0 B17R3.1928 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCCC3 2230a_100020588832_100000179811 [0,0,0,0,0,0|1,0,0]=1 1 B17R3.1928 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCCC3 34a_100020588832_100000179811 [0,0,0,0,0,0|1,0,0]=1 2 B17R3.1928 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCOC3 2230a_100020588832_100000731011 [0,0,0,0,0,0|0,1,0]=1 3 B17R3.1928 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCOC3 34a_100020588832_100000690089 [0,0,0,0,0,0|0,1,0]=1 4 B18R3.2940 O=C1OCC(O1)N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000032252 [0,1,0,0,0,0|1,1,1]=4 5 B18R3.2955 Brc1ccc(cc1)C2CC2NC3CCCC3 2230a_100000755575_100000179811 [0,1,0,0,0,0|1,0,0]=2 6 B18R3.2955 Brc1ccc(cc1)C2CC2NC3CCCC3 34a_100000755575_100000179811 [0,1,0,0,0,0|1,0,0]=2 7 B18R3.2955 Brc1ccc(cc1)C2CC2NC3CCOC3 2230a_100000755575_100000731011 [0,1,0,0,0,0|0,1,0]=2 8 B18R3.2955 Brc1ccc(cc1)C2CC2NC3CCOC3 34a_100000755575_100000690089 [0,1,0,0,0,0|0,1,0]=2 9 B18R3.2955 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCCC3 2230a_100025713227_100000179811 [0,1,0,0,0,0|1,0,0]=2 10 B18R3.2955 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCCC3 34a_100025713227_100000179811 [0,1,0,0,0,0|1,0,0]=2 11 B18R3.2955 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCOC3 2230a_100025713227_100000731011 [0,1,0,0,0,0|0,1,0]=2 12 B18R3.2955 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCOC3 34a_100025713227_100000690089 [0,1,0,0,0,0|0,1,0]=2 13 B18R3.3941 Fc1ccccc1C2CC2NC3CCCC3 2230a_100000753450_100000179811 [0,1,0,0,0,0|1,0,0]=2 14 B18R3.3941 Fc1ccccc1C2CC2NC3CCCC3 34a_100000753450_100000179811 [0,1,0,0,0,0|1,0,0]=2 15 B18R3.3941 Fc1ccccc1C2CC2NC3CCOC3 2230a_100000753450_100000731011 [0,1,0,0,0,0|0,1,0]=2 16 B18R3.3941 Fc1ccccc1C2CC2NC3CCOC3 34a_100000753450_100000690089 [0,1,0,0,0,0|0,1,0]=2 17 B18R3.6220 O=C1CCCC1N[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_100000211823 [0,1,0,0,0,0|1,0,1]=3 18 B18R3.6220 O=C1CCCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000709159 [0,1,0,0,0,0|1,0,1]=3 19 B18R3.6220 O=C1OCCC1N[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_100000211211 [0,1,0,0,0,0|0,1,1]=3 20 B18R3.6220 O=C1OCCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000211211 [0,1,0,0,0,0|0,1,1]=3 21 B18R3.6220 OC1COCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_200000725654 [0,1,0,0,0,0|0,1,0]=2 22 B18R3.182007 O=C(C1CC1c2cccnc2)N3CCSC3 11a_100011215254_100000746292 [0,1,0,0,0,0|3,0,0]=4 23 B18R3.182007 O=C(C1CC1c2cccnc2)N3CCSC3 240690a_100011215254_100000746292 [0,1,0,0,0,0|3,0,0]=4 24 B18R3.182007 O=C(C1CC1c2cccnc2)N3CCSC3 527a_100011215254_100000746292 [0,1,0,0,0,0|3,0,0]=4 25 B18R3.182007 O=C(C1CCCC1)C2CC2c3cccnc3 1458a_100000746292_100000179811 [0,1,0,0,0,0|3,0,0]=4 26 B18R3.182007 O=C(C1CCCC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000179811 [0,1,0,0,0,0|2,0,0]=3 27 B18R3.182007 O=C(C1CCOC1)C2CC2c3cccnc3 1458a_100000746292_100000690089 [0,1,0,0,0,0|2,1,0]=4 28 B18R3.182007 O=C(C1CCOC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000690089 [0,1,0,0,0,0|1,1,0]=3 29 B18R3.182007 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCCC3 240690a_100000188435_100009815801 [0,1,0,0,0,0|3,0,0]=4 30 B18R3.182007 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCCC3 527a_100000188435_100009815801 [0,1,0,0,0,0|3,0,0]=4 31 B18R3.182007 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCSC3 11a_100011215254_100009815801 [0,1,0,0,0,0|2,0,0]=3 32 B18R3.182007 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCSC3 240690a_100011215254_100009815801 [0,1,0,0,0,0|2,0,0]=3 33 B18R3.182007 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCSC3 527a_100011215254_100009815801 [0,1,0,0,0,0|2,0,0]=3 34 B16R2.524 CC(C[n+]1ccccc1)NC2CC=CC2 270004a_100015188752_100000034229 [0,0,1,0,0,0|2,0,1]=4 35 B16R2.524 CC(C[n+]1ccccc1)NC2CCCC2 270004a_100000211070_100000034229 [0,0,1,0,0,0|2,0,0]=3 36 B16R2.524 CC(C[n+]1ccccc1)N[C@@H]2CCOC2 270004a_200015188469_100000034229 [0,0,1,0,0,0|1,1,0]=3 37 B16R2.524 CC(C[n+]1ccccc1)N[C@H]2CCOC2 270004a_100015188467_100000034229 [0,0,1,0,0,0|1,1,0]=3 38 B16R2.524 CC(Cc1ccccc1)NC2CCCC2 34a_100000211070_200011218536 [0,0,1,0,0,0|1,0,0]=2 39 B16R2.524 CC(Cc1ccccc1)N[C@H]2CCOC2 34a_100015188467_200011218536 [0,0,1,0,0,0|0,1,0]=2 40 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 34a_100000210269_200011218536 [0,0,1,0,0,0|2,0,0]=3 41 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 34a_100000748627_100000179811 [0,0,1,0,0,0|2,0,0]=3 42 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 7a_100000210269_200011218536 [0,0,1,0,0,0|2,0,0]=3 43 B16R2.524 CC(Cc1ccccc1)OC2CCCC2 7a_100000748627_100000179811 [0,0,1,0,0,0|2,0,0]=3 44 B16R2.524 CC(Cc1ccccc1)OC2CCCO2 34a_100000085407_200011218536 [0,0,1,0,0,0|3,0,0]=4 45 B16R2.524 CC(Cc1ccccc1)OC2CCOC2 34a_100000748627_100000690089 [0,0,1,0,0,0|1,1,0]=3 46 B16R2.524 CC(Cc1ccccc1)OC2CCOC2 7a_100000748627_100000731011 [0,0,1,0,0,0|1,1,0]=3 47 B16R2.524 CC(Cc1ccccc1)OC2CCSC2 7a_100011232664_200011218536 [0,0,1,0,0,0|1,0,0]=2 48 B16R2.524 CC(Cc1ccccc1)O[C@H]2CCOC2 34a_100000717292_200011218536 [0,0,1,0,0,0|1,1,0]=3 49 B16R2.524 CC(Cc1ccccc1)SC2CCCC2 62a_100011217020_200011218536 [0,0,1,0,0,0|2,0,0]=3 50 B16R2.524 CC(Cc1ccccc1)SC2CCCC2 62a_200011218536_100000179811 [0,0,1,0,0,0|2,0,0]=3 51 B16R2.524 CC(Cc1ccccc1)SC2CCOC2 62a_200011218536_100000690089 [0,0,1,0,0,0|1,1,0]=3 52 B16R2.524 CC(Cc1ccccn1)NC2CCCC2 2230a_100000238496_100000179811 [0,0,1,0,0,0|2,0,0]=3 53 B16R2.524 CC(Cc1ccccn1)NC2CCCC2 270004a_100000238496_100000210133 [0,0,1,0,0,0|2,0,0]=3 54 B16R2.524 CC(Cc1ccccn1)NC2CCOC2 2230a_100000238496_100000731011 [0,0,1,0,0,0|1,1,0]=3 55 B16R2.524 CC(Cc1ccccn1)NC2CCOC2 270004a_100000238496_100000752484 [0,0,1,0,0,0|1,1,0]=3 56 B16R2.524 CC(Cc1ccccn1)NC2CCSC2 270004a_100000238496_100000212027 [0,0,1,0,0,0|1,0,0]=2 57 B16R2.524 CC(Cc1cccnc1)NC2CC=CC2 270004a_100015188752_100015187140 [0,0,1,0,0,0|2,0,1]=4 58 B16R2.524 CC(Cc1cccnc1)NC2CCCC2 2230a_100011207255_100000179811 [0,0,1,0,0,0|2,0,0]=3 59 B16R2.524 CC(Cc1cccnc1)NC2CCCC2 270004a_100000211070_100015187140 [0,0,1,0,0,0|2,0,0]=3 60 B16R2.524 CC(Cc1cccnc1)NC2CCCC2 270004a_100011207255_100000210133 [0,0,1,0,0,0|2,0,0]=3 61 B16R2.524 CC(Cc1cccnc1)NC2CCOC2 2230a_100011207255_100000731011 [0,0,1,0,0,0|1,1,0]=3 62 B16R2.524 CC(Cc1cccnc1)NC2CCOC2 270004a_100011207255_100000752484 [0,0,1,0,0,0|1,1,0]=3 63 B16R2.524 CC(Cc1cccnc1)NC2CCSC2 270004a_100011207255_100000212027 [0,0,1,0,0,0|1,0,0]=2 64 B16R2.524 CC(Cc1cccnc1)N[C@@H]2CCOC2 270004a_200015188469_100015187140 [0,0,1,0,0,0|1,1,0]=3 65 B16R2.524 CC(Cc1cccnc1)N[C@H]2CCOC2 270004a_100015188467_100015187140 [0,0,1,0,0,0|1,1,0]=3 66 B16R2.524 CC(Cc1ccncc1)NC2CC=CC2 270004a_100015188752_100000238508 [0,0,1,0,0,0|2,0,1]=4 67 B16R2.524 CC(Cc1ccncc1)NC2CCCC2 270004a_100000211070_100000238508 [0,0,1,0,0,0|2,0,0]=3 68 B16R2.524 CC(Cc1ccncc1)N[C@@H]2CCOC2 270004a_200015188469_100000238508 [0,0,1,0,0,0|1,1,0]=3 69 B16R2.524 CC(Cc1ccncc1)N[C@H]2CCOC2 270004a_100015188467_100000238508 [0,0,1,0,0,0|1,1,0]=3 70 B16R2.524 CC(Cc1cnccn1)NC2CCCC2 2230a_100011277835_100000179811 [0,0,1,0,0,0|3,0,0]=4 71 B16R2.524 CC(Cc1cnccn1)NC2CCCC2 270004a_100000211070_100015184882 [0,0,1,0,0,0|3,0,0]=4 72 B16R2.524 CC(Cc1cnccn1)NC2CCCC2 270004a_100011277835_100000210133 [0,0,1,0,0,0|3,0,0]=4 73 B16R2.524 CC(Cc1cnccn1)NC2CCOC2 2230a_100011277835_100000731011 [0,0,1,0,0,0|2,1,0]=4 74 B16R2.524 CC(Cc1cnccn1)NC2CCOC2 270004a_100011277835_100000752484 [0,0,1,0,0,0|2,1,0]=4 75 B16R2.524 CC(Cc1cnccn1)NC2CCSC2 270004a_100011277835_100000212027 [0,0,1,0,0,0|2,0,0]=3 76 B16R2.524 CC(Cc1cnccn1)N[C@@H]2CCOC2 270004a_200015188469_100015184882 [0,0,1,0,0,0|2,1,0]=4 77 B16R2.524 CC(Cc1cnccn1)N[C@H]2CCOC2 270004a_100015188467_100015184882 [0,0,1,0,0,0|2,1,0]=4 78 B16R2.524 CN(Cc1ccccc1)CC2CCCC2 2230a_100000186898_100000740388 [0,0,1,0,0,0|3,0,0]=4 79 B16R2.524 CN(Cc1ccccc1)CC2CCCC2 269982a_100000186898_100000740388 [0,0,1,0,0,0|3,0,0]=4 80 B16R2.524 CN(Cc1ccccc1)CC2CCOC2 2230a_100000186898_100000702531 [0,0,1,0,0,0|2,1,0]=4 81 B16R2.524 CN(Cc1ccccc1)CC2CCOC2 2230a_100000684583_100015291786 [0,0,1,0,0,0|2,1,0]=4 82 B16R2.524 CN(Cc1ccccc1)CC2CCOC2 269982a_100000186898_100000702531 [0,0,1,0,0,0|2,1,0]=4 83 B16R2.524 CN(Cc1ccccc1)CC2CCOC2 269982a_100000684583_100000211182 [0,0,1,0,0,0|2,1,0]=4 84 B16R2.524 CN(Cc1ccccc1)CC2CCOC2 270004a_100000684583_100015611070 [0,0,1,0,0,0|2,1,0]=4 85 B16R2.524 CN(Cc1ccccc1)CC2CCOC2 34a_100000684583_100015291786 [0,0,1,0,0,0|2,1,0]=4 86 B16R2.524 O[C@@H](Cc1ccccc1)CN2CCSC2 2230a_100011215254_100000729385 [0,0,1,0,0,0|3,0,0]=4 87 B16R2.524 O[C@@H](Cc1ccccc1)CN2CCSC2 269982a_100011215254_100000729385 [0,0,1,0,0,0|3,0,0]=4 88 B16R2.789 CC(CC#N)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009813641 [0,0,1,0,0,0|1,0,1]=3 89 B16R2.789 CC(CCO)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009893172 [0,0,1,0,0,0|0,1,0]=2 90 B16R2.789 CC(CCO)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009893172 [0,0,1,0,0,0|0,1,0]=2 91 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000211992 [0,0,1,0,0,0|2,0,1]=4 92 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000211992 [0,0,1,0,0,0|2,0,1]=4 93 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000211992 [0,0,1,0,0,0|2,0,1]=4 94 B16R2.789 CCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000211992 [0,0,1,0,0,0|2,0,1]=4 95 B16R2.789 CCCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000766640 [0,0,1,0,0,0|1,0,0]=2 96 B16R2.789 CCCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000766640 [0,0,1,0,0,0|1,0,0]=2 97 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000210968 [0,0,1,0,0,0|1,1,1]=4 98 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000210968 [0,0,1,0,0,0|1,1,1]=4 99 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000210968 [0,0,1,0,0,0|1,1,1]=4 100 B16R2.789 COCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000210968 [0,0,1,0,0,0|1,1,1]=4 101 B16R2.789 COCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000765312 [0,0,1,0,0,0|0,1,0]=2 102 B16R2.789 COCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000765312 [0,0,1,0,0,0|0,1,0]=2 103 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000184570 [0,0,1,0,0,0|1,0,1]=3 104 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000184570 [0,0,1,0,0,0|1,0,1]=3 105 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000184570 [0,0,1,0,0,0|1,0,1]=3 106 B16R2.789 CSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000184570 [0,0,1,0,0,0|1,0,1]=3 107 B16R2.789 O=C(CCO)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100011216618 [0,0,1,0,0,0|1,1,1]=4 108 B16R2.1265 C#CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000731252 [0,0,1,0,0,0|1,0,1]=3 109 B16R2.1265 C#CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000695029 [0,0,1,0,0,0|1,0,1]=3 110 B16R2.1265 C=CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011713584 [0,0,1,0,0,0|1,0,1]=3 111 B16R2.1265 C=CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000757094 [0,0,1,0,0,0|1,0,1]=3 112 B16R2.1265 C=COCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000039644 [0,0,1,0,0,0|0,1,2]=4 113 B16R2.1265 C=COCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000039644 [0,0,1,0,0,0|0,1,2]=4 114 B16R2.1265 CC/C=C\CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100103147603 [0,0,1,0,0,0|1,0,1]=3 115 B16R2.1265 CC/C=C\CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100103147603 [0,0,1,0,0,0|1,0,1]=3 116 B16R2.1265 CCC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100009813939 [0,0,1,0,0,0|1,0,1]=3 117 B16R2.1265 CCC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009813939 [0,0,1,0,0,0|1,0,1]=3 118 B16R2.1265 CCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210326 [0,0,1,0,0,0|1,0,0]=2 119 B16R2.1265 CCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000718602 [0,0,1,0,0,0|1,0,0]=2 120 B16R2.1265 CCCCOCC1CC1c2ccccc2 34a_100011997005_100000210210 [0,0,1,0,0,0|3,0,0]=4 121 B16R2.1265 CCCCOCC1CC1c2ccccc2 7a_100011997005_100000210211 [0,0,1,0,0,0|3,0,0]=4 122 B16R2.1265 CCOCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215890 [0,0,1,0,0,0|0,1,0]=2 123 B16R2.1265 CCOCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210147 [0,0,1,0,0,0|0,1,0]=2 124 B16R2.1265 CCSCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000757381 [0,0,1,0,0,0|0,0,0]=1 125 B16R2.1265 CCSCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000757381 [0,0,1,0,0,0|0,0,0]=1 126 B16R2.1265 COCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000740836 [0,0,1,0,0,0|0,1,0]=2 127 B16R2.1265 COCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000740836 [0,0,1,0,0,0|0,1,0]=2 128 B16R2.1265 COCCOCC1CC1c2ccccc2 34a_100011997005_100011201679 [0,0,1,0,0,0|2,1,0]=4 129 B16R2.1265 COCCOCC1CC1c2ccccc2 7a_100011997005_100000233755 [0,0,1,0,0,0|2,1,0]=4 130 B16R2.1265 CSCCOCC1CC1c2ccccc2 34a_100011997005_100000212216 [0,0,1,0,0,0|2,0,0]=3 131 B16R2.1265 CSCCOCC1CC1c2ccccc2 7a_100011997005_100000212216 [0,0,1,0,0,0|2,0,0]=3 132 B16R2.1265 CSCCOCC1OC1c2ccccc2 34a_100000032844_100000212216 [0,0,1,0,0,0|3,0,0]=4 133 B16R2.1265 CSCCOCC1OC1c2ccccc2 7a_100000032844_100000212216 [0,0,1,0,0,0|3,0,0]=4 134 B16R2.1265 FCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000729493 [0,0,1,0,0,0|2,0,0]=3 135 B16R2.1265 FCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000729493 [0,0,1,0,0,0|2,0,0]=3 136 B16R2.1265 N#CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000687738 [0,0,1,0,0,0|2,0,0]=3 137 B16R2.1265 O=CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200011292268 [0,0,1,0,0,0|2,0,0]=3 138 B16R2.1265 OCC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000047223 [0,0,1,0,0,0|2,0,1]=4 139 B16R2.1265 OCC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000047223 [0,0,1,0,0,0|2,0,1]=4 140 B16R2.1265 OCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210776 [0,0,1,0,0,0|2,0,0]=3 141 B16R2.1265 OCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011216708 [0,0,1,0,0,0|2,0,0]=3 142 B16R2.2257 C(#Cc1ccccc1)CNC2CCCC2 2230a_100000211070_100011352542 [0,0,1,0,0,0|1,0,2]=4 143 B16R2.2257 C(#Cc1ccccc1)CNC2CCCC2 34a_100000211070_100011352542 [0,0,1,0,0,0|1,0,2]=4 144 B16R2.2257 C(#Cc1ccccc1)CNC2CCCC2 34a_100000735379_100000179811 [0,0,1,0,0,0|1,0,2]=4 145 B16R2.2257 C(#Cc1ccccc1)CNC2CCOC2 34a_100000735379_100000690089 [0,0,1,0,0,0|0,1,2]=4 146 B16R2.2257 C(#Cc1ccccc1)CN[C@@H]2CCOC2 2230a_200015188469_100011352542 [0,0,1,0,0,0|0,1,2]=4 147 B16R2.2257 C(#Cc1ccccc1)CN[C@H]2CCOC2 2230a_100015188467_100011352542 [0,0,1,0,0,0|0,1,2]=4 148 B16R2.2257 C(#Cc1ccccc1)CN[C@H]2CCOC2 34a_100015188467_100011352542 [0,0,1,0,0,0|0,1,2]=4 149 B16R2.2257 C(#Cc1ccccc1)COC2CCSC2 7a_100011232664_100011352542 [0,0,1,0,0,0|1,0,2]=4 150 B16R2.2257 C(=C/c1ccccc1)\CNC2CCCC2 2230a_100000211070_100016265936 [0,0,1,0,0,0|1,0,2]=4 151 B16R2.2257 C(=C/c1ccccc1)\CNC2CCCC2 2230a_100020603302_100000179811 [0,0,1,0,0,0|1,0,2]=4 152 B16R2.2257 C(=C/c1ccccc1)\CNC2CCCC2 270004a_100020603302_100000210133 [0,0,1,0,0,0|1,0,2]=4 153 B16R2.2257 C(=C/c1ccccc1)\CNC2CCCC2 34a_100000211070_100016265936 [0,0,1,0,0,0|1,0,2]=4 154 B16R2.2257 C(=C/c1ccccc1)\CNC2CCCC2 34a_100020603302_100000179811 [0,0,1,0,0,0|1,0,2]=4 155 B16R2.2257 C(=C/c1ccccc1)\CNC2CCOC2 2230a_100020603302_100000731011 [0,0,1,0,0,0|0,1,2]=4 156 B16R2.2257 C(=C/c1ccccc1)\CNC2CCOC2 270004a_100020603302_100000752484 [0,0,1,0,0,0|0,1,2]=4 157 B16R2.2257 C(=C/c1ccccc1)\CNC2CCOC2 34a_100020603302_100000690089 [0,0,1,0,0,0|0,1,2]=4 158 B16R2.2257 C(=C/c1ccccc1)\CNC2CCSC2 270004a_100020603302_100000212027 [0,0,1,0,0,0|0,0,2]=3 159 B16R2.2257 C(=C/c1ccccc1)\CN[C@@H]2CCOC2 2230a_200015188469_100016265936 [0,0,1,0,0,0|0,1,2]=4 160 B16R2.2257 C(=C/c1ccccc1)\CN[C@H]2CCOC2 2230a_100015188467_100016265936 [0,0,1,0,0,0|0,1,2]=4 161 B16R2.2257 C(=C/c1ccccc1)\CN[C@H]2CCOC2 34a_100015188467_100016265936 [0,0,1,0,0,0|0,1,2]=4 162 B16R2.2257 C(=C/c1ccccc1)\COC2CCSC2 7a_100011232664_100016265936 [0,0,1,0,0,0|1,0,2]=4 163 B16R2.2257 C(=Cc1ccccc1)CNC2CCCC2 270004a_100000211070_100000210105 [0,0,1,0,0,0|1,0,2]=4 164 B16R2.2257 C(=Cc1ccccc1)CN[C@@H]2CCOC2 270004a_200015188469_100000210105 [0,0,1,0,0,0|0,1,2]=4 165 B16R2.2257 C(=Cc1ccccc1)CN[C@H]2CCOC2 270004a_100015188467_100000210105 [0,0,1,0,0,0|0,1,2]=4 166 B16R2.2257 C(=NNC1CCCC1)Cc2ccccc2 4a_100000737850_100000209964 [0,0,1,0,0,0|2,0,1]=4 167 B16R2.2257 C(=NNC1CCOC1)Cc2ccccc2 4a_100000690549_100000209964 [0,0,1,0,0,0|1,1,1]=4 168 B16R2.2257 C(=NNC1CCSC1)Cc2ccccc2 4a_200000731317_100000209964 [0,0,1,0,0,0|1,0,1]=3 169 B16R2.2257 C1=CCC(C1)NCCCc2ccccc2 2230a_100015188752_100000211621 [0,0,1,0,0,0|1,0,1]=3 170 B16R2.2257 C1=CCC(C1)NCCOc2ccccc2 2230a_100015188752_100000184471 [0,0,1,0,0,0|2,0,1]=4 171 B16R2.2257 C1=CCC(C1)NCCOc2ccccc2 270004a_100015188752_100000758736 [0,0,1,0,0,0|2,0,1]=4 172 B16R2.2257 C1=CCC(C1)NCCSc2ccccc2 2230a_100015188752_100000246102 [0,0,1,0,0,0|2,0,1]=4 173 B16R2.2257 C1=CCC(C1)NCOCc2ccccc2 2230a_100015188752_100000763385 [0,0,1,0,0,0|2,0,1]=4 174 B16R2.2257 C1=CCC(C1)NCSCc2ccccc2 2230a_100015188752_200011217039 [0,0,1,0,0,0|2,0,1]=4 175 B16R2.2257 c1cc(ccn1)CCCCN2CCSC2 2230a_100011215254_100020630000 [0,0,1,0,0,0|3,0,0]=4 176 B16R2.2257 c1cc(ccn1)CCCCN2CCSC2 269982a_100011215254_100020630000 [0,0,1,0,0,0|3,0,0]=4 177 B16R2.2257 c1cc(ccn1)CCCNC2CCCC2 2230a_100011275580_100000179811 [0,0,1,0,0,0|2,0,0]=3 178 B16R2.2257 c1cc(ccn1)CCCNC2CCCC2 270004a_100011275580_100000210133 [0,0,1,0,0,0|2,0,0]=3 179 B16R2.2257 c1cc(ccn1)CCCNC2CCOC2 2230a_100011275580_100000731011 [0,0,1,0,0,0|1,1,0]=3 180 B16R2.2257 c1cc(ccn1)CCCNC2CCOC2 270004a_100011275580_100000752484 [0,0,1,0,0,0|1,1,0]=3 181 B16R2.2257 c1cc(ccn1)CCCNC2CCSC2 270004a_100011275580_100000212027 [0,0,1,0,0,0|1,0,0]=2 182 B16R2.2257 c1cc(ccn1)CCCOC2CCCC2 34a_100000210659_100000179811 [0,0,1,0,0,0|3,0,0]=4 183 B16R2.2257 c1cc(ccn1)CCCOC2CCOC2 34a_100000210659_100000690089 [0,0,1,0,0,0|2,1,0]=4 184 B16R2.2257 c1cc(ccn1)OCCNC2CCCC2 270004a_100025717301_100000210133 [0,0,1,0,0,0|3,0,0]=4 185 B16R2.2257 c1cc(ccn1)OCCNC2CCOC2 270004a_100025717301_100000752484 [0,0,1,0,0,0|2,1,0]=4 186 B16R2.2257 c1cc(ccn1)OCCNC2CCSC2 270004a_100025717301_100000212027 [0,0,1,0,0,0|2,0,0]=3 187 B16R2.2257 c1ccc(cc1)CCCCN2CCCC2 2230a_100000188435_100000701786 [0,0,1,0,0,0|3,0,0]=4 188 B16R2.2257 c1ccc(cc1)CCCCN2CCCC2 269982a_100000188435_100000701786 [0,0,1,0,0,0|3,0,0]=4 189 B16R2.2257 c1ccc(cc1)CCCCN2CCSC2 2230a_100011215254_100000701786 [0,0,1,0,0,0|2,0,0]=3 190 B16R2.2257 c1ccc(cc1)CCCCN2CCSC2 269982a_100011215254_100000701786 [0,0,1,0,0,0|2,0,0]=3 191 B16R2.2257 c1ccc(cc1)CCCNC2CCCC2 2230a_100000211070_100000211621 [0,0,1,0,0,0|1,0,0]=2 192 B16R2.2257 c1ccc(cc1)CCCNC2CCCC2 2230a_100000211184_100000179811 [0,0,1,0,0,0|1,0,0]=2 193 B16R2.2257 c1ccc(cc1)CCCNC2CCCC2 270004a_100000211184_100000210133 [0,0,1,0,0,0|1,0,0]=2 194 B16R2.2257 c1ccc(cc1)CCCNC2CCCC2 34a_100000211070_100000211621 [0,0,1,0,0,0|1,0,0]=2 195 B16R2.2257 c1ccc(cc1)CCCNC2CCCC2 34a_100000211184_100000179811 [0,0,1,0,0,0|1,0,0]=2 196 B16R2.2257 c1ccc(cc1)CCCNC2CCOC2 2230a_100000211184_100000731011 [0,0,1,0,0,0|0,1,0]=2 197 B16R2.2257 c1ccc(cc1)CCCNC2CCOC2 270004a_100000211184_100000752484 [0,0,1,0,0,0|0,1,0]=2 198 B16R2.2257 c1ccc(cc1)CCCNC2CCOC2 34a_100000211184_100000690089 [0,0,1,0,0,0|0,1,0]=2 199 B16R2.2257 c1ccc(cc1)CCCNC2CCSC2 270004a_100000211184_100000212027 [0,0,1,0,0,0|0,0,0]=1 200 B16R2.2257 c1ccc(cc1)CCCN[C@@H]2CCOC2 2230a_200015188469_100000211621 [0,0,1,0,0,0|0,1,0]=2 201 B16R2.2257 c1ccc(cc1)CCCN[C@H]2CCOC2 2230a_100015188467_100000211621 [0,0,1,0,0,0|0,1,0]=2 202 B16R2.2257 c1ccc(cc1)CCCN[C@H]2CCOC2 34a_100015188467_100000211621 [0,0,1,0,0,0|0,1,0]=2 203 B16R2.2257 c1ccc(cc1)CCCOC2CCCC2 34a_100000210269_100000211621 [0,0,1,0,0,0|2,0,0]=3 204 B16R2.2257 c1ccc(cc1)CCCOC2CCCC2 34a_100000210828_100000179811 [0,0,1,0,0,0|2,0,0]=3 205 B16R2.2257 