0 B21R2.282343 C=CCCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100012355270 [0,0,0,0,0,0|3,0,0]=3 1 B21R2.282343 C=CCCCCCCCC(=O)C1Cc2ccccc2C1 1458a_100000685393_100012355270 [0,0,0,0,0,0|3,0,1]=4 2 B21R2.282343 C=CCCCCCCCC(=O)C1Cc2ccccc2C1 1458a_100011216160_100000753484 [0,0,0,0,0,0|3,0,1]=4 3 B21R2.282343 C=CCCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100012355270 [0,0,0,0,0,0|2,0,1]=3 4 B21R2.282343 C=CCCCCCCCC(=O)C1Cc2ccccc2S1 1458a_100000024912_100012355270 [0,0,0,0,0,0|2,1,1]=4 5 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2ccccc2C1 11a_100000752595_100011216160 [0,0,0,0,0,0|4,0,0]=4 6 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2ccccc2C1 1626a_100000752595_100011216160 [0,0,0,0,0,0|4,0,0]=4 7 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2ccccc2C1 240690a_100000752595_100011216160 [0,0,0,0,0,0|4,0,0]=4 8 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2ccccc2C1 527a_100000752595_100011216160 [0,0,0,0,0,0|4,0,0]=4 9 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100011216160 [0,0,0,0,0,0|3,0,0]=3 10 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100011216160 [0,0,0,0,0,0|3,0,0]=3 11 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100011216160 [0,0,0,0,0,0|3,0,0]=3 12 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100011216160 [0,0,0,0,0,0|3,0,0]=3 13 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2cncnc2C1 11a_100015200256_100011216160 [0,0,0,0,0,0|4,0,0]=4 14 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2cncnc2C1 240690a_100015200256_100011216160 [0,0,0,0,0,0|4,0,0]=4 15 B21R2.282343 C=CCCCCCCCC(=O)N1Cc2cncnc2C1 527a_100015200256_100011216160 [0,0,0,0,0,0|4,0,0]=4 16 B21R2.282343 C=CCCCCCOCC(=O)c1cc2ccccc2s1 7a_100011216702_100012351422 [0,0,0,0,0,0|3,1,0]=4 17 B21R2.282343 C=CCCCCCSCC(=O)c1cc2ccccc2o1 62a_100000700193_100000209828 [0,0,0,0,0,0|3,0,0]=3 18 B21R2.282343 C=CCCCCCSCC(=O)c1cc2ccccc2s1 62a_100012351422_100000700193 [0,0,0,0,0,0|3,1,0]=4 19 B21R2.282343 C=CCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000700193 [0,0,0,0,0,0|2,1,0]=3 20 B21R2.282343 O=CCCCCCSCC(=O)c1cc2ccccc2o1 62a_100000139337_100000209828 [0,0,0,0,0,0|4,0,0]=4 21 B21R2.282343 O=CCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100000139337 [0,0,0,0,0,0|3,1,0]=4 22 B20R2.19698 C=CCCCCCCCSc1cc2cccnc2[nH]1 62a_100012355270_100010079843 [1,0,0,0,0,0|2,0,1]=4 23 B20R2.19698 C=CCCCCCCCSc1nc2ccccc2[nH]1 62a_100012355270_100009814255 [1,0,0,0,0,0|3,0,0]=4 24 B20R2.19698 C=CCCCCCCCSc1nc2ccccc2s1 62a_100012355270_100000751744 [1,0,0,0,0,0|2,1,0]=4 25 B20R2.19698 C=CCCCCCCCSc1nc2cccnc2s1 62a_100010188088_100012355270 [1,0,0,0,0,0|3,0,0]=4 26 B20R2.19698 C=CCCCCCCCSc1nc2cccnc2s1 62a_100012355270_100010188088 [1,0,0,0,0,0|3,0,0]=4 27 B20R2.19698 C=CCCCCCCOCc1nc2ccccc2o1 34a_200011216477_200012361514 [1,0,0,0,0,0|2,0,1]=4 28 B20R2.19698 C=CCCCCCCOCc1nc2ccccc2o1 7a_200011216477_100000195508 [1,0,0,0,0,0|2,0,1]=4 29 B20R2.19698 C=CCCCCCCOCc1nc2ncccc2o1 7a_200011216477_100000696355 [1,0,0,0,0,0|1,0,1]=3 30 B20R2.19698 C=CCCCCCCSCc1nc2ccccc2o1 62a_100011215473_100000195508 [1,0,0,0,0,0|2,0,1]=4 31 B20R2.19698 C=CCCCCCCSCc1nc2ncccc2o1 62a_100011215473_100000696355 [1,0,0,0,0,0|1,0,1]=3 32 B20R2.46935 C=CCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100011215473 [1,0,0,0,0,0|3,0,0]=4 33 B20R2.46935 C=CCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100011215473 [1,0,0,0,0,0|2,0,1]=4 34 B20R2.46935 C=CCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100011809334 [1,0,0,0,0,0|3,0,0]=4 35 B20R2.46935 C=CCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100011809334 [1,0,0,0,0,0|3,0,0]=4 36 B20R2.46935 C=CCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100011809334 [1,0,0,0,0,0|3,0,0]=4 37 B20R2.46935 C=CCCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100011809334 [1,0,0,0,0,0|3,0,0]=4 38 B20R2.46935 C=CCCCCNCC(=O)c1nc2ccccc2s1 2230a_100000703577_100000198972 [1,0,0,0,0,0|2,1,0]=4 39 B20R2.46935 C=CCCCCSCC(=O)c1cc2ccccc2o1 62a_100011215482_100000209828 [1,0,0,0,0,0|3,0,0]=4 40 B20R2.46935 C=CCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011215482 [1,0,0,0,0,0|2,1,0]=4 41 B22R2.398457 C=CCCCCCCCC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_100012355270 [0,1,0,0,0,0|2,0,1]=4 42 B22R2.398457 C=CCCCCCCCC(=O)C1Cc2ccc(cc2O1)C 1458a_100009922052_100012355270 [0,1,0,0,0,0|2,0,1]=4 43 B22R2.398457 C=CCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 11a_100016995040_100011216160 [0,1,0,0,0,0|3,0,0]=4 44 B22R2.398457 C=CCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 1626a_100016995040_100011216160 [0,1,0,0,0,0|3,0,0]=4 45 B22R2.398457 C=CCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 240690a_100016995040_100011216160 [0,1,0,0,0,0|3,0,0]=4 46 B22R2.398457 C=CCCCCCCCC(=O)N1Cc2ccc(nc2C1)Cl 527a_100016995040_100011216160 [0,1,0,0,0,0|3,0,0]=4 47 B22R2.398457 C=CCCCCCOCC(=O)c1cc2cc(ccc2o1)Br 34a_100011216702_100010170448 [0,1,0,0,0,0|3,0,0]=4 48 B22R2.398457 C=CCCCCCSCC(=O)c1cc2cc(ccc2o1)Br 62a_100000700193_100010170448 [0,1,0,0,0,0|3,0,0]=4 49 B22R2.398459 C=CCCCCCCCC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_100012355270 [0,1,0,0,0,0|3,0,0]=4 50 B22R2.398459 C=CCCCCCSCC(=O)c1oc2ccccc2c1C 62a_100000700193_100000684729 [0,1,0,0,0,0|3,0,0]=4 51 B22R2.563302 C=CCCCCCC(=O)CC(=O)c1cc2ccccc2o1 1458a_100011934241_100000209828 [0,1,0,0,0,0|2,0,1]=4 52 B22R2.582038 C=CCCCCCCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100011933949 [0,1,0,0,0,0|3,0,0]=4 53 B22R2.582038 C=CCCCCCCCCC(=O)C1Cc2ccccc2O1 1458a_100000209886_100011933949 [0,1,0,0,0,0|2,0,1]=4 54 B22R2.582038 C=CCCCCCCCCC(=O)N1Cc2cccnc2C1 11a_100000726175_100000211349 [0,1,0,0,0,0|3,0,0]=4 55 B22R2.582038 C=CCCCCCCCCC(=O)N1Cc2cccnc2C1 1626a_100000726175_100000211349 [0,1,0,0,0,0|3,0,0]=4 56 B22R2.582038 C=CCCCCCCCCC(=O)N1Cc2cccnc2C1 240690a_100000726175_100000211349 [0,1,0,0,0,0|3,0,0]=4 57 B22R2.582038 C=CCCCCCCCCC(=O)N1Cc2cccnc2C1 527a_100000726175_100000211349 [0,1,0,0,0,0|3,0,0]=4 58 B22R2.582038 C=CCCCCCCOCC(=O)c1cc2ccccc2s1 7a_200011216477_100012351422 [0,1,0,0,0,0|2,1,0]=4 59 B22R2.582038 C=CCCCCCCSCC(=O)c1cc2ccccc2o1 62a_100011215473_100000209828 [0,1,0,0,0,0|2,0,0]=3 60 B22R2.582038 C=CCCCCCCSCC(=O)c1cc2ccccc2s1 62a_100012351422_100011215473 [0,1,0,0,0,0|2,1,0]=4 61 B22R2.582038 C=CCCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100011215473 [0,1,0,0,0,0|1,1,0]=3 62 B20R1.8345 C=CCCCCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100012355270 [0,0,1,0,0,0|3,0,0]=4 63 B20R1.8345 C=CCCCCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100012355270 [0,0,1,0,0,0|3,0,0]=4 64 B20R1.8345 C=CCCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100012355270 [0,0,1,0,0,0|2,0,0]=3 65 B20R1.8345 C=CCCCCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100012355270 [0,0,1,0,0,0|3,0,0]=4 66 B20R1.8345 C=CCCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100012355270 [0,0,1,0,0,0|2,0,0]=3 67 B20R1.8345 C=CCCCCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100012355270 [0,0,1,0,0,0|1,0,2]=4 68 B20R1.8345 C=CCCCCCCCC(=O)C(C)Cc1ccccn1 1458a_100012000792_100012355270 [0,0,1,0,0,0|2,0,1]=4 69 B20R1.8345 C=CCCCCCCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100012355270 [0,0,1,0,0,0|2,0,1]=4 70 B20R1.8345 C=CCCCCCCCC(=O)C(C)Sc1ccccn1 1458a_100000156770_100012355270 [0,0,1,0,0,0|2,0,1]=4 71 B20R1.8345 C=CCCCCCCCC(=O)N(C)Cc1ccccn1 11a_100000207498_100011216160 [0,0,1,0,0,0|3,0,0]=4 72 B20R1.8345 C=CCCCCCCCC(=O)N(C)Cc1ccccn1 240690a_100000207498_100011216160 [0,0,1,0,0,0|3,0,0]=4 73 B20R1.8345 C=CCCCCCCCC(=O)N(C)Cc1ccccn1 527a_100000207498_100011216160 [0,0,1,0,0,0|3,0,0]=4 74 B20R1.8345 C=CCCCCCCCC(=O)N(C)Cc1cccnc1 11a_100000184577_100011216160 [0,0,1,0,0,0|3,0,0]=4 75 B20R1.8345 C=CCCCCCCCC(=O)N(C)Cc1cccnc1 240690a_100000184577_100011216160 [0,0,1,0,0,0|3,0,0]=4 76 B20R1.8345 C=CCCCCCCCC(=O)N(C)Cc1cccnc1 527a_100000184577_100011216160 [0,0,1,0,0,0|3,0,0]=4 77 B20R1.8345 C=CCCCCCCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100012355270 [0,0,1,0,0,0|2,0,1]=4 78 B20R1.36406 C=CCCCCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100012355270 [0,0,1,0,0,0|3,0,0]=4 79 B20R1.36406 C=CCCCCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100012355270 [0,0,1,0,0,0|3,0,0]=4 80 B20R1.36406 C=CCCCCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100012355270 [0,0,1,0,0,0|3,0,0]=4 81 B20R1.36406 C=CCCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100012355270 [0,0,1,0,0,0|2,0,0]=3 82 B20R1.36406 C=CCCCCCCCC(=O)CCc1ccccc1O 1458a_100000181328_100012355270 [0,0,1,0,0,0|2,0,1]=4 83 B20R1.36406 C=CCCCCCCCC(=O)CCc1ccccc1O 1458a_100011216160_100000722297 [0,0,1,0,0,0|2,0,1]=4 84 B20R1.36406 