc2c1scc2 62a_100016277853_100009816938 [1,0,0,0,1,0|2,0,0]=4 261 B21R2.12349703 CC(C)(C)C#CC=CCSCc1cccc2c1scc2 62a_100000008102_100009816938 [1,0,0,0,1,0|2,0,0]=4 262 B21R2.49254128 CC(C)(C)C#C/C=C/CNc1cccc2c1cccc2 34a_100000185869_100016277853 [1,0,0,0,1,0|0,0,0]=2 263 B21R2.49254128 CC(C)(C)C#C/C=C/CNc1cccc2c1cccn2 34a_100000183906_100016277853 [1,0,0,0,1,0|1,0,0]=3 264 B21R2.49254128 CC(C)(C)C#C/C=C/CNc1cccc2c1nccc2 34a_100000181377_100016277853 [1,0,0,0,1,0|1,0,0]=3 265 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cccc2c1cccc2 34a_100000210388_100016277853 [1,0,0,0,1,0|1,0,0]=3 266 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cccc2c1cccc2 7a_100000210388_100016277853 [1,0,0,0,1,0|1,0,0]=3 267 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cccc2c1cccn2 34a_100011197808_100016277853 [1,0,0,0,1,0|2,0,0]=4 268 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cccc2c1ccnc2 34a_100011218533_100016277853 [1,0,0,0,1,0|2,0,0]=4 269 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cccc2c1cncc2 34a_103624766955_100016277853 [1,0,0,0,1,0|2,0,0]=4 270 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cccc2c1nccc2 34a_100000056035_100016277853 [1,0,0,0,1,0|2,0,0]=4 271 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cncc2c1cccc2 34a_100000066178_100016277853 [1,0,0,0,1,0|2,0,0]=4 272 B21R2.49254128 CC(C)(C)C#C/C=C/COc1cncc2c1cccc2 7a_100000066178_100016277853 [1,0,0,0,1,0|2,0,0]=4 273 B21R2.49254128 CC(C)(C)C#C/C=C/COc1nccc2c1cccc2 34a_102531767632_100016277853 [1,0,0,0,1,0|2,0,0]=4 274 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1cccc2 62a_100016277853_100000210605 [1,0,0,0,1,0|1,0,0]=3 275 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1cccn2 62a_100011290932_100016277853 [1,0,0,0,1,0|2,0,0]=4 276 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1cccn2 62a_100016277853_100011290932 [1,0,0,0,1,0|2,0,0]=4 277 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1ccnc2 62a_100000186358_100016277853 [1,0,0,0,1,0|2,0,0]=4 278 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1ccnc2 62a_100016277853_100000186358 [1,0,0,0,1,0|2,0,0]=4 279 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1cncc2 62a_100000685578_100016277853 [1,0,0,0,1,0|2,0,0]=4 280 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1cncc2 62a_100016277853_100000685578 [1,0,0,0,1,0|2,0,0]=4 281 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cccc2c1nccc2 62a_100016277853_100011215545 [1,0,0,0,1,0|2,0,0]=4 282 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1ccnc2c1cccc2 62a_100011458314_100016277853 [1,0,0,0,1,0|2,0,0]=4 283 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1ccnc2c1cccc2 62a_100016277853_100011215880 [1,0,0,0,1,0|2,0,0]=4 284 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cncc2c1cccc2 62a_100000187577_100016277853 [1,0,0,0,1,0|2,0,0]=4 285 