c1ccc(cc1)CCCOC2CCCC2 7a_100000210269_100000211621 [0,0,1,0,0,0|2,0,0]=3 206 B16R2.2257 c1ccc(cc1)CCCOC2CCCC2 7a_100000210828_100000179811 [0,0,1,0,0,0|2,0,0]=3 207 B16R2.2257 c1ccc(cc1)CCCOC2CCCO2 34a_100000085407_100000211621 [0,0,1,0,0,0|3,0,0]=4 208 B16R2.2257 c1ccc(cc1)CCCOC2CCOC2 34a_100000210828_100000690089 [0,0,1,0,0,0|1,1,0]=3 209 B16R2.2257 c1ccc(cc1)CCCOC2CCOC2 7a_100000210828_100000731011 [0,0,1,0,0,0|1,1,0]=3 210 B16R2.2257 c1ccc(cc1)CCCOC2CCSC2 7a_100011232664_100000211621 [0,0,1,0,0,0|1,0,0]=2 211 B16R2.2257 c1ccc(cc1)CCCO[C@H]2CCOC2 34a_100000717292_100000211621 [0,0,1,0,0,0|1,1,0]=3 212 B16R2.2257 c1ccc(cc1)CCCSC2CCCC2 62a_100000211621_100000179811 [0,0,1,0,0,0|2,0,0]=3 213 B16R2.2257 c1ccc(cc1)CCCSC2CCCC2 62a_100011217020_100000211621 [0,0,1,0,0,0|2,0,0]=3 214 B16R2.2257 c1ccc(cc1)CCCSC2CCOC2 62a_100000211621_100000690089 [0,0,1,0,0,0|1,1,0]=3 215 B16R2.2257 c1ccc(cc1)CCNCC2CCCC2 2230a_100000106460_100000740388 [0,0,1,0,0,0|3,0,0]=4 216 B16R2.2257 c1ccc(cc1)CCNCC2CCCC2 2230a_100000737975_100000765856 [0,0,1,0,0,0|3,0,0]=4 217 B16R2.2257 c1ccc(cc1)CCNCC2CCCC2 269862a_100000106460_100000746403 [0,0,1,0,0,0|3,0,0]=4 218 B16R2.2257 c1ccc(cc1)CCNCC2CCCC2 34a_100000106460_100000740388 [0,0,1,0,0,0|3,0,0]=4 219 B16R2.2257 c1ccc(cc1)CCNCC2CCCC2 34a_100000737975_100000765856 [0,0,1,0,0,0|3,0,0]=4 220 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 2230a_100000106460_100000702531 [0,0,1,0,0,0|2,1,0]=4 221 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 2230a_100000737293_100000765856 [0,0,1,0,0,0|2,1,0]=4 222 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 34a_100000106460_100011261433 [0,0,1,0,0,0|2,1,0]=4 223 B16R2.2257 c1ccc(cc1)CCNCC2CCOC2 34a_100000737293_100000765856 [0,0,1,0,0,0|2,1,0]=4 224 B16R2.2257 c1ccc(cc1)CCNN=C2CCSC2 4a_100000740470_100000212027 [0,0,1,0,0,0|1,0,2]=4 225 B16R2.2257 c1ccc(cc1)CCOCC2CCCC2 34a_100000210268_100000740388 [0,0,1,0,0,0|3,0,0]=4 226 B16R2.2257 c1ccc(cc1)CCOCC2CCCC2 34a_100000742336_100000765856 [0,0,1,0,0,0|3,0,0]=4 227 B16R2.2257 c1ccc(cc1)CCOCC2CCCC2 7a_100000210268_100000740388 [0,0,1,0,0,0|3,0,0]=4 228 B16R2.2257 c1ccc(cc1)CCOCC2CCCC2 7a_100000742336_100000765856 [0,0,1,0,0,0|3,0,0]=4 229 B16R2.2257 c1ccc(cc1)CCOCC2CCNC2 34a_100000748654_100000765856 [0,0,1,0,0,0|3,0,0]=4 230 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 34a_100000210268_100011261433 [0,0,1,0,0,0|2,1,0]=4 231 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 34a_100000740260_100000765856 [0,0,1,0,0,0|2,1,0]=4 232 B16R2.2257 c1ccc(cc1)CCOCC2CCOC2 7a_100000210268_100000702531 [0,0,1,0,0,0|2,1,0]=4 233 B16R2.2257 c1ccc(cc1)CCSCC2CCCC2 62a_100000740388_100011218657 [0,0,1,0,0,0|3,0,0]=4 234 B16R2.2257 c1ccc(cc1)CCSCC2CCCC2 62a_100000765856_100000740388 [0,0,1,0,0,0|3,0,0]=4 235 B16R2.2257 c1ccc(cc1)CCSCC2CCOC2 62a_100000702531_100011218657 [0,0,1,0,0,0|2,1,0]=4 236 B16R2.2257 c1ccc(cc1)CCSCC2CCOC2 62a_100000765856_100000702531 [0,0,1,0,0,0|2,1,0]=4 237 B16R2.2257 c1ccc(cc1)CNCCC2CCCC2 207a_100000739158_100015611070 [0,0,1,0,0,0|3,0,0]=4 238 B16R2.2257 c1ccc(cc1)CNCCC2CCCC2 2230a_100000739158_100015291786 [0,0,1,0,0,0|3,0,0]=4 239 B16R2.2257 c1ccc(cc1)CNCCC2CCCC2 2230a_100015324214_100000760354 [0,0,1,0,0,0|3,0,0]=4 240 B16R2.2257 c1ccc(cc1)CNCCC2CCCC2 270004a_100000739158_100015611070 [0,0,1,0,0,0|3,0,0]=4 241 B16R2.2257 c1ccc(cc1)CNCCC2CCCC2 34a_100000739158_100015291786 [0,0,1,0,0,0|3,0,0]=4 242 B16R2.2257 c1ccc(cc1)CNCCC2CCCC2 34a_100015324214_100000760354 [0,0,1,0,0,0|3,0,0]=4 243 B16R2.2257 c1ccc(cc1)COCCC2CCCC2 34a_100000210790_100000760354 [0,0,1,0,0,0|3,0,0]=4 244 B16R2.2257 c1ccc(cc1)COCCC2CCCC2 34a_100000749090_100015291786 [0,0,1,0,0,0|3,0,0]=4 245 B16R2.2257 c1ccc(cc1)COCCC2CCCC2 7a_100000210790_100000760354 [0,0,1,0,0,0|3,0,0]=4 246 B16R2.2257 c1ccc(cc1)COCCC2CCCC2 7a_100000749090_100000211182 [0,0,1,0,0,0|3,0,0]=4 247 B16R2.2257 c1ccc(cc1)COCCC2CCNC2 34a_100016987287_100015291786 [0,0,1,0,0,0|3,0,0]=4 248 B16R2.2257 c1ccc(cc1)COCCC2CCOC2 34a_100011879284_100015291786 [0,0,1,0,0,0|2,1,0]=4 249 B16R2.2257 c1ccc(cc1)COCCN2CCSC2 2230a_100011215254_100000234347 [0,0,1,0,0,0|3,0,0]=4 250 B16R2.2257 c1ccc(cc1)COCCN2CCSC2 269982a_100011215254_100000234347 [0,0,1,0,0,0|3,0,0]=4 251 B16R2.2257 c1ccc(cc1)COCNC2CCCC2 2230a_100000211070_100000763385 [0,0,1,0,0,0|2,0,0]=3 252 B16R2.2257 c1ccc(cc1)COCNC2CCCC2 34a_100000211070_100000763385 [0,0,1,0,0,0|2,0,0]=3 253 B16R2.2257 c1ccc(cc1)COCN[C@@H]2CCOC2 2230a_200015188469_100000763385 [0,0,1,0,0,0|1,1,0]=3 254 B16R2.2257 c1ccc(cc1)COCN[C@H]2CCOC2 2230a_100015188467_100000763385 [0,0,1,0,0,0|1,1,0]=3 255 B16R2.2257 c1ccc(cc1)COCN[C@H]2CCOC2 34a_100015188467_100000763385 [0,0,1,0,0,0|1,1,0]=3 256 B16R2.2257 c1ccc(cc1)COCOC2CCCC2 34a_100000210269_100000763385 [0,0,1,0,0,0|3,0,0]=4 257 B16R2.2257 c1ccc(cc1)COCO[C@H]2CCOC2 34a_100000717292_100000763385 [0,0,1,0,0,0|2,1,0]=4 258 B16R2.2257 c1ccc(cc1)COCSC2CCCC2 62a_100000763385_100000179811 [0,0,1,0,0,0|3,0,0]=4 259 B16R2.2257 c1ccc(cc1)COCSC2CCCC2 62a_100011217020_100000763385 [0,0,1,0,0,0|3,0,0]=4 260 B16R2.2257 c1ccc(cc1)COCSC2CCOC2 62a_100000763385_100000690089 [0,0,1,0,0,0|2,1,0]=4 261 B16R2.2257 c1ccc(cc1)CSCCC2CCCC2 62a_100000211182_100000760354 [0,0,1,0,0,0|3,0,0]=4 262 B16R2.2257 c1ccc(cc1)CSCCC2CCCC2 62a_100000760354_100015291786 [0,0,1,0,0,0|3,0,0]=4 263 B16R2.2257 c1ccc(cc1)CSCCN2CCSC2 2230a_100011215254_200011297719 [0,0,1,0,0,0|3,0,0]=4 264 B16R2.2257 c1ccc(cc1)CSCCN2CCSC2 269982a_100011215254_200011297719 [0,0,1,0,0,0|3,0,0]=4 265 B16R2.2257 c1ccc(cc1)CSCNC2CCCC2 2230a_100000211070_200011217039 [0,0,1,0,0,0|2,0,0]=3 266 B16R2.2257 c1ccc(cc1)CSCNC2CCCC2 34a_100000211070_200011217039 [0,0,1,0,0,0|2,0,0]=3 267 B16R2.2257 c1ccc(cc1)CSCN[C@@H]2CCOC2 2230a_200015188469_200011217039 [0,0,1,0,0,0|1,1,0]=3 268 B16R2.2257 c1ccc(cc1)CSCN[C@H]2CCOC2 2230a_100015188467_200011217039 [0,0,1,0,0,0|1,1,0]=3 269 B16R2.2257 c1ccc(cc1)CSCN[C@H]2CCOC2 34a_100015188467_200011217039 [0,0,1,0,0,0|1,1,0]=3 270 B16R2.2257 c1ccc(cc1)CSCOC2CCCC2 34a_100000210269_200011217039 [0,0,1,0,0,0|3,0,0]=4 271 B16R2.2257 c1ccc(cc1)CSCO[C@H]2CCOC2 34a_100000717292_200011217039 [0,0,1,0,0,0|2,1,0]=4 272 B16R2.2257 c1ccc(cc1)CSCSC2CCCC2 62a_100011217020_200011217039 [0,0,1,0,0,0|3,0,0]=4 273 B16R2.2257 c1ccc(cc1)CSCSC2CCCC2 62a_200011217039_100000179811 [0,0,1,0,0,0|3,0,0]=4 274 B16R2.2257 c1ccc(cc1)CSCSC2CCOC2 62a_200011217039_100000690089 [0,0,1,0,0,0|2,1,0]=4 275 B16R2.2257 c1ccc(cc1)NCCCC2CCCC2 34a_100000106764_100011713738 [0,0,1,0,0,0|3,0,0]=4 276 B16R2.2257 c1ccc(cc1)NCCOC2CCCC2 34a_100000211345_100000179811 [0,0,1,0,0,0|3,0,0]=4 277 B16R2.2257 c1ccc(cc1)NCCOC2CCOC2 34a_100000211345_100000690089 [0,0,1,0,0,0|2,1,0]=4 278 B16R2.2257 c1ccc(cc1)OCCCC2CCCC2 34a_100000210340_100011713738 [0,0,1,0,0,0|3,0,0]=4 279 B16R2.2257 c1ccc(cc1)OCCCC2CCCC2 7a_100000210340_100011713738 [0,0,1,0,0,0|3,0,0]=4 280 B16R2.2257 c1ccc(cc1)OCCCN2CCSC2 2230a_100011215254_100000199009 [0,0,1,0,0,0|3,0,0]=4 281 B16R2.2257 c1ccc(cc1)OCCCN2CCSC2 269982a_100011215254_100000199009 [0,0,1,0,0,0|3,0,0]=4 282 B16R2.2257 c1ccc(cc1)OCCNC2CCCC2 2230a_100000174943_100000179811 [0,0,1,0,0,0|2,0,0]=3 283 B16R2.2257 c1ccc(cc1)OCCNC2CCCC2 2230a_100000211070_100000184471 [0,0,1,0,0,0|2,0,0]=3 284 B16R2.2257 c1ccc(cc1)OCCNC2CCCC2 270004a_100000174943_100000210133 [0,0,1,0,0,0|2,0,0]=3 285 B16R2.2257 c1ccc(cc1)OCCNC2CCCC2 270004a_100000211070_100000758736 [0,0,1,0,0,0|2,0,0]=3 286 B16R2.2257 c1ccc(cc1)OCCNC2CCCC2 34a_100000174943_100000179811 [0,0,1,0,0,0|2,0,0]=3 287 B16R2.2257 c1ccc(cc1)OCCNC2CCCC2 34a_100000211070_100000184471 [0,0,1,0,0,0|2,0,0]=3 288 B16R2.2257 c1ccc(cc1)OCCNC2CCOC2 2230a_100000174943_100000731011 [0,0,1,0,0,0|1,1,0]=3 289 B16R2.2257 c1ccc(cc1)OCCNC2CCOC2 270004a_100000174943_100000752484 [0,0,1,0,0,0|1,1,0]=3 290 B16R2.2257 c1ccc(cc1)OCCNC2CCOC2 34a_100000174943_100000690089 [0,0,1,0,0,0|1,1,0]=3 291 B16R2.2257 c1ccc(cc1)OCCNC2CCSC2 270004a_100000174943_100000212027 [0,0,1,0,0,0|1,0,0]=2 292 B16R2.2257 c1ccc(cc1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000184471 [0,0,1,0,0,0|1,1,0]=3 293 B16R2.2257 c1ccc(cc1)OCCN[C@@H]2CCOC2 270004a_200015188469_100000758736 [0,0,1,0,0,0|1,1,0]=3 294 B16R2.2257 c1ccc(cc1)OCCN[C@H]2CCOC2 2230a_100015188467_100000184471 [0,0,1,0,0,0|1,1,0]=3 295 B16R2.2257 c1ccc(cc1)OCCN[C@H]2CCOC2 270004a_100015188467_100000758736 [0,0,1,0,0,0|1,1,0]=3 296 B16R2.2257 c1ccc(cc1)OCCN[C@H]2CCOC2 34a_100015188467_100000184471 [0,0,1,0,0,0|1,1,0]=3 297 B16R2.2257 c1ccc(cc1)OCCOC2CCCC2 34a_100000210260_100000179811 [0,0,1,0,0,0|3,0,0]=4 298 B16R2.2257 c1ccc(cc1)OCCOC2CCCC2 34a_100000210269_100000184471 [0,0,1,0,0,0|3,0,0]=4 299 B16R2.2257 c1ccc(cc1)OCCOC2CCCC2 7a_100000210260_100000179811 [0,0,1,0,0,0|3,0,0]=4 300 B16R2.2257 c1ccc(cc1)OCCOC2CCCC2 7a_100000210269_100000184471 [0,0,1,0,0,0|3,0,0]=4 301 B16R2.2257 c1ccc(cc1)OCCOC2CCOC2 34a_100000210260_100000690089 [0,0,1,0,0,0|2,1,0]=4 302 B16R2.2257 c1ccc(cc1)OCCOC2CCOC2 7a_100000210260_100000731011 [0,0,1,0,0,0|2,1,0]=4 303 B16R2.2257 c1ccc(cc1)OCCOC2CCSC2 7a_100011232664_100000184471 [0,0,1,0,0,0|2,0,0]=3 304 B16R2.2257 c1ccc(cc1)OCCO[C@H]2CCOC2 34a_100000717292_100000184471 [0,0,1,0,0,0|2,1,0]=4 305 B16R2.2257 c1ccc(cc1)OCCSC2CCCC2 62a_100000184471_100000179811 [0,0,1,0,0,0|3,0,0]=4 306 B16R2.2257 c1ccc(cc1)OCCSC2CCCC2 62a_100011217020_100000184471 [0,0,1,0,0,0|3,0,0]=4 307 B16R2.2257 c1ccc(cc1)OCCSC2CCOC2 62a_100000184471_100000690089 [0,0,1,0,0,0|2,1,0]=4 308 B16R2.2257 c1ccc(cc1)SCCCC2CCCC2 62a_100000719477_100011713738 [0,0,1,0,0,0|3,0,0]=4 309 B16R2.2257 c1ccc(cc1)SCCCC2CCCC2 62a_100011713738_100000041952 [0,0,1,0,0,0|3,0,0]=4 310 B16R2.2257 c1ccc(cc1)SCCCN2CCSC2 2230a_100011215254_200011203293 [0,0,1,0,0,0|3,0,0]=4 311 B16R2.2257 c1ccc(cc1)SCCCN2CCSC2 269982a_100011215254_200011203293 [0,0,1,0,0,0|3,0,0]=4 312 B16R2.2257 c1ccc(cc1)SCCNC2CCCC2 2230a_100000189519_100000179811 [0,0,1,0,0,0|2,0,0]=3 313 B16R2.2257 c1ccc(cc1)SCCNC2CCCC2 2230a_100000211070_100000246102 [0,0,1,0,0,0|2,0,0]=3 314 B16R2.2257 c1ccc(cc1)SCCNC2CCCC2 270004a_100000189519_100000210133 [0,0,1,0,0,0|2,0,0]=3 315 B16R2.2257 c1ccc(cc1)SCCNC2CCCC2 34a_100000211070_100000246102 [0,0,1,0,0,0|2,0,0]=3 316 B16R2.2257 c1ccc(cc1)SCCNC2CCOC2 2230a_100000189519_100000731011 [0,0,1,0,0,0|1,1,0]=3 317 B16R2.2257 c1ccc(cc1)SCCNC2CCOC2 270004a_100000189519_100000752484 [0,0,1,0,0,0|1,1,0]=3 318 B16R2.2257 c1ccc(cc1)SCCNC2CCSC2 270004a_100000189519_100000212027 [0,0,1,0,0,0|1,0,0]=2 319 B16R2.2257 c1ccc(cc1)SCCN[C@@H]2CCOC2 2230a_200015188469_100000246102 [0,0,1,0,0,0|1,1,0]=3 320 B16R2.2257 c1ccc(cc1)SCCN[C@H]2CCOC2 2230a_100015188467_100000246102 [0,0,1,0,0,0|1,1,0]=3 321 B16R2.2257 c1ccc(cc1)SCCN[C@H]2CCOC2 34a_100015188467_100000246102 [0,0,1,0,0,0|1,1,0]=3 322 B16R2.2257 c1ccc(cc1)SCCOC2CCCC2 34a_100000210269_100000246102 [0,0,1,0,0,0|3,0,0]=4 323 B16R2.2257 c1ccc(cc1)SCCOC2CCCC2 7a_100000210269_100000246102 [0,0,1,0,0,0|3,0,0]=4 324 B16R2.2257 c1ccc(cc1)SCCOC2CCCC2 7a_100000230494_100000179811 [0,0,1,0,0,0|3,0,0]=4 325 B16R2.2257 c1ccc(cc1)SCCOC2CCOC2 7a_100000230494_100000731011 [0,0,1,0,0,0|2,1,0]=4 326 B16R2.2257 c1ccc(cc1)SCCOC2CCSC2 7a_100011232664_100000246102 [0,0,1,0,0,0|2,0,0]=3 327 B16R2.2257 c1ccc(cc1)SCCO[C@H]2CCOC2 34a_100000717292_100000246102 [0,0,1,0,0,0|2,1,0]=4 328 B16R2.2257 c1ccc(cc1)SCCSC2CCCC2 62a_100000246102_100000179811 [0,0,1,0,0,0|3,0,0]=4 329 B16R2.2257 c1ccc(cc1)SCCSC2CCCC2 62a_100011217020_100000246102 [0,0,1,0,0,0|3,0,0]=4 330 B16R2.2257 c1ccc(cc1)SCCSC2CCOC2 62a_100000246102_100000690089 [0,0,1,0,0,0|2,1,0]=4 331 B16R2.2257 c1ccc(nc1)CCCNC2CCCC2 270004a_100000689020_100000210133 [0,0,1,0,0,0|2,0,0]=3 332 B16R2.2257 c1ccc(nc1)CCCNC2CCOC2 270004a_100000689020_100000752484 [0,0,1,0,0,0|1,1,0]=3 333 B16R2.2257 c1ccc(nc1)CCCNC2CCSC2 270004a_100000689020_100000212027 [0,0,1,0,0,0|1,0,0]=2 334 B16R2.2257 c1ccc(nc1)CCCOC2CCCC2 34a_100011215068_100000179811 [0,0,1,0,0,0|3,0,0]=4 335 B16R2.2257 c1ccc(nc1)CCCOC2CCOC2 34a_100011215068_100000690089 [0,0,1,0,0,0|2,1,0]=4 336 B16R2.2257 c1ccc(nc1)OCCNC2CCCC2 2230a_106741647558_100000179811 [0,0,1,0,0,0|3,0,0]=4 337 B16R2.2257 c1ccc(nc1)OCCNC2CCCC2 270004a_106741647558_100000210133 [0,0,1,0,0,0|3,0,0]=4 338 B16R2.2257 c1ccc(nc1)OCCNC2CCOC2 2230a_106741647558_100000731011 [0,0,1,0,0,0|2,1,0]=4 339 B16R2.2257 c1ccc(nc1)OCCNC2CCOC2 270004a_106741647558_100000752484 [0,0,1,0,0,0|2,1,0]=4 340 B16R2.2257 c1ccc(nc1)OCCNC2CCSC2 270004a_106741647558_100000212027 [0,0,1,0,0,0|2,0,0]=3 341 B16R2.2257 c1cncc(c1)CCCNC2CCCC2 2230a_100011532358_100000179811 [0,0,1,0,0,0|2,0,0]=3 342 B16R2.2257 c1cncc(c1)CCCNC2CCCC2 270004a_100011532358_100000210133 [0,0,1,0,0,0|2,0,0]=3 343 B16R2.2257 c1cncc(c1)CCCNC2CCCC2 34a_100011532358_100000179811 [0,0,1,0,0,0|2,0,0]=3 344 B16R2.2257 c1cncc(c1)CCCNC2CCOC2 2230a_100011532358_100000731011 [0,0,1,0,0,0|1,1,0]=3 345 B16R2.2257 c1cncc(c1)CCCNC2CCOC2 270004a_100011532358_100000752484 [0,0,1,0,0,0|1,1,0]=3 346 B16R2.2257 c1cncc(c1)CCCNC2CCOC2 34a_100011532358_100000690089 [0,0,1,0,0,0|1,1,0]=3 347 B16R2.2257 c1cncc(c1)CCCNC2CCSC2 270004a_100011532358_100000212027 [0,0,1,0,0,0|1,0,0]=2 348 B16R2.2257 c1cncc(c1)CCCOC2CCCC2 34a_100000211284_100000179811 [0,0,1,0,0,0|3,0,0]=4 349 B16R2.2257 c1cncc(c1)CCCOC2CCOC2 34a_100000211284_100000690089 [0,0,1,0,0,0|2,1,0]=4 350 B16R2.2257 c1cncc(c1)OCCNC2CCCC2 2230a_100000754688_100000179811 [0,0,1,0,0,0|3,0,0]=4 351 B16R2.2257 c1cncc(c1)OCCNC2CCCC2 270004a_100000754688_100000210133 [0,0,1,0,0,0|3,0,0]=4 352 B16R2.2257 c1cncc(c1)OCCNC2CCOC2 2230a_100000754688_100000731011 [0,0,1,0,0,0|2,1,0]=4 353 B16R2.2257 c1cncc(c1)OCCNC2CCOC2 270004a_100000754688_100000752484 [0,0,1,0,0,0|2,1,0]=4 354 B16R2.2257 c1cncc(c1)OCCNC2CCSC2 270004a_100000754688_100000212027 [0,0,1,0,0,0|2,0,0]=3 355 B16R2.5767 CC(=NNC1CCCC1)c2ccccc2 4a_100000737850_100000185851 [0,0,1,0,0,0|2,0,1]=4 356 B16R2.5767 CC(=NNC1CCOC1)c2ccccc2 4a_100000690549_100000185851 [0,0,1,0,0,0|1,1,1]=4 357 B16R2.5767 CC(=NNC1CCSC1)c2ccccc2 4a_200000731317_100000185851 [0,0,1,0,0,0|1,0,1]=3 358 B16R2.5767 CC(=NNC1CCSC1)c2ccccn2 4a_200000731317_100000210467 [0,0,1,0,0,0|2,0,1]=4 359 B16R2.5767 CC(=NNC1CCSC1)c2cccnc2 4a_200000731317_100000210468 [0,0,1,0,0,0|2,0,1]=4 360 B16R2.5767 CC(=NNC1CCSC1)c2ccncc2 4a_200000731317_100000185792 [0,0,1,0,0,0|2,0,1]=4 361 B16R2.5767 CC(CCN1CCCC1)c2ccccc2 270004a_100000188435_100000189432 [0,0,1,0,0,0|3,0,0]=4 362 B16R2.5767 CC(CCN1CCSC1)c2ccccc2 270004a_100011215254_100000189432 [0,0,1,0,0,0|2,0,0]=3 363 B16R2.5767 CC(CNC1CC=CC1)c2ccccc2 2230a_100015188752_100000756946 [0,0,1,0,0,0|1,0,1]=3 364 B16R2.5767 CC(CNC1CC=CC1)c2ccccc2 270004a_100015188752_100000212034 [0,0,1,0,0,0|1,0,1]=3 365 B16R2.5767 CC(CNC1CCCC1)c2ccccc2 2230a_100000211070_100000756946 [0,0,1,0,0,0|1,0,0]=2 366 B16R2.5767 CC(CNC1CCCC1)c2ccccc2 2230a_100000701038_100000179811 [0,0,1,0,0,0|1,0,0]=2 367 B16R2.5767 CC(CNC1CCCC1)c2ccccc2 270004a_100000211070_100000212034 [0,0,1,0,0,0|1,0,0]=2 368 B16R2.5767 CC(CNC1CCCC1)c2ccccc2 270004a_100000701038_100000210133 [0,0,1,0,0,0|1,0,0]=2 369 B16R2.5767 CC(CNC1CCCC1)c2ccccc2 34a_100000211070_100000756946 [0,0,1,0,0,0|1,0,0]=2 370 B16R2.5767 CC(CNC1CCCC1)c2ccccc2 34a_100000701038_100000179811 [0,0,1,0,0,0|1,0,0]=2 371 B16R2.5767 CC(CNC1CCOC1)c2ccccc2 2230a_100000701038_100000731011 [0,0,1,0,0,0|0,1,0]=2 372 B16R2.5767 CC(CNC1CCOC1)c2ccccc2 270004a_100000701038_100000752484 [0,0,1,0,0,0|0,1,0]=2 373 B16R2.5767 CC(CNC1CCOC1)c2ccccc2 34a_100000701038_100000690089 [0,0,1,0,0,0|0,1,0]=2 374 B16R2.5767 CC(CNC1CCSC1)c2ccccc2 270004a_100000701038_100000212027 [0,0,1,0,0,0|0,0,0]=1 375 B16R2.5767 CC(CN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000756946 [0,0,1,0,0,0|0,1,0]=2 376 B16R2.5767 CC(CN[C@@H]1CCOC1)c2ccccc2 270004a_200015188469_100000212034 [0,0,1,0,0,0|0,1,0]=2 377 B16R2.5767 CC(CN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000756946 [0,0,1,0,0,0|0,1,0]=2 378 B16R2.5767 CC(CN[C@H]1CCOC1)c2ccccc2 270004a_100015188467_100000212034 [0,0,1,0,0,0|0,1,0]=2 379 B16R2.5767 CC(CN[C@H]1CCOC1)c2ccccc2 34a_100015188467_100000756946 [0,0,1,0,0,0|0,1,0]=2 380 B16R2.5767 CC(COC1CCCC1)c2ccccc2 34a_100000210269_100000756946 [0,0,1,0,0,0|2,0,0]=3 381 B16R2.5767 CC(COC1CCCC1)c2ccccc2 34a_100011215166_100000179811 [0,0,1,0,0,0|2,0,0]=3 382 B16R2.5767 CC(COC1CCCC1)c2ccccc2 7a_100000210269_100000756946 [0,0,1,0,0,0|2,0,0]=3 383 B16R2.5767 CC(COC1CCCC1)c2ccccc2 7a_100011215166_100000179811 [0,0,1,0,0,0|2,0,0]=3 384 B16R2.5767 CC(COC1CCCO1)c2ccccc2 34a_100000085407_100000756946 [0,0,1,0,0,0|3,0,0]=4 385 B16R2.5767 CC(COC1CCOC1)c2ccccc2 34a_100011215166_100000690089 [0,0,1,0,0,0|1,1,0]=3 386 B16R2.5767 CC(COC1CCOC1)c2ccccc2 7a_100011215166_100000731011 [0,0,1,0,0,0|1,1,0]=3 387 B16R2.5767 CC(COC1CCSC1)c2ccccc2 7a_100011232664_100000756946 [0,0,1,0,0,0|1,0,0]=2 388 B16R2.5767 CC(CO[C@H]1CCOC1)c2ccccc2 34a_100000717292_100000756946 [0,0,1,0,0,0|1,1,0]=3 389 B16R2.5767 CC(CSC1CCCC1)c2ccccc2 62a_100000756946_100000179811 [0,0,1,0,0,0|2,0,0]=3 390 B16R2.5767 CC(CSC1CCCC1)c2ccccc2 62a_100011217020_100000756946 [0,0,1,0,0,0|2,0,0]=3 391 B16R2.5767 CC(CSC1CCOC1)c2ccccc2 62a_100000756946_100000690089 [0,0,1,0,0,0|1,1,0]=3 392 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 2230a_100000737975_100000230085 [0,0,1,0,0,0|3,0,0]=4 393 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 269862a_100000737975_100000185851 [0,0,1,0,0,0|3,0,0]=4 394 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 34a_100000737975_100000211855 [0,0,1,0,0,0|3,0,0]=4 395 B16R2.5767 CC(NCC1CCOC1)c2ccccc2 2230a_100000737293_100000230085 [0,0,1,0,0,0|2,1,0]=4 396 B16R2.5767 CC(NCC1CCOC1)c2ccccc2 269862a_100000737293_100000185851 [0,0,1,0,0,0|2,1,0]=4 397 B16R2.5767 CC(NCC1CCOC1)c2ccccc2 34a_100000737293_100000211855 [0,0,1,0,0,0|2,1,0]=4 398 B16R2.5767 CC(OCC1CCCC1)c2ccccc2 34a_100000742336_100000211855 [0,0,1,0,0,0|3,0,0]=4 399 B16R2.5767 CC(OCC1CCCC1)c2ccccc2 7a_100000742336_100000230085 [0,0,1,0,0,0|3,0,0]=4 400 B16R2.5767 CC(OCC1CCNC1)c2ccccc2 34a_100000748654_100000211855 [0,0,1,0,0,0|3,0,0]=4 401 B16R2.5767 CC(OCC1CCOC1)c2ccccc2 34a_100000740260_100000211855 [0,0,1,0,0,0|2,1,0]=4 402 B16R2.5767 CC(SCC1CCCC1)c2ccccc2 62a_100000230085_100000740388 [0,0,1,0,0,0|3,0,0]=4 403 B16R2.5767 CC(SCC1CCCC1)c2ccccc2 62a_100000740388_100000230085 [0,0,1,0,0,0|3,0,0]=4 404 B16R2.5767 CC(SCC1CCOC1)c2ccccc2 62a_100000230085_100000702531 [0,0,1,0,0,0|2,1,0]=4 405 B16R2.5767 CC(SCC1CCOC1)c2ccccc2 62a_100000702531_100000230085 [0,0,1,0,0,0|2,1,0]=4 406 B16R2.5767 CN(CCC1CCCC1)c2ccccc2 2230a_100000210012_100000760354 [0,0,1,0,0,0|3,0,0]=4 407 B16R2.5767 CN(CCC1CCCC1)c2ccccc2 269982a_100000210012_100000760354 [0,0,1,0,0,0|3,0,0]=4 408 B16R2.5767 CN(CCC1CCCC1)c2ccccc2 34a_100000210012_100000760354 [0,0,1,0,0,0|3,0,0]=4 409 B16R2.5767 C[C@@H](NCC1CCCC1)c2ccccc2 2230a_100000751104_100000740388 [0,0,1,0,0,0|3,0,0]=4 410 B16R2.5767 C[C@@H](NCC1CCCC1)c2ccccc2 269862a_100000751104_100000746403 [0,0,1,0,0,0|3,0,0]=4 411 B16R2.5767 C[C@@H](NCC1CCOC1)c2ccccc2 2230a_100000751104_100000702531 [0,0,1,0,0,0|2,1,0]=4 412 B16R2.5767 C[C@@H](OCC1CCCC1)c2ccccc2 34a_100000761318_100000740388 [0,0,1,0,0,0|3,0,0]=4 413 B16R2.5767 C[C@@H](OCC1CCCC1)c2ccccc2 7a_100000761318_100000740388 [0,0,1,0,0,0|3,0,0]=4 414 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 34a_100000761318_100011261433 [0,0,1,0,0,0|2,1,0]=4 415 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 7a_100000761318_100000702531 [0,0,1,0,0,0|2,1,0]=4 416 B16R2.5767 N[C@H](COC1CCCC1)c2ccccc2 34a_100000751927_100000179811 [0,0,1,0,0,0|3,0,0]=4 417 B16R2.5767 N[C@H](COC1CCOC1)c2ccccc2 34a_100000751927_100000690089 [0,0,1,0,0,0|2,1,0]=4 418 B16R2.5767 O=C(COC1CCSC1)c2ccccc2 7a_100011232664_100000211460 [0,0,1,0,0,0|2,0,1]=4 419 B16R2.5767 O=C(NNC1CCSC1)c2ccccc2 22a_200000731317_100000185807 [0,0,1,0,0,0|2,0,1]=4 420 B16R2.5767 OC(CNC1CC=CC1)c2ccccc2 2230a_100015188752_100000185958 [0,0,1,0,0,0|2,0,1]=4 421 B16R2.5767 OC(CNC1CCCC1)c2ccccc2 