C=CCCCCCCCC(=O)COc1ccccc1Br 1458a_100000216496_100012355270 [0,0,1,0,0,0|2,0,1]=4 85 B20R1.36406 C=CCCCCCCCC(=O)COc1ccccc1C 1458a_100000182418_100012355270 [0,0,1,0,0,0|2,0,1]=4 86 B20R1.36406 C=CCCCCCCCC(=O)COc1ccccc1Cl 1458a_100000185159_100012355270 [0,0,1,0,0,0|2,0,1]=4 87 B20R1.36406 C=CCCCCCCCC(=O)COc1ccccc1F 1458a_100000182486_100012355270 [0,0,1,0,0,0|2,0,1]=4 88 B20R1.36406 C=CCCCCCCCC(=O)COc1ccccc1O 1458a_100000183020_100012355270 [0,0,1,0,0,0|2,0,1]=4 89 B20R1.36406 C=CCCCCCCCC(=O)CSc1ccccc1O 1458a_100000695322_100012355270 [0,0,1,0,0,0|2,0,1]=4 90 B20R1.36406 C=CCCCCCCCC(=O)NCc1ccccc1O 240690a_100000185550_100011216160 [0,0,1,0,0,0|3,0,0]=4 91 B20R1.36406 C=CCCCCCCCC(=O)NCc1ccccc1O 527a_100000185550_100011216160 [0,0,1,0,0,0|3,0,0]=4 92 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1Br 11a_100009818023_100011216160 [0,0,1,0,0,0|3,0,0]=4 93 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1Br 240690a_100009818023_100011216160 [0,0,1,0,0,0|3,0,0]=4 94 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1Br 527a_100009818023_100011216160 [0,0,1,0,0,0|3,0,0]=4 95 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1Cl 11a_100015189234_100011216160 [0,0,1,0,0,0|3,0,0]=4 96 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1Cl 1626a_100015189234_100011216160 [0,0,1,0,0,0|3,0,0]=4 97 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1Cl 240690a_100015189234_100011216160 [0,0,1,0,0,0|3,0,0]=4 98 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1Cl 527a_100015189234_100011216160 [0,0,1,0,0,0|3,0,0]=4 99 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1F 11a_100000724633_100011216160 [0,0,1,0,0,0|3,0,0]=4 100 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1F 1626a_100000724633_100011216160 [0,0,1,0,0,0|3,0,0]=4 101 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1F 240690a_100000724633_100011216160 [0,0,1,0,0,0|3,0,0]=4 102 B20R1.36406 C=CCCCCCCCC(=O)NCc1cccnc1F 527a_100000724633_100011216160 [0,0,1,0,0,0|3,0,0]=4 103 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1Br 11a_100020591323_100011216160 [0,0,1,0,0,0|3,0,0]=4 104 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1Br 240690a_100020591323_100011216160 [0,0,1,0,0,0|3,0,0]=4 105 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1Br 527a_100020591323_100011216160 [0,0,1,0,0,0|3,0,0]=4 106 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1C 11a_100011223789_100011216160 [0,0,1,0,0,0|3,0,0]=4 107 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1C 1626a_100011223789_100011216160 [0,0,1,0,0,0|3,0,0]=4 108 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1C 240690a_100011223789_100011216160 [0,0,1,0,0,0|3,0,0]=4 109 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1C 527a_100011223789_100011216160 [0,0,1,0,0,0|3,0,0]=4 110 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1Cl 11a_100015189233_100011216160 [0,0,1,0,0,0|3,0,0]=4 111 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1Cl 1626a_100015189233_100011216160 [0,0,1,0,0,0|3,0,0]=4 112 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1Cl 240690a_100015189233_100011216160 [0,0,1,0,0,0|3,0,0]=4 113 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1Cl 527a_100015189233_100011216160 [0,0,1,0,0,0|3,0,0]=4 114 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1F 11a_100000690088_100011216160 [0,0,1,0,0,0|3,0,0]=4 115 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1F 1626a_100000690088_100011216160 [0,0,1,0,0,0|3,0,0]=4 116 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1F 240690a_100000690088_100011216160 [0,0,1,0,0,0|3,0,0]=4 117 B20R1.36406 C=CCCCCCCCC(=O)NCc1ncccc1F 527a_100000690088_100011216160 [0,0,1,0,0,0|3,0,0]=4 118 B20R1.36406 C=CCCCCCCCC(=O)NNc1cccnc1C 22a_100000730703_100011216160 [0,0,1,0,0,0|3,0,0]=4 119 B20R1.36406 C=CCCCCCCCC(=O)NNc1ncccc1Br 22a_100011464834_100011216160 [0,0,1,0,0,0|2,0,1]=4 120 B20R1.36406 C=CCCCCCCCC(=O)NNc1ncccc1C 22a_100000708268_100011216160 [0,0,1,0,0,0|2,0,1]=4 121 B20R1.36406 C=CCCCCCCCC(=O)NNc1ncccc1Cl 22a_100000741667_100011216160 [0,0,1,0,0,0|2,0,1]=4 122 B20R1.36406 C=CCCCCCCCC(=O)NNc1ncccc1F 22a_100000717775_100011216160 [0,0,1,0,0,0|2,0,1]=4 123 B20R1.36406 C=CCCCCCCCC(=O)NNc1ncccc1I 22a_100010221029_100011216160 [0,0,1,0,0,0|2,0,1]=4 124 B20R2.11767593 C=CCCCCCCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100012355270 [0,0,0,0,1,0|2,0,1]=4 125 B22R2.398436 C#CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000087357_100000195508 [0,0,0,0,0,1|1,0,2]=4 126 B22R2.398436 C#CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100153394163 [0,0,0,0,0,1|1,0,2]=4 127 B22R2.398436 C#CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000087357_100000696355 [0,0,0,0,0,1|0,0,2]=3 128 B22R2.398436 C=CCCCCCCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100012355270 [0,0,0,0,0,1|2,0,0]=3 129 B22R2.398436 C=CCCCCCCCC(=O)Cc1cc2ccccc2s1 1458a_100012001211_100012355270 [0,0,0,0,0,1|2,1,0]=4 130 B22R2.398436 C=CCCCCCCCC(=O)Cc1cn2ccccc2n1 1458a_100011216160_100000689847 [0,0,0,0,0,1|3,0,0]=4 131 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100011216160_100000737899 [0,0,0,0,0,1|2,0,0]=3 132 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100011216160_100000195508 [0,0,0,0,0,1|1,0,0]=2 133 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100012355270 [0,0,0,0,0,1|1,0,0]=2 134 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100011216160_100011217541 [0,0,0,0,0,1|1,1,0]=3 135 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100011216160_100011549802 [0,0,0,0,0,1|1,0,1]=3 136 B22R2.398436 C=CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100011216160_100000696355 [0,0,0,0,0,1|0,0,0]=1 137 B22R2.398436 C=CCCCCCCCC(=O)Cn1cc2ccccc2n1 1458a_100000060251_100012355270 [0,0,0,0,0,1|3,0,0]=4 138 B22R2.398436 C=CCCCCCOCC(=O)Nc1nc2ccccc2s1 7a_100011216702_100000752643 [0,0,0,0,0,1|2,1,0]=4 139 B22R2.398436 C=CCCCCNCCC(=O)Nc1nc2ccccc2s1 2230a_100000703577_200011213626 [0,0,0,0,0,1|2,1,0]=4 140 B22R2.398436 C=CCCCCOCCC(=O)Nc1nc2ccccc2s1 7a_100000766645_200011213626 [0,0,0,0,0,1|2,1,0]=4 141 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000210558_100000195508 [0,0,0,0,0,1|1,0,2]=4 142 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210670 [0,0,0,0,0,1|1,0,2]=4 143 B22R2.398436 CCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000210558_100000696355 [0,0,0,0,0,1|0,0,2]=3 144 B22R2.398436 O=C(CCCCCCCCO)Cc1nc2ccccc2o1 1458a_100015185861_100000033203 [0,0,0,0,0,1|2,0,1]=4 145 B22R2.398469 C=CCCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100012355270 [0,0,0,0,0,1|2,0,0]=3 146 B22R2.398469 C=CCCCCCCCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100012355270 [0,0,0,0,0,1|2,0,1]=4 147 B22R2.398469 C=CCCCCCCCC(=O)C1COc2ccccc2C1 1458a_100000203760_100012355270 [0,0,0,0,0,1|2,0,1]=4 148 B22R2.398469 C=CCCCCCCCC(=O)C1COc2ccccc2O1 1458a_100000182656_100012355270 [0,0,0,0,0,1|2,0,1]=4 149 B22R2.398469 C=CCCCCCCCC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100012355270 [0,0,0,0,0,1|2,0,1]=4 150 B22R2.398469 C=CCCCCCCCC(=O)N1CCc2cccnc2C1 11a_100015206102_100011216160 [0,0,0,0,0,1|3,0,0]=4 151 B22R2.398469 C=CCCCCCCCC(=O)N1CCc2cccnc2C1 1626a_100015206102_100011216160 [0,0,0,0,0,1|3,0,0]=4 152 B22R2.398469 C=CCCCCCCCC(=O)N1CCc2cccnc2C1 240690a_100015206102_100011216160 [0,0,0,0,0,1|3,0,0]=4 153 B22R2.398469 C=CCCCCCCCC(=O)N1CCc2cccnc2C1 527a_100015206102_100011216160 [0,0,0,0,0,1|3,0,0]=4 154 B22R2.398469 C=CCCCCCCCC(=O)N1CCc2ncccc2C1 11a_100000699647_100011216160 [0,0,0,0,0,1|3,0,0]=4 155 B22R2.398469 C=CCCCCCCCC(=O)N1CCc2ncccc2C1 240690a_100000699647_100011216160 [0,0,0,0,0,1|3,0,0]=4 156 B22R2.398469 C=CCCCCCCCC(=O)N1CCc2ncccc2C1 527a_100000699647_100011216160 [0,0,0,0,0,1|3,0,0]=4 157 B22R2.398469 C=CCCCCCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100012355270 [0,0,0,0,0,1|3,0,0]=4 158 B22R2.398469 C=CCCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100012355270 [0,0,0,0,0,1|2,0,0]=3 159 B22R2.398469 C=CCCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100012355270 [0,0,0,0,0,1|2,0,0]=3 160 B22R2.398469 C=CCCCCCCCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100012355270 [0,0,0,0,0,1|3,0,0]=4 161 B19R1.321 C=CCCCCCCCC(=O)C#Cc1ccccn1 1458a_102125277312_100012355270 [1,0,1,0,0,0|1,0,1]=4 162 B19R1.321 C=CCCCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100012355270 [1,0,1,0,0,0|2,0,0]=4 163 B19R1.321 C=CCCCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100012355270 [1,0,1,0,0,0|1,0,0]=3 164 B19R1.321 C=CCCCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100012355270 [1,0,1,0,0,0|1,0,0]=3 165 B19R1.321 C=CCCCCCCCC(=O)CCc1ccccn1 1458a_100011216160_100015183660 [1,0,1,0,0,0|1,0,1]=4 