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1cncc2c1cccc2 62a_100016277853_100000187577 [1,0,0,0,1,0|2,0,0]=4 286 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1nccc2c1cccc2 62a_100011934041_100016277853 [1,0,0,0,1,0|2,0,0]=4 287 B21R2.49254128 CC(C)(C)C#C/C=C/CSc1nccc2c1cccc2 62a_100016277853_100011934041 [1,0,0,0,1,0|2,0,0]=4 288 B21R2.49254128 CC(C)(C)C#CC=CCNc1cccc2c1cccc2 34a_100000185869_100000008102 [1,0,0,0,1,0|0,0,0]=2 289 B21R2.49254128 CC(C)(C)C#CC=CCNc1cccc2c1cccn2 34a_100000183906_100000008102 [1,0,0,0,1,0|1,0,0]=3 290 B21R2.49254128 CC(C)(C)C#CC=CCNc1cccc2c1nccc2 34a_100000181377_100000008102 [1,0,0,0,1,0|1,0,0]=3 291 B21R2.49254128 CC(C)(C)C#CC=CCOc1cccc2c1cccc2 34a_100000210388_100000008102 [1,0,0,0,1,0|1,0,0]=3 292 B21R2.49254128 CC(C)(C)C#CC=CCOc1cccc2c1cccc2 7a_100000210388_100000008102 [1,0,0,0,1,0|1,0,0]=3 293 B21R2.49254128 CC(C)(C)C#CC=CCOc1cccc2c1cccn2 34a_100011197808_100000008102 [1,0,0,0,1,0|2,0,0]=4 294 B21R2.49254128 CC(C)(C)C#CC=CCOc1cccc2c1ccnc2 34a_100011218533_100000008102 [1,0,0,0,1,0|2,0,0]=4 295 B21R2.49254128 CC(C)(C)C#CC=CCOc1cccc2c1cncc2 34a_103624766955_100000008102 [1,0,0,0,1,0|2,0,0]=4 296 B21R2.49254128 CC(C)(C)C#CC=CCOc1cccc2c1nccc2 34a_100000056035_100000008102 [1,0,0,0,1,0|2,0,0]=4 297 B21R2.49254128 CC(C)(C)C#CC=CCOc1cncc2c1cccc2 34a_100000066178_100000008102 [1,0,0,0,1,0|2,0,0]=4 298 B21R2.49254128 CC(C)(C)C#CC=CCOc1cncc2c1cccc2 7a_100000066178_100000008102 [1,0,0,0,1,0|2,0,0]=4 299 B21R2.49254128 CC(C)(C)C#CC=CCOc1nccc2c1cccc2 34a_102531767632_100000008102 [1,0,0,0,1,0|2,0,0]=4 300 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1cccc2 62a_100000008102_100000210605 [1,0,0,0,1,0|1,0,0]=3 301 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1cccn2 62a_100000008102_100011290932 [1,0,0,0,1,0|2,0,0]=4 302 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1cccn2 62a_100011290932_100000008102 [1,0,0,0,1,0|2,0,0]=4 303 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1ccnc2 62a_100000008102_100000186358 [1,0,0,0,1,0|2,0,0]=4 304 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1ccnc2 62a_100000186358_100000008102 [1,0,0,0,1,0|2,0,0]=4 305 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1cncc2 62a_100000008102_100000685578 [1,0,0,0,1,0|2,0,0]=4 306 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1cncc2 62a_100000685578_100000008102 [1,0,0,0,1,0|2,0,0]=4 307 B21R2.49254128 CC(C)(C)C#CC=CCSc1cccc2c1nccc2 62a_100000008102_100011215545 [1,0,0,0,1,0|2,0,0]=4 308 B21R2.49254128 CC(C)(C)C#CC=CCSc1ccnc2c1cccc2 62a_100000008102_100011215880 [1,0,0,0,1,0|2,0,0]=4 309 B21R2.49254128 CC(C)(C)C#CC=CCSc1ccnc2c1cccc2 62a_100011458314_100000008102 [1,0,0,0,1,0|2,0,0]=4 310 B21R2.49254128 CC(C)(C)C#CC=CCSc1cncc2c1cccc2 62a_100000008102_100000187577 [1,0,0,0,1,0|2,0,0]=4 311 B21R2.49254128 CC(C)(C)C#CC=CCSc1cncc2c1cccc2 