2230a_100000210709_100000179811 [0,0,1,0,0,0|2,0,0]=3 422 B16R2.5767 OC(CNC1CCCC1)c2ccccc2 2230a_100000211070_100000185958 [0,0,1,0,0,0|2,0,0]=3 423 B16R2.5767 OC(CNC1CCCC1)c2ccccc2 270004a_100000210709_100000210133 [0,0,1,0,0,0|2,0,0]=3 424 B16R2.5767 OC(CNC1CCCC1)c2ccccc2 34a_100000211070_100000185958 [0,0,1,0,0,0|2,0,0]=3 425 B16R2.5767 OC(CNC1CCCC1)c2ccccn2 2230a_100000691469_100000179811 [0,0,1,0,0,0|3,0,0]=4 426 B16R2.5767 OC(CNC1CCCC1)c2ccccn2 270004a_100000691469_100000210133 [0,0,1,0,0,0|3,0,0]=4 427 B16R2.5767 OC(CNC1CCCC1)c2cccnc2 2230a_100020605170_100000179811 [0,0,1,0,0,0|3,0,0]=4 428 B16R2.5767 OC(CNC1CCCC1)c2cccnc2 270004a_100020605170_100000210133 [0,0,1,0,0,0|3,0,0]=4 429 B16R2.5767 OC(CNC1CCOC1)c2ccccc2 2230a_100000210709_100000731011 [0,0,1,0,0,0|1,1,0]=3 430 B16R2.5767 OC(CNC1CCOC1)c2ccccc2 270004a_100000210709_100000752484 [0,0,1,0,0,0|1,1,0]=3 431 B16R2.5767 OC(CNC1CCOC1)c2ccccn2 2230a_100000691469_100000731011 [0,0,1,0,0,0|2,1,0]=4 432 B16R2.5767 OC(CNC1CCOC1)c2ccccn2 270004a_100000691469_100000752484 [0,0,1,0,0,0|2,1,0]=4 433 B16R2.5767 OC(CNC1CCOC1)c2cccnc2 2230a_100020605170_100000731011 [0,0,1,0,0,0|2,1,0]=4 434 B16R2.5767 OC(CNC1CCOC1)c2cccnc2 270004a_100020605170_100000752484 [0,0,1,0,0,0|2,1,0]=4 435 B16R2.5767 OC(CNC1CCSC1)c2ccccc2 270004a_100000210709_100000212027 [0,0,1,0,0,0|1,0,0]=2 436 B16R2.5767 OC(CNC1CCSC1)c2ccccn2 270004a_100000691469_100000212027 [0,0,1,0,0,0|2,0,0]=3 437 B16R2.5767 OC(CNC1CCSC1)c2cccnc2 270004a_100020605170_100000212027 [0,0,1,0,0,0|2,0,0]=3 438 B16R2.5767 OC(CN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000185958 [0,0,1,0,0,0|1,1,0]=3 439 B16R2.5767 OC(CN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000185958 [0,0,1,0,0,0|1,1,0]=3 440 B16R2.5767 OC(CN[C@H]1CCOC1)c2ccccc2 34a_100015188467_100000185958 [0,0,1,0,0,0|1,1,0]=3 441 B16R2.5767 OC(COC1CCCC1)c2ccccc2 34a_100000210269_100000185958 [0,0,1,0,0,0|3,0,0]=4 442 B16R2.5767 OC(COC1CCCC1)c2ccccc2 7a_100000210269_100000185958 [0,0,1,0,0,0|3,0,0]=4 443 B16R2.5767 OC(COC1CCSC1)c2ccccc2 7a_100011232664_100000185958 [0,0,1,0,0,0|2,0,0]=3 444 B16R2.5767 OC(CO[C@H]1CCOC1)c2ccccc2 34a_100000717292_100000185958 [0,0,1,0,0,0|2,1,0]=4 445 B16R2.5767 OC(CSC1CCCC1)c2ccccc2 62a_100000185958_100000179811 [0,0,1,0,0,0|3,0,0]=4 446 B16R2.5767 OC(CSC1CCCC1)c2ccccc2 62a_100011217020_100000185958 [0,0,1,0,0,0|3,0,0]=4 447 B16R2.5767 OC(CSC1CCOC1)c2ccccc2 62a_100000185958_100000690089 [0,0,1,0,0,0|2,1,0]=4 448 B16R2.5767 O[C@H](CCN1CCSC1)c2ccccc2 2230a_100011215254_100000729684 [0,0,1,0,0,0|3,0,0]=4 449 B16R2.5767 O[C@H](CCN1CCSC1)c2ccccc2 269982a_100011215254_100000729684 [0,0,1,0,0,0|3,0,0]=4 450 B16R2.5767 O[C@H](CNC1CC=CC1)c2ccccc2 2230a_100015188752_100011933945 [0,0,1,0,0,0|2,0,1]=4 451 B16R2.5767 O[C@H](CNC1CCCC1)c2ccccc2 2230a_100000211070_100011933945 [0,0,1,0,0,0|2,0,0]=3 452 B16R2.5767 O[C@H](CNC1CCCC1)c2ccccc2 34a_100000211070_100011933945 [0,0,1,0,0,0|2,0,0]=3 453 B16R2.5767 O[C@H](CN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100011933945 [0,0,1,0,0,0|1,1,0]=3 454 B16R2.5767 O[C@H](CN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100011933945 [0,0,1,0,0,0|1,1,0]=3 455 B16R2.5767 O[C@H](CN[C@H]1CCOC1)c2ccccc2 34a_100015188467_100011933945 [0,0,1,0,0,0|1,1,0]=3 456 B16R2.5767 O[C@H](COC1CCCC1)c2ccccc2 34a_100000210269_100011933945 [0,0,1,0,0,0|3,0,0]=4 457 B16R2.5767 O[C@H](COC1CCCC1)c2ccccc2 7a_100000210269_100011933945 [0,0,1,0,0,0|3,0,0]=4 458 B16R2.5767 O[C@H](COC1CCSC1)c2ccccc2 7a_100011232664_100011933945 [0,0,1,0,0,0|2,0,0]=3 459 B16R2.5767 O[C@H](CO[C@H]1CCOC1)c2ccccc2 34a_100000717292_100011933945 [0,0,1,0,0,0|2,1,0]=4 460 B16R2.5767 O[C@H](CSC1CCCC1)c2ccccc2 62a_100011217020_100011933945 [0,0,1,0,0,0|3,0,0]=4 461 B16R2.5767 O[C@H](CSC1CCCC1)c2ccccc2 62a_100011933945_100000179811 [0,0,1,0,0,0|3,0,0]=4 462 B16R2.5767 O[C@H](CSC1CCOC1)c2ccccc2 62a_100011933945_100000690089 [0,0,1,0,0,0|2,1,0]=4 463 B16R3.6002 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCC3 34a_100020588832_100000749161 [0,0,0,0,1,0|0,0,0]=1 464 B16R3.6002 c1ccc(cc1)[C@H]2C[C@@H]2NC3COC3 34a_100020588832_100009818527 [0,0,0,0,1,0|0,1,0]=2 465 B18R3.2122 C1=CC(CCC1)N[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_100000751183 [0,0,0,0,0,1|1,0,1]=3 466 B18R3.2122 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCCCC3 34a_100020588832_100000210327 [0,0,0,0,0,1|1,0,0]=2 467 B18R3.2122 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCCOC3 34a_100020588832_100000693364 [0,0,0,0,0,1|0,1,0]=2 468 B18R3.2122 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCSCC3 34a_100020588832_100000069128 [0,0,0,0,0,1|0,0,0]=1 469 B18R3.12783 c1ccc(cc1)C[C@H]2CN2CC3CCCC3 2230a_100016998360_100000740388 [0,0,0,0,0,1|3,0,0]=4 470 B18R3.12783 c1ccc(cc1)C[C@H]2CN2CC3CCCC3 269982a_100016998360_100000740388 [0,0,0,0,0,1|3,0,0]=4 471 B18R3.12783 c1ccc(cc1)C[C@H]2CN2CC3CCCC3 34a_100016998360_100000740388 [0,0,0,0,0,1|3,0,0]=4 472 B18R3.12783 c1ccc(cc1)C[C@H]2CN2CC3CCOC3 2230a_100016998360_100000702531 [0,0,0,0,0,1|2,1,0]=4 473 B18R3.12783 c1ccc(cc1)C[C@H]2CN2CC3CCOC3 269982a_100016998360_100000702531 [0,0,0,0,0,1|2,1,0]=4 474 B18R3.12783 c1ccc(cc1)C[C@H]2CN2CC3CCOC3 34a_100016998360_100011261433 [0,0,0,0,0,1|2,1,0]=4 475 B18R3.12797 c1ccc(cc1)C2CCN2CC3CCCC3 2230a_100000739605_100000740388 [0,0,0,0,0,1|3,0,0]=4 476 B18R3.12797 c1ccc(cc1)C2CCN2CC3CCCC3 269982a_100000739605_100000740388 [0,0,0,0,0,1|3,0,0]=4 477 B18R3.12797 c1ccc(cc1)C2CCN2CC3CCOC3 2230a_100000739605_100000702531 [0,0,0,0,0,1|2,1,0]=4 478 B18R3.12797 c1ccc(cc1)C2CCN2CC3CCOC3 269982a_100000739605_100000702531 [0,0,0,0,0,1|2,1,0]=4 479 B18R3.12808 C1=CCC(C1)NC2CC(C2)c3ccccc3 270004a_100015188752_100000741317 [0,0,0,0,0,1|1,0,1]=3 480 B18R3.12808 c1ccc(cc1)C2CC(C2)NC3CCCC3 270004a_100000211070_100000741317 [0,0,0,0,0,1|1,0,0]=2 481 B18R3.12808 c1ccc(cc1)C2CC(C2)N[C@@H]3CCOC3 270004a_200015188469_100000741317 [0,0,0,0,0,1|0,1,0]=2 482 B18R3.12808 c1ccc(cc1)C2CC(C2)N[C@H]3CCOC3 270004a_100015188467_100000741317 [0,0,0,0,0,1|0,1,0]=2 483 B18R3.12808 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCCC3 2230a_102125402554_100000179811 [0,0,0,0,0,1|1,0,0]=2 484 B18R3.12808 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCCC3 270004a_102125402554_100000210133 [0,0,0,0,0,1|1,0,0]=2 485 B18R3.12808 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCOC3 2230a_102125402554_100000731011 [0,0,0,0,0,1|0,1,0]=2 486 B18R3.12808 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCOC3 270004a_102125402554_100000752484 [0,0,0,0,0,1|0,1,0]=2 487 B18R3.12808 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCSC3 270004a_102125402554_100000212027 [0,0,0,0,0,1|0,0,0]=1 488 B18R3.12844 c1ccc(cc1)C2CC2COC3CCCC3 34a_100011997005_100000179811 [0,0,0,0,0,1|2,0,0]=3 489 B18R3.12844 c1ccc(cc1)C2CC2COC3CCCC3 7a_100011997005_100000179811 [0,0,0,0,0,1|2,0,0]=3 490 B18R3.12844 c1ccc(cc1)C2CC2COC3CCOC3 34a_100011997005_100000690089 [0,0,0,0,0,1|1,1,0]=3 491 B18R3.12844 c1ccc(cc1)C2CC2COC3CCOC3 7a_100011997005_100000731011 [0,0,0,0,0,1|1,1,0]=3 492 B18R3.12844 c1ccc(cc1)C2OC2COC3CCCC3 34a_100000032844_100000179811 [0,0,0,0,0,1|3,0,0]=4 493 B18R3.12844 c1ccc(cc1)C2OC2COC3CCCC3 7a_100000032844_100000179811 [0,0,0,0,0,1|3,0,0]=4 494 B18R3.12844 c1ccc(cc1)C2OC2COC3CCOC3 34a_100000032844_100000690089 [0,0,0,0,0,1|2,1,0]=4 495 B18R3.12844 c1ccc(cc1)C2OC2COC3CCOC3 7a_100000032844_100000731011 [0,0,0,0,0,1|2,1,0]=4 496 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCC3 2230a_100020588832_100000740388 [0,0,0,0,0,1|1,0,0]=2 497 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCC3 34a_100020588832_100000740388 [0,0,0,0,0,1|1,0,0]=2 498 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCO3 2230a_100020588832_100000203698 [0,0,0,0,0,1|2,0,0]=3 499 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCOC3 2230a_100020588832_100000702531 [0,0,0,0,0,1|0,1,0]=2 500 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCOC3 34a_100020588832_100011261433 [0,0,0,0,0,1|0,1,0]=2 501 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCC3OCCO3 2230a_100020588832_100000755774 [0,0,0,0,0,1|3,0,0]=4 502 B18R3.12844 c1ccc(cc1)[C@H]2C[C@@H]2NCC3OCCO3 34a_100020588832_100000755774 [0,0,0,0,0,1|3,0,0]=4 503 B15R2.1621 C#CC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000035995 [1,0,1,0,0,0|0,0,2]=4 504 B15R2.1621 CC(C#N)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000184139 [1,0,1,0,0,0|1,0,1]=4 505 B15R2.1621 CC(CO)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100012180447 [1,0,1,0,0,0|0,1,0]=3 506 B15R2.1621 CC(CO)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100012180447 [1,0,1,0,0,0|0,1,0]=3 507 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000210414 [1,0,1,0,0,0|0,1,1]=4 508 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000210414 [1,0,1,0,0,0|0,1,1]=4 509 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000210414 [1,0,1,0,0,0|0,1,1]=4 510 B15R2.1621 CCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000210414 [1,0,1,0,0,0|0,1,1]=4 511 B15R2.1621 CCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000758301 [1,0,1,0,0,0|0,0,0]=2 512 B15R2.1621 CCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011215416 [1,0,1,0,0,0|0,0,0]=2 513 B15R2.2196 C(=NNC1CCSC1)c2ccccc2 4a_200000731317_100015611070 [1,0,1,0,0,0|1,0,1]=4 514 B15R2.2196 C1=CCC(C1)NCCc2ccccc2 2230a_100015188752_100000765856 [1,0,1,0,0,0|1,0,1]=4 515 B15R2.2196 c1cc(ccn1)CCNC2CCCC2 2230a_100000211070_100000723409 [1,0,1,0,0,0|2,0,0]=4 516 B15R2.2196 c1cc(ccn1)CCNC2CCCC2 270004a_100000742849_100000210133 [1,0,1,0,0,0|2,0,0]=4 517 B15R2.2196 c1cc(ccn1)CCNC2CCOC2 270004a_100000742849_100000752484 [1,0,1,0,0,0|1,1,0]=4 518 B15R2.2196 c1cc(ccn1)CCNC2CCSC2 270004a_100000742849_100000212027 [1,0,1,0,0,0|1,0,0]=3 519 B15R2.2196 c1cc(ccn1)CCN[C@@H]2CCOC2 2230a_200015188469_100000723409 [1,0,1,0,0,0|1,1,0]=4 520 B15R2.2196 c1cc(ccn1)CCN[C@H]2CCOC2 2230a_100015188467_100000723409 [1,0,1,0,0,0|1,1,0]=4 521 B15R2.2196 c1cc(ccn1)CCOC2CCSC2 7a_100011232664_100000723409 [1,0,1,0,0,0|2,0,0]=4 522 B15R2.2196 c1ccc(cc1)CCCN2CCSC2 2230a_100011215254_100000211621 [1,0,1,0,0,0|2,0,0]=4 523 B15R2.2196 c1ccc(cc1)CCCN2CCSC2 269982a_100011215254_100000211621 [1,0,1,0,0,0|2,0,0]=4 524 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 2230a_100000106460_100000179811 [1,0,1,0,0,0|1,0,0]=3 525 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 2230a_100000211070_100000765856 [1,0,1,0,0,0|1,0,0]=3 526 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 270004a_100000106460_100000210133 [1,0,1,0,0,0|1,0,0]=3 527 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 34a_100000106460_100000179811 [1,0,1,0,0,0|1,0,0]=3 528 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 34a_100000211070_100000765856 [1,0,1,0,0,0|1,0,0]=3 529 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 2230a_100000106460_100000731011 [1,0,1,0,0,0|0,1,0]=3 530 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 270004a_100000106460_100000752484 [1,0,1,0,0,0|0,1,0]=3 531 B15R2.2196 c1ccc(cc1)CCNC2CCOC2 34a_100000106460_100000690089 [1,0,1,0,0,0|0,1,0]=3 532 B15R2.2196 c1ccc(cc1)CCNC2CCSC2 270004a_100000106460_100000212027 [1,0,1,0,0,0|0,0,0]=2 533 B15R2.2196 c1ccc(cc1)CCN[C@@H]2CCOC2 2230a_200015188469_100000765856 [1,0,1,0,0,0|0,1,0]=3 534 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 2230a_100015188467_100000765856 [1,0,1,0,0,0|0,1,0]=3 535 B15R2.2196 c1ccc(cc1)CCN[C@H]2CCOC2 34a_100015188467_100000765856 [1,0,1,0,0,0|0,1,0]=3 536 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 34a_100000210268_100000179811 [1,0,1,0,0,0|2,0,0]=4 537 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 34a_100000210269_100000765856 [1,0,1,0,0,0|2,0,0]=4 538 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 7a_100000210268_100000179811 [1,0,1,0,0,0|2,0,0]=4 539 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 7a_100000210269_100000765856 [1,0,1,0,0,0|2,0,0]=4 540 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 34a_100000210268_100000690089 [1,0,1,0,0,0|1,1,0]=4 541 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 7a_100000210268_100000731011 [1,0,1,0,0,0|1,1,0]=4 542 B15R2.2196 c1ccc(cc1)CCOC2CCSC2 7a_100011232664_100000765856 [1,0,1,0,0,0|1,0,0]=3 543 B15R2.2196 c1ccc(cc1)CCO[C@H]2CCOC2 34a_100000717292_100000765856 [1,0,1,0,0,0|1,1,0]=4 544 B15R2.2196 c1ccc(cc1)CCSC2CCCC2 62a_100000765856_100000179811 [1,0,1,0,0,0|2,0,0]=4 545 B15R2.2196 c1ccc(cc1)CCSC2CCCC2 62a_100011217020_100011218657 [1,0,1,0,0,0|2,0,0]=4 546 B15R2.2196 c1ccc(cc1)CCSC2CCOC2 62a_100000765856_100000690089 [1,0,1,0,0,0|1,1,0]=4 547 B15R2.2196 c1ccc(cc1)SCNC2CCCC2 2230a_100000211070_100011218342 [1,0,1,0,0,0|2,0,0]=4 548 B15R2.2196 c1ccc(cc1)SCN[C@@H]2CCOC2 2230a_200015188469_100011218342 [1,0,1,0,0,0|1,1,0]=4 549 B15R2.2196 c1ccc(cc1)SCN[C@H]2CCOC2 2230a_100015188467_100011218342 [1,0,1,0,0,0|1,1,0]=4 550 B15R2.2196 c1ccc(nc1)CCNC2CCCC2 2230a_100000211070_100015183660 [1,0,1,0,0,0|2,0,0]=4 551 B15R2.2196 c1ccc(nc1)CCNC2CCCC2 270004a_100000211156_100000210133 [1,0,1,0,0,0|2,0,0]=4 552 B15R2.2196 c1ccc(nc1)CCNC2CCOC2 270004a_100000211156_100000752484 [1,0,1,0,0,0|1,1,0]=4 553 B15R2.2196 c1ccc(nc1)CCNC2CCSC2 270004a_100000211156_100000212027 [1,0,1,0,0,0|1,0,0]=3 554 B15R2.2196 c1ccc(nc1)CCN[C@@H]2CCOC2 2230a_200015188469_100015183660 [1,0,1,0,0,0|1,1,0]=4 555 B15R2.2196 c1ccc(nc1)CCN[C@H]2CCOC2 2230a_100015188467_100015183660 [1,0,1,0,0,0|1,1,0]=4 556 B15R2.2196 c1ccc(nc1)CCOC2CCSC2 7a_100011232664_100015183660 [1,0,1,0,0,0|2,0,0]=4 557 B15R2.2196 c1cnc(cn1)CCNC2CCSC2 270004a_100000723456_100000212027 [1,0,1,0,0,0|2,0,0]=4 558 B15R2.2196 c1cncc(c1)CCNC2CCCC2 2230a_100000211070_200011713674 [1,0,1,0,0,0|2,0,0]=4 559 B15R2.2196 c1cncc(c1)CCNC2CCCC2 2230a_100000736294_100000179811 [1,0,1,0,0,0|2,0,0]=4 560 B15R2.2196 c1cncc(c1)CCNC2CCCC2 270004a_100000736294_100000210133 [1,0,1,0,0,0|2,0,0]=4 561 B15R2.2196 c1cncc(c1)CCNC2CCOC2 2230a_100000736294_100000731011 [1,0,1,0,0,0|1,1,0]=4 562 B15R2.2196 c1cncc(c1)CCNC2CCOC2 270004a_100000736294_100000752484 [1,0,1,0,0,0|1,1,0]=4 563 B15R2.2196 c1cncc(c1)CCNC2CCSC2 270004a_100000736294_100000212027 [1,0,1,0,0,0|1,0,0]=3 564 B15R2.2196 c1cncc(c1)CCN[C@@H]2CCOC2 2230a_200015188469_200011713674 [1,0,1,0,0,0|1,1,0]=4 565 B15R2.2196 c1cncc(c1)CCN[C@H]2CCOC2 2230a_100015188467_200011713674 [1,0,1,0,0,0|1,1,0]=4 566 B15R2.2196 c1cncc(c1)CCOC2CCSC2 7a_100011232664_200011713674 [1,0,1,0,0,0|2,0,0]=4 567 B15R2.1262 C#CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000688953 [1,0,1,0,0,0|0,0,2]=4 568 B15R2.1262 C#CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000688953 [1,0,1,0,0,0|0,0,2]=4 569 B15R2.1262 C/C=C/CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100102629194 [1,0,1,0,0,0|0,0,2]=4 570 B15R2.1262 C=CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000754431 [1,0,1,0,0,0|0,0,2]=4 571 B15R2.1262 C=CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000754431 [1,0,1,0,0,0|0,0,2]=4 572 B15R2.1262 CC#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000748600 [1,0,1,0,0,0|0,0,2]=4 573 B15R2.1262 CC#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000748600 [1,0,1,0,0,0|0,0,2]=4 574 B15R2.1262 CC=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000070051 [1,0,1,0,0,0|0,0,2]=4 575 B15R2.1262 CC=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000070051 [1,0,1,0,0,0|0,0,2]=4 576 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210211 [1,0,1,0,0,0|0,0,0]=2 577 B15R2.1262 CCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210210 [1,0,1,0,0,0|0,0,0]=2 578 B15R2.1262 CCCOCC1CC1c2ccccc2 34a_100011997005_100000210303 [1,0,1,0,0,0|2,0,0]=4 579 B15R2.1262 CCCOCC1CC1c2ccccc2 7a_100011997005_100000210303 [1,0,1,0,0,0|2,0,0]=4 580 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011201679 [1,0,1,0,0,0|0,1,0]=3 581 B15R2.1262 COCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011201679 [1,0,1,0,0,0|0,1,0]=3 582 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000751147 [1,0,1,0,0,0|0,0,0]=2 583 B15R2.1262 CSCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000212216 [1,0,1,0,0,0|0,0,0]=2 584 B15R2.1262 CSCOCC1CC1c2ccccc2 34a_100011997005_100011218213 [1,0,1,0,0,0|1,0,0]=3 585 B15R2.1262 CSCOCC1OC1c2ccccc2 34a_100000032844_100011218213 [1,0,1,0,0,0|2,0,0]=4 586 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011934791 [1,0,1,0,0,0|1,0,0]=3 587 B15R2.1262 FCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011934791 [1,0,1,0,0,0|1,0,0]=3 588 B15R2.1262 N#CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215226 [1,0,1,0,0,0|1,0,1]=4 589 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000230001 [1,0,1,0,0,0|0,1,0]=3 590 B15R2.1262 OCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000230001 [1,0,1,0,0,0|0,1,0]=3 591 B17R2.7974 CCC(N[C@H]1C[C@@H]1c2ccccc2)C(=O)N 2230a_100020588832_100000750255 [0,1,1,0,0,0|0,1,1]=4 592 B17R2.7974 CCC(N[C@H]1C[C@@H]1c2ccccc2)C(=O)N 34a_100020588832_100000750255 [0,1,1,0,0,0|0,1,1]=4 593 B17R2.12174 CCC(CC)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210505 [0,1,1,0,0,0|2,0,0]=4 594 B17R2.347 CC(Cc1ccc(cc1)Br)NC2CC=CC2 270004a_100015188752_100000691760 [0,1,1,0,0,0|1,0,1]=4 595 B17R2.347 CC(Cc1ccc(cc1)Br)NC2CCCC2 270004a_100000211070_100000691760 [0,1,1,0,0,0|1,0,0]=3 596 B17R2.347 CC(Cc1ccc(cc1)Br)N[C@@H]2CCOC2 270004a_200015188469_100000691760 [0,1,1,0,0,0|0,1,0]=3 597 B17R2.347 CC(Cc1ccc(cc1)Br)N[C@H]2CCOC2 270004a_100015188467_100000691760 [0,1,1,0,0,0|0,1,0]=3 598 B17R2.347 CC(Cc1ccc(cc1)Cl)NC2CC=CC2 270004a_100015188752_100000747806 [0,1,1,0,0,0|1,0,1]=4 599 B17R2.347 CC(Cc1ccc(cc1)Cl)NC2CCCC2 270004a_100000211070_100000747806 [0,1,1,0,0,0|1,0,0]=3 600 B17R2.347 CC(Cc1ccc(cc1)Cl)N[C@@H]2CCOC2 270004a_200015188469_100000747806 [0,1,1,0,0,0|0,1,0]=3 601 B17R2.347 CC(Cc1ccc(cc1)Cl)N[C@H]2CCOC2 270004a_100015188467_100000747806 [0,1,1,0,0,0|0,1,0]=3 602 B17R2.347 CC(Cc1ccc(cc1)F)NC2CC=CC2 270004a_100015188752_100000745281 [0,1,1,0,0,0|1,0,1]=4 603 B17R2.347 CC(Cc1ccc(cc1)F)NC2CCCC2 270004a_100000211070_100000745281 [0,1,1,0,0,0|1,0,0]=3 604 B17R2.347 CC(Cc1ccc(cc1)F)N[C@@H]2CCOC2 270004a_200015188469_100000745281 [0,1,1,0,0,0|0,1,0]=3 605 B17R2.347 CC(Cc1ccc(cc1)F)N[C@H]2CCOC2 270004a_100015188467_100000745281 [0,1,1,0,0,0|0,1,0]=3 606 B17R2.347 CC(Cc1ccc(cc1)F)OC2CCCC2 34a_100011351027_100000179811 [0,1,1,0,0,0|2,0,0]=4 607 B17R2.347 CC(Cc1ccc(cc1)F)OC2CCCC2 7a_100011351027_100000179811 [0,1,1,0,0,0|2,0,0]=4 608 B17R2.347 CC(Cc1ccc(cc1)F)OC2CCOC2 34a_100011351027_100000690089 [0,1,1,0,0,0|1,1,0]=4 609 B17R2.347 CC(Cc1ccc(cc1)F)OC2CCOC2 7a_100011351027_100000731011 [0,1,1,0,0,0|1,1,0]=4 610 B17R2.347 CC(Cc1ccc(cc1)O)NC2CC=CC2 270004a_100015188752_100011218180 [0,1,1,0,0,0|1,0,1]=4 611 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCCC2 2230a_100102634573_100000179811 [0,1,1,0,0,0|1,0,0]=3 612 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCCC2 270004a_100000211070_100011218180 [0,1,1,0,0,0|1,0,0]=3 613 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCCC2 270004a_100102634573_100000210133 [0,1,1,0,0,0|1,0,0]=3 614 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCCC2 34a_100102634573_100000179811 [0,1,1,0,0,0|1,0,0]=3 615 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCOC2 2230a_100102634573_100000731011 [0,1,1,0,0,0|0,1,0]=3 616 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCOC2 270004a_100102634573_100000752484 [0,1,1,0,0,0|0,1,0]=3 617 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCOC2 34a_100102634573_100000690089 [0,1,1,0,0,0|0,1,0]=3 618 B17R2.347 CC(Cc1ccc(cc1)O)NC2CCSC2 270004a_100102634573_100000212027 [0,1,1,0,0,0|0,0,0]=2 619 B17R2.347 CC(Cc1ccc(cc1)O)N[C@@H]2CCOC2 270004a_200015188469_100011218180 [0,1,1,0,0,0|0,1,0]=3 620 B17R2.347 CC(Cc1ccc(cc1)O)N[C@H]2CCOC2 270004a_100015188467_100011218180 [0,1,1,0,0,0|0,1,0]=3 621 B17R2.347 Cc1ccc(cc1)CC(C)NC2CC=CC2 270004a_100015188752_100000751045 [0,1,1,0,0,0|1,0,1]=4 622 B17R2.347 Cc1ccc(cc1)CC(C)NC2CCCC2 270004a_100000211070_100000751045 [0,1,1,0,0,0|1,0,0]=3 623 B17R2.347 Cc1ccc(cc1)CC(C)N[C@@H]2CCOC2 270004a_200015188469_100000751045 [0,1,1,0,0,0|0,1,0]=3 624 B17R2.347 Cc1ccc(cc1)CC(C)N[C@H]2CCOC2 270004a_100015188467_100000751045 [0,1,1,0,0,0|0,1,0]=3 625 B17R2.3229 CC(C[n+]1ccccc1)NC2CCN(C2)C 270004a_100000744687_100000034229 [0,1,1,0,0,0|2,0,0]=4 626 B17R2.3229 CC(C[n+]1ccccc1)N[C@H]2CC[C@H](C2)O 270004a_100015195300_100000034229 [0,1,1,0,0,0|2,0,0]=4 627 B17R2.3229 CC(Cc1ccccc1)OC2CCC(=O)C2 34a_100012614533_200011218536 [0,1,1,0,0,0|2,0,0]=4 628 B17R2.3229 CC(Cc1ccccc1)OC2CCN(C2)C 7a_100000748627_200012183744 [0,1,1,0,0,0|2,0,0]=4 629 B17R2.3229 CC(Cc1ccccc1)SC2CCN(C2)C 62a_200011218536_200012183744 [0,1,1,0,0,0|2,0,0]=4 630 B17R2.3229 CC(Cc1ccccn1)NC2CCC(C2)O 270004a_100000238496_100012614533 [0,1,1,0,0,0|2,0,0]=4 631 B17R2.3229 CC(Cc1cccnc1)NC2CCC(C2)O 270004a_100011207255_100012614533 [0,1,1,0,0,0|2,0,0]=4 632 B17R2.3229 CC(Cc1cccnc1)NC2CCN(C2)C 270004a_100000744687_100015187140 [0,1,1,0,0,0|2,0,0]=4 633 B17R2.3229 CC(Cc1cccnc1)N[C@H]2CC[C@H](C2)O 270004a_100015195300_100015187140 [0,1,1,0,0,0|2,0,0]=4 634 B17R2.3229 CC(Cc1ccncc1)NC2CCN(C2)C 270004a_100000744687_100000238508 [0,1,1,0,0,0|2,0,0]=4 635 B17R2.3229 CC(Cc1ccncc1)N[C@H]2CC[C@H](C2)O 270004a_100015195300_100000238508 [0,1,1,0,0,0|2,0,0]=4 636 B17R2.3229 CC1CCC(C1)NC(C)Cc2ccccn2 270004a_100000238496_100011215218 [0,1,1,0,0,0|2,0,0]=4 637 B17R2.3229 CC1CCC(C1)NC(C)Cc2cccnc2 270004a_100011207255_100011215218 [0,1,1,0,0,0|2,0,0]=4 638 B17R2.3229 CC1CCC(C1)OC(C)Cc2ccccc2 34a_100000698185_200011218536 [0,1,1,0,0,0|2,0,0]=4 639 B17R2.3372 CC(Cc1cccc(c1)Br)NC2CC=CC2 270004a_100015188752_100000689217 [0,1,1,0,0,0|1,0,1]=4 640 B17R2.3372 CC(Cc1cccc(c1)Br)NC2CCCC2 270004a_100000211070_100000689217 [0,1,1,0,0,0|1,0,0]=3 641 B17R2.3372 CC(Cc1cccc(c1)Br)N[C@@H]2CCOC2 270004a_200015188469_100000689217 [0,1,1,0,0,0|0,1,0]=3 642 B17R2.3372 CC(Cc1cccc(c1)Br)N[C@H]2CCOC2 270004a_100015188467_100000689217 [0,1,1,0,0,0|0,1,0]=3 643 B17R2.3372 CC(Cc1cccc(c1)Cl)NC2CC=CC2 270004a_100015188752_100000727212 [0,1,1,0,0,0|1,0,1]=4 644 B17R2.3372 CC(Cc1cccc(c1)Cl)NC2CCCC2 270004a_100000211070_100000727212 [0,1,1,0,0,0|1,0,0]=3 645 B17R2.3372 CC(Cc1cccc(c1)Cl)N[C@@H]2CCOC2 270004a_200015188469_100000727212 [0,1,1,0,0,0|0,1,0]=3 646 B17R2.3372 CC(Cc1cccc(c1)Cl)N[C@H]2CCOC2 270004a_100015188467_100000727212 [0,1,1,0,0,0|0,1,0]=3 647 B17R2.3372 CC(Cc1cccc(c1)F)NC2CC=CC2 270004a_100015188752_100000687711 [0,1,1,0,0,0|1,0,1]=4 648 B17R2.3372 CC(Cc1cccc(c1)F)NC2CCCC2 270004a_100000211070_100000687711 [0,1,1,0,0,0|1,0,0]=3 649 B17R2.3372 CC(Cc1cccc(c1)F)N[C@@H]2CCOC2 270004a_200015188469_100000687711 [0,1,1,0,0,0|0,1,0]=3 650 B17R2.3372 CC(Cc1cccc(c1)F)N[C@H]2CCOC2 270004a_100015188467_100000687711 [0,1,1,0,0,0|0,1,0]=3 651 B17R2.3372 Cc1ccnc(c1)CC(C)NC2CCCC2 270004a_100000211070_200015184229 [0,1,1,0,0,0|2,0,0]=4 652 B17R2.3372 Cc1ccnc(c1)CC(C)N[C@@H]2CCOC2 270004a_200015188469_200015184229 [0,1,1,0,0,0|1,1,0]=4 653 B17R2.3372 Cc1ccnc(c1)CC(C)N[C@H]2CCOC2 270004a_100015188467_200015184229 [0,1,1,0,0,0|1,1,0]=4 654 B17R2.3431 CC(Cc1ccccc1Br)NC2CC=CC2 270004a_100015188752_100011350739 [0,1,1,0,0,0|1,0,1]=4 655 B17R2.3431 CC(Cc1ccccc1Br)NC2CCCC2 270004a_100000211070_100011350739 [0,1,1,0,0,0|1,0,0]=3 656 B17R2.3431 CC(Cc1ccccc1Br)N[C@@H]2CCOC2 270004a_200015188469_100011350739 [0,1,1,0,0,0|0,1,0]=3 657 B17R2.3431 CC(Cc1ccccc1Br)N[C@H]2CCOC2 270004a_100015188467_100011350739 [0,1,1,0,0,0|0,1,0]=3 658 B17R2.3431 CC(Cc1ccccc1Cl)NC2CC=CC2 270004a_100015188752_100000758791 [0,1,1,0,0,0|1,0,1]=4 659 B17R2.3431 CC(Cc1ccccc1Cl)NC2CCCC2 270004a_100000211070_100000758791 [0,1,1,0,0,0|1,0,0]=3 660 B17R2.3431 CC(Cc1ccccc1Cl)N[C@@H]2CCOC2 270004a_200015188469_100000758791 [0,1,1,0,0,0|0,1,0]=3 661 B17R2.3431 CC(Cc1ccccc1Cl)N[C@H]2CCOC2 270004a_100015188467_100000758791 [0,1,1,0,0,0|0,1,0]=3 662 B17R2.3431 CC(Cc1ccccc1F)NC2CC=CC2 270004a_100015188752_100000709178 [0,1,1,0,0,0|1,0,1]=4 663 B17R2.3431 CC(Cc1ccccc1F)NC2CCCC2 270004a_100000211070_100000709178 [0,1,1,0,0,0|1,0,0]=3 664 B17R2.3431 CC(Cc1ccccc1F)N[C@@H]2CCOC2 270004a_200015188469_100000709178 [0,1,1,0,0,0|0,1,0]=3 665 B17R2.3431 CC(Cc1ccccc1F)N[C@H]2CCOC2 270004a_100015188467_100000709178 [0,1,1,0,0,0|0,1,0]=3 666 B17R2.3431 Cc1ccccc1CC(C)NC2CC=CC2 270004a_100015188752_200000764500 [0,1,1,0,0,0|1,0,1]=4 667 B17R2.3431 Cc1ccccc1CC(C)NC2CCCC2 270004a_100000211070_200000764500 [0,1,1,0,0,0|1,0,0]=3 668 B17R2.3431 Cc1ccccc1CC(C)N[C@@H]2CCOC2 270004a_200015188469_200000764500 [0,1,1,0,0,0|0,1,0]=3 669 B17R2.3431 Cc1ccccc1CC(C)N[C@H]2CCOC2 270004a_100015188467_200000764500 [0,1,1,0,0,0|0,1,0]=3 670 B17R2.3431 Cc1cccnc1CC(C)NC2CCCC2 270004a_100000211070_100011823981 [0,1,1,0,0,0|2,0,0]=4 671 B17R2.3431 Cc1cccnc1CC(C)N[C@@H]2CCOC2 270004a_200015188469_100011823981 [0,1,1,0,0,0|1,1,0]=4 672 B17R2.3431 Cc1cccnc1CC(C)N[C@H]2CCOC2 270004a_100015188467_100011823981 [0,1,1,0,0,0|1,1,0]=4 673 B17R2.3512 CC(C[n+]1ccccc1)N[C@H]2CCC[C@@H]2O 270004a_100000748460_100000034229 [0,1,1,0,0,0|2,0,0]=4 674 B17R2.3512 CC(C[n+]1ccccc1)N[C@H]2COC[C@@H]2O 270004a_100015191717_100000034229 [0,1,1,0,0,0|1,1,0]=4 675 B17R2.3512 CC(Cc1ccccc1)NC2CCNC2=O 34a_100016995588_200011218536 [0,1,1,0,0,0|1,0,1]=4 676 B17R2.3512 CC(Cc1ccccc1)OC2CCCC2C 34a_100011216460_200011218536 [0,1,1,0,0,0|2,0,0]=4 677 B17R2.3512 CC(Cc1ccccc1)OC2CCCC2C 7a_100011216460_200011218536 [0,1,1,0,0,0|2,0,0]=4 678 B17R2.3512 CC(Cc1ccccc1)OC2COCC2O 34a_100000748627_200000725654 [0,1,1,0,0,0|1,1,0]=4 679 B17R2.3512 CC(Cc1ccccc1)OC2COCC2O 7a_100000748627_200000725654 [0,1,1,0,0,0|1,1,0]=4 680 B17R2.3512 CC(Cc1ccccc1)O[C@@H]2CCC[C@H]2Cl 34a_200016002552_200011218536 [0,1,1,0,0,0|2,0,0]=4 681 B17R2.3512 CC(Cc1ccccc1)O[C@H]2CCC[C@@H]2N 34a_100000748460_200011218536 [0,1,1,0,0,0|2,0,0]=4 682 B17R2.3512 CC(Cc1ccccc1)O[C@H]2CNC[C@H]2C 34a_200015306588_200011218536 [0,1,1,0,0,0|2,0,0]=4 683 B17R2.3512 CC(Cc1ccccc1)O[C@H]2COC[C@@H]2N 34a_100015191717_200011218536 [0,1,1,0,0,0|1,1,0]=4 684 B17R2.3512 CC(Cc1ccccc1)SC2COCC2O 62a_200000725654_200011218536 [0,1,1,0,0,0|1,1,0]=4 685 B17R2.3512 CC(Cc1ccccc1)SC2COCC2O 62a_200011218536_200000725654 [0,1,1,0,0,0|1,1,0]=4 686 B17R2.3512 CC(Cc1ccccc1)S[C@@H]2CCC[C@H]2O 62a_200011218536_200016002552 [0,1,1,0,0,0|2,0,0]=4 687 B17R2.3512 CC(Cc1ccccc1)S[C@@H]2CCC[C@H]2O 62a_200016002552_200011218536 [0,1,1,0,0,0|2,0,0]=4 688 B17R2.3512 CC(Cc1ccccn1)NC2CCCC2C 269862a_100000238496_100000752053 [0,1,1,0,0,0|2,0,0]=4 689 B17R2.3512 CC(Cc1ccccn1)NC2CCOC2C 270004a_100000238496_100000691750 [0,1,1,0,0,0|1,1,0]=4 690 B17R2.3512 CC(Cc1cccnc1)NC2CCCC2C 269862a_100011207255_100000752053 [0,1,1,0,0,0|2,0,0]=4 691 B17R2.3512 CC(Cc1cccnc1)NC2CCOC2C 270004a_100011207255_100000691750 [0,1,1,0,0,0|1,1,0]=4 692 B17R2.3512 CC(Cc1cccnc1)N[C@H]2CCC[C@@H]2O 270004a_100000748460_100015187140 [0,1,1,0,0,0|2,0,0]=4 693 B17R2.3512 CC(Cc1cccnc1)N[C@H]2COC[C@@H]2O 270004a_100015191717_100015187140 [0,1,1,0,0,0|1,1,0]=4 694 B17R2.3512 CC(Cc1ccncc1)N[C@H]2CCC[C@@H]2O 270004a_100000748460_100000238508 [0,1,1,0,0,0|2,0,0]=4 695 B17R2.3512 CC(Cc1ccncc1)N[C@H]2COC[C@@H]2O 270004a_100015191717_100000238508 [0,1,1,0,0,0|1,1,0]=4 696 B17R2.5722 CC(C[n+]1ccccc1)N(C)C2CCCC2 270004a_100000207505_100000034229 [0,1,1,0,0,0|2,0,0]=4 697 B17R2.5722 CC(C[n+]1ccccc1)N(C)C2CCOC2 270004a_100016988252_100000034229 [0,1,1,0,0,0|1,1,0]=4 698 B17R2.5722 CC(Cc1ccccc1)C(=O)C2CCCC2 1458a_100000210718_200011218536 [0,1,1,0,0,0|2,0,0]=4 699 B17R2.5722 CC(Cc1ccccc1)C(=O)C2CCCC2 1458a_100000754839_100000179811 [0,1,1,0,0,0|2,0,0]=4 700 B17R2.5722 CC(Cc1ccccc1)C(=O)C2CCOC2 1458a_100000754839_100000690089 [0,1,1,0,0,0|1,1,0]=4 701 B17R2.5722 CC(Cc1ccccc1)C(=O)C2CCOC2 1458a_100011219752_200011218536 [0,1,1,0,0,0|1,1,0]=4 702 B17R2.5722 CC(Cc1ccccc1)C(=O)N2CCSC2 11a_100011215254_100000754839 [0,1,1,0,0,0|2,0,0]=4 703 B17R2.5722 CC(Cc1ccccc1)C(=O)N2CCSC2 240690a_100011215254_100000754839 [0,1,1,0,0,0|2,0,0]=4 704 B17R2.5722 CC(Cc1ccccc1)C(=O)N2CCSC2 527a_100011215254_100000754839 [0,1,1,0,0,0|2,0,0]=4 705 B17R2.5722 CC(Cc1ccccc1)C(C)N2CCSC2 270004a_100011215254_200011390852 [0,1,1,0,0,0|2,0,0]=4 706 B17R2.5722 CC(Cc1ccccc1)N(C)C2CCCC2 269982a_100000207505_200011218536 [0,1,1,0,0,0|1,0,0]=3 707 B17R2.5722 CC(Cc1ccccc1)N(C)C2CCCC2 34a_100000207505_200011218536 [0,1,1,0,0,0|1,0,0]=3 708 B17R2.5722 CC(Cc1ccccc1)N(C)C2CCOC2 269982a_100016988252_200011218536 [0,1,1,0,0,0|0,1,0]=3 709 B17R2.5722 CC(Cc1ccccc1)N(C)C2CCOC2 34a_100016988252_200011218536 [0,1,1,0,0,0|0,1,0]=3 710 B17R2.5722 CC(Cc1ccccn1)N(C)C2CCCC2 2230a_200011351704_100000179811 [0,1,1,0,0,0|2,0,0]=4 711 B17R2.5722 CC(Cc1ccccn1)N(C)C2CCCC2 269982a_200011351704_100000179811 [0,1,1,0,0,0|2,0,0]=4 712 B17R2.5722 CC(Cc1ccccn1)N(C)C2CCCC2 270004a_200011351704_100000210133 [0,1,1,0,0,0|2,0,0]=4 713 B17R2.5722 CC(Cc1ccccn1)N(C)C2CCOC2 2230a_200011351704_100000731011 [0,1,1,0,0,0|1,1,0]=4 714 B17R2.5722 CC(Cc1ccccn1)N(C)C2CCOC2 269982a_200011351704_100000731011 [0,1,1,0,0,0|1,1,0]=4 715 B17R2.5722 CC(Cc1ccccn1)N(C)C2CCOC2 270004a_200011351704_100000752484 [0,1,1,0,0,0|1,1,0]=4 716 B17R2.5722 CC(Cc1ccccn1)N(C)C2CCSC2 270004a_200011351704_100000212027 [0,1,1,0,0,0|1,0,0]=3 717 B17R2.5722 CC(Cc1cccnc1)N(C)C2CCCC2 270004a_100000207505_100015187140 [0,1,1,0,0,0|2,0,0]=4 718 B17R2.5722 CC(Cc1cccnc1)N(C)C2CCOC2 270004a_100016988252_100015187140 [0,1,1,0,0,0|1,1,0]=4 719 B17R2.5722 CC(Cc1ccncc1)N(C)C2CCCC2 270004a_100000207505_100000238508 [0,1,1,0,0,0|2,0,0]=4 720 B17R2.5722 CC(Cc1ccncc1)N(C)C2CCOC2 270004a_100016988252_100000238508 [0,1,1,0,0,0|1,1,0]=4 721 B17R2.5724 CC(NC1CCCC1)C(=O)c2ccccc2 2230a_100000211070_100000239700 [0,1,1,0,0,0|1,0,1]=4 722 B17R2.5724 CC(N[C@@H]1CCOC1)C(=O)c2ccccc2 2230a_200015188469_100000239700 [0,1,1,0,0,0|0,1,1]=4 723 B17R2.5724 CC(N[C@H]1CCOC1)C(=O)c2ccccc2 2230a_100015188467_100000239700 [0,1,1,0,0,0|0,1,1]=4 724 B17R2.5724 CC(OC1CCSC1)C(=O)c2ccccc2 7a_100011232664_100000239700 [0,1,1,0,0,0|1,0,1]=4 725 B17R2.5724 C[C@H](OC1CCCC1)[C@@H](N)c2ccccc2 34a_100134616770_100000179811 [0,1,1,0,0,0|2,0,0]=4 726 B17R2.5724 C[C@H](OC1CCOC1)[C@@H](N)c2ccccc2 34a_100134616770_100000690089 [0,1,1,0,0,0|1,1,0]=4 727 B17R2.6053 CCC(Cc1ccccc1)NC2CC=CC2 270004a_100015188752_100000212045 [0,1,1,0,0,0|1,0,1]=4 728 B17R2.6053 CCC(Cc1ccccc1)NC2CCCC2 270004a_100000211070_100000212045 [0,1,1,0,0,0|1,0,0]=3 729 B17R2.6053 CCC(Cc1ccccc1)N[C@@H]2CCOC2 270004a_200015188469_100000212045 [0,1,1,0,0,0|0,1,0]=3 730 B17R2.6053 CCC(Cc1ccccc1)N[C@H]2CCOC2 270004a_100015188467_100000212045 [0,1,1,0,0,0|0,1,0]=3 731 B17R2.6053 CCC(Cc1ccccc1)OC2CCCC2 7a_100000760156_100000179811 [0,1,1,0,0,0|2,0,0]=4 732 B17R2.6053 CCC(Cc1ccccc1)OC2CCOC2 7a_100000760156_100000731011 [0,1,1,0,0,0|1,1,0]=4 733 B17R2.6053 ClC[C@H](Cc1ccccc1)OC2CCCC2 7a_100000729385_100000179811 [0,1,1,0,0,0|2,0,0]=4 734 B17R2.6053 ClC[C@H](Cc1ccccc1)OC2CCOC2 7a_100000729385_100000731011 [0,1,1,0,0,0|1,1,0]=4 735 B17R2.6053 N#CC(Cc1ccccc1)NC2CCCC2 2230a_100000746547_100000179811 [0,1,1,0,0,0|1,0,1]=4 736 B17R2.6053 N#CC(Cc1ccccc1)NC2CCOC2 2230a_100000746547_100000731011 [0,1,1,0,0,0|0,1,1]=4 737 B17R2.6053 N#CC(Cc1ccccc1)OC2CCSC2 7a_100011232664_100000183401 [0,1,1,0,0,0|1,0,1]=4 738 B17R2.6053 NCC(Cc1ccccc1)OC2CCCC2 34a_100000752270_100000179811 [0,1,1,0,0,0|2,0,0]=4 739 B17R2.6053 NCC(Cc1ccccc1)OC2CCOC2 34a_100000752270_100000690089 [0,1,1,0,0,0|1,1,0]=4 740 B17R2.6053 OCC(Cc1ccccc1)NC2CCCC2 2230a_100000739027_100000179811 [0,1,1,0,0,0|1,0,0]=3 741 B17R2.6053 OCC(Cc1ccccc1)NC2CCCC2 270004a_100000739027_100000210133 [0,1,1,0,0,0|1,0,0]=3 742 B17R2.6053 OCC(Cc1ccccc1)NC2CCOC2 2230a_100000739027_100000731011 [0,1,1,0,0,0|0,1,0]=3 743 B17R2.6053 OCC(Cc1ccccc1)NC2CCOC2 270004a_100000739027_100000752484 [0,1,1,0,0,0|0,1,0]=3 744 B17R2.6053 OCC(Cc1ccccc1)NC2CCSC2 270004a_100000739027_100000212027 [0,1,1,0,0,0|0,0,0]=2 745 B17R2.6053 OCC(Cc1cccnc1)NC2CCCC2 2230a_100000717814_100000179811 [0,1,1,0,0,0|2,0,0]=4 746 B17R2.6053 OCC(Cc1cccnc1)NC2CCCC2 270004a_100000717814_100000210133 [0,1,1,0,0,0|2,0,0]=4 747 B17R2.6053 OCC(Cc1cccnc1)NC2CCOC2 2230a_100000717814_100000731011 [0,1,1,0,0,0|1,1,0]=4 748 B17R2.6053 OCC(Cc1cccnc1)NC2CCOC2 270004a_100000717814_100000752484 [0,1,1,0,0,0|1,1,0]=4 749 B17R2.6053 OCC(Cc1cccnc1)NC2CCSC2 270004a_100000717814_100000212027 [0,1,1,0,0,0|1,0,0]=3 750 B17R2.6053 OCC(Cc1ccncc1)NC2CCCC2 2230a_100000717866_100000179811 [0,1,1,0,0,0|2,0,0]=4 751 B17R2.6053 OCC(Cc1ccncc1)NC2CCCC2 270004a_100000717866_100000210133 [0,1,1,0,0,0|2,0,0]=4 752 B17R2.6053 OCC(Cc1ccncc1)NC2CCOC2 2230a_100000717866_100000731011 [0,1,1,0,0,0|1,1,0]=4 753 B17R2.6053 OCC(Cc1ccncc1)NC2CCOC2 270004a_100000717866_100000752484 [0,1,1,0,0,0|1,1,0]=4 754 B17R2.6053 OCC(Cc1ccncc1)NC2CCSC2 270004a_100000717866_100000212027 [0,1,1,0,0,0|1,0,0]=3 755 B17R2.45579 CC(C[n+]1ccccc1)NC2(CCOC2)C 270004a_100000693475_100000034229 [0,1,1,0,0,0|1,1,0]=4 756 B17R2.45579 CC(Cc1ccccc1)OC2(CCCC2)C 34a_100000751722_200011218536 [0,1,1,0,0,0|2,0,0]=4 757 B17R2.45579 CC(Cc1ccccc1)OC2(CCCC2)C 7a_100000751722_200011218536 [0,1,1,0,0,0|2,0,0]=4 758 B17R2.45579 CC(Cc1cccnc1)NC2(CCOC2)C 270004a_100000693475_100015187140 [0,1,1,0,0,0|1,1,0]=4 759 B17R2.45579 CC(Cc1ccncc1)NC2(CCOC2)C 270004a_100000693475_100000238508 [0,1,1,0,0,0|1,1,0]=4 760 B17R2.154253 CC(C)(Cc1ccccc1)OC2CCCC2 7a_100011215222_100000179811 [0,1,1,0,0,0|2,0,0]=4 761 B17R2.154253 CC(C)(Cc1ccccc1)OC2CCOC2 7a_100011215222_100000731011 [0,1,1,0,0,0|1,1,0]=4 762 B17R2.2127 CCCCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200011215066 [0,1,1,0,0,0|1,0,0]=3 763 B17R2.2127 CCCCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200011215066 [0,1,1,0,0,0|1,0,0]=3 764 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000230394 [0,1,1,0,0,0|1,0,1]=4 765 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000230394 [0,1,1,0,0,0|1,0,1]=4 766 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000230394 [0,1,1,0,0,0|1,0,1]=4 767 B17R2.2127 CCSCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000230394 [0,1,1,0,0,0|1,0,1]=4 768 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000174002 [0,1,1,0,0,0|1,0,1]=4 769 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000174002 [0,1,1,0,0,0|1,0,1]=4 770 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000174002 [0,1,1,0,0,0|1,0,1]=4 771 B17R2.2127 CSCCC(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000174002 [0,1,1,0,0,0|1,0,1]=4 772 B17R2.2258 CCC(=O)C(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000742827 [0,1,1,0,0,0|1,0,1]=4 773 B17R2.2258 CNC(=O)C(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000731044 [0,1,1,0,0,0|1,0,1]=4 774 B17R2.2258 CNC(=O)C(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000731044 [0,1,1,0,0,0|1,0,1]=4 775 B17R2.2258 COC(=O)C(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000211248 [0,1,1,0,0,0|0,1,1]=4 776 B17R2.2258 COC(=O)C(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000211248 [0,1,1,0,0,0|0,1,1]=4 777 B17R2.2258 CSC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 11a_100020588832_100000149566 [0,1,1,0,0,0|1,0,1]=4 778 B17R2.2258 CSC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100000149566 [0,1,1,0,0,0|1,0,1]=4 779 B17R2.2258 CSC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 240690a_100020588832_100000149566 [0,1,1,0,0,0|1,0,1]=4 780 B17R2.2258 CSC(C)C(=O)N[C@H]1C[C@@H]1c2ccccc2 527a_100020588832_100000149566 [0,1,1,0,0,0|1,0,1]=4 781 B17R2.6256 CC(CC#N)NC1CC1c2ccc(cc2)Br 2230a_100000755575_100009813641 [0,1,1,0,0,0|1,0,1]=4 782 B17R2.6256 CC(CC#N)N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100009813641 [0,1,1,0,0,0|1,0,1]=4 783 B17R2.6256 CC(CCO)NC1CC1c2ccc(cc2)Br 2230a_100000755575_100009893172 [0,1,1,0,0,0|0,1,0]=3 784 B17R2.6256 CC(CCO)NC1CC1c2ccc(cc2)Br 34a_100000755575_100009893172 [0,1,1,0,0,0|0,1,0]=3 785 B17R2.6256 CC(CCO)N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100009893172 [0,1,1,0,0,0|0,1,0]=3 786 B17R2.6256 CC(CCO)N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100009893172 [0,1,1,0,0,0|0,1,0]=3 787 B17R2.6256 CCCC(C)NC1CC1c2ccc(cc2)Br 2230a_100000755575_100000766640 [0,1,1,0,0,0|1,0,0]=3 788 B17R2.6256 CCCC(C)NC1CC1c2ccc(cc2)Br 34a_100000755575_100000766640 [0,1,1,0,0,0|1,0,0]=3 789 B17R2.6256 CCCC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000766640 [0,1,1,0,0,0|1,0,0]=3 790 B17R2.6256 CCCC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000766640 [0,1,1,0,0,0|1,0,0]=3 791 B17R2.6256 COCC(C)NC1CC1c2ccc(cc2)Br 2230a_100000755575_100000765312 [0,1,1,0,0,0|0,1,0]=3 792 B17R2.6256 COCC(C)NC1CC1c2ccc(cc2)Br 34a_100000755575_100000765312 [0,1,1,0,0,0|0,1,0]=3 793 B17R2.6256 COCC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000765312 [0,1,1,0,0,0|0,1,0]=3 794 B17R2.6256 COCC(C)N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000765312 [0,1,1,0,0,0|0,1,0]=3 795 B17R2.6256 CSCC(=O)NC1CC1c2ccc(cc2)Br 11a_100000755575_100000184570 [0,1,1,0,0,0|1,0,1]=4 796 B17R2.6256 CSCC(=O)NC1CC1c2ccc(cc2)Br 1626a_100000755575_100000184570 [0,1,1,0,0,0|1,0,1]=4 797 B17R2.6256 CSCC(=O)NC1CC1c2ccc(cc2)Br 240690a_100000755575_100000184570 [0,1,1,0,0,0|1,0,1]=4 798 B17R2.6256 CSCC(=O)N[C@@H]1C[C@H]1c2ccc(cc2)F 1626a_100025713227_100000184570 [0,1,1,0,0,0|1,0,1]=4 799 B17R2.6256 CSCC(=O)N[C@@H]1C[C@H]1c2ccc(cc2)F 240690a_100025713227_100000184570 [0,1,1,0,0,0|1,0,1]=4 800 B17R2.10119 CC(CCO)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100009893172 [0,1,1,0,0,0|1,1,0]=4 801 B17R2.10119 CCCC(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000766640 [0,1,1,0,0,0|2,0,0]=4 802 B17R2.10119 COCC(C)C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000765312 [0,1,1,0,0,0|1,1,0]=4 803 B17R2.18976 CC(C)CC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000731052 [0,1,1,0,0,0|1,0,0]=3 804 B17R2.18976 CC(C)CC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000731052 [0,1,1,0,0,0|1,0,0]=3 805 B17R2.49501 CC(CC#N)NC1CC1c2ccccc2F 2230a_100000753450_100009813641 [0,1,1,0,0,0|1,0,1]=4 806 B17R2.49501 CC(CCO)NC1CC1c2ccccc2F 2230a_100000753450_100009893172 [0,1,1,0,0,0|0,1,0]=3 807 B17R2.49501 CC(CCO)NC1CC1c2ccccc2F 34a_100000753450_100009893172 [0,1,1,0,0,0|0,1,0]=3 808 B17R2.49501 CCCC(C)NC1CC1c2ccccc2F 2230a_100000753450_100000766640 [0,1,1,0,0,0|1,0,0]=3 809 B17R2.49501 CCCC(C)NC1CC1c2ccccc2F 34a_100000753450_100000766640 [0,1,1,0,0,0|1,0,0]=3 810 B17R2.49501 COCC(C)NC1CC1c2ccccc2F 2230a_100000753450_100000765312 [0,1,1,0,0,0|0,1,0]=3 811 B17R2.49501 COCC(C)NC1CC1c2ccccc2F 34a_100000753450_100000765312 [0,1,1,0,0,0|0,1,0]=3 812 B17R2.49501 CSCC(=O)NC1CC1c2ccccc2F 1626a_100000753450_100000184570 [0,1,1,0,0,0|1,0,1]=4 813 B17R2.49501 CSCC(=O)NC1CC1c2ccccc2F 240690a_100000753450_100000184570 [0,1,1,0,0,0|1,0,1]=4 814 B17R2.49501 CSCC(=O)NC1CC1c2ccccc2F 527a_100000753450_100000184570 [0,1,1,0,0,0|1,0,1]=4 815 B17R2.696 C#CCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000731252 [0,1,1,0,0,0|1,0,1]=4 816 B17R2.696 C#CCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000695029 [0,1,1,0,0,0|1,0,1]=4 817 B17R2.696 C#CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000731252 [0,1,1,0,0,0|1,0,1]=4 818 B17R2.696 C#CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000695029 [0,1,1,0,0,0|1,0,1]=4 819 B17R2.696 C=CCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011713584 [0,1,1,0,0,0|1,0,1]=4 820 B17R2.696 C=CCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000757094 [0,1,1,0,0,0|1,0,1]=4 821 B17R2.696 C=CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011713584 [0,1,1,0,0,0|1,0,1]=4 822 B17R2.696 C=CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000757094 [0,1,1,0,0,0|1,0,1]=4 823 B17R2.696 CC/C=C\CNC1CC1c2ccc(cc2)Br 2230a_100000755575_100103147603 [0,1,1,0,0,0|1,0,1]=4 824 B17R2.696 CC/C=C\CNC1CC1c2ccc(cc2)Br 34a_100000755575_100103147603 [0,1,1,0,0,0|1,0,1]=4 825 B17R2.696 