166 B19R1.321 C=CCCCCCCCC(=O)CCc1ccccn1 1458a_100015195070_100012355270 [1,0,1,0,0,0|1,0,1]=4 167 B19R1.321 C=CCCCCCCCC(=O)CCc1cccnc1 1458a_100000198484_100012355270 [1,0,1,0,0,0|1,0,1]=4 168 B19R1.321 C=CCCCCCCCC(=O)CCc1cccnc1 1458a_100011216160_200011713674 [1,0,1,0,0,0|1,0,1]=4 169 B19R1.321 C=CCCCCCCCC(=O)COc1ccccc1 1458a_100000186222_100012355270 [1,0,1,0,0,0|1,0,1]=4 170 B19R1.321 C=CCCCCCCCC(=O)COc1ccccn1 1458a_100102699861_100012355270 [1,0,1,0,0,0|1,0,1]=4 171 B19R1.321 C=CCCCCCCCC(=O)COc1cccnc1 1458a_100015207166_100012355270 [1,0,1,0,0,0|0,0,1]=3 172 B19R1.321 C=CCCCCCCCC(=O)CSc1ccccn1 1458a_100000156281_100012355270 [1,0,1,0,0,0|1,0,1]=4 173 B19R1.321 C=CCCCCCCCC(=O)NCc1ccccn1 11a_100000210449_100011216160 [1,0,1,0,0,0|2,0,0]=4 174 B19R1.321 C=CCCCCCCCC(=O)NCc1ccccn1 1626a_100000210449_100011216160 [1,0,1,0,0,0|2,0,0]=4 175 B19R1.321 C=CCCCCCCCC(=O)NCc1ccccn1 240690a_100000210449_100011216160 [1,0,1,0,0,0|2,0,0]=4 176 B19R1.321 C=CCCCCCCCC(=O)NCc1ccccn1 527a_100000210449_100011216160 [1,0,1,0,0,0|2,0,0]=4 177 B19R1.321 C=CCCCCCCCC(=O)NCc1cccnc1 11a_100000210453_100011216160 [1,0,1,0,0,0|2,0,0]=4 178 B19R1.321 C=CCCCCCCCC(=O)NCc1cccnc1 240690a_100000210453_100011216160 [1,0,1,0,0,0|2,0,0]=4 179 B19R1.321 C=CCCCCCCCC(=O)NCc1cccnc1 527a_100000210453_100011216160 [1,0,1,0,0,0|2,0,0]=4 180 B19R1.321 C=CCCCCCCCC(=O)NNc1ccccn1 22a_100000183288_100011216160 [1,0,1,0,0,0|1,0,1]=4 181 B19R1.321 C=CCCCCCCCC(=O)NNc1cccnc1 22a_100000728903_100011216160 [1,0,1,0,0,0|2,0,0]=4 182 B19R1.3768 C=CCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011215473 [1,0,1,0,0,0|2,0,0]=4 183 B19R1.3768 C=CCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011215473 [1,0,1,0,0,0|2,0,0]=4 184 B19R1.8120 C=CCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215473 [1,0,1,0,0,0|2,0,0]=4 185 B19R2.13041 C=CCCCCCOCc1nc2ccccc2o1 34a_100011216702_200012361514 [2,0,0,0,0,0|2,0,0]=4 186 B19R2.13041 C=CCCCCCOCc1nc2ccccc2o1 7a_100011216702_100000195508 [2,0,0,0,0,0|2,0,0]=4 187 B19R2.13041 C=CCCCCCOCc1nc2ncccc2o1 7a_100011216702_100000696355 [2,0,0,0,0,0|1,0,0]=3 188 B19R2.13041 C=CCCCCCSCc1nc2ccccc2o1 62a_100000700193_100000195508 [2,0,0,0,0,0|2,0,0]=4 189 B19R2.13041 C=CCCCCCSCc1nc2ncccc2o1 62a_100000700193_100000696355 [2,0,0,0,0,0|1,0,0]=3 190 B19R2.13041 C=COCCCCOCc1nc2ncccc2o1 7a_100000031558_100000696355 [2,0,0,0,0,0|2,0,0]=4 191 B19R2.13041 O=CCCCCCSCc1nc2ncccc2o1 62a_100000139337_100000696355 [2,0,0,0,0,0|2,0,0]=4 192 B21R1.3816 C=CCCCCCCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100011933949 [0,1,1,0,0,0|2,0,0]=4 193 B21R1.3816 C=CCCCCCCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100011933949 [0,1,1,0,0,0|2,0,0]=4 194 B21R1.7060 C=CCCCCCCCC(=O)C(=O)Nc1ccc(cn1)Cl 1458a_100011297360_100012355270 [0,1,1,0,0,0|0,0,2]=4 195 B21R1.40747 C=CCCCCCCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100012355270 [0,1,1,0,0,0|2,0,0]=4 196 B21R1.40747 C=CCCCCCCCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100012355270 [0,1,1,0,0,0|2,0,0]=4 197 B21R1.40747 C=CCCCCCCCC(=O)NNc1ncccc1OC 22a_100012020716_100011216160 [0,1,1,0,0,0|1,0,1]=4 198 B21R1.70484 C=CCCCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011933949 [0,1,1,0,0,0|2,0,0]=4 199 B21R2.7365 C=CCCCCCCCOCc1nc2ccccc2o1 34a_100000730831_200012361514 [1,1,0,0,0,0|1,0,1]=4 200 B21R2.7365 C=CCCCCCCCOCc1nc2ccccc2o1 7a_100000730831_100000195508 [1,1,0,0,0,0|1,0,1]=4 201 B21R2.7365 C=CCCCCCCCOCc1nc2ncccc2o1 7a_100000730831_100000696355 [1,1,0,0,0,0|0,0,1]=3 202 B21R2.7365 C=CCCCCCCCSCc1nc2ccccc2o1 62a_100012355270_100000195508 [1,1,0,0,0,0|1,0,1]=4 203 B21R2.7365 C=CCCCCCCCSCc1nc2ncccc2o1 62a_100012355270_100000696355 [1,1,0,0,0,0|0,0,1]=3 204 B21R2.67336 C=CCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100011809334_100000696355 [1,1,0,0,0,0|0,0,2]=4 205 B23R2.533928 C=CCCCCCCCC(=O)Cc1nc2ccccc2n1C 1458a_100011216160_100000748711 [0,1,0,0,0,1|2,0,0]=4 206 B23R2.771976 C=CC(=O)NCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100011222493_100000696355 [0,1,0,0,0,1|1,0,1]=4 207 B23R2.780892 CCCCCCCC(O)CC(=O)Cc1nc2ncccc2o1 1458a_200011667753_100000696355 [0,1,0,0,0,1|0,0,2]=4 208 B23R2.808902 C#CCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000029693_100000696355 [0,1,0,0,0,1|0,0,2]=4 209 B23R2.808902 C=CCCCCCCCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100011933949 [0,1,0,0,0,1|2,0,0]=4 210 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000211349_100000737899 [0,1,0,0,0,1|2,0,0]=4 211 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100000211349_100000195508 [0,1,0,0,0,1|1,0,0]=3 212 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100011933949 [0,1,0,0,0,1|1,0,0]=3 213 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ccccc2s1 1458a_100000211349_100011217541 [0,1,0,0,0,1|1,1,0]=4 214 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2cccnc2[nH]1 1458a_100000211349_100011549802 [0,1,0,0,0,1|1,0,1]=4 215 B23R2.808902 C=CCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000211349_100000696355 [0,1,0,0,0,1|0,0,0]=2 216 B23R2.808902 C=CCCCCCCOCC(=O)Nc1nc2ccccc2s1 7a_200011216477_100000752643 [0,1,0,0,0,1|1,1,0]=4 217 B23R2.808902 C=CCCCCCOCCC(=O)Nc1nc2ccccc2s1 7a_100011216702_200011213626 [0,1,0,0,0,1|1,1,0]=4 218 B23R2.808902 CC#CCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000066323_100000696355 [0,1,0,0,0,1|0,0,2]=4 219 B23R2.808902 CCCCCCCCCCC(=O)Cc1nc2ncccc2o1 1458a_100000210375_100000696355 [0,1,0,0,0,1|0,0,2]=4 220 B23R2.808902 CCCCCCCCOCC(=O)Cc1nc2ncccc2o1 1458a_100000759886_100000696355 [0,1,0,0,0,1|0,0,2]=4 221 B23R2.808902 O=C(CCCCCCCCCF)Cc1nc2ncccc2o1 1458a_200009909015_100000696355 [0,1,0,0,0,1|0,0,2]=4 222 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2cc(ccc2[nH]1)Br 1458a_100011216160_100000701424 [0,1,0,0,0,1|2,0,0]=4 223 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2cc(ccc2[nH]1)Cl 1458a_100011216160_100000179801 [0,1,0,0,0,1|2,0,0]=4 224 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2cc(ccc2o1)Br 1458a_100011216160_100000730559 [0,1,0,0,0,1|1,0,0]=3 225 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2cc(ccc2o1)C 1458a_100011216160_100011374149 [0,1,0,0,0,1|1,0,0]=3 226 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2cc(ccc2o1)Cl 1458a_100011216160_100011222916 [0,1,0,0,0,1|1,0,0]=3 227 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2cc(ccc2o1)F 1458a_100011216160_100000687093 [0,1,0,0,0,1|1,0,0]=3 228 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2ccc(cc2[nH]1)C 1458a_100011216160_100020603265 [0,1,0,0,0,1|2,0,0]=4 229 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2ccc(cc2[nH]1)F 1458a_100011216160_200011347187 [0,1,0,0,0,1|2,0,0]=4 230 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2ccc(cc2o1)Br 1458a_100011216160_100000729449 [0,1,0,0,0,1|1,0,0]=3 231 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2ccc(cc2o1)C 1458a_100011216160_100011295139 [0,1,0,0,0,1|1,0,0]=3 232 B23R2.941518 C=CCCCCCCCC(=O)Cc1nc2ccc(cc2o1)F 1458a_100011216160_100000687025 [0,1,0,0,0,1|1,0,0]=3 233 B23R2.941523 C=CCCCCCCCC(=O)Cc1nc2c(cccc2o1)C 1458a_100011216160_100011397728 [0,1,0,0,0,1|1,0,0]=3 234 B23R2.941523 C=CCCCCCCCC(=O)Cc1nc2c(ccnc2[nH]1)C 1458a_100011216160_200000699823 [0,1,0,0,0,1|1,0,1]=4 235 B23R2.946259 CCCCCCCCC(O)C(=O)Cc1nc2ncccc2o1 1458a_200011995895_100000696355 [0,1,0,0,0,1|0,0,2]=4 236 B23R2.533961 C=CCCCCCCCC(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_100012355270 [0,1,0,0,0,1|2,0,0]=4 237 B23R2.533961 C=CCCCCCCCC(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_100012355270 [0,1,0,0,0,1|2,0,0]=4 238 B23R2.533989 C=CCCCCCCCC(=O)c1ccc2cccnc2c1O 1458a_100000036822_100012355270 [0,1,0,0,0,1|2,0,0]=4 239 B23R2.808935 C=CCCCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100011933949 [0,1,0,0,0,1|2,0,0]=4 240 B23R2.808935 C=CCCCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100011933949 [0,1,0,0,0,1|2,0,0]=4 241 B23R2.808935 C=CCCCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100011933949 [0,1,0,0,0,1|2,0,0]=4 242 B23R2.9624120 C=CCCCCCCCC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_100012355270 [0,1,0,0,0,1|2,0,0]=4 243 B23R2.9624120 C=CCCCCCCCC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_100012355270 [0,1,0,0,0,1|2,0,0]=4 244 B23R2.9624120 C=CCCCCCCCC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_100012355270 [0,1,0,0,0,1|2,0,0]=4 245 B23R2.9624218 C=CCCCCCCCC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_100012355270 [0,1,0,0,0,1|2,0,0]=4 246 B23R2.64483779 C=CCCCCCCCC(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_100012355270 [0,1,0,0,0,1|2,0,0]=4 247 B23R2.808923 C=CCCCCCCOCC(=O)c1cc2cc(ccc2o1)Br 34a_200011216477_100010170448 [0,2,0,0,0,0|2,0,0]=4 248 B23R2.808925 C=CCCCCCCSCC(=O)c1oc2ccccc2c1C 62a_100011215473_100000684729 [0,2,0,0,0,0|2,0,0]=4 249 B23R2.929433 C=CCCCCCCC(=O)CC(=O)c1cc2ccccc2o1 1458a_100011809334_100000209828 [0,2,0,0,0,0|2,0,0]=4 250 B23R2.949211 C=CCCCCCCCSCC(=O)c1cc2ccccc2o1 62a_100012355270_100000209828 [0,2,0,0,0,0|2,0,0]=4 251 B23R2.949211 C=CCCCCCCCSCC(=O)c1nc2ccccc2s1 62a_100000198972_100012355270 [0,2,0,0,0,0|1,1,0]=4 252 B23R3.9989722 CN1CCCCC1CCC(=O)Cc2nc3ncccc3o2 1458a_100000718493_100000696355 [0,0,0,1,0,1|1,0,1]=4 253 B23R3.9989722 O=C(CCN1CCCCC1=O)Cc2nc3ncccc3o2 1458a_100011236303_100000696355 [0,0,0,1,0,1|2,0,0]=4 254 B23R3.16357530 O=C(Cc1nc2ncccc2o1)CN3CCCCCC3=O 1458a_100000181294_100000696355 [0,0,0,1,0,1|2,0,0]=4 255 B23R3.19445676 O=C(CCCC1CCCCC1)Cc2nc3ncccc3o2 1458a_100000211478_100000696355 [0,0,0,1,0,1|0,0,2]=4 256 B23R3.151470784 O=C(CCCC[C@@H]1CCSS1)Cc2nc3ncccc3o2 1458a_100009816572_100000696355 [0,0,0,1,0,1|2,0,0]=4 257 B19R1.338 C=CCCCCCCCC(=O)C(=C)c1ccccc1 1458a_100000065200_100012355270 [0,0,1,0,1,0|2,0,0]=4 258 B19R1.338 C=CCCCCCCCC(=O)C(C)c1ccccn1 1458a_100000722050_100012355270 [0,0,1,0,1,0|1,0,1]=4 259 B19R1.338 C=CCCCCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100012355270 [0,0,1,0,1,0|1,0,1]=4 260 B19R1.30526 C=CCCCCCCCC(=O)Cc1ccccc1O 1458a_100000743006_100012355270 [0,0,1,0,1,0|1,0,1]=4 261 B19R1.30526 C=CCCCCCCCC(=O)Cc1cccnc1Br 1458a_100011216160_100010140945 [0,0,1,0,1,0|1,0,1]=4 262 B19R1.30526 C=CCCCCCCCC(=O)Cc1cccnc1C 1458a_100011216160_100000732876 [0,0,1,0,1,0|1,0,1]=4 263 B19R1.30526 C=CCCCCCCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100012355270 [0,0,1,0,1,0|1,0,1]=4 264 B19R1.30526 C=CCCCCCCCC(=O)Cc1cccnc1Cl 1458a_100011216160_100000045678 [0,0,1,0,1,0|1,0,1]=4 265 B19R1.30526 C=CCCCCCCCC(=O)Cc1cccnc1F 1458a_100011216160_100000099810 [0,0,1,0,1,0|1,0,1]=4 266 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1Br 1458a_100011216160_100025702911 [0,0,1,0,1,0|1,0,1]=4 267 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1Br 1458a_200012357574_100012355270 [0,0,1,0,1,0|1,0,1]=4 268 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1C 1458a_100011216160_100000696600 [0,0,1,0,1,0|1,0,1]=4 269 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1C 1458a_200000722269_100012355270 [0,0,1,0,1,0|1,0,1]=4 270 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1Cl 1458a_100011216160_100000099807 [0,0,1,0,1,0|1,0,1]=4 271 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100012355270 [0,0,1,0,1,0|1,0,1]=4 272 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1F 1458a_100011216160_100000104219 [0,0,1,0,1,0|1,0,1]=4 273 B19R1.30526 C=CCCCCCCCC(=O)Cc1ncccc1O 1458a_100011216160_200020655725 [0,0,1,0,1,0|0,0,1]=3 274 B19R1.30526 C=CCCCCCCCC(=O)Nc1ccccc1O 22a_100000185747_100011216160 [0,0,1,0,1,0|1,0,1]=4 275 B19R1.30526 C=CCCCCCCCC(=O)Nc1ccccc1O 527a_100000185747_100011216160 [0,0,1,0,1,0|1,0,1]=4 276 B21R1.40793 C=CCCCCCCCC(=O)CC(=O)Nc1ccccn1 1458a_100011216160_100020662008 [0,0,1,0,0,1|0,0,2]=4 277 B21R1.40793 C=CCCCCCCCC(=O)CC(=O)Oc1ccccc1 1458a_100011216160_100009813826 [0,0,1,0,0,1|2,0,0]=4 278 B21R2.29549 C=CCCCCCCCSc1ccc2cccnc2n1 62a_100000075685_100012355270 [1,0,0,0,0,1|2,0,0]=4 279 B21R2.29549 C=CCCCCCCCSc1ccc2cccnc2n1 62a_100012355270_100000075685 [1,0,0,0,0,1|2,0,0]=4 280 B21R2.29549 C=CCCCCCCCSc1cnc2cccnc2n1 62a_100012355270_200010275043 [1,0,0,0,0,1|2,0,0]=4 281 B21R2.29549 C=CCCCCCCCSc1cnc2cccnc2n1 62a_200010275043_100012355270 [1,0,0,0,0,1|2,0,0]=4 282 B21R2.29549 C=CCCCCCCCSc1cnc2ncccc2n1 62a_100000084304_100012355270 [1,0,0,0,0,1|2,0,0]=4 283 B21R2.29549 C=CCCCCCCCSc1cnc2ncccc2n1 62a_100012355270_100000084304 [1,0,0,0,0,1|2,0,0]=4 284 B21R2.29549 C=CCCCCCCCSc1ncc2cccnc2n1 62a_100009875485_100012355270 [1,0,0,0,0,1|2,0,0]=4 285 B21R2.29549 C=CCCCCCCCSc1ncc2cccnc2n1 62a_100012355270_100009875485 [1,0,0,0,0,1|2,0,0]=4 286 B21R2.67369 C=CCCCCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100011215473 [1,0,0,0,0,1|2,0,0]=4 287 B21R2.67369 C=CCCCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100011215473 [1,0,0,0,0,1|2,0,0]=4 288 B21R2.67369 C=CCCCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100011215473 [1,0,0,0,0,1|2,0,0]=4 289 B23R2.941499 C=CCCCCCCCC(=O)C=Cc1nc2ccccc2o1 1458a_100000697878_100012355270 [0,0,0,0,0,2|1,0,0]=3 290 B23R2.941499 C=CCCCCCCCC(=O)C=Cc1nc2ccccc2s1 