62a_100000187577_100000008102 [1,0,0,0,1,0|2,0,0]=4 312 B21R2.49254128 CC(C)(C)C#CC=CCSc1nccc2c1cccc2 62a_100000008102_100011934041 [1,0,0,0,1,0|2,0,0]=4 313 B21R2.49254128 CC(C)(C)C#CC=CCSc1nccc2c1cccc2 62a_100011934041_100000008102 [1,0,0,0,1,0|2,0,0]=4 314 B21R2.49254128 C[Si](C)(C)C#CC=NNCc1cccc2c1cccc2 4a_100025742020_100000046991 [1,0,0,0,1,0|1,1,0]=4 315 B21R2.49254128 C[Si](C)(C)C#CCCNCc1cccc2c1cccc2 34a_100000753325_100010401983 [1,0,0,0,1,0|0,1,1]=4 316 B21R2.63028977 CN(CCOC(C)(C)C)Cc1cccc2c1cccc2 2230a_100000690421_100011261445 [0,0,0,0,2,0|1,0,1]=4 317 B21R2.63028977 CN(CCOC(C)(C)C)Cc1cccc2c1cccc2 269982a_100000690421_100000188474 [0,0,0,0,2,0|1,0,1]=4 318 B21R2.63028977 CN(CCOC(C)(C)C)Cc1cccc2c1cccc2 270004a_100000690421_100000210074 [0,0,0,0,2,0|1,0,1]=4 319 B21R2.63047512 CN(CCC#C[Si](C)(C)C)c1cccc2c1cccc2 34a_100000220138_100010401983 [0,0,0,0,2,0|0,1,1]=4 320 B23R1.21986 C=CCc1ccccc1OCCN(C)C/C=C/C#CC(C)(C)C 269982a_100011693450_100016277853 [0,0,1,0,0,1|0,0,2]=4 321 B23R1.21986 C=CCc1ccccc1OCCN(C)CC=CC#CC(C)(C)C 2230a_100011693450_100000008102 [0,0,1,0,0,1|0,0,2]=4 322 B23R1.21986 C=CCc1ccccc1OCCN(C)CC=CC#CC(C)(C)C 269982a_100011693450_100000008102 [0,0,1,0,0,1|0,0,2]=4 323 B23R2.177048297 CC(C)(C)C#C/C=C/CNCCc1cccc2c1cccc2 34a_100000751862_100016277853 [1,0,0,0,0,1|0,0,0]=2 324 B23R2.177048297 CC(C)(C)C#C/C=C/COCCc1cccc2c1cccc2 34a_100011219628_100016277853 [1,0,0,0,0,1|1,0,0]=3 325 B23R2.177048297 CC(C)(C)C#C/C=C/COCCc1cccc2c1cccc2 7a_100011219628_100016277853 [1,0,0,0,0,1|1,0,0]=3 326 B23R2.177048297 CC(C)(C)C#C/C=C/CSCCc1cccc2c1cccc2 62a_100011290781_100016277853 [1,0,0,0,0,1|1,0,0]=3 327 B23R2.177048297 CC(C)(C)C#C/C=C/CSCCc1cccc2c1cccc2 62a_100016277853_100011290781 [1,0,0,0,0,1|1,0,0]=3 328 B23R2.177048297 CC(C)(C)C#CC=CCNCCc1cccc2c1cccc2 2230a_100000751862_100000008102 [1,0,0,0,0,1|0,0,0]=2 329 B23R2.177048297 CC(C)(C)C#CC=CCNCCc1cccc2c1cccc2 34a_100000751862_100000008102 [1,0,0,0,0,1|0,0,0]=2 330 B23R2.177048297 CC(C)(C)C#CC=CCOCCc1cccc2c1cccc2 34a_100011219628_100000008102 [1,0,0,0,0,1|1,0,0]=3 331 B23R2.177048297 CC(C)(C)C#CC=CCOCCc1cccc2c1cccc2 7a_100011219628_100000008102 [1,0,0,0,0,1|1,0,0]=3 332 B23R2.177048297 CC(C)(C)C#CC=CCSCCc1cccc2c1cccc2 62a_100000008102_100011290781 [1,0,0,0,0,1|1,0,0]=3 333 B23R2.177048297 CC(C)(C)C#CC=CCSCCc1cccc2c1cccc2 62a_100011290781_100000008102 [1,0,0,0,0,1|1,0,0]=3 334 B25R2.658594884 CC(C)(C)C#C/C=C/CC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_100016277853 [0,0,0,0,0,2|2,0,0]=4 335 B25R2.658594884 CC(C)(C)C#C/C=C/CC(=O)CSCc1cccc2c1cccc2 1458a_200000150182_100016277853 [0,0,0,0,0,2|2,0,0]=4 336 B25R2.658594884 CC(C)(C)C#CC=CCC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_100000008102 [0,0,0,0,0,2|2,0,0]=4 337 B25R2.658594884 CC(C)(C)C#CC=CCC(=O)CSCc1cccc2c1cccc2 1458a_200000150182_100000008102 [0,0,0,0,0,2|2,0,0]=4