CC/C=C\CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100103147603 [0,1,1,0,0,0|1,0,1]=4 826 B17R2.696 CC/C=C\CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100103147603 [0,1,1,0,0,0|1,0,1]=4 827 B17R2.696 CCC#CCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100009813939 [0,1,1,0,0,0|1,0,1]=4 828 B17R2.696 CCC#CCNC1CC1c2ccc(cc2)Br 34a_100000755575_100009813939 [0,1,1,0,0,0|1,0,1]=4 829 B17R2.696 CCC#CCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100009813939 [0,1,1,0,0,0|1,0,1]=4 830 B17R2.696 CCC#CCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100009813939 [0,1,1,0,0,0|1,0,1]=4 831 B17R2.696 CCCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210326 [0,1,1,0,0,0|1,0,0]=3 832 B17R2.696 CCCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000718602 [0,1,1,0,0,0|1,0,0]=3 833 B17R2.696 CCCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210326 [0,1,1,0,0,0|1,0,0]=3 834 B17R2.696 CCCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000718602 [0,1,1,0,0,0|1,0,0]=3 835 B17R2.696 CCOCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100011215890 [0,1,1,0,0,0|0,1,0]=3 836 B17R2.696 CCOCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000210147 [0,1,1,0,0,0|0,1,0]=3 837 B17R2.696 CCOCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100011215890 [0,1,1,0,0,0|0,1,0]=3 838 B17R2.696 CCOCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210147 [0,1,1,0,0,0|0,1,0]=3 839 B17R2.696 CCSCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000757381 [0,1,1,0,0,0|0,0,0]=2 840 B17R2.696 CCSCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000757381 [0,1,1,0,0,0|0,0,0]=2 841 B17R2.696 CCSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000757381 [0,1,1,0,0,0|0,0,0]=2 842 B17R2.696 CCSCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000757381 [0,1,1,0,0,0|0,0,0]=2 843 B17R2.696 COCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000740836 [0,1,1,0,0,0|0,1,0]=3 844 B17R2.696 COCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000740836 [0,1,1,0,0,0|0,1,0]=3 845 B17R2.696 COCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000740836 [0,1,1,0,0,0|0,1,0]=3 846 B17R2.696 COCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000740836 [0,1,1,0,0,0|0,1,0]=3 847 B17R2.696 FCCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000729493 [0,1,1,0,0,0|2,0,0]=4 848 B17R2.696 FCCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000729493 [0,1,1,0,0,0|2,0,0]=4 849 B17R2.696 FCCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000729493 [0,1,1,0,0,0|2,0,0]=4 850 B17R2.696 FCCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000729493 [0,1,1,0,0,0|2,0,0]=4 851 B17R2.696 N#CCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000687738 [0,1,1,0,0,0|2,0,0]=4 852 B17R2.696 N#CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000687738 [0,1,1,0,0,0|2,0,0]=4 853 B17R2.696 O=CCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_200011292268 [0,1,1,0,0,0|2,0,0]=4 854 B17R2.696 O=CCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200011292268 [0,1,1,0,0,0|2,0,0]=4 855 B17R2.696 OCCCCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210776 [0,1,1,0,0,0|2,0,0]=4 856 B17R2.696 OCCCCNC1CC1c2ccc(cc2)Br 34a_100000755575_100011216708 [0,1,1,0,0,0|2,0,0]=4 857 B17R2.696 OCCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210776 [0,1,1,0,0,0|2,0,0]=4 858 B17R2.696 OCCCCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100011216708 [0,1,1,0,0,0|2,0,0]=4 859 B17R2.921 CNC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000737683 [0,1,1,0,0,0|1,0,1]=4 860 B17R2.921 CNC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100012179268 [0,1,1,0,0,0|1,0,1]=4 861 B17R2.921 COC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000204255 [0,1,1,0,0,0|0,1,1]=4 862 B17R2.921 COC(=O)CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000742370 [0,1,1,0,0,0|0,1,1]=4 863 B17R2.1994 C#CCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100010269958 [0,1,1,0,0,0|1,0,1]=4 864 B17R2.1994 C#CCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100010269958 [0,1,1,0,0,0|1,0,1]=4 865 B17R2.1994 C#CCOCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100010402529 [0,1,1,0,0,0|0,1,1]=4 866 B17R2.1994 C#CCOCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100010402529 [0,1,1,0,0,0|0,1,1]=4 867 B17R2.1994 C=CCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215482 [0,1,1,0,0,0|1,0,1]=4 868 B17R2.1994 C=CCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011215482 [0,1,1,0,0,0|1,0,1]=4 869 B17R2.1994 CC/C=C\CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100015370543 [0,1,1,0,0,0|1,0,0]=3 870 B17R2.1994 CC/C=C\CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015370543 [0,1,1,0,0,0|1,0,0]=3 871 B17R2.1994 CCCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210314 [0,1,1,0,0,0|1,0,0]=3 872 B17R2.1994 CCCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210314 [0,1,1,0,0,0|1,0,0]=3 873 B17R2.1994 CCCCCOCC1CC1c2ccccc2 34a_100011997005_100000718602 [0,1,1,0,0,0|2,0,0]=4 874 B17R2.1994 CCCCCOCC1CC1c2ccccc2 7a_100011997005_100000210326 [0,1,1,0,0,0|2,0,0]=4 875 B17R2.1994 CCCCOCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011995733 [0,1,1,0,0,0|1,0,0]=3 876 B17R2.1994 CCCCOCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011995733 [0,1,1,0,0,0|1,0,0]=3 877 B17R2.1994 CCCOCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215938 [0,1,1,0,0,0|0,1,0]=3 878 B17R2.1994 CCCOCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011215938 [0,1,1,0,0,0|0,1,0]=3 879 B17R2.1994 CCOCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100012232248 [0,1,1,0,0,0|0,1,0]=3 880 B17R2.1994 CCOCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100012232248 [0,1,1,0,0,0|0,1,0]=3 881 B17R2.1994 CCOCCOCC1CC1c2ccccc2 34a_100011997005_100000210147 [0,1,1,0,0,0|1,1,0]=4 882 B17R2.1994 CCOCCOCC1CC1c2ccccc2 7a_100011997005_100011215890 [0,1,1,0,0,0|1,1,0]=4 883 B17R2.1994 CCSCCOCC1CC1c2ccccc2 34a_100011997005_100000757381 [0,1,1,0,0,0|1,0,0]=3 884 B17R2.1994 CCSCCOCC1CC1c2ccccc2 7a_100011997005_100000757381 [0,1,1,0,0,0|1,0,0]=3 885 B17R2.1994 CCSCCOCC1OC1c2ccccc2 34a_100000032844_100000757381 [0,1,1,0,0,0|2,0,0]=4 886 B17R2.1994 CCSCCOCC1OC1c2ccccc2 7a_100000032844_100000757381 [0,1,1,0,0,0|2,0,0]=4 887 B17R2.1994 COCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000730899 [0,1,1,0,0,0|0,1,0]=3 888 B17R2.1994 COCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000755781 [0,1,1,0,0,0|0,1,0]=3 889 B17R2.1994 COCCCOCC1CC1c2ccccc2 34a_100011997005_100000740836 [0,1,1,0,0,0|1,1,0]=4 890 B17R2.1994 COCCCOCC1CC1c2ccccc2 7a_100011997005_100000740836 [0,1,1,0,0,0|1,1,0]=4 891 B17R2.1994 COCCOCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000231047 [0,1,1,0,0,0|0,1,0]=3 892 B17R2.1994 FCCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000729378 [0,1,1,0,0,0|1,0,0]=3 893 B17R2.1994 FCCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000729378 [0,1,1,0,0,0|1,0,0]=3 894 B17R2.1994 N#CCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000211819 [0,1,1,0,0,0|1,0,1]=4 895 B17R2.1994 N#CCOCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000047693 [0,1,1,0,0,0|0,1,1]=4 896 B17R2.1994 O=CCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000139335 [0,1,1,0,0,0|1,0,1]=4 897 B17R2.1994 OCCCCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000746330 [0,1,1,0,0,0|1,0,0]=3 898 B17R2.1994 OCCCCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000746330 [0,1,1,0,0,0|1,0,0]=3 899 B17R2.1994 OCCOCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215305 [0,1,1,0,0,0|0,1,0]=3 900 B17R2.1994 OCCOCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000692535 [0,1,1,0,0,0|0,1,0]=3 901 B17R2.2308 CCCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210326 [0,1,1,0,0,0|2,0,0]=4 902 B17R2.2308 CCOCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100011215890 [0,1,1,0,0,0|1,1,0]=4 903 B17R2.2308 CCSCCC(=O)C1CC1c2cccnc2 1458a_100000746292_100000757381 [0,1,1,0,0,0|2,0,0]=4 904 B17R2.2308 CCSCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000757381 [0,1,1,0,0,0|1,0,0]=3 905 B17R2.2308 COCCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000740836 [0,1,1,0,0,0|1,1,0]=4 906 B17R2.2308 CSCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100020590264_100009815801 [0,1,1,0,0,0|2,0,0]=4 907 B17R2.2308 CSCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100020590264_100009815801 [0,1,1,0,0,0|2,0,0]=4 908 B17R2.2308 CSCCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100020590264_100009815801 [0,1,1,0,0,0|2,0,0]=4 909 B17R2.5631 CC(=CCCN[C@H]1C[C@@H]1c2ccccc2)C 2230a_100020588832_100011217483 [0,1,1,0,0,0|1,0,1]=4 910 B17R2.5631 CC(=CCCN[C@H]1C[C@@H]1c2ccccc2)C 34a_100020588832_100011217483 [0,1,1,0,0,0|1,0,1]=4 911 B17R2.5631 CC(=O)CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000685027 [0,1,1,0,0,0|1,0,0]=3 912 B17R2.5631 CC(=O)NCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000189650 [0,1,1,0,0,0|1,0,1]=4 913 B17R2.5631 CC(=O)OCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100009814007 [0,1,1,0,0,0|0,1,1]=4 914 B17R2.5631 CC(C)CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011214892 [0,1,1,0,0,0|1,0,0]=3 915 B17R2.5631 CC(C)CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011214892 [0,1,1,0,0,0|1,0,0]=3 916 B17R2.5631 CC(C)OCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000211751 [0,1,1,0,0,0|0,1,0]=3 917 B17R2.5631 CC(C)OCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000211751 [0,1,1,0,0,0|0,1,0]=3 918 B17R2.5631 CC(C)SCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000730970 [0,1,1,0,0,0|0,0,0]=2 919 B17R2.5631 CC(C)SCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000730970 [0,1,1,0,0,0|0,0,0]=2 920 B17R2.5631 CC(O)CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000718107 [0,1,1,0,0,0|1,0,0]=3 921 B17R2.5631 CC(O)CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000718107 [0,1,1,0,0,0|1,0,0]=3 922 B17R2.5631 NC(=O)CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100102525003 [0,1,1,0,0,0|2,0,0]=4 923 B17R2.6163 CCCC(=O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000747444 [0,1,1,0,0,0|1,0,1]=4 924 B17R2.6163 CCCC(C)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011216630 [0,1,1,0,0,0|1,0,0]=3 925 B17R2.6163 CCCC(C)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011216630 [0,1,1,0,0,0|1,0,0]=3 926 B17R2.6163 CCNC(=O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000183381 [0,1,1,0,0,0|1,0,1]=4 927 B17R2.6163 CCNC(=O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000183381 [0,1,1,0,0,0|1,0,1]=4 928 B17R2.6163 CCOC(=O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000188475 [0,1,1,0,0,0|0,1,1]=4 929 B17R2.6163 CCOC(=O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000188475 [0,1,1,0,0,0|0,1,1]=4 930 B17R2.6163 COCC(O)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011215053 [0,1,1,0,0,0|0,1,0]=3 931 B17R2.6163 N#CC[C@H](O)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000001066 [0,1,1,0,0,0|2,0,0]=4 932 B17R2.19008 C#CCCCNC1CC1c2ccccc2F 2230a_100000753450_100000731252 [0,1,1,0,0,0|1,0,1]=4 933 B17R2.19008 C#CCCCNC1CC1c2ccccc2F 34a_100000753450_100000695029 [0,1,1,0,0,0|1,0,1]=4 934 B17R2.19008 C=CCCCNC1CC1c2ccccc2F 2230a_100000753450_100011713584 [0,1,1,0,0,0|1,0,1]=4 935 B17R2.19008 C=CCCCNC1CC1c2ccccc2F 34a_100000753450_100000757094 [0,1,1,0,0,0|1,0,1]=4 936 B17R2.19008 CC/C=C\CNC1CC1c2ccccc2F 2230a_100000753450_100103147603 [0,1,1,0,0,0|1,0,1]=4 937 B17R2.19008 CC/C=C\CNC1CC1c2ccccc2F 34a_100000753450_100103147603 [0,1,1,0,0,0|1,0,1]=4 938 B17R2.19008 CCC#CCNC1CC1c2ccccc2F 2230a_100000753450_100009813939 [0,1,1,0,0,0|1,0,1]=4 939 B17R2.19008 CCC#CCNC1CC1c2ccccc2F 34a_100000753450_100009813939 [0,1,1,0,0,0|1,0,1]=4 940 B17R2.19008 CCCCCNC1CC1c2ccccc2F 2230a_100000753450_100000210326 [0,1,1,0,0,0|1,0,0]=3 941 B17R2.19008 CCCCCNC1CC1c2ccccc2F 34a_100000753450_100000718602 [0,1,1,0,0,0|1,0,0]=3 942 B17R2.19008 CCOCCNC1CC1c2ccccc2F 2230a_100000753450_100011215890 [0,1,1,0,0,0|0,1,0]=3 943 B17R2.19008 CCOCCNC1CC1c2ccccc2F 34a_100000753450_100000210147 [0,1,1,0,0,0|0,1,0]=3 944 B17R2.19008 CCSCCNC1CC1c2ccccc2F 2230a_100000753450_100000757381 [0,1,1,0,0,0|0,0,0]=2 945 B17R2.19008 CCSCCNC1CC1c2ccccc2F 34a_100000753450_100000757381 [0,1,1,0,0,0|0,0,0]=2 946 B17R2.19008 COCCCNC1CC1c2ccccc2F 2230a_100000753450_100000740836 [0,1,1,0,0,0|0,1,0]=3 947 B17R2.19008 COCCCNC1CC1c2ccccc2F 34a_100000753450_100000740836 [0,1,1,0,0,0|0,1,0]=3 948 B17R2.19008 FCCCCNC1CC1c2ccccc2F 2230a_100000753450_100000729493 [0,1,1,0,0,0|2,0,0]=4 949 B17R2.19008 FCCCCNC1CC1c2ccccc2F 34a_100000753450_100000729493 [0,1,1,0,0,0|2,0,0]=4 950 B17R2.19008 N#CCCCNC1CC1c2ccccc2F 2230a_100000753450_100000687738 [0,1,1,0,0,0|2,0,0]=4 951 B17R2.19008 O=CCCCNC1CC1c2ccccc2F 2230a_100000753450_200011292268 [0,1,1,0,0,0|2,0,0]=4 952 B17R2.19008 OCCCCNC1CC1c2ccccc2F 2230a_100000753450_100000210776 [0,1,1,0,0,0|2,0,0]=4 953 B17R2.19008 OCCCCNC1CC1c2ccccc2F 34a_100000753450_100011216708 [0,1,1,0,0,0|2,0,0]=4 954 B17R2.346 Brc1ccc(cc1)CC=NNC2CCSC2 4a_200000731317_100011361690 [0,1,1,0,0,0|1,0,1]=4 955 B17R2.346 Brc1ccc(cc1)CCCCN2CCSC2 2230a_100011215254_200012094861 [0,1,1,0,0,0|2,0,0]=4 956 B17R2.346 Brc1ccc(cc1)CCCCN2CCSC2 269982a_100011215254_200012094861 [0,1,1,0,0,0|2,0,0]=4 957 B17R2.346 Brc1ccc(cc1)CCCNC2CC=CC2 2230a_100015188752_100011713682 [0,1,1,0,0,0|1,0,1]=4 958 B17R2.346 Brc1ccc(cc1)CCCNC2CCCC2 2230a_100000211070_100011713682 [0,1,1,0,0,0|1,0,0]=3 959 B17R2.346 Brc1ccc(cc1)CCCNC2CCCC2 2230a_100011297623_100000179811 [0,1,1,0,0,0|1,0,0]=3 960 B17R2.346 Brc1ccc(cc1)CCCNC2CCCC2 270004a_100011297623_100000210133 [0,1,1,0,0,0|1,0,0]=3 961 B17R2.346 Brc1ccc(cc1)CCCNC2CCCC2 34a_100000211070_100011713682 [0,1,1,0,0,0|1,0,0]=3 962 B17R2.346 Brc1ccc(cc1)CCCNC2CCCC2 34a_100011297623_100000179811 [0,1,1,0,0,0|1,0,0]=3 963 B17R2.346 Brc1ccc(cc1)CCCNC2CCOC2 2230a_100011297623_100000731011 [0,1,1,0,0,0|0,1,0]=3 964 B17R2.346 Brc1ccc(cc1)CCCNC2CCOC2 270004a_100011297623_100000752484 [0,1,1,0,0,0|0,1,0]=3 965 B17R2.346 Brc1ccc(cc1)CCCNC2CCOC2 34a_100011297623_100000690089 [0,1,1,0,0,0|0,1,0]=3 966 B17R2.346 Brc1ccc(cc1)CCCNC2CCSC2 270004a_100011297623_100000212027 [0,1,1,0,0,0|0,0,0]=2 967 B17R2.346 Brc1ccc(cc1)CCCN[C@@H]2CCOC2 2230a_200015188469_100011713682 [0,1,1,0,0,0|0,1,0]=3 968 B17R2.346 Brc1ccc(cc1)CCCN[C@H]2CCOC2 2230a_100015188467_100011713682 [0,1,1,0,0,0|0,1,0]=3 969 B17R2.346 Brc1ccc(cc1)CCCN[C@H]2CCOC2 34a_100015188467_100011713682 [0,1,1,0,0,0|0,1,0]=3 970 B17R2.346 Brc1ccc(cc1)CCCOC2CCCC2 34a_100000210269_100011713682 [0,1,1,0,0,0|2,0,0]=4 971 B17R2.346 Brc1ccc(cc1)CCCOC2CCCC2 34a_100011709247_100000179811 [0,1,1,0,0,0|2,0,0]=4 972 B17R2.346 Brc1ccc(cc1)CCCOC2CCCC2 7a_100000210269_100011713682 [0,1,1,0,0,0|2,0,0]=4 973 B17R2.346 Brc1ccc(cc1)CCCOC2CCCC2 7a_100011709247_100000179811 [0,1,1,0,0,0|2,0,0]=4 974 B17R2.346 Brc1ccc(cc1)CCCOC2CCOC2 34a_100011709247_100000690089 [0,1,1,0,0,0|1,1,0]=4 975 B17R2.346 Brc1ccc(cc1)CCCOC2CCOC2 7a_100011709247_100000731011 [0,1,1,0,0,0|1,1,0]=4 976 B17R2.346 Brc1ccc(cc1)CCCOC2CCSC2 7a_100011232664_100011713682 [0,1,1,0,0,0|1,0,0]=3 977 B17R2.346 Brc1ccc(cc1)CCCO[C@H]2CCOC2 34a_100000717292_100011713682 [0,1,1,0,0,0|1,1,0]=4 978 B17R2.346 Brc1ccc(cc1)CCCSC2CCCC2 62a_100011217020_100011713682 [0,1,1,0,0,0|2,0,0]=4 979 B17R2.346 Brc1ccc(cc1)CCCSC2CCCC2 62a_100011713682_100000179811 [0,1,1,0,0,0|2,0,0]=4 980 B17R2.346 Brc1ccc(cc1)CCCSC2CCOC2 62a_100011713682_100000690089 [0,1,1,0,0,0|1,1,0]=4 981 B17R2.346 Brc1ccc(cc1)OCCNC2CCCC2 2230a_100000211070_100000183278 [0,1,1,0,0,0|2,0,0]=4 982 B17R2.346 Brc1ccc(cc1)OCCNC2CCCC2 2230a_100000746992_100000179811 [0,1,1,0,0,0|2,0,0]=4 983 B17R2.346 Brc1ccc(cc1)OCCNC2CCCC2 270004a_100000746992_100000210133 [0,1,1,0,0,0|2,0,0]=4 984 B17R2.346 Brc1ccc(cc1)OCCNC2CCCC2 34a_100000211070_100000183278 [0,1,1,0,0,0|2,0,0]=4 985 B17R2.346 Brc1ccc(cc1)OCCNC2CCCC2 34a_100000746992_100000179811 [0,1,1,0,0,0|2,0,0]=4 986 B17R2.346 Brc1ccc(cc1)OCCNC2CCOC2 2230a_100000746992_100000731011 [0,1,1,0,0,0|1,1,0]=4 987 B17R2.346 Brc1ccc(cc1)OCCNC2CCOC2 270004a_100000746992_100000752484 [0,1,1,0,0,0|1,1,0]=4 988 B17R2.346 Brc1ccc(cc1)OCCNC2CCOC2 34a_100000746992_100000690089 [0,1,1,0,0,0|1,1,0]=4 989 B17R2.346 Brc1ccc(cc1)OCCNC2CCSC2 270004a_100000746992_100000212027 [0,1,1,0,0,0|1,0,0]=3 990 B17R2.346 Brc1ccc(cc1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000183278 [0,1,1,0,0,0|1,1,0]=4 991 B17R2.346 Brc1ccc(cc1)OCCN[C@H]2CCOC2 2230a_100015188467_100000183278 [0,1,1,0,0,0|1,1,0]=4 992 B17R2.346 Brc1ccc(cc1)OCCN[C@H]2CCOC2 34a_100015188467_100000183278 [0,1,1,0,0,0|1,1,0]=4 993 B17R2.346 Brc1ccc(cc1)OCCOC2CCSC2 7a_100011232664_100000183278 [0,1,1,0,0,0|2,0,0]=4 994 B17R2.346 Brc1ccc(cc1)SCCNC2CCCC2 2230a_100000184645_100000179811 [0,1,1,0,0,0|2,0,0]=4 995 B17R2.346 Brc1ccc(cc1)SCCNC2CCCC2 270004a_100000184645_100000210133 [0,1,1,0,0,0|2,0,0]=4 996 B17R2.346 Brc1ccc(cc1)SCCNC2CCOC2 2230a_100000184645_100000731011 [0,1,1,0,0,0|1,1,0]=4 997 B17R2.346 Brc1ccc(cc1)SCCNC2CCOC2 270004a_100000184645_100000752484 [0,1,1,0,0,0|1,1,0]=4 998 B17R2.346 Brc1ccc(cc1)SCCNC2CCSC2 270004a_100000184645_100000212027 [0,1,1,0,0,0|1,0,0]=3 999 B17R2.346 Cc1ccc(cc1)CC=NNC2CCSC2 4a_200000731317_100011361684 [0,1,1,0,0,0|1,0,1]=4 1000 B17R2.346 Cc1ccc(cc1)CCCNC2CCCC2 2230a_100011236272_100000179811 [0,1,1,0,0,0|1,0,0]=3 1001 B17R2.346 Cc1ccc(cc1)CCCNC2CCCC2 270004a_100011236272_100000210133 [0,1,1,0,0,0|1,0,0]=3 1002 B17R2.346 Cc1ccc(cc1)CCCNC2CCCC2 34a_100011236272_100000179811 [0,1,1,0,0,0|1,0,0]=3 1003 B17R2.346 Cc1ccc(cc1)CCCNC2CCOC2 2230a_100011236272_100000731011 [0,1,1,0,0,0|0,1,0]=3 1004 B17R2.346 Cc1ccc(cc1)CCCNC2CCOC2 270004a_100011236272_100000752484 [0,1,1,0,0,0|0,1,0]=3 1005 B17R2.346 Cc1ccc(cc1)CCCNC2CCOC2 34a_100011236272_100000690089 [0,1,1,0,0,0|0,1,0]=3 1006 B17R2.346 Cc1ccc(cc1)CCCNC2CCSC2 270004a_100011236272_100000212027 [0,1,1,0,0,0|0,0,0]=2 1007 B17R2.346 Cc1ccc(cc1)CCCOC2CCCC2 34a_100000189427_100000179811 [0,1,1,0,0,0|2,0,0]=4 1008 B17R2.346 Cc1ccc(cc1)CCCOC2CCCC2 7a_100000189427_100000179811 [0,1,1,0,0,0|2,0,0]=4 1009 B17R2.346 Cc1ccc(cc1)CCCOC2CCOC2 34a_100000189427_100000690089 [0,1,1,0,0,0|1,1,0]=4 1010 B17R2.346 Cc1ccc(cc1)CCCOC2CCOC2 7a_100000189427_100000731011 [0,1,1,0,0,0|1,1,0]=4 1011 B17R2.346 Cc1ccc(cc1)OCCNC2CCCC2 2230a_100000211070_100000183172 [0,1,1,0,0,0|2,0,0]=4 1012 B17R2.346 Cc1ccc(cc1)OCCNC2CCCC2 2230a_100020666663_100000179811 [0,1,1,0,0,0|2,0,0]=4 1013 B17R2.346 Cc1ccc(cc1)OCCNC2CCCC2 270004a_100020666663_100000210133 [0,1,1,0,0,0|2,0,0]=4 1014 B17R2.346 Cc1ccc(cc1)OCCNC2CCCC2 34a_100000211070_100000183172 [0,1,1,0,0,0|2,0,0]=4 1015 B17R2.346 Cc1ccc(cc1)OCCNC2CCCC2 34a_100020666663_100000179811 [0,1,1,0,0,0|2,0,0]=4 1016 B17R2.346 Cc1ccc(cc1)OCCNC2CCOC2 2230a_100020666663_100000731011 [0,1,1,0,0,0|1,1,0]=4 1017 B17R2.346 Cc1ccc(cc1)OCCNC2CCOC2 270004a_100020666663_100000752484 [0,1,1,0,0,0|1,1,0]=4 1018 B17R2.346 Cc1ccc(cc1)OCCNC2CCOC2 34a_100020666663_100000690089 [0,1,1,0,0,0|1,1,0]=4 1019 B17R2.346 Cc1ccc(cc1)OCCNC2CCSC2 270004a_100020666663_100000212027 [0,1,1,0,0,0|1,0,0]=3 1020 B17R2.346 Cc1ccc(cc1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000183172 [0,1,1,0,0,0|1,1,0]=4 1021 B17R2.346 Cc1ccc(cc1)OCCN[C@H]2CCOC2 2230a_100015188467_100000183172 [0,1,1,0,0,0|1,1,0]=4 1022 B17R2.346 Cc1ccc(cc1)OCCN[C@H]2CCOC2 34a_100015188467_100000183172 [0,1,1,0,0,0|1,1,0]=4 1023 B17R2.346 Cc1ccc(cc1)OCCOC2CCSC2 7a_100011232664_100000183172 [0,1,1,0,0,0|2,0,0]=4 1024 B17R2.346 Cc1ccc(cc1)SCCNC2CCCC2 2230a_100000739754_100000179811 [0,1,1,0,0,0|2,0,0]=4 1025 B17R2.346 Cc1ccc(cc1)SCCNC2CCCC2 270004a_100000739754_100000210133 [0,1,1,0,0,0|2,0,0]=4 1026 B17R2.346 Cc1ccc(cc1)SCCNC2CCOC2 2230a_100000739754_100000731011 [0,1,1,0,0,0|1,1,0]=4 1027 B17R2.346 Cc1ccc(cc1)SCCNC2CCOC2 270004a_100000739754_100000752484 [0,1,1,0,0,0|1,1,0]=4 1028 B17R2.346 Cc1ccc(cc1)SCCNC2CCSC2 270004a_100000739754_100000212027 [0,1,1,0,0,0|1,0,0]=3 1029 B17R2.346 Clc1ccc(cc1)CC=NNC2CCSC2 4a_200000731317_100000730895 [0,1,1,0,0,0|1,0,1]=4 1030 B17R2.346 Clc1ccc(cc1)CCCNC2CC=CC2 2230a_100015188752_100000759440 [0,1,1,0,0,0|1,0,1]=4 1031 B17R2.346 Clc1ccc(cc1)CCCNC2CCCC2 2230a_100000211070_100000759440 [0,1,1,0,0,0|1,0,0]=3 1032 B17R2.346 Clc1ccc(cc1)CCCNC2CCCC2 2230a_100000748451_100000179811 [0,1,1,0,0,0|1,0,0]=3 1033 B17R2.346 Clc1ccc(cc1)CCCNC2CCCC2 270004a_100000748451_100000210133 [0,1,1,0,0,0|1,0,0]=3 1034 B17R2.346 Clc1ccc(cc1)CCCNC2CCCC2 34a_100000211070_100000759440 [0,1,1,0,0,0|1,0,0]=3 1035 B17R2.346 Clc1ccc(cc1)CCCNC2CCCC2 34a_100000748451_100000179811 [0,1,1,0,0,0|1,0,0]=3 1036 B17R2.346 Clc1ccc(cc1)CCCNC2CCOC2 2230a_100000748451_100000731011 [0,1,1,0,0,0|0,1,0]=3 1037 B17R2.346 Clc1ccc(cc1)CCCNC2CCOC2 270004a_100000748451_100000752484 [0,1,1,0,0,0|0,1,0]=3 1038 B17R2.346 Clc1ccc(cc1)CCCNC2CCOC2 34a_100000748451_100000690089 [0,1,1,0,0,0|0,1,0]=3 1039 B17R2.346 Clc1ccc(cc1)CCCNC2CCSC2 270004a_100000748451_100000212027 [0,1,1,0,0,0|0,0,0]=2 1040 B17R2.346 Clc1ccc(cc1)CCCN[C@@H]2CCOC2 2230a_200015188469_100000759440 [0,1,1,0,0,0|0,1,0]=3 1041 B17R2.346 Clc1ccc(cc1)CCCN[C@H]2CCOC2 2230a_100015188467_100000759440 [0,1,1,0,0,0|0,1,0]=3 1042 B17R2.346 Clc1ccc(cc1)CCCN[C@H]2CCOC2 34a_100015188467_100000759440 [0,1,1,0,0,0|0,1,0]=3 1043 B17R2.346 Clc1ccc(cc1)CCCOC2CCCC2 34a_100000210269_100000759440 [0,1,1,0,0,0|2,0,0]=4 1044 B17R2.346 Clc1ccc(cc1)CCCOC2CCCC2 34a_100011217485_100000179811 [0,1,1,0,0,0|2,0,0]=4 1045 B17R2.346 Clc1ccc(cc1)CCCOC2CCCC2 7a_100000210269_100000759440 [0,1,1,0,0,0|2,0,0]=4 1046 B17R2.346 Clc1ccc(cc1)CCCOC2CCCC2 7a_100011217485_100000179811 [0,1,1,0,0,0|2,0,0]=4 1047 B17R2.346 Clc1ccc(cc1)CCCOC2CCOC2 34a_100011217485_100000690089 [0,1,1,0,0,0|1,1,0]=4 1048 B17R2.346 Clc1ccc(cc1)CCCOC2CCOC2 7a_100011217485_100000731011 [0,1,1,0,0,0|1,1,0]=4 1049 B17R2.346 Clc1ccc(cc1)CCCOC2CCSC2 7a_100011232664_100000759440 [0,1,1,0,0,0|1,0,0]=3 1050 B17R2.346 Clc1ccc(cc1)CCCO[C@H]2CCOC2 34a_100000717292_100000759440 [0,1,1,0,0,0|1,1,0]=4 1051 B17R2.346 Clc1ccc(cc1)CCCSC2CCCC2 62a_100000759440_100000179811 [0,1,1,0,0,0|2,0,0]=4 1052 B17R2.346 Clc1ccc(cc1)CCCSC2CCCC2 62a_100011217020_100000759440 [0,1,1,0,0,0|2,0,0]=4 1053 B17R2.346 Clc1ccc(cc1)CCCSC2CCOC2 62a_100000759440_100000690089 [0,1,1,0,0,0|1,1,0]=4 1054 B17R2.346 Clc1ccc(cc1)OCCNC2CCCC2 2230a_100000211070_100000184122 [0,1,1,0,0,0|2,0,0]=4 1055 B17R2.346 Clc1ccc(cc1)OCCNC2CCCC2 2230a_100000697975_100000179811 [0,1,1,0,0,0|2,0,0]=4 1056 B17R2.346 Clc1ccc(cc1)OCCNC2CCCC2 270004a_100000697975_100000210133 [0,1,1,0,0,0|2,0,0]=4 1057 B17R2.346 Clc1ccc(cc1)OCCNC2CCCC2 34a_100000211070_100000184122 [0,1,1,0,0,0|2,0,0]=4 1058 B17R2.346 Clc1ccc(cc1)OCCNC2CCCC2 34a_100000697975_100000179811 [0,1,1,0,0,0|2,0,0]=4 1059 B17R2.346 Clc1ccc(cc1)OCCNC2CCOC2 2230a_100000697975_100000731011 [0,1,1,0,0,0|1,1,0]=4 1060 B17R2.346 Clc1ccc(cc1)OCCNC2CCOC2 270004a_100000697975_100000752484 [0,1,1,0,0,0|1,1,0]=4 1061 B17R2.346 Clc1ccc(cc1)OCCNC2CCOC2 34a_100000697975_100000690089 [0,1,1,0,0,0|1,1,0]=4 1062 B17R2.346 Clc1ccc(cc1)OCCNC2CCSC2 270004a_100000697975_100000212027 [0,1,1,0,0,0|1,0,0]=3 1063 B17R2.346 Clc1ccc(cc1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000184122 [0,1,1,0,0,0|1,1,0]=4 1064 B17R2.346 Clc1ccc(cc1)OCCN[C@H]2CCOC2 2230a_100015188467_100000184122 [0,1,1,0,0,0|1,1,0]=4 1065 B17R2.346 Clc1ccc(cc1)OCCN[C@H]2CCOC2 34a_100015188467_100000184122 [0,1,1,0,0,0|1,1,0]=4 1066 B17R2.346 Clc1ccc(cc1)OCCOC2CCSC2 7a_100011232664_100000184122 [0,1,1,0,0,0|2,0,0]=4 1067 B17R2.346 Clc1ccc(cc1)SCCNC2CCCC2 2230a_100000174974_100000179811 [0,1,1,0,0,0|2,0,0]=4 1068 B17R2.346 Clc1ccc(cc1)SCCNC2CCCC2 270004a_100000174974_100000210133 [0,1,1,0,0,0|2,0,0]=4 1069 B17R2.346 Clc1ccc(cc1)SCCNC2CCOC2 2230a_100000174974_100000731011 [0,1,1,0,0,0|1,1,0]=4 1070 B17R2.346 Clc1ccc(cc1)SCCNC2CCOC2 270004a_100000174974_100000752484 [0,1,1,0,0,0|1,1,0]=4 1071 B17R2.346 Clc1ccc(cc1)SCCNC2CCSC2 270004a_100000174974_100000212027 [0,1,1,0,0,0|1,0,0]=3 1072 B17R2.346 Fc1ccc(cc1)CC=NNC2CCSC2 4a_200000731317_100000684651 [0,1,1,0,0,0|1,0,1]=4 1073 B17R2.346 Fc1ccc(cc1)CCCCN2CCSC2 2230a_100011215254_100012093538 [0,1,1,0,0,0|2,0,0]=4 1074 B17R2.346 Fc1ccc(cc1)CCCCN2CCSC2 269982a_100011215254_100012093538 [0,1,1,0,0,0|2,0,0]=4 1075 B17R2.346 Fc1ccc(cc1)CCCNC2CC=CC2 2230a_100015188752_200011713563 [0,1,1,0,0,0|1,0,1]=4 1076 B17R2.346 Fc1ccc(cc1)CCCNC2CCCC2 2230a_100000211070_200011713563 [0,1,1,0,0,0|1,0,0]=3 1077 B17R2.346 Fc1ccc(cc1)CCCNC2CCCC2 2230a_100025745824_100000179811 [0,1,1,0,0,0|1,0,0]=3 1078 B17R2.346 Fc1ccc(cc1)CCCNC2CCCC2 270004a_100025745824_100000210133 [0,1,1,0,0,0|1,0,0]=3 1079 B17R2.346 Fc1ccc(cc1)CCCNC2CCCC2 34a_100000211070_200011713563 [0,1,1,0,0,0|1,0,0]=3 1080 B17R2.346 Fc1ccc(cc1)CCCNC2CCCC2 34a_100025745824_100000179811 [0,1,1,0,0,0|1,0,0]=3 1081 B17R2.346 Fc1ccc(cc1)CCCNC2CCOC2 2230a_100025745824_100000731011 [0,1,1,0,0,0|0,1,0]=3 1082 B17R2.346 Fc1ccc(cc1)CCCNC2CCOC2 270004a_100025745824_100000752484 [0,1,1,0,0,0|0,1,0]=3 1083 B17R2.346 Fc1ccc(cc1)CCCNC2CCOC2 34a_100025745824_100000690089 [0,1,1,0,0,0|0,1,0]=3 1084 B17R2.346 Fc1ccc(cc1)CCCNC2CCSC2 270004a_100025745824_100000212027 [0,1,1,0,0,0|0,0,0]=2 1085 B17R2.346 Fc1ccc(cc1)CCCN[C@@H]2CCOC2 2230a_200015188469_200011713563 [0,1,1,0,0,0|0,1,0]=3 1086 B17R2.346 Fc1ccc(cc1)CCCN[C@H]2CCOC2 2230a_100015188467_200011713563 [0,1,1,0,0,0|0,1,0]=3 1087 B17R2.346 Fc1ccc(cc1)CCCN[C@H]2CCOC2 34a_100015188467_200011713563 [0,1,1,0,0,0|0,1,0]=3 1088 B17R2.346 Fc1ccc(cc1)CCCOC2CCCC2 34a_100000210269_200011713563 [0,1,1,0,0,0|2,0,0]=4 1089 B17R2.346 Fc1ccc(cc1)CCCOC2CCCC2 34a_100000757351_100000179811 [0,1,1,0,0,0|2,0,0]=4 1090 B17R2.346 Fc1ccc(cc1)CCCOC2CCCC2 7a_100000210269_200011713563 [0,1,1,0,0,0|2,0,0]=4 1091 B17R2.346 Fc1ccc(cc1)CCCOC2CCCC2 7a_100000757351_100000179811 [0,1,1,0,0,0|2,0,0]=4 1092 B17R2.346 Fc1ccc(cc1)CCCOC2CCOC2 34a_100000757351_100000690089 [0,1,1,0,0,0|1,1,0]=4 1093 B17R2.346 Fc1ccc(cc1)CCCOC2CCOC2 7a_100000757351_100000731011 [0,1,1,0,0,0|1,1,0]=4 1094 B17R2.346 Fc1ccc(cc1)CCCOC2CCSC2 7a_100011232664_200011713563 [0,1,1,0,0,0|1,0,0]=3 1095 B17R2.346 Fc1ccc(cc1)CCCO[C@H]2CCOC2 34a_100000717292_200011713563 [0,1,1,0,0,0|1,1,0]=4 1096 B17R2.346 Fc1ccc(cc1)CCCSC2CCCC2 62a_100011217020_200011713563 [0,1,1,0,0,0|2,0,0]=4 1097 B17R2.346 Fc1ccc(cc1)CCCSC2CCCC2 62a_200011713563_100000179811 [0,1,1,0,0,0|2,0,0]=4 1098 B17R2.346 Fc1ccc(cc1)CCCSC2CCOC2 62a_200011713563_100000690089 [0,1,1,0,0,0|1,1,0]=4 1099 B17R2.346 Fc1ccc(cc1)OCCNC2CCCC2 2230a_100000211070_100000184936 [0,1,1,0,0,0|2,0,0]=4 1100 B17R2.346 Fc1ccc(cc1)OCCNC2CCCC2 2230a_100000737420_100000179811 [0,1,1,0,0,0|2,0,0]=4 1101 B17R2.346 Fc1ccc(cc1)OCCNC2CCCC2 270004a_100000737420_100000210133 [0,1,1,0,0,0|2,0,0]=4 1102 B17R2.346 Fc1ccc(cc1)OCCNC2CCCC2 34a_100000211070_100000184936 [0,1,1,0,0,0|2,0,0]=4 1103 B17R2.346 Fc1ccc(cc1)OCCNC2CCCC2 34a_100000737420_100000179811 [0,1,1,0,0,0|2,0,0]=4 1104 B17R2.346 Fc1ccc(cc1)OCCNC2CCOC2 2230a_100000737420_100000731011 [0,1,1,0,0,0|1,1,0]=4 1105 B17R2.346 Fc1ccc(cc1)OCCNC2CCOC2 270004a_100000737420_100000752484 [0,1,1,0,0,0|1,1,0]=4 1106 B17R2.346 Fc1ccc(cc1)OCCNC2CCOC2 34a_100000737420_100000690089 [0,1,1,0,0,0|1,1,0]=4 1107 B17R2.346 Fc1ccc(cc1)OCCNC2CCSC2 270004a_100000737420_100000212027 [0,1,1,0,0,0|1,0,0]=3 1108 B17R2.346 Fc1ccc(cc1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000184936 [0,1,1,0,0,0|1,1,0]=4 1109 B17R2.346 Fc1ccc(cc1)OCCN[C@H]2CCOC2 2230a_100015188467_100000184936 [0,1,1,0,0,0|1,1,0]=4 1110 B17R2.346 Fc1ccc(cc1)OCCN[C@H]2CCOC2 34a_100015188467_100000184936 [0,1,1,0,0,0|1,1,0]=4 1111 B17R2.346 Fc1ccc(cc1)OCCOC2CCSC2 7a_100011232664_100000184936 [0,1,1,0,0,0|2,0,0]=4 1112 B17R2.3230 CC1CCC(C1)NCCCc2ccccc2 270004a_100000211184_100011215218 [0,1,1,0,0,0|1,0,0]=3 1113 B17R2.3230 CC1CCC(C1)NCCCc2ccccn2 270004a_100000689020_100011215218 [0,1,1,0,0,0|2,0,0]=4 1114 B17R2.3230 CC1CCC(C1)NCCCc2cccnc2 270004a_100011532358_100011215218 [0,1,1,0,0,0|2,0,0]=4 1115 B17R2.3230 CC1CCC(C1)NCCCc2ccncc2 270004a_100011275580_100011215218 [0,1,1,0,0,0|2,0,0]=4 1116 B17R2.3230 CC1CCC(C1)NCCOc2ccccc2 270004a_100000174943_100011215218 [0,1,1,0,0,0|2,0,0]=4 1117 B17R2.3230 CC1CCC(C1)NCCSc2ccccc2 270004a_100000189519_100011215218 [0,1,1,0,0,0|2,0,0]=4 1118 B17R2.3230 CC1CCC(C1)OCCCc2ccccc2 34a_100000698185_100000211621 [0,1,1,0,0,0|2,0,0]=4 1119 B17R2.3230 CN1CCC(C1)NCCOc2ccccc2 270004a_100000744687_100000758736 [0,1,1,0,0,0|2,0,0]=4 1120 B17R2.3230 CN1CCC(C1)OCCCc2ccccc2 7a_100000210828_200012183744 [0,1,1,0,0,0|2,0,0]=4 1121 B17R2.3230 CN1CCC(C1)SCCCc2ccccc2 62a_100000211621_200012183744 [0,1,1,0,0,0|2,0,0]=4 1122 B17R2.3230 O=C1CC(CN1)NCCCc2ccccc2 2230a_100000697751_100000211621 [0,1,1,0,0,0|1,0,1]=4 1123 B17R2.3230 O=C1CCC(C1)OCCCc2ccccc2 34a_100012614533_100000211621 [0,1,1,0,0,0|2,0,0]=4 1124 B17R2.3230 OC1CCC(C1)NCCCc2ccccc2 270004a_100000211184_100012614533 [0,1,1,0,0,0|1,0,0]=3 1125 B17R2.3230 OC1CCC(C1)NCCCc2ccccn2 270004a_100000689020_100012614533 [0,1,1,0,0,0|2,0,0]=4 1126 B17R2.3230 OC1CCC(C1)NCCCc2cccnc2 270004a_100011532358_100012614533 [0,1,1,0,0,0|2,0,0]=4 1127 B17R2.3230 OC1CCC(C1)NCCCc2ccncc2 270004a_100011275580_100012614533 [0,1,1,0,0,0|2,0,0]=4 1128 B17R2.3230 OC1CCC(C1)NCCOc2ccccc2 270004a_100000174943_100012614533 [0,1,1,0,0,0|2,0,0]=4 1129 B17R2.3230 OC1CCC(C1)NCCSc2ccccc2 270004a_100000189519_100012614533 [0,1,1,0,0,0|2,0,0]=4 1130 B17R2.3230 O[C@@H]1CC[C@@H](C1)NCCCc2ccccc2 2230a_100015195300_100000211621 [0,1,1,0,0,0|1,0,0]=3 1131 B17R2.3230 O[C@@H]1CC[C@@H](C1)NCCOc2ccccc2 2230a_100015195300_100000184471 [0,1,1,0,0,0|2,0,0]=4 1132 B17R2.3230 O[C@@H]1CC[C@@H](C1)NCCOc2ccccc2 270004a_100015195300_100000758736 [0,1,1,0,0,0|2,0,0]=4 1133 B17R2.3230 O[C@@H]1CC[C@@H](C1)NCCSc2ccccc2 2230a_100015195300_100000246102 [0,1,1,0,0,0|2,0,0]=4 1134 B17R2.3230 O[C@@H]1CC[C@@H](C1)NCOCc2ccccc2 2230a_100015195300_100000763385 [0,1,1,0,0,0|2,0,0]=4 1135 B17R2.3230 O[C@@H]1CC[C@@H](C1)NCSCc2ccccc2 2230a_100015195300_200011217039 [0,1,1,0,0,0|2,0,0]=4 1136 B17R2.3366 Brc1cccc(c1)CC=NNC2CCSC2 4a_200000731317_200000698211 [0,1,1,0,0,0|1,0,1]=4 1137 B17R2.3366 Brc1cccc(c1)CCCNC2CC=CC2 2230a_100015188752_100011713683 [0,1,1,0,0,0|1,0,1]=4 1138 B17R2.3366 Brc1cccc(c1)CCCNC2CCCC2 2230a_100000211070_100011713683 [0,1,1,0,0,0|1,0,0]=3 1139 B17R2.3366 Brc1cccc(c1)CCCNC2CCCC2 2230a_100000753791_100000179811 [0,1,1,0,0,0|1,0,0]=3 1140 B17R2.3366 Brc1cccc(c1)CCCNC2CCCC2 270004a_100000753791_100000210133 [0,1,1,0,0,0|1,0,0]=3 1141 B17R2.3366 Brc1cccc(c1)CCCNC2CCCC2 34a_100000211070_100011713683 [0,1,1,0,0,0|1,0,0]=3 1142 B17R2.3366 Brc1cccc(c1)CCCNC2CCCC2 34a_100000753791_100000179811 [0,1,1,0,0,0|1,0,0]=3 1143 B17R2.3366 Brc1cccc(c1)CCCNC2CCOC2 2230a_100000753791_100000731011 [0,1,1,0,0,0|0,1,0]=3 1144 B17R2.3366 Brc1cccc(c1)CCCNC2CCOC2 270004a_100000753791_100000752484 [0,1,1,0,0,0|0,1,0]=3 1145 B17R2.3366 Brc1cccc(c1)CCCNC2CCOC2 34a_100000753791_100000690089 [0,1,1,0,0,0|0,1,0]=3 1146 B17R2.3366 Brc1cccc(c1)CCCNC2CCSC2 270004a_100000753791_100000212027 [0,1,1,0,0,0|0,0,0]=2 1147 B17R2.3366 Brc1cccc(c1)CCCN[C@@H]2CCOC2 2230a_200015188469_100011713683 [0,1,1,0,0,0|0,1,0]=3 1148 B17R2.3366 Brc1cccc(c1)CCCN[C@H]2CCOC2 2230a_100015188467_100011713683 [0,1,1,0,0,0|0,1,0]=3 1149 B17R2.3366 Brc1cccc(c1)CCCN[C@H]2CCOC2 34a_100015188467_100011713683 [0,1,1,0,0,0|0,1,0]=3 1150 B17R2.3366 Brc1cccc(c1)CCCOC2CCCC2 34a_100000210269_100011713683 [0,1,1,0,0,0|2,0,0]=4 1151 B17R2.3366 Brc1cccc(c1)CCCOC2CCCC2 34a_100011709248_100000179811 [0,1,1,0,0,0|2,0,0]=4 1152 B17R2.3366 Brc1cccc(c1)CCCOC2CCCC2 7a_100000210269_100011713683 [0,1,1,0,0,0|2,0,0]=4 1153 B17R2.3366 Brc1cccc(c1)CCCOC2CCCC2 7a_100011709248_100000179811 [0,1,1,0,0,0|2,0,0]=4 1154 B17R2.3366 Brc1cccc(c1)CCCOC2CCOC2 34a_100011709248_100000690089 [0,1,1,0,0,0|1,1,0]=4 1155 B17R2.3366 Brc1cccc(c1)CCCOC2CCOC2 7a_100011709248_100000731011 [0,1,1,0,0,0|1,1,0]=4 1156 B17R2.3366 Brc1cccc(c1)CCCOC2CCSC2 7a_100011232664_100011713683 [0,1,1,0,0,0|1,0,0]=3 1157 B17R2.3366 Brc1cccc(c1)CCCO[C@H]2CCOC2 34a_100000717292_100011713683 [0,1,1,0,0,0|1,1,0]=4 1158 B17R2.3366 Brc1cccc(c1)CCCSC2CCCC2 62a_100011217020_100011713683 [0,1,1,0,0,0|2,0,0]=4 1159 B17R2.3366 Brc1cccc(c1)CCCSC2CCCC2 62a_100011713683_100000179811 [0,1,1,0,0,0|2,0,0]=4 1160 B17R2.3366 Brc1cccc(c1)CCCSC2CCOC2 62a_100011713683_100000690089 [0,1,1,0,0,0|1,1,0]=4 1161 B17R2.3366 Brc1cccc(c1)OCCNC2CCCC2 2230a_100000211070_100000183150 [0,1,1,0,0,0|2,0,0]=4 1162 B17R2.3366 Brc1cccc(c1)OCCNC2CCCC2 2230a_100000743521_100000179811 [0,1,1,0,0,0|2,0,0]=4 1163 B17R2.3366 Brc1cccc(c1)OCCNC2CCCC2 270004a_100000743521_100000210133 [0,1,1,0,0,0|2,0,0]=4 1164 B17R2.3366 Brc1cccc(c1)OCCNC2CCCC2 34a_100000211070_100000183150 [0,1,1,0,0,0|2,0,0]=4 1165 B17R2.3366 Brc1cccc(c1)OCCNC2CCCC2 34a_100000743521_100000179811 [0,1,1,0,0,0|2,0,0]=4 1166 B17R2.3366 Brc1cccc(c1)OCCNC2CCOC2 2230a_100000743521_100000731011 [0,1,1,0,0,0|1,1,0]=4 1167 B17R2.3366 Brc1cccc(c1)OCCNC2CCOC2 270004a_100000743521_100000752484 [0,1,1,0,0,0|1,1,0]=4 1168 B17R2.3366 Brc1cccc(c1)OCCNC2CCOC2 34a_100000743521_100000690089 [0,1,1,0,0,0|1,1,0]=4 1169 B17R2.3366 Brc1cccc(c1)OCCNC2CCSC2 270004a_100000743521_100000212027 [0,1,1,0,0,0|1,0,0]=3 1170 B17R2.3366 Brc1cccc(c1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000183150 [0,1,1,0,0,0|1,1,0]=4 1171 B17R2.3366 Brc1cccc(c1)OCCN[C@H]2CCOC2 2230a_100015188467_100000183150 [0,1,1,0,0,0|1,1,0]=4 1172 B17R2.3366 Brc1cccc(c1)OCCN[C@H]2CCOC2 34a_100015188467_100000183150 [0,1,1,0,0,0|1,1,0]=4 1173 B17R2.3366 Brc1cccc(c1)OCCOC2CCSC2 7a_100011232664_100000183150 [0,1,1,0,0,0|2,0,0]=4 1174 B17R2.3366 Cc1cccc(c1)CCCNC2CCCC2 2230a_103496528808_100000179811 [0,1,1,0,0,0|1,0,0]=3 1175 B17R2.3366 Cc1cccc(c1)CCCNC2CCCC2 270004a_103496528808_100000210133 [0,1,1,0,0,0|1,0,0]=3 1176 B17R2.3366 Cc1cccc(c1)CCCNC2CCCC2 34a_103496528808_100000179811 [0,1,1,0,0,0|1,0,0]=3 1177 B17R2.3366 Cc1cccc(c1)CCCNC2CCOC2 2230a_103496528808_100000731011 [0,1,1,0,0,0|0,1,0]=3 1178 B17R2.3366 Cc1cccc(c1)CCCNC2CCOC2 270004a_103496528808_100000752484 [0,1,1,0,0,0|0,1,0]=3 1179 B17R2.3366 Cc1cccc(c1)CCCNC2CCOC2 34a_103496528808_100000690089 [0,1,1,0,0,0|0,1,0]=3 1180 B17R2.3366 Cc1cccc(c1)CCCNC2CCSC2 270004a_103496528808_100000212027 [0,1,1,0,0,0|0,0,0]=2 1181 B17R2.3366 Cc1cccc(c1)OCCNC2CCCC2 2230a_100015185188_100000179811 [0,1,1,0,0,0|2,0,0]=4 1182 B17R2.3366 Cc1cccc(c1)OCCNC2CCCC2 270004a_100015185188_100000210133 [0,1,1,0,0,0|2,0,0]=4 1183 B17R2.3366 Cc1cccc(c1)OCCNC2CCCC2 34a_100015185188_100000179811 [0,1,1,0,0,0|2,0,0]=4 1184 B17R2.3366 Cc1cccc(c1)OCCNC2CCOC2 2230a_100015185188_100000731011 [0,1,1,0,0,0|1,1,0]=4 1185 B17R2.3366 Cc1cccc(c1)OCCNC2CCOC2 270004a_100015185188_100000752484 [0,1,1,0,0,0|1,1,0]=4 1186 B17R2.3366 Cc1cccc(c1)OCCNC2CCOC2 34a_100015185188_100000690089 [0,1,1,0,0,0|1,1,0]=4 1187 B17R2.3366 Cc1cccc(c1)OCCNC2CCSC2 270004a_100015185188_100000212027 [0,1,1,0,0,0|1,0,0]=3 1188 B17R2.3366 Clc1cccc(c1)CC=NNC2CCSC2 4a_200000731317_100000765889 [0,1,1,0,0,0|1,0,1]=4 1189 B17R2.3366 Clc1cccc(c1)CCCNC2CCCC2 2230a_100000704586_100000179811 [0,1,1,0,0,0|1,0,0]=3 1190 B17R2.3366 Clc1cccc(c1)CCCNC2CCCC2 270004a_100000704586_100000210133 [0,1,1,0,0,0|1,0,0]=3 1191 B17R2.3366 Clc1cccc(c1)CCCNC2CCCC2 34a_100000704586_100000179811 [0,1,1,0,0,0|1,0,0]=3 1192 B17R2.3366 Clc1cccc(c1)CCCNC2CCOC2 2230a_100000704586_100000731011 [0,1,1,0,0,0|0,1,0]=3 1193 B17R2.3366 Clc1cccc(c1)CCCNC2CCOC2 270004a_100000704586_100000752484 [0,1,1,0,0,0|0,1,0]=3 1194 B17R2.3366 Clc1cccc(c1)CCCNC2CCOC2 34a_100000704586_100000690089 [0,1,1,0,0,0|0,1,0]=3 1195 B17R2.3366 Clc1cccc(c1)CCCNC2CCSC2 270004a_100000704586_100000212027 [0,1,1,0,0,0|0,0,0]=2 1196 B17R2.3366 Clc1cccc(c1)CCCOC2CCCC2 34a_100011709246_100000179811 [0,1,1,0,0,0|2,0,0]=4 1197 B17R2.3366 Clc1cccc(c1)CCCOC2CCCC2 7a_100011709246_100000179811 [0,1,1,0,0,0|2,0,0]=4 1198 B17R2.3366 Clc1cccc(c1)CCCOC2CCOC2 34a_100011709246_100000690089 [0,1,1,0,0,0|1,1,0]=4 1199 B17R2.3366 Clc1cccc(c1)CCCOC2CCOC2 7a_100011709246_100000731011 [0,1,1,0,0,0|1,1,0]=4 1200 B17R2.3366 Clc1cccc(c1)OCCNC2CCCC2 2230a_100000211070_100000181161 [0,1,1,0,0,0|2,0,0]=4 1201 B17R2.3366 Clc1cccc(c1)OCCNC2CCCC2 2230a_100000740232_100000179811 [0,1,1,0,0,0|2,0,0]=4 1202 B17R2.3366 Clc1cccc(c1)OCCNC2CCCC2 270004a_100000740232_100000210133 [0,1,1,0,0,0|2,0,0]=4 1203 B17R2.3366 Clc1cccc(c1)OCCNC2CCCC2 34a_100000211070_100000181161 [0,1,1,0,0,0|2,0,0]=4 1204 B17R2.3366 Clc1cccc(c1)OCCNC2CCCC2 34a_100000740232_100000179811 [0,1,1,0,0,0|2,0,0]=4 1205 B17R2.3366 Clc1cccc(c1)OCCNC2CCOC2 2230a_100000740232_100000731011 [0,1,1,0,0,0|1,1,0]=4 1206 B17R2.3366 Clc1cccc(c1)OCCNC2CCOC2 270004a_100000740232_100000752484 [0,1,1,0,0,0|1,1,0]=4 1207 B17R2.3366 Clc1cccc(c1)OCCNC2CCOC2 34a_100000740232_100000690089 [0,1,1,0,0,0|1,1,0]=4 1208 B17R2.3366 Clc1cccc(c1)OCCNC2CCSC2 270004a_100000740232_100000212027 [0,1,1,0,0,0|1,0,0]=3 1209 B17R2.3366 Clc1cccc(c1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000181161 [0,1,1,0,0,0|1,1,0]=4 1210 B17R2.3366 Clc1cccc(c1)OCCN[C@H]2CCOC2 2230a_100015188467_100000181161 [0,1,1,0,0,0|1,1,0]=4 1211 B17R2.3366 Clc1cccc(c1)OCCN[C@H]2CCOC2 34a_100015188467_100000181161 [0,1,1,0,0,0|1,1,0]=4 1212 B17R2.3366 Clc1cccc(c1)OCCOC2CCSC2 7a_100011232664_100000181161 [0,1,1,0,0,0|2,0,0]=4 1213 B17R2.3366 Fc1cccc(c1)CC=NNC2CCSC2 4a_200000731317_100011713417 [0,1,1,0,0,0|1,0,1]=4 1214 B17R2.3366 Fc1cccc(c1)CCCNC2CC=CC2 2230a_100015188752_200000698031 [0,1,1,0,0,0|1,0,1]=4 1215 B17R2.3366 Fc1cccc(c1)CCCNC2CCCC2 2230a_100000211070_200000698031 [0,1,1,0,0,0|1,0,0]=3 1216 B17R2.3366 Fc1cccc(c1)CCCNC2CCCC2 2230a_100000754185_100000179811 [0,1,1,0,0,0|1,0,0]=3 1217 B17R2.3366 Fc1cccc(c1)CCCNC2CCCC2 270004a_100000754185_100000210133 [0,1,1,0,0,0|1,0,0]=3 1218 B17R2.3366 Fc1cccc(c1)CCCNC2CCCC2 34a_100000211070_200000698031 [0,1,1,0,0,0|1,0,0]=3 1219 B17R2.3366 Fc1cccc(c1)CCCNC2CCCC2 34a_100000754185_100000179811 [0,1,1,0,0,0|1,0,0]=3 1220 B17R2.3366 Fc1cccc(c1)CCCNC2CCOC2 2230a_100000754185_100000731011 [0,1,1,0,0,0|0,1,0]=3 1221 B17R2.3366 Fc1cccc(c1)CCCNC2CCOC2 270004a_100000754185_100000752484 [0,1,1,0,0,0|0,1,0]=3 1222 B17R2.3366 Fc1cccc(c1)CCCNC2CCOC2 34a_100000754185_100000690089 [0,1,1,0,0,0|0,1,0]=3 1223 B17R2.3366 Fc1cccc(c1)CCCNC2CCSC2 270004a_100000754185_100000212027 [0,1,1,0,0,0|0,0,0]=2 1224 B17R2.3366 Fc1cccc(c1)CCCN[C@@H]2CCOC2 2230a_200015188469_200000698031 [0,1,1,0,0,0|0,1,0]=3 1225 B17R2.3366 Fc1cccc(c1)CCCN[C@H]2CCOC2 2230a_100015188467_200000698031 [0,1,1,0,0,0|0,1,0]=3 1226 B17R2.3366 Fc1cccc(c1)CCCN[C@H]2CCOC2 34a_100015188467_200000698031 [0,1,1,0,0,0|0,1,0]=3 1227 B17R2.3366 Fc1cccc(c1)CCCOC2CCCC2 34a_100000210269_200000698031 [0,1,1,0,0,0|2,0,0]=4 1228 B17R2.3366 Fc1cccc(c1)CCCOC2CCCC2 7a_100000210269_200000698031 [0,1,1,0,0,0|2,0,0]=4 1229 B17R2.3366 Fc1cccc(c1)CCCOC2CCSC2 7a_100011232664_200000698031 [0,1,1,0,0,0|1,0,0]=3 1230 B17R2.3366 Fc1cccc(c1)CCCO[C@H]2CCOC2 34a_100000717292_200000698031 [0,1,1,0,0,0|1,1,0]=4 1231 B17R2.3366 Fc1cccc(c1)CCCSC2CCCC2 62a_100011217020_200000698031 [0,1,1,0,0,0|2,0,0]=4 1232 B17R2.3366 Fc1cccc(c1)CCCSC2CCCC2 62a_200000698031_100000179811 [0,1,1,0,0,0|2,0,0]=4 1233 B17R2.3366 Fc1cccc(c1)CCCSC2CCOC2 62a_200000698031_100000690089 [0,1,1,0,0,0|1,1,0]=4 1234 B17R2.3366 Fc1cccc(c1)OCCNC2CCCC2 2230a_100000211070_100000739188 [0,1,1,0,0,0|2,0,0]=4 1235 B17R2.3366 Fc1cccc(c1)OCCNC2CCCC2 2230a_100000738948_100000179811 [0,1,1,0,0,0|2,0,0]=4 1236 B17R2.3366 Fc1cccc(c1)OCCNC2CCCC2 270004a_100000738948_100000210133 [0,1,1,0,0,0|2,0,0]=4 1237 B17R2.3366 Fc1cccc(c1)OCCNC2CCCC2 34a_100000211070_100000739188 [0,1,1,0,0,0|2,0,0]=4 1238 B17R2.3366 Fc1cccc(c1)OCCNC2CCCC2 34a_100000738948_100000179811 [0,1,1,0,0,0|2,0,0]=4 1239 B17R2.3366 Fc1cccc(c1)OCCNC2CCOC2 