1458a_100000682698_100012355270 [0,0,0,0,0,2|1,1,0]=4 291 B23R2.941499 C=CCCCCCCCC(=O)CCc1nc2ccccc2[nH]1 1458a_100102526157_100012355270 [0,0,0,0,0,2|2,0,0]=4 292 B23R2.941499 C=CCCCCCCCC(=O)CCc1nc2ccccc2s1 1458a_100000182949_100012355270 [0,0,0,0,0,2|1,1,0]=4 293 B23R2.941499 C=CCCCCCCCC(=O)CSc1nc2ccccc2[nH]1 1458a_100000179484_100012355270 [0,0,0,0,0,2|2,0,0]=4 294 B23R2.941499 C=CCCCCCCCC(=O)CSc1nc2ccccc2o1 1458a_200000179485_100012355270 [0,0,0,0,0,2|1,0,0]=3 295 B23R2.941499 C=CCCCCCCCC(=O)CSc1nc2ccccc2s1 1458a_100000179486_100012355270 [0,0,0,0,0,2|1,1,0]=4 296 B23R2.941499 C=CCCCCCCCC(=O)NCc1cc2ccccc2o1 11a_100011220112_100011216160 [0,0,0,0,0,2|2,0,0]=4 297 B23R2.941499 C=CCCCCCCCC(=O)NCc1cc2ccccc2o1 1626a_100011220112_100011216160 [0,0,0,0,0,2|2,0,0]=4 298 B23R2.941499 C=CCCCCCCCC(=O)NCc1cc2ccccc2o1 240690a_100011220112_100011216160 [0,0,0,0,0,2|2,0,0]=4 299 B23R2.941499 C=CCCCCCCCC(=O)NCc1cc2ccccc2o1 527a_100011220112_100011216160 [0,0,0,0,0,2|2,0,0]=4 300 B23R2.941499 C=CCCCCCCCC(=O)NCc1cn2cccnc2n1 11a_100025705072_100011216160 [0,0,0,0,0,2|2,0,0]=4 301 B23R2.941499 C=CCCCCCCCC(=O)NCc1cn2cccnc2n1 1626a_100025705072_100011216160 [0,0,0,0,0,2|2,0,0]=4 302 B23R2.941499 C=CCCCCCCCC(=O)NCc1cn2cccnc2n1 240690a_100025705072_100011216160 [0,0,0,0,0,2|2,0,0]=4 303 B23R2.941499 C=CCCCCCCCC(=O)NCc1cn2cccnc2n1 527a_100025705072_100011216160 [0,0,0,0,0,2|2,0,0]=4 304 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2[nH]1 240690a_100000729406_100011216160 [0,0,0,0,0,2|2,0,0]=4 305 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2[nH]1 527a_100000729406_100011216160 [0,0,0,0,0,2|2,0,0]=4 306 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2o1 11a_100000733820_100011216160 [0,0,0,0,0,2|1,0,0]=3 307 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2o1 1626a_100000733820_100011216160 [0,0,0,0,0,2|1,0,0]=3 308 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2o1 240690a_100000733820_100011216160 [0,0,0,0,0,2|1,0,0]=3 309 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2o1 527a_100000733820_100011216160 [0,0,0,0,0,2|1,0,0]=3 310 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2s1 11a_100000174905_100011216160 [0,0,0,0,0,2|1,1,0]=4 311 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2s1 1626a_100000174905_100011216160 [0,0,0,0,0,2|1,1,0]=4 312 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2s1 240690a_100000174905_100011216160 [0,0,0,0,0,2|1,1,0]=4 313 B23R2.941499 C=CCCCCCCCC(=O)NCc1nc2ccccc2s1 527a_100000174905_100011216160 [0,0,0,0,0,2|1,1,0]=4 314 B23R2.941499 C=CCCCCCCCC(=O)NNc1nc2ccccc2[nH]1 22a_100000188875_100011216160 [0,0,0,0,0,2|2,0,0]=4 315 B23R2.941499 C=CCCCCCCCC(=O)NNc1nc2ccccc2o1 22a_100000182307_100011216160 [0,0,0,0,0,2|1,0,0]=3 316 B23R2.941499 C=CCCCCCCCC(=O)NNc1nc2ccccc2s1 22a_100000181811_100011216160 [0,0,0,0,0,2|1,1,0]=4 317 B23R2.941524 C=CCCCCCCCC(=O)Cc1cc2ccccc2cn1 1458a_100011216160_100009869231 [0,0,0,0,0,2|2,0,0]=4 318 B23R2.941524 C=CCCCCCCCC(=O)Cc1ccc2ccccc2n1 1458a_100011216160_100000737579 [0,0,0,0,0,2|2,0,0]=4 319 B23R2.941524 C=CCCCCCCCC(=O)Cc1ccc2ncccc2c1 1458a_100011216160_100000703657 [0,0,0,0,0,2|2,0,0]=4 320 B23R2.941524 C=CCCCCCCCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100012355270 [0,0,0,0,0,2|2,0,0]=4 321 B23R2.941524 C=CCCCCCCCC(=O)Cc1cnc2ccccc2n1 1458a_100011216160_200000751123 [0,0,0,0,0,2|2,0,0]=4 322 B23R2.941524 C=CCCCCCCCC(=O)Cc1ncc2ccccc2n1 1458a_100011216160_100009868571 [0,0,0,0,0,2|2,0,0]=4 323 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100011216160 [0,0,0,0,0,2|2,0,0]=4 324 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100011216160 [0,0,0,0,0,2|2,0,0]=4 325 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100011216160 [0,0,0,0,0,2|2,0,0]=4 326 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100011216160 [0,0,0,0,0,2|2,0,0]=4 327 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100011216160 [0,0,0,0,0,2|2,0,0]=4 328 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100011216160 [0,0,0,0,0,2|2,0,0]=4 329 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100011216160 [0,0,0,0,0,2|2,0,0]=4 330 B23R2.941524 C=CCCCCCCCC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100011216160 [0,0,0,0,0,2|2,0,0]=4 331 B23R2.533970 C=CCCCCCCCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100012355270 [0,0,0,0,0,2|2,0,0]=4