2230a_100000738948_100000731011 [0,1,1,0,0,0|1,1,0]=4 1240 B17R2.3366 Fc1cccc(c1)OCCNC2CCOC2 270004a_100000738948_100000752484 [0,1,1,0,0,0|1,1,0]=4 1241 B17R2.3366 Fc1cccc(c1)OCCNC2CCOC2 34a_100000738948_100000690089 [0,1,1,0,0,0|1,1,0]=4 1242 B17R2.3366 Fc1cccc(c1)OCCNC2CCSC2 270004a_100000738948_100000212027 [0,1,1,0,0,0|1,0,0]=3 1243 B17R2.3366 Fc1cccc(c1)OCCN[C@@H]2CCOC2 2230a_200015188469_100000739188 [0,1,1,0,0,0|1,1,0]=4 1244 B17R2.3366 Fc1cccc(c1)OCCN[C@H]2CCOC2 2230a_100015188467_100000739188 [0,1,1,0,0,0|1,1,0]=4 1245 B17R2.3366 Fc1cccc(c1)OCCN[C@H]2CCOC2 34a_100015188467_100000739188 [0,1,1,0,0,0|1,1,0]=4 1246 B17R2.3366 Fc1cccc(c1)OCCOC2CCSC2 7a_100011232664_100000739188 [0,1,1,0,0,0|2,0,0]=4 1247 B17R2.3366 Nc1cccc(c1)CCCOC2CCCC2 34a_200000698965_100000179811 [0,1,1,0,0,0|2,0,0]=4 1248 B17R2.3366 Nc1cccc(c1)CCCOC2CCCC2 7a_200000698965_100000179811 [0,1,1,0,0,0|2,0,0]=4 1249 B17R2.3366 Nc1cccc(c1)CCCOC2CCOC2 34a_200000698965_100000690089 [0,1,1,0,0,0|1,1,0]=4 1250 B17R2.3366 Nc1cccc(c1)CCCOC2CCOC2 7a_200000698965_100000731011 [0,1,1,0,0,0|1,1,0]=4 1251 B17R2.3430 Brc1ccccc1CCCNC2CC=CC2 2230a_100015188752_200011713681 [0,1,1,0,0,0|1,0,1]=4 1252 B17R2.3430 Brc1ccccc1CCCNC2CCCC2 2230a_100000211070_200011713681 [0,1,1,0,0,0|1,0,0]=3 1253 B17R2.3430 Brc1ccccc1CCCNC2CCCC2 34a_100000211070_200011713681 [0,1,1,0,0,0|1,0,0]=3 1254 B17R2.3430 Brc1ccccc1CCCN[C@@H]2CCOC2 2230a_200015188469_200011713681 [0,1,1,0,0,0|0,1,0]=3 1255 B17R2.3430 Brc1ccccc1CCCN[C@H]2CCOC2 2230a_100015188467_200011713681 [0,1,1,0,0,0|0,1,0]=3 1256 B17R2.3430 Brc1ccccc1CCCN[C@H]2CCOC2 34a_100015188467_200011713681 [0,1,1,0,0,0|0,1,0]=3 1257 B17R2.3430 Brc1ccccc1CCCOC2CCCC2 34a_100000210269_200011713681 [0,1,1,0,0,0|2,0,0]=4 1258 B17R2.3430 Brc1ccccc1CCCOC2CCCC2 34a_100000699526_100000179811 [0,1,1,0,0,0|2,0,0]=4 1259 B17R2.3430 Brc1ccccc1CCCOC2CCCC2 7a_100000210269_200011713681 [0,1,1,0,0,0|2,0,0]=4 1260 B17R2.3430 Brc1ccccc1CCCOC2CCCC2 7a_100000699526_100000179811 [0,1,1,0,0,0|2,0,0]=4 1261 B17R2.3430 Brc1ccccc1CCCOC2CCOC2 34a_100000699526_100000690089 [0,1,1,0,0,0|1,1,0]=4 1262 B17R2.3430 Brc1ccccc1CCCOC2CCOC2 7a_100000699526_100000731011 [0,1,1,0,0,0|1,1,0]=4 1263 B17R2.3430 Brc1ccccc1CCCOC2CCSC2 7a_100011232664_200011713681 [0,1,1,0,0,0|1,0,0]=3 1264 B17R2.3430 Brc1ccccc1CCCO[C@H]2CCOC2 34a_100000717292_200011713681 [0,1,1,0,0,0|1,1,0]=4 1265 B17R2.3430 Brc1ccccc1CCCSC2CCCC2 62a_100011217020_200011713681 [0,1,1,0,0,0|2,0,0]=4 1266 B17R2.3430 Brc1ccccc1CCCSC2CCCC2 62a_200011713681_100000179811 [0,1,1,0,0,0|2,0,0]=4 1267 B17R2.3430 Brc1ccccc1CCCSC2CCOC2 62a_200011713681_100000690089 [0,1,1,0,0,0|1,1,0]=4 1268 B17R2.3430 Brc1ccccc1OCCNC2CCCC2 2230a_100000211070_100000695877 [0,1,1,0,0,0|2,0,0]=4 1269 B17R2.3430 Brc1ccccc1OCCNC2CCCC2 2230a_100000744007_100000179811 [0,1,1,0,0,0|2,0,0]=4 1270 B17R2.3430 Brc1ccccc1OCCNC2CCCC2 270004a_100000744007_100000210133 [0,1,1,0,0,0|2,0,0]=4 1271 B17R2.3430 Brc1ccccc1OCCNC2CCCC2 34a_100000211070_100000695877 [0,1,1,0,0,0|2,0,0]=4 1272 B17R2.3430 Brc1ccccc1OCCNC2CCCC2 34a_100000744007_100000179811 [0,1,1,0,0,0|2,0,0]=4 1273 B17R2.3430 Brc1ccccc1OCCNC2CCOC2 2230a_100000744007_100000731011 [0,1,1,0,0,0|1,1,0]=4 1274 B17R2.3430 Brc1ccccc1OCCNC2CCOC2 270004a_100000744007_100000752484 [0,1,1,0,0,0|1,1,0]=4 1275 B17R2.3430 Brc1ccccc1OCCNC2CCOC2 34a_100000744007_100000690089 [0,1,1,0,0,0|1,1,0]=4 1276 B17R2.3430 Brc1ccccc1OCCNC2CCSC2 270004a_100000744007_100000212027 [0,1,1,0,0,0|1,0,0]=3 1277 B17R2.3430 Brc1ccccc1OCCN[C@@H]2CCOC2 2230a_200015188469_100000695877 [0,1,1,0,0,0|1,1,0]=4 1278 B17R2.3430 Brc1ccccc1OCCN[C@H]2CCOC2 2230a_100015188467_100000695877 [0,1,1,0,0,0|1,1,0]=4 1279 B17R2.3430 Brc1ccccc1OCCN[C@H]2CCOC2 34a_100015188467_100000695877 [0,1,1,0,0,0|1,1,0]=4 1280 B17R2.3430 Brc1ccccc1OCCOC2CCSC2 7a_100011232664_100000695877 [0,1,1,0,0,0|2,0,0]=4 1281 B17R2.3430 Cc1ccccc1OCCNC2CCCC2 2230a_100000211070_100000184434 [0,1,1,0,0,0|2,0,0]=4 1282 B17R2.3430 Cc1ccccc1OCCNC2CCCC2 2230a_100000743344_100000179811 [0,1,1,0,0,0|2,0,0]=4 1283 B17R2.3430 Cc1ccccc1OCCNC2CCCC2 270004a_100000743344_100000210133 [0,1,1,0,0,0|2,0,0]=4 1284 B17R2.3430 Cc1ccccc1OCCNC2CCCC2 34a_100000211070_100000184434 [0,1,1,0,0,0|2,0,0]=4 1285 B17R2.3430 Cc1ccccc1OCCNC2CCCC2 34a_100000743344_100000179811 [0,1,1,0,0,0|2,0,0]=4 1286 B17R2.3430 Cc1ccccc1OCCNC2CCOC2 2230a_100000743344_100000731011 [0,1,1,0,0,0|1,1,0]=4 1287 B17R2.3430 Cc1ccccc1OCCNC2CCOC2 270004a_100000743344_100000752484 [0,1,1,0,0,0|1,1,0]=4 1288 B17R2.3430 Cc1ccccc1OCCNC2CCOC2 34a_100000743344_100000690089 [0,1,1,0,0,0|1,1,0]=4 1289 B17R2.3430 Cc1ccccc1OCCNC2CCSC2 270004a_100000743344_100000212027 [0,1,1,0,0,0|1,0,0]=3 1290 B17R2.3430 Cc1ccccc1OCCN[C@@H]2CCOC2 2230a_200015188469_100000184434 [0,1,1,0,0,0|1,1,0]=4 1291 B17R2.3430 Cc1ccccc1OCCN[C@H]2CCOC2 2230a_100015188467_100000184434 [0,1,1,0,0,0|1,1,0]=4 1292 B17R2.3430 Cc1ccccc1OCCN[C@H]2CCOC2 34a_100015188467_100000184434 [0,1,1,0,0,0|1,1,0]=4 1293 B17R2.3430 Cc1ccccc1OCCOC2CCSC2 7a_100011232664_100000184434 [0,1,1,0,0,0|2,0,0]=4 1294 B17R2.3430 Clc1ccccc1CC=NNC2CCSC2 4a_200000731317_200011713468 [0,1,1,0,0,0|1,0,1]=4 1295 B17R2.3430 Clc1ccccc1CCCOC2CCCC2 34a_100011709251_100000179811 [0,1,1,0,0,0|2,0,0]=4 1296 B17R2.3430 Clc1ccccc1CCCOC2CCCC2 7a_100011709251_100000179811 [0,1,1,0,0,0|2,0,0]=4 1297 B17R2.3430 Clc1ccccc1CCCOC2CCOC2 34a_100011709251_100000690089 [0,1,1,0,0,0|1,1,0]=4 1298 B17R2.3430 Clc1ccccc1CCCOC2CCOC2 7a_100011709251_100000731011 [0,1,1,0,0,0|1,1,0]=4 1299 B17R2.3430 Clc1ccccc1OCCNC2CCCC2 2230a_100000174932_100000179811 [0,1,1,0,0,0|2,0,0]=4 1300 B17R2.3430 Clc1ccccc1OCCNC2CCCC2 270004a_100000174932_100000210133 [0,1,1,0,0,0|2,0,0]=4 1301 B17R2.3430 Clc1ccccc1OCCNC2CCCC2 34a_100000174932_100000179811 [0,1,1,0,0,0|2,0,0]=4 1302 B17R2.3430 Clc1ccccc1OCCNC2CCOC2 2230a_100000174932_100000731011 [0,1,1,0,0,0|1,1,0]=4 1303 B17R2.3430 Clc1ccccc1OCCNC2CCOC2 270004a_100000174932_100000752484 [0,1,1,0,0,0|1,1,0]=4 1304 B17R2.3430 Clc1ccccc1OCCNC2CCOC2 34a_100000174932_100000690089 [0,1,1,0,0,0|1,1,0]=4 1305 B17R2.3430 Clc1ccccc1OCCNC2CCSC2 270004a_100000174932_100000212027 [0,1,1,0,0,0|1,0,0]=3 1306 B17R2.3430 Fc1ccccc1CC=NNC2CCSC2 4a_200000731317_200000687578 [0,1,1,0,0,0|1,0,1]=4 1307 B17R2.3430 Fc1ccccc1CCCNC2CCCC2 2230a_100000724733_100000179811 [0,1,1,0,0,0|1,0,0]=3 1308 B17R2.3430 Fc1ccccc1CCCNC2CCCC2 270004a_100000724733_100000210133 [0,1,1,0,0,0|1,0,0]=3 1309 B17R2.3430 Fc1ccccc1CCCNC2CCCC2 34a_100000724733_100000179811 [0,1,1,0,0,0|1,0,0]=3 1310 B17R2.3430 Fc1ccccc1CCCNC2CCOC2 2230a_100000724733_100000731011 [0,1,1,0,0,0|0,1,0]=3 1311 B17R2.3430 Fc1ccccc1CCCNC2CCOC2 270004a_100000724733_100000752484 [0,1,1,0,0,0|0,1,0]=3 1312 B17R2.3430 Fc1ccccc1CCCNC2CCOC2 34a_100000724733_100000690089 [0,1,1,0,0,0|0,1,0]=3 1313 B17R2.3430 Fc1ccccc1CCCNC2CCSC2 270004a_100000724733_100000212027 [0,1,1,0,0,0|0,0,0]=2 1314 B17R2.3430 Fc1ccccc1CCCOC2CCCC2 34a_100011709249_100000179811 [0,1,1,0,0,0|2,0,0]=4 1315 B17R2.3430 Fc1ccccc1CCCOC2CCCC2 7a_100011709249_100000179811 [0,1,1,0,0,0|2,0,0]=4 1316 B17R2.3430 Fc1ccccc1CCCOC2CCOC2 34a_100011709249_100000690089 [0,1,1,0,0,0|1,1,0]=4 1317 B17R2.3430 Fc1ccccc1CCCOC2CCOC2 7a_100011709249_100000731011 [0,1,1,0,0,0|1,1,0]=4 1318 B17R2.3430 Fc1ccccc1OCCNC2CCCC2 2230a_100000211070_100000183290 [0,1,1,0,0,0|2,0,0]=4 1319 B17R2.3430 Fc1ccccc1OCCNC2CCCC2 2230a_100000683764_100000179811 [0,1,1,0,0,0|2,0,0]=4 1320 B17R2.3430 Fc1ccccc1OCCNC2CCCC2 270004a_100000683764_100000210133 [0,1,1,0,0,0|2,0,0]=4 1321 B17R2.3430 Fc1ccccc1OCCNC2CCCC2 34a_100000211070_100000183290 [0,1,1,0,0,0|2,0,0]=4 1322 B17R2.3430 Fc1ccccc1OCCNC2CCCC2 34a_100000683764_100000179811 [0,1,1,0,0,0|2,0,0]=4 1323 B17R2.3430 Fc1ccccc1OCCNC2CCOC2 2230a_100000683764_100000731011 [0,1,1,0,0,0|1,1,0]=4 1324 B17R2.3430 Fc1ccccc1OCCNC2CCOC2 270004a_100000683764_100000752484 [0,1,1,0,0,0|1,1,0]=4 1325 B17R2.3430 Fc1ccccc1OCCNC2CCOC2 34a_100000683764_100000690089 [0,1,1,0,0,0|1,1,0]=4 1326 B17R2.3430 Fc1ccccc1OCCNC2CCSC2 270004a_100000683764_100000212027 [0,1,1,0,0,0|1,0,0]=3 1327 B17R2.3430 Fc1ccccc1OCCN[C@@H]2CCOC2 2230a_200015188469_100000183290 [0,1,1,0,0,0|1,1,0]=4 1328 B17R2.3430 Fc1ccccc1OCCN[C@H]2CCOC2 2230a_100015188467_100000183290 [0,1,1,0,0,0|1,1,0]=4 1329 B17R2.3430 Fc1ccccc1OCCN[C@H]2CCOC2 34a_100015188467_100000183290 [0,1,1,0,0,0|1,1,0]=4 1330 B17R2.3430 Fc1ccccc1OCCOC2CCSC2 7a_100011232664_100000183290 [0,1,1,0,0,0|2,0,0]=4 1331 B17R2.3513 CC1CCCC1NCCCc2ccccc2 269862a_100000211184_100000752053 [0,1,1,0,0,0|1,0,0]=3 1332 B17R2.3513 CC1CCCC1NCCCc2ccccn2 269862a_100000689020_100000752053 [0,1,1,0,0,0|2,0,0]=4 1333 B17R2.3513 CC1CCCC1NCCCc2cccnc2 269862a_100011532358_100000752053 [0,1,1,0,0,0|2,0,0]=4 1334 B17R2.3513 CC1CCCC1NCCCc2ccncc2 269862a_100011275580_100000752053 [0,1,1,0,0,0|2,0,0]=4 1335 B17R2.3513 CC1CCCC1NCCOc2ccccc2 269862a_100000174943_100000752053 [0,1,1,0,0,0|2,0,0]=4 1336 B17R2.3513 CC1CCCC1NCCSc2ccccc2 269862a_100000189519_100000752053 [0,1,1,0,0,0|2,0,0]=4 1337 B17R2.3513 CC1CCCC1OCCCc2ccccc2 34a_100011216460_100000211621 [0,1,1,0,0,0|2,0,0]=4 1338 B17R2.3513 CC1CCCC1OCCCc2ccccc2 7a_100011216460_100000211621 [0,1,1,0,0,0|2,0,0]=4 1339 B17R2.3513 CC1OCCC1NCCCc2ccccc2 270004a_100000211184_100000691750 [0,1,1,0,0,0|0,1,0]=3 1340 B17R2.3513 CC1OCCC1NCCCc2ccccn2 270004a_100000689020_100000691750 [0,1,1,0,0,0|1,1,0]=4 1341 B17R2.3513 CC1OCCC1NCCCc2cccnc2 270004a_100011532358_100000691750 [0,1,1,0,0,0|1,1,0]=4 1342 B17R2.3513 CC1OCCC1NCCCc2ccncc2 270004a_100011275580_100000691750 [0,1,1,0,0,0|1,1,0]=4 1343 B17R2.3513 CC1OCCC1NCCOc2ccccc2 270004a_100000174943_100000691750 [0,1,1,0,0,0|1,1,0]=4 1344 B17R2.3513 CC1OCCC1NCCSc2ccccc2 270004a_100000189519_100000691750 [0,1,1,0,0,0|1,1,0]=4 1345 B17R2.3513 CC1SCCN1CCCCc2ccccc2 2230a_200011216479_100000701786 [0,1,1,0,0,0|2,0,0]=4 1346 B17R2.3513 CC1SCCN1CCCCc2ccccc2 269982a_200011216479_100000701786 [0,1,1,0,0,0|2,0,0]=4 1347 B17R2.3513 CC1SCCN1CCCCc2ccccc2 34a_200011216479_100000701786 [0,1,1,0,0,0|2,0,0]=4 1348 B17R2.3513 C[C@@H]1CNC[C@@H]1OCCCc2ccccc2 34a_200015306588_100000211621 [0,1,1,0,0,0|2,0,0]=4 1349 B17R2.3513 Cl[C@@H]1CCC[C@H]1OCCCc2ccccc2 34a_200016002552_100000211621 [0,1,1,0,0,0|2,0,0]=4 1350 B17R2.3513 N[C@H]1CCC[C@@H]1OCCCc2ccccc2 34a_100000748460_100000211621 [0,1,1,0,0,0|2,0,0]=4 1351 B17R2.3513 N[C@H]1COC[C@@H]1OCCCc2ccccc2 34a_100015191717_100000211621 [0,1,1,0,0,0|1,1,0]=4 1352 B17R2.3513 O=C1CCCC1NCCCc2ccccc2 2230a_100000211184_100000211823 [0,1,1,0,0,0|1,0,1]=4 1353 B17R2.3513 O=C1CCCC1NCCCc2ccccc2 34a_100000211184_100000709159 [0,1,1,0,0,0|1,0,1]=4 1354 B17R2.3513 O=C1NCCC1NCCCc2ccccc2 2230a_100016995588_100000211621 [0,1,1,0,0,0|1,0,1]=4 1355 B17R2.3513 O=C1NCCC1NCCCc2ccccc2 34a_100016995588_100000211621 [0,1,1,0,0,0|1,0,1]=4 1356 B17R2.3513 O=C1OCCC1NCCCc2ccccc2 2230a_100000211184_100000211211 [0,1,1,0,0,0|0,1,1]=4 1357 B17R2.3513 O=C1OCCC1NCCCc2ccccc2 34a_100000211184_100000211211 [0,1,1,0,0,0|0,1,1]=4 1358 B17R2.3513 OC1COCC1NCCCc2ccccc2 34a_100000211184_200000725654 [0,1,1,0,0,0|0,1,0]=3 1359 B17R2.3513 OC1COCC1NCCCc2cccnc2 34a_100011532358_200000725654 [0,1,1,0,0,0|1,1,0]=4 1360 B17R2.3513 OC1COCC1NCCOc2ccccc2 34a_100000174943_200000725654 [0,1,1,0,0,0|1,1,0]=4 1361 B17R2.3513 OC1COCC1OCCCc2ccccc2 34a_100000210828_200000725654 [0,1,1,0,0,0|1,1,0]=4 1362 B17R2.3513 OC1COCC1OCCCc2ccccc2 7a_100000210828_200000725654 [0,1,1,0,0,0|1,1,0]=4 1363 B17R2.3513 OC1COCC1SCCCc2ccccc2 62a_100000211621_200000725654 [0,1,1,0,0,0|1,1,0]=4 1364 B17R2.3513 OC1COCC1SCCCc2ccccc2 62a_200000725654_100000211621 [0,1,1,0,0,0|1,1,0]=4 1365 B17R2.3513 O[C@@H]1CCC[C@H]1SCCCc2ccccc2 62a_100000211621_200016002552 [0,1,1,0,0,0|2,0,0]=4 1366 B17R2.3513 O[C@@H]1CCC[C@H]1SCCCc2ccccc2 62a_200016002552_100000211621 [0,1,1,0,0,0|2,0,0]=4 1367 B17R2.3513 O[C@H]1CCC[C@@H]1NCCOc2ccccc2 270004a_100000748460_100000758736 [0,1,1,0,0,0|2,0,0]=4 1368 B17R2.3513 O[C@H]1COC[C@@H]1NCCCc2ccccc2 2230a_100015191717_100000211621 [0,1,1,0,0,0|0,1,0]=3 1369 B17R2.3513 O[C@H]1COC[C@@H]1NCCOc2ccccc2 2230a_100015191717_100000184471 [0,1,1,0,0,0|1,1,0]=4 1370 B17R2.3513 O[C@H]1COC[C@@H]1NCCOc2ccccc2 270004a_100015191717_100000758736 [0,1,1,0,0,0|1,1,0]=4 1371 B17R2.3513 O[C@H]1COC[C@@H]1NCCSc2ccccc2 2230a_100015191717_100000246102 [0,1,1,0,0,0|1,1,0]=4 1372 B17R2.3513 O[C@H]1COC[C@@H]1NCOCc2ccccc2 2230a_100015191717_100000763385 [0,1,1,0,0,0|1,1,0]=4 1373 B17R2.3513 O[C@H]1COC[C@@H]1NCSCc2ccccc2 2230a_100015191717_200011217039 [0,1,1,0,0,0|1,1,0]=4 1374 B17R2.5714 CC(CCCc1ccccc1)N2CCSC2 2230a_100011215254_200010759516 [0,1,1,0,0,0|2,0,0]=4 1375 B17R2.5714 CC(CCCc1ccccc1)N2CCSC2 269982a_100011215254_200010759516 [0,1,1,0,0,0|2,0,0]=4 1376 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 2230a_100000207505_100000211621 [0,1,1,0,0,0|1,0,0]=3 1377 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 2230a_100000693637_100000179811 [0,1,1,0,0,0|1,0,0]=3 1378 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 269982a_100000207505_100000211621 [0,1,1,0,0,0|1,0,0]=3 1379 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 269982a_100000693637_100000179811 [0,1,1,0,0,0|1,0,0]=3 1380 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 270004a_100000693637_100000210133 [0,1,1,0,0,0|1,0,0]=3 1381 B17R2.5714 CN(CCCc1ccccc1)C2CCCC2 34a_100000207505_100000211621 [0,1,1,0,0,0|1,0,0]=3 1382 B17R2.5714 CN(CCCc1ccccc1)C2CCOC2 2230a_100000693637_100000731011 [0,1,1,0,0,0|0,1,0]=3 1383 B17R2.5714 CN(CCCc1ccccc1)C2CCOC2 2230a_100016988252_100000211621 [0,1,1,0,0,0|0,1,0]=3 1384 B17R2.5714 CN(CCCc1ccccc1)C2CCOC2 269982a_100000693637_100000731011 [0,1,1,0,0,0|0,1,0]=3 1385 B17R2.5714 CN(CCCc1ccccc1)C2CCOC2 269982a_100016988252_100000211621 [0,1,1,0,0,0|0,1,0]=3 1386 B17R2.5714 CN(CCCc1ccccc1)C2CCOC2 270004a_100000693637_100000752484 [0,1,1,0,0,0|0,1,0]=3 1387 B17R2.5714 CN(CCCc1ccccc1)C2CCOC2 34a_100016988252_100000211621 [0,1,1,0,0,0|0,1,0]=3 1388 B17R2.5714 CN(CCCc1ccccc1)C2CCSC2 270004a_100000693637_100000212027 [0,1,1,0,0,0|0,0,0]=2 1389 B17R2.5714 CN(CCOc1ccccc1)C2CCCC2 2230a_100000184383_100000179811 [0,1,1,0,0,0|2,0,0]=4 1390 B17R2.5714 CN(CCOc1ccccc1)C2CCCC2 2230a_100000207505_100000184471 [0,1,1,0,0,0|2,0,0]=4 1391 B17R2.5714 CN(CCOc1ccccc1)C2CCCC2 269982a_100000184383_100000179811 [0,1,1,0,0,0|2,0,0]=4 1392 B17R2.5714 CN(CCOc1ccccc1)C2CCCC2 269982a_100000207505_100000184471 [0,1,1,0,0,0|2,0,0]=4 1393 B17R2.5714 CN(CCOc1ccccc1)C2CCCC2 270004a_100000184383_100000210133 [0,1,1,0,0,0|2,0,0]=4 1394 B17R2.5714 CN(CCOc1ccccc1)C2CCCC2 270004a_100000207505_100000758736 [0,1,1,0,0,0|2,0,0]=4 1395 B17R2.5714 CN(CCOc1ccccc1)C2CCCC2 34a_100000207505_100000184471 [0,1,1,0,0,0|2,0,0]=4 1396 B17R2.5714 CN(CCOc1ccccc1)C2CCOC2 2230a_100000184383_100000731011 [0,1,1,0,0,0|1,1,0]=4 1397 B17R2.5714 CN(CCOc1ccccc1)C2CCOC2 2230a_100016988252_100000184471 [0,1,1,0,0,0|1,1,0]=4 1398 B17R2.5714 CN(CCOc1ccccc1)C2CCOC2 269982a_100000184383_100000731011 [0,1,1,0,0,0|1,1,0]=4 1399 B17R2.5714 CN(CCOc1ccccc1)C2CCOC2 269982a_100016988252_100000184471 [0,1,1,0,0,0|1,1,0]=4 1400 B17R2.5714 CN(CCOc1ccccc1)C2CCOC2 270004a_100000184383_100000752484 [0,1,1,0,0,0|1,1,0]=4 1401 B17R2.5714 CN(CCOc1ccccc1)C2CCOC2 270004a_100016988252_100000758736 [0,1,1,0,0,0|1,1,0]=4 1402 B17R2.5714 CN(CCOc1ccccc1)C2CCOC2 34a_100016988252_100000184471 [0,1,1,0,0,0|1,1,0]=4 1403 B17R2.5714 CN(CCOc1ccccc1)C2CCSC2 270004a_100000184383_100000212027 [0,1,1,0,0,0|1,0,0]=3 1404 B17R2.5714 CN(CCSc1ccccc1)C2CCCC2 2230a_100000207505_100000246102 [0,1,1,0,0,0|2,0,0]=4 1405 B17R2.5714 CN(CCSc1ccccc1)C2CCCC2 269982a_100000207505_100000246102 [0,1,1,0,0,0|2,0,0]=4 1406 B17R2.5714 CN(CCSc1ccccc1)C2CCCC2 34a_100000207505_100000246102 [0,1,1,0,0,0|2,0,0]=4 1407 B17R2.5714 CN(CCSc1ccccc1)C2CCOC2 2230a_100016988252_100000246102 [0,1,1,0,0,0|1,1,0]=4 1408 B17R2.5714 CN(CCSc1ccccc1)C2CCOC2 269982a_100016988252_100000246102 [0,1,1,0,0,0|1,1,0]=4 1409 B17R2.5714 CN(CCSc1ccccc1)C2CCOC2 34a_100016988252_100000246102 [0,1,1,0,0,0|1,1,0]=4 1410 B17R2.5714 CN(COCc1ccccc1)C2CCCC2 2230a_100000207505_100000763385 [0,1,1,0,0,0|2,0,0]=4 1411 B17R2.5714 CN(COCc1ccccc1)C2CCCC2 34a_100000207505_100000763385 [0,1,1,0,0,0|2,0,0]=4 1412 B17R2.5714 CN(COCc1ccccc1)C2CCOC2 2230a_100016988252_100000763385 [0,1,1,0,0,0|1,1,0]=4 1413 B17R2.5714 CN(COCc1ccccc1)C2CCOC2 34a_100016988252_100000763385 [0,1,1,0,0,0|1,1,0]=4 1414 B17R2.5714 CN(CSCc1ccccc1)C2CCCC2 2230a_100000207505_200011217039 [0,1,1,0,0,0|2,0,0]=4 1415 B17R2.5714 CN(CSCc1ccccc1)C2CCCC2 269982a_100000207505_200011217039 [0,1,1,0,0,0|2,0,0]=4 1416 B17R2.5714 CN(CSCc1ccccc1)C2CCCC2 34a_100000207505_200011217039 [0,1,1,0,0,0|2,0,0]=4 1417 B17R2.5714 CN(CSCc1ccccc1)C2CCOC2 2230a_100016988252_200011217039 [0,1,1,0,0,0|1,1,0]=4 1418 B17R2.5714 CN(CSCc1ccccc1)C2CCOC2 269982a_100016988252_200011217039 [0,1,1,0,0,0|1,1,0]=4 1419 B17R2.5714 CN(CSCc1ccccc1)C2CCOC2 34a_100016988252_200011217039 [0,1,1,0,0,0|1,1,0]=4 1420 B17R2.5714 O=C(CCCc1ccccc1)C2CCCC2 1458a_100000210718_100000211621 [0,1,1,0,0,0|2,0,0]=4 1421 B17R2.5714 O=C(CCCc1ccccc1)C2CCCC2 1458a_100011207963_100000179811 [0,1,1,0,0,0|2,0,0]=4 1422 B17R2.5714 O=C(CCCc1ccccc1)C2CCOC2 1458a_100011207963_100000690089 [0,1,1,0,0,0|1,1,0]=4 1423 B17R2.5714 O=C(CCCc1ccccc1)C2CCOC2 1458a_100011219752_100000211621 [0,1,1,0,0,0|1,1,0]=4 1424 B17R2.5714 O=C(CCCc1ccccc1)N2CCSC2 11a_100011215254_100011207963 [0,1,1,0,0,0|2,0,0]=4 1425 B17R2.5714 O=C(CCCc1ccccc1)N2CCSC2 240690a_100011215254_100011207963 [0,1,1,0,0,0|2,0,0]=4 1426 B17R2.5714 O=C(CCCc1ccccc1)N2CCSC2 527a_100011215254_100011207963 [0,1,1,0,0,0|2,0,0]=4 1427 B17R2.8341 CC(CNC1CCCC1)Oc2ccccc2 2230a_100000755676_100000179811 [0,1,1,0,0,0|2,0,0]=4 1428 B17R2.8341 CC(CNC1CCCC1)Oc2ccccc2 270004a_100000755676_100000210133 [0,1,1,0,0,0|2,0,0]=4 1429 B17R2.8341 CC(CNC1CCCC1)Oc2ccccc2 34a_100000755676_100000179811 [0,1,1,0,0,0|2,0,0]=4 1430 B17R2.8341 CC(CNC1CCOC1)Oc2ccccc2 2230a_100000755676_100000731011 [0,1,1,0,0,0|1,1,0]=4 1431 B17R2.8341 CC(CNC1CCOC1)Oc2ccccc2 270004a_100000755676_100000752484 [0,1,1,0,0,0|1,1,0]=4 1432 B17R2.8341 CC(CNC1CCOC1)Oc2ccccc2 34a_100000755676_100000690089 [0,1,1,0,0,0|1,1,0]=4 1433 B17R2.8341 CC(CNC1CCSC1)Oc2ccccc2 270004a_100000755676_100000212027 [0,1,1,0,0,0|1,0,0]=3 1434 B17R2.8341 CC(CNC1CCSC1)Oc2cccnc2 270004a_200011219418_100000212027 [0,1,1,0,0,0|2,0,0]=4 1435 B17R2.8341 CC(COC1CCCC1)Cc2ccccc2 34a_100012125295_100000179811 [0,1,1,0,0,0|2,0,0]=4 1436 B17R2.8341 CC(COC1CCCC1)Cc2ccccc2 7a_100012125295_100000179811 [0,1,1,0,0,0|2,0,0]=4 1437 B17R2.8341 CC(COC1CCOC1)Cc2ccccc2 34a_100012125295_100000690089 [0,1,1,0,0,0|1,1,0]=4 1438 B17R2.8341 CC(COC1CCOC1)Cc2ccccc2 7a_100012125295_100000731011 [0,1,1,0,0,0|1,1,0]=4 1439 B17R2.8341 NC(COC1CCCC1)Cc2ccccc2 34a_100000739027_100000179811 [0,1,1,0,0,0|2,0,0]=4 1440 B17R2.8341 NC(COC1CCOC1)Cc2ccccc2 34a_100000739027_100000690089 [0,1,1,0,0,0|1,1,0]=4 1441 B17R2.8341 O=C(CNC1CCCC1)Cc2ccccc2 2230a_100000211070_100000233483 [0,1,1,0,0,0|1,0,1]=4 1442 B17R2.8341 O=C(CNC1CCSC1)Nc2ccccc2 270004a_100000742222_100000212027 [0,1,1,0,0,0|1,0,1]=4 1443 B17R2.8341 O=C(CN[C@@H]1CCOC1)Cc2ccccc2 2230a_200015188469_100000233483 [0,1,1,0,0,0|0,1,1]=4 1444 B17R2.8341 O=C(CN[C@H]1CCOC1)Cc2ccccc2 2230a_100015188467_100000233483 [0,1,1,0,0,0|0,1,1]=4 1445 B17R2.8341 O=C(COC1CCSC1)Cc2ccccc2 7a_100011232664_100000233483 [0,1,1,0,0,0|1,0,1]=4 1446 B17R2.8341 OC(CNC1CCCC1)Cc2ccccc2 2230a_100000752270_100000179811 [0,1,1,0,0,0|1,0,0]=3 1447 B17R2.8341 OC(CNC1CCCC1)Cc2ccccc2 270004a_100000752270_100000210133 [0,1,1,0,0,0|1,0,0]=3 1448 B17R2.8341 OC(CNC1CCOC1)Cc2ccccc2 2230a_100000752270_100000731011 [0,1,1,0,0,0|0,1,0]=3 1449 B17R2.8341 OC(CNC1CCOC1)Cc2ccccc2 270004a_100000752270_100000752484 [0,1,1,0,0,0|0,1,0]=3 1450 B17R2.8341 OC(CNC1CCSC1)Cc2ccccc2 270004a_100000752270_100000212027 [0,1,1,0,0,0|0,0,0]=2 1451 B17R2.8341 O[C@H](CNC1CC=CC1)Cc2ccccc2 2230a_100015188752_100000729385 [0,1,1,0,0,0|1,0,1]=4 1452 B17R2.8341 O[C@H](CNC1CCCC1)Cc2ccccc2 2230a_100000211070_100000729385 [0,1,1,0,0,0|1,0,0]=3 1453 B17R2.8341 O[C@H](CNC1CCCC1)Cc2ccccc2 34a_100000211070_100000729385 [0,1,1,0,0,0|1,0,0]=3 1454 B17R2.8341 O[C@H](CN[C@@H]1CCOC1)Cc2ccccc2 2230a_200015188469_100000729385 [0,1,1,0,0,0|0,1,0]=3 1455 B17R2.8341 O[C@H](CN[C@H]1CCOC1)Cc2ccccc2 2230a_100015188467_100000729385 [0,1,1,0,0,0|0,1,0]=3 1456 B17R2.8341 O[C@H](CN[C@H]1CCOC1)Cc2ccccc2 34a_100015188467_100000729385 [0,1,1,0,0,0|0,1,0]=3 1457 B17R2.8341 O[C@H](COC1CCCC1)Cc2ccccc2 34a_100000210269_100000729385 [0,1,1,0,0,0|2,0,0]=4 1458 B17R2.8341 O[C@H](COC1CCCC1)Cc2ccccc2 7a_100000210269_100000729385 [0,1,1,0,0,0|2,0,0]=4 1459 B17R2.8341 O[C@H](COC1CCSC1)Cc2ccccc2 7a_100011232664_100000729385 [0,1,1,0,0,0|1,0,0]=3 1460 B17R2.8341 O[C@H](CO[C@H]1CCOC1)Cc2ccccc2 34a_100000717292_100000729385 [0,1,1,0,0,0|1,1,0]=4 1461 B17R2.8341 O[C@H](CSC1CCCC1)Cc2ccccc2 62a_100000729385_100000179811 [0,1,1,0,0,0|2,0,0]=4 1462 B17R2.8341 O[C@H](CSC1CCCC1)Cc2ccccc2 62a_100011217020_100000729385 [0,1,1,0,0,0|2,0,0]=4 1463 B17R2.8341 O[C@H](CSC1CCOC1)Cc2ccccc2 62a_100000729385_100000690089 [0,1,1,0,0,0|1,1,0]=4 1464 B17R2.8343 CC(CCc1ccccc1)NC2CC=CC2 270004a_100015188752_100000210092 [0,1,1,0,0,0|1,0,1]=4 1465 B17R2.8343 CC(CCc1ccccc1)NC2CCCC2 2230a_100000210798_100000179811 [0,1,1,0,0,0|1,0,0]=3 1466 B17R2.8343 CC(CCc1ccccc1)NC2CCCC2 270004a_100000210798_100000210133 [0,1,1,0,0,0|1,0,0]=3 1467 B17R2.8343 CC(CCc1ccccc1)NC2CCCC2 270004a_100000211070_100000210092 [0,1,1,0,0,0|1,0,0]=3 1468 B17R2.8343 CC(CCc1ccccc1)NC2CCCC2 34a_100000210798_100000179811 [0,1,1,0,0,0|1,0,0]=3 1469 B17R2.8343 CC(CCc1ccccc1)NC2CCOC2 2230a_100000210798_100000731011 [0,1,1,0,0,0|0,1,0]=3 1470 B17R2.8343 CC(CCc1ccccc1)NC2CCOC2 270004a_100000210798_100000752484 [0,1,1,0,0,0|0,1,0]=3 1471 B17R2.8343 CC(CCc1ccccc1)NC2CCOC2 34a_100000210798_100000690089 [0,1,1,0,0,0|0,1,0]=3 1472 B17R2.8343 CC(CCc1ccccc1)NC2CCSC2 270004a_100000210798_100000212027 [0,1,1,0,0,0|0,0,0]=2 1473 B17R2.8343 CC(CCc1ccccc1)N[C@@H]2CCOC2 270004a_200015188469_100000210092 [0,1,1,0,0,0|0,1,0]=3 1474 B17R2.8343 CC(CCc1ccccc1)N[C@H]2CCOC2 270004a_100015188467_100000210092 [0,1,1,0,0,0|0,1,0]=3 1475 B17R2.8343 CC(COc1ccccc1)NC2CCCC2 2230a_100000746794_100000179811 [0,1,1,0,0,0|2,0,0]=4 1476 B17R2.8343 CC(COc1ccccc1)NC2CCCC2 270004a_100000211070_100000150576 [0,1,1,0,0,0|2,0,0]=4 1477 B17R2.8343 CC(COc1ccccc1)NC2CCCC2 270004a_100000746794_100000210133 [0,1,1,0,0,0|2,0,0]=4 1478 B17R2.8343 CC(COc1ccccc1)NC2CCCC2 34a_100000746794_100000179811 [0,1,1,0,0,0|2,0,0]=4 1479 B17R2.8343 CC(COc1ccccc1)NC2CCOC2 2230a_100000746794_100000731011 [0,1,1,0,0,0|1,1,0]=4 1480 B17R2.8343 CC(COc1ccccc1)NC2CCOC2 270004a_100000746794_100000752484 [0,1,1,0,0,0|1,1,0]=4 1481 B17R2.8343 CC(COc1ccccc1)NC2CCOC2 34a_100000746794_100000690089 [0,1,1,0,0,0|1,1,0]=4 1482 B17R2.8343 CC(COc1ccccc1)NC2CCSC2 270004a_100000746794_100000212027 [0,1,1,0,0,0|1,0,0]=3 1483 B17R2.8343 CC(COc1ccccc1)N[C@@H]2CCOC2 270004a_200015188469_100000150576 [0,1,1,0,0,0|1,1,0]=4 1484 B17R2.8343 CC(COc1ccccc1)N[C@H]2CCOC2 270004a_100015188467_100000150576 [0,1,1,0,0,0|1,1,0]=4 1485 B17R2.8343 CC(CSc1ccccc1)NC2CCCC2 270004a_100000211070_100000150717 [0,1,1,0,0,0|2,0,0]=4 1486 B17R2.8343 CC(CSc1ccccc1)N[C@@H]2CCOC2 270004a_200015188469_100000150717 [0,1,1,0,0,0|1,1,0]=4 1487 B17R2.8343 CC(CSc1ccccc1)N[C@H]2CCOC2 270004a_100015188467_100000150717 [0,1,1,0,0,0|1,1,0]=4 1488 B17R2.8343 C[C@@H](CCc1ccccc1)OC2CCCC2 34a_100009815974_100000179811 [0,1,1,0,0,0|2,0,0]=4 1489 B17R2.8343 C[C@@H](CCc1ccccc1)OC2CCCC2 7a_100009815974_100000179811 [0,1,1,0,0,0|2,0,0]=4 1490 B17R2.8343 C[C@@H](CCc1ccccc1)OC2CCOC2 34a_100009815974_100000690089 [0,1,1,0,0,0|1,1,0]=4 1491 B17R2.8343 C[C@@H](CCc1ccccc1)OC2CCOC2 7a_100009815974_100000731011 [0,1,1,0,0,0|1,1,0]=4 1492 B17R2.8343 O=C(CCc1ccccc1)NC2CCCC2 11a_100000211070_100000185753 [0,1,1,0,0,0|1,0,1]=4 1493 B17R2.8343 O=C(CCc1ccccc1)NC2CCCC2 1626a_100000211070_100000185753 [0,1,1,0,0,0|1,0,1]=4 1494 B17R2.8343 O=C(CCc1ccccc1)NC2CCCC2 240690a_100000211070_100000185753 [0,1,1,0,0,0|1,0,1]=4 1495 B17R2.8343 O=C(CCc1ccccc1)NC2CCCC2 527a_100000211070_100000185753 [0,1,1,0,0,0|1,0,1]=4 1496 B17R2.8343 O=C(CCc1ccccc1)N[C@@H]2CCOC2 240690a_200015188469_100000185753 [0,1,1,0,0,0|0,1,1]=4 1497 B17R2.8343 O=C(CCc1ccccc1)N[C@@H]2CCOC2 527a_200015188469_100000185753 [0,1,1,0,0,0|0,1,1]=4 1498 B17R2.8343 O=C(CCc1ccccc1)N[C@H]2CCOC2 11a_100015188467_100000185753 [0,1,1,0,0,0|0,1,1]=4 1499 B17R2.8343 O=C(CCc1ccccc1)N[C@H]2CCOC2 1626a_100015188467_100000185753 [0,1,1,0,0,0|0,1,1]=4 1500 B17R2.8343 O=C(CCc1ccccc1)N[C@H]2CCOC2 240690a_100015188467_100000185753 [0,1,1,0,0,0|0,1,1]=4 1501 B17R2.8343 O=C(CCc1ccccc1)N[C@H]2CCOC2 527a_100015188467_100000185753 [0,1,1,0,0,0|0,1,1]=4 1502 B17R2.24547 CC1(CCCC1)OCCCc2ccccc2 34a_100000751722_100000211621 [0,1,1,0,0,0|2,0,0]=4 1503 B17R2.24547 CC1(CCCC1)OCCCc2ccccc2 7a_100000751722_100000211621 [0,1,1,0,0,0|2,0,0]=4 1504 B17R2.24547 CC1(CCOC1)NCCCc2ccccc2 2230a_100000693475_100000211621 [0,1,1,0,0,0|0,1,0]=3 1505 B17R2.24547 CC1(CCOC1)NCCOc2ccccc2 2230a_100000693475_100000184471 [0,1,1,0,0,0|1,1,0]=4 1506 B17R2.24547 CC1(CCOC1)NCCOc2ccccc2 270004a_100000693475_100000758736 [0,1,1,0,0,0|1,1,0]=4 1507 B17R2.24547 CC1(CCOC1)NCCSc2ccccc2 2230a_100000693475_100000246102 [0,1,1,0,0,0|1,1,0]=4 1508 B17R2.24547 CC1(CCOC1)NCOCc2ccccc2 2230a_100000693475_100000763385 [0,1,1,0,0,0|1,1,0]=4 1509 B17R2.24547 CC1(CCOC1)NCSCc2ccccc2 2230a_100000693475_200011217039 [0,1,1,0,0,0|1,1,0]=4 1510 B17R2.45544 CC(C=NNC1CCSC1)c2ccccc2 4a_200000731317_100000212034 [0,1,1,0,0,0|1,0,1]=4 1511 B17R2.45544 CC(CCNC1CC=CC1)c2ccccc2 270004a_100015188752_100000189432 [0,1,1,0,0,0|1,0,1]=4 1512 B17R2.45544 CC(CCNC1CCCC1)c2ccccc2 270004a_100000211070_100000189432 [0,1,1,0,0,0|1,0,0]=3 1513 B17R2.45544 CC(CCN[C@@H]1CCOC1)c2ccccc2 270004a_200015188469_100000189432 [0,1,1,0,0,0|0,1,0]=3 1514 B17R2.45544 CC(CCN[C@H]1CCOC1)c2ccccc2 270004a_100015188467_100000189432 [0,1,1,0,0,0|0,1,0]=3 1515 B17R2.45544 CN(CCNC1CCCC1)c2ccccc2 270004a_100000231046_100000210133 [0,1,1,0,0,0|2,0,0]=4 1516 B17R2.45544 CN(CCNC1CCOC1)c2ccccc2 270004a_100000231046_100000752484 [0,1,1,0,0,0|1,1,0]=4 1517 B17R2.45544 CN(CCNC1CCSC1)c2ccccc2 270004a_100000231046_100000212027 [0,1,1,0,0,0|1,0,0]=3 1518 B17R2.45544 N[C@@H](CCOC1CCCC1)c2ccccc2 34a_100025705951_100000179811 [0,1,1,0,0,0|2,0,0]=4 1519 B17R2.45544 N[C@@H](CCOC1CCOC1)c2ccccc2 34a_100025705951_100000690089 [0,1,1,0,0,0|1,1,0]=4 1520 B17R2.45544 O=C(CCNC1CCCC1)c2ccccc2 2230a_100000211070_100000750707 [0,1,1,0,0,0|1,0,1]=4 1521 B17R2.45544 O=C(CCN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000750707 [0,1,1,0,0,0|0,1,1]=4 1522 B17R2.45544 O=C(CCN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000750707 [0,1,1,0,0,0|0,1,1]=4 1523 B17R2.45544 O=C(CCOC1CCSC1)c2ccccc2 7a_100011232664_100000750707 [0,1,1,0,0,0|1,0,1]=4 1524 B17R2.45544 O=S(CCNC1CCCC1)c2ccccc2 2230a_100000211070_100000740319 [0,1,1,0,0,0|2,0,0]=4 1525 B17R2.45544 O=S(CCN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000740319 [0,1,1,0,0,0|1,1,0]=4 1526 B17R2.45544 O=S(CCN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000740319 [0,1,1,0,0,0|1,1,0]=4 1527 B17R2.45544 O=S(CCOC1CCSC1)c2ccccc2 7a_100011232664_100000740319 [0,1,1,0,0,0|2,0,0]=4 1528 B17R2.45544 OC(CCNC1CCCC1)c2ccccc2 2230a_100000763605_100000179811 [0,1,1,0,0,0|1,0,0]=3 1529 B17R2.45544 OC(CCNC1CCCC1)c2ccccc2 270004a_100000763605_100000210133 [0,1,1,0,0,0|1,0,0]=3 1530 B17R2.45544 OC(CCNC1CCOC1)c2ccccc2 2230a_100000763605_100000731011 [0,1,1,0,0,0|0,1,0]=3 1531 B17R2.45544 OC(CCNC1CCOC1)c2ccccc2 270004a_100000763605_100000752484 [0,1,1,0,0,0|0,1,0]=3 1532 B17R2.45544 OC(CCNC1CCSC1)c2ccccc2 270004a_100000763605_100000212027 [0,1,1,0,0,0|0,0,0]=2 1533 B17R2.45544 O[C@H](CCNC1CC=CC1)c2ccccc2 2230a_100015188752_100000729684 [0,1,1,0,0,0|1,0,1]=4 1534 B17R2.45544 O[C@H](CCNC1CCCC1)c2ccccc2 2230a_100000211070_100000729684 [0,1,1,0,0,0|1,0,0]=3 1535 B17R2.45544 O[C@H](CCNC1CCCC1)c2ccccc2 34a_100000211070_100000729684 [0,1,1,0,0,0|1,0,0]=3 1536 B17R2.45544 O[C@H](CCN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000729684 [0,1,1,0,0,0|0,1,0]=3 1537 B17R2.45544 O[C@H](CCN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000729684 [0,1,1,0,0,0|0,1,0]=3 1538 B17R2.45544 O[C@H](CCN[C@H]1CCOC1)c2ccccc2 34a_100015188467_100000729684 [0,1,1,0,0,0|0,1,0]=3 1539 B17R2.45544 O[C@H](CCOC1CCCC1)c2ccccc2 34a_100000210269_100000729684 [0,1,1,0,0,0|2,0,0]=4 1540 B17R2.45544 O[C@H](CCOC1CCCC1)c2ccccc2 7a_100000210269_100000729684 [0,1,1,0,0,0|2,0,0]=4 1541 B17R2.45544 O[C@H](CCOC1CCSC1)c2ccccc2 7a_100011232664_100000729684 [0,1,1,0,0,0|1,0,0]=3 1542 B17R2.45544 O[C@H](CCO[C@H]1CCOC1)c2ccccc2 34a_100000717292_100000729684 [0,1,1,0,0,0|1,1,0]=4 1543 B17R2.45544 O[C@H](CCSC1CCCC1)c2ccccc2 62a_100000729684_100000179811 [0,1,1,0,0,0|2,0,0]=4 1544 B17R2.45544 O[C@H](CCSC1CCCC1)c2ccccc2 62a_100011217020_100000729684 [0,1,1,0,0,0|2,0,0]=4 1545 B17R2.45544 O[C@H](CCSC1CCOC1)c2ccccc2 62a_100000729684_100000690089 [0,1,1,0,0,0|1,1,0]=4 1546 B17R2.3241 CC(CNC1CCC(C1)O)c2ccccc2 270004a_100000701038_100012614533 [0,1,1,0,0,0|1,0,0]=3 1547 B17R2.3241 CC(CNC1CCN(C1)C)c2ccccc2 270004a_100000744687_100000212034 [0,1,1,0,0,0|1,0,0]=3 1548 B17R2.3241 CC(CNC1CNC(=O)C1)c2ccccc2 2230a_100000697751_100000756946 [0,1,1,0,0,0|1,0,1]=4 1549 B17R2.3241 CC(CN[C@H]1CC[C@H](C1)O)c2ccccc2 2230a_100015195300_100000756946 [0,1,1,0,0,0|1,0,0]=3 1550 B17R2.3241 CC(CN[C@H]1CC[C@H](C1)O)c2ccccc2 270004a_100015195300_100000212034 [0,1,1,0,0,0|1,0,0]=3 1551 B17R2.3241 CC(COC1CCC(=O)C1)c2ccccc2 34a_100012614533_100000756946 [0,1,1,0,0,0|2,0,0]=4 1552 B17R2.3241 CC(COC1CCN(C1)C)c2ccccc2 7a_100011215166_200012183744 [0,1,1,0,0,0|2,0,0]=4 1553 B17R2.3241 CC(CSC1CCN(C1)C)c2ccccc2 62a_100000756946_200012183744 [0,1,1,0,0,0|2,0,0]=4 1554 B17R2.3241 CC1CCC(C1)NCC(C)c2ccccc2 270004a_100000701038_100011215218 [0,1,1,0,0,0|1,0,0]=3 1555 B17R2.3241 CC1CCC(C1)NCC(O)c2ccccc2 270004a_100000210709_100011215218 [0,1,1,0,0,0|2,0,0]=4 1556 B17R2.3241 CC1CCC(C1)OCC(C)c2ccccc2 34a_100000698185_100000756946 [0,1,1,0,0,0|2,0,0]=4 1557 B17R2.3241 OC(CN[C@H]1CC[C@H](C1)O)c2ccccc2 2230a_100015195300_100000185958 [0,1,1,0,0,0|2,0,0]=4 1558 B17R2.3241 OC1CCC(C1)NCC(O)c2ccccc2 270004a_100000210709_100012614533 [0,1,1,0,0,0|2,0,0]=4 1559 B17R2.3241 O[C@@H]1CC[C@@H](C1)NC[C@@H](O)c2ccccc2 2230a_100015195300_100011933945 [0,1,1,0,0,0|2,0,0]=4 1560 B17R2.3283 CC(=NNC1CCSC1)c2ccc(cc2)Br 4a_200000731317_100000185794 [0,1,1,0,0,0|1,0,1]=4 1561 B17R2.3283 CC(=NNC1CCSC1)c2ccc(cc2)C 4a_200000731317_100000185793 [0,1,1,0,0,0|1,0,1]=4 1562 B17R2.3283 CC(=NNC1CCSC1)c2ccc(cc2)Cl 4a_200000731317_100000185797 [0,1,1,0,0,0|1,0,1]=4 1563 B17R2.3283 CC(=NNC1CCSC1)c2ccc(cc2)F 4a_200000731317_100000185800 [0,1,1,0,0,0|1,0,1]=4 1564 B17R2.3283 CC(=NNC1CCSC1)c2ccc(cc2)I 4a_200000731317_100000185465 [0,1,1,0,0,0|1,0,1]=4 1565 B17R2.3283 CC(=NNC1CCSC1)c2ccc(cc2)O 4a_200000731317_100000185113 [0,1,1,0,0,0|1,0,1]=4 1566 B17R2.3283 CC(CNC1CCCC1)c2ccc(cc2)O 270004a_200015188644_100000210133 [0,1,1,0,0,0|1,0,0]=3 1567 B17R2.3283 CC(CNC1CCCC1)c2ccc(cc2)O 34a_200015188644_100000179811 [0,1,1,0,0,0|1,0,0]=3 1568 B17R2.3283 CC(CNC1CCOC1)c2ccc(cc2)O 270004a_200015188644_100000752484 [0,1,1,0,0,0|0,1,0]=3 1569 B17R2.3283 CC(CNC1CCOC1)c2ccc(cc2)O 34a_200015188644_100000690089 [0,1,1,0,0,0|0,1,0]=3 1570 B17R2.3283 CC(CNC1CCSC1)c2ccc(cc2)O 270004a_200015188644_100000212027 [0,1,1,0,0,0|0,0,0]=2 1571 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCCC2 2230a_200020610344_100000179811 [0,1,1,0,0,0|2,0,0]=4 1572 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCCC2 270004a_200020610344_100000210133 [0,1,1,0,0,0|2,0,0]=4 1573 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCCC2 34a_200020610344_100000179811 [0,1,1,0,0,0|2,0,0]=4 1574 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCOC2 2230a_200020610344_100000731011 [0,1,1,0,0,0|1,1,0]=4 1575 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCOC2 270004a_200020610344_100000752484 [0,1,1,0,0,0|1,1,0]=4 1576 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCOC2 34a_200020610344_100000690089 [0,1,1,0,0,0|1,1,0]=4 1577 B17R2.3283 Cc1ccc(cc1)C(O)CNC2CCSC2 270004a_200020610344_100000212027 [0,1,1,0,0,0|1,0,0]=3 1578 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Br 2230a_100020626992_100000179811 [0,1,1,0,0,0|2,0,0]=4 1579 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Br 270004a_100020626992_100000210133 [0,1,1,0,0,0|2,0,0]=4 1580 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Br 34a_100020626992_100000179811 [0,1,1,0,0,0|2,0,0]=4 1581 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 2230a_100000211070_200011996143 [0,1,1,0,0,0|2,0,0]=4 1582 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 2230a_100000736658_100000179811 [0,1,1,0,0,0|2,0,0]=4 1583 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 270004a_100000736658_100000210133 [0,1,1,0,0,0|2,0,0]=4 1584 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 34a_100000211070_200011996143 [0,1,1,0,0,0|2,0,0]=4 1585 B17R2.3283 OC(CNC1CCCC1)c2ccc(cc2)Cl 34a_100000736658_100000179811 [0,1,1,0,0,0|2,0,0]=4 1586 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Br 2230a_100020626992_100000731011 [0,1,1,0,0,0|1,1,0]=4 1587 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Br 270004a_100020626992_100000752484 [0,1,1,0,0,0|1,1,0]=4 1588 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Br 34a_100020626992_100000690089 [0,1,1,0,0,0|1,1,0]=4 1589 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Cl 2230a_100000736658_100000731011 [0,1,1,0,0,0|1,1,0]=4 1590 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Cl 270004a_100000736658_100000752484 [0,1,1,0,0,0|1,1,0]=4 1591 B17R2.3283 OC(CNC1CCOC1)c2ccc(cc2)Cl 34a_100000736658_100000690089 [0,1,1,0,0,0|1,1,0]=4 1592 B17R2.3283 OC(CNC1CCSC1)c2ccc(cc2)Br 270004a_100020626992_100000212027 [0,1,1,0,0,0|1,0,0]=3 1593 B17R2.3283 OC(CNC1CCSC1)c2ccc(cc2)Cl 270004a_100000736658_100000212027 [0,1,1,0,0,0|1,0,0]=3 1594 B17R2.3283 OC(CN[C@@H]1CCOC1)c2ccc(cc2)Cl 2230a_200015188469_200011996143 [0,1,1,0,0,0|1,1,0]=4 1595 B17R2.3283 OC(CN[C@H]1CCOC1)c2ccc(cc2)Cl 2230a_100015188467_200011996143 [0,1,1,0,0,0|1,1,0]=4 1596 B17R2.3283 OC(CN[C@H]1CCOC1)c2ccc(cc2)Cl 34a_100015188467_200011996143 [0,1,1,0,0,0|1,1,0]=4 1597 B17R2.3283 OC(COC1CCSC1)c2ccc(cc2)Cl 7a_100011232664_200011996143 [0,1,1,0,0,0|2,0,0]=4 1598 B17R2.3283 O[C@@H](CNC1CCCC1)c2ccc(cc2)F 2230a_100000211070_100000720402 [0,1,1,0,0,0|2,0,0]=4 1599 B17R2.3283 O[C@@H](CNC1CCCC1)c2ccc(cc2)F 34a_100000211070_100000720402 [0,1,1,0,0,0|2,0,0]=4 1600 B17R2.3283 O[C@@H](CN[C@@H]1CCOC1)c2ccc(cc2)F 2230a_200015188469_100000720402 [0,1,1,0,0,0|1,1,0]=4 1601 B17R2.3283 O[C@@H](CN[C@H]1CCOC1)c2ccc(cc2)F 2230a_100015188467_100000720402 [0,1,1,0,0,0|1,1,0]=4 1602 B17R2.3283 O[C@@H](CN[C@H]1CCOC1)c2ccc(cc2)F 34a_100015188467_100000720402 [0,1,1,0,0,0|1,1,0]=4 1603 B17R2.3283 O[C@@H](COC1CCSC1)c2ccc(cc2)F 7a_100011232664_100000720402 [0,1,1,0,0,0|2,0,0]=4 1604 B17R2.3283 Oc1ccc(cc1)C(O)CNC2CCCC2 34a_100000067596_100000179811 [0,1,1,0,0,0|2,0,0]=4 1605 B17R2.3283 Oc1ccc(cc1)C(O)CNC2CCOC2 34a_100000067596_100000690089 [0,1,1,0,0,0|1,1,0]=4 1606 B17R2.3378 CC(=NNC1CCSC1)c2cccc(c2)Br 4a_200000731317_100000210093 [0,1,1,0,0,0|1,0,1]=4 1607 B17R2.3378 CC(=NNC1CCSC1)c2cccc(c2)C 4a_200000731317_100000211476 [0,1,1,0,0,0|1,0,1]=4 1608 B17R2.3378 CC(=NNC1CCSC1)c2cccc(c2)Cl 4a_200000731317_200000210964 [0,1,1,0,0,0|1,0,1]=4 1609 B17R2.3378 CC(=NNC1CCSC1)c2cccc(c2)F 4a_200000731317_100000187083 [0,1,1,0,0,0|1,0,1]=4 1610 B17R2.3378 CC(=NNC1CCSC1)c2cccc(c2)I 4a_200000731317_100011356966 [0,1,1,0,0,0|1,0,1]=4 1611 B17R2.3378 CC(=NNC1CCSC1)c2cccc(c2)O 4a_200000731317_100000211620 [0,1,1,0,0,0|1,0,1]=4 1612 B17R2.3378 Oc1cccc(c1)C(O)CNC2CCCC2 2230a_100020657549_100000179811 [0,1,1,0,0,0|2,0,0]=4 1613 B17R2.3378 Oc1cccc(c1)C(O)CNC2CCCC2 270004a_100020657549_100000210133 [0,1,1,0,0,0|2,0,0]=4 1614 B17R2.3378 Oc1cccc(c1)C(O)CNC2CCCC2 34a_100020657549_100000179811 [0,1,1,0,0,0|2,0,0]=4 1615 B17R2.3378 Oc1cccc(c1)C(O)CNC2CCOC2 2230a_100020657549_100000731011 [0,1,1,0,0,0|1,1,0]=4 1616 B17R2.3378 Oc1cccc(c1)C(O)CNC2CCOC2 270004a_100020657549_100000752484 [0,1,1,0,0,0|1,1,0]=4 1617 B17R2.3378 Oc1cccc(c1)C(O)CNC2CCOC2 34a_100020657549_100000690089 [0,1,1,0,0,0|1,1,0]=4 1618 B17R2.3378 Oc1cccc(c1)C(O)CNC2CCSC2 270004a_100020657549_100000212027 [0,1,1,0,0,0|1,0,0]=3 1619 B17R2.3519 CC(CCN1CCSC1C)c2ccccc2 270004a_200011216479_100000189432 [0,1,1,0,0,0|2,0,0]=4 1620 B17R2.3519 CC(CNC1CCCC1=O)c2ccccc2 2230a_100000701038_100000211823 [0,1,1,0,0,0|1,0,1]=4 1621 B17R2.3519 CC(CNC1CCCC1=O)c2ccccc2 34a_100000701038_100000709159 [0,1,1,0,0,0|1,0,1]=4 1622 B17R2.3519 CC(CNC1CCCC1C)c2ccccc2 269862a_100000701038_100000752053 [0,1,1,0,0,0|1,0,0]=3 1623 B17R2.3519 CC(CNC1CCNC1=O)c2ccccc2 2230a_100016995588_100000756946 [0,1,1,0,0,0|1,0,1]=4 1624 B17R2.3519 CC(CNC1CCNC1=O)c2ccccc2 270004a_100016995588_100000212034 [0,1,1,0,0,0|1,0,1]=4 1625 B17R2.3519 CC(CNC1CCNC1=O)c2ccccc2 34a_100016995588_100000756946 [0,1,1,0,0,0|1,0,1]=4 1626 B17R2.3519 CC(CNC1CCOC1=O)c2ccccc2 2230a_100000701038_100000211211 [0,1,1,0,0,0|0,1,1]=4 1627 B17R2.3519 CC(CNC1CCOC1=O)c2ccccc2 34a_100000701038_100000211211 [0,1,1,0,0,0|0,1,1]=4 1628 B17R2.3519 CC(CNC1CCOC1C)c2ccccc2 270004a_100000701038_100000691750 [0,1,1,0,0,0|0,1,0]=3 1629 B17R2.3519 CC(CNC1COCC1O)c2ccccc2 34a_100000701038_200000725654 [0,1,1,0,0,0|0,1,0]=3 1630 B17R2.3519 CC(CN[C@H]1CCC[C@@H]1O)c2ccccc2 270004a_100000748460_100000212034 [0,1,1,0,0,0|1,0,0]=3 1631 B17R2.3519 CC(CN[C@H]1COC[C@@H]1O)c2ccccc2 2230a_100015191717_100000756946 [0,1,1,0,0,0|0,1,0]=3 1632 B17R2.3519 CC(CN[C@H]1COC[C@@H]1O)c2ccccc2 270004a_100015191717_100000212034 [0,1,1,0,0,0|0,1,0]=3 1633 B17R2.3519 CC(COC1CCCC1C)c2ccccc2 34a_100011216460_100000756946 [0,1,1,0,0,0|2,0,0]=4 1634 B17R2.3519 CC(COC1CCCC1C)c2ccccc2 7a_100011216460_100000756946 [0,1,1,0,0,0|2,0,0]=4 1635 B17R2.3519 CC(COC1COCC1O)c2ccccc2 34a_100011215166_200000725654 [0,1,1,0,0,0|1,1,0]=4 1636 B17R2.3519 CC(COC1COCC1O)c2ccccc2 7a_100011215166_200000725654 [0,1,1,0,0,0|1,1,0]=4 1637 B17R2.3519 CC(CO[C@@H]1CCC[C@H]1Cl)c2ccccc2 34a_200016002552_100000756946 [0,1,1,0,0,0|2,0,0]=4 1638 B17R2.3519 CC(CO[C@H]1CCC[C@@H]1N)c2ccccc2 34a_100000748460_100000756946 [0,1,1,0,0,0|2,0,0]=4 1639 B17R2.3519 CC(CO[C@H]1CNC[C@H]1C)c2ccccc2 34a_200015306588_100000756946 [0,1,1,0,0,0|2,0,0]=4 1640 B17R2.3519 CC(CO[C@H]1COC[C@@H]1N)c2ccccc2 34a_100015191717_100000756946 [0,1,1,0,0,0|1,1,0]=4 1641 B17R2.3519 CC(CSC1COCC1O)c2ccccc2 62a_100000756946_200000725654 [0,1,1,0,0,0|1,1,0]=4 1642 B17R2.3519 CC(CSC1COCC1O)c2ccccc2 62a_200000725654_100000756946 [0,1,1,0,0,0|1,1,0]=4 1643 B17R2.3519 CC(CS[C@@H]1CCC[C@H]1O)c2ccccc2 62a_100000756946_200016002552 [0,1,1,0,0,0|2,0,0]=4 1644 B17R2.3519 CC(CS[C@@H]1CCC[C@H]1O)c2ccccc2 62a_200016002552_100000756946 [0,1,1,0,0,0|2,0,0]=4 1645 B17R2.3519 CC1CCCC1NCC(O)c2ccccc2 269862a_100000210709_100000752053 [0,1,1,0,0,0|2,0,0]=4 1646 B17R2.3519 CC1OCCC1NCC(O)c2ccccc2 270004a_100000210709_100000691750 [0,1,1,0,0,0|1,1,0]=4 1647 B17R2.3519 OC(CN[C@H]1COC[C@@H]1O)c2ccccc2 2230a_100015191717_100000185958 [0,1,1,0,0,0|1,1,0]=4 1648 B17R2.3519 O[C@H](CN[C@H]1COC[C@@H]1O)c2ccccc2 2230a_100015191717_100011933945 [0,1,1,0,0,0|1,1,0]=4 1649 B17R2.3950 CC(=NNC1CCSC1)c2ccccc2Br 4a_200000731317_100000187085 [0,1,1,0,0,0|1,0,1]=4 1650 B17R2.3950 CC(=NNC1CCSC1)c2ccccc2C 4a_200000731317_100000211656 [0,1,1,0,0,0|1,0,1]=4 1651 B17R2.3950 CC(=NNC1CCSC1)c2ccccc2Cl 4a_200000731317_100000210134 [0,1,1,0,0,0|1,0,1]=4 1652 B17R2.3950 CC(=NNC1CCSC1)c2ccccc2F 4a_200000731317_100000210632 [0,1,1,0,0,0|1,0,1]=4 1653 B17R2.3950 CC(=NNC1CCSC1)c2ccccc2I 4a_200000731317_100000751169 [0,1,1,0,0,0|1,0,1]=4 1654 B17R2.3950 CC(=NNC1CCSC1)c2ccccc2O 4a_200000731317_100000188907 [0,1,1,0,0,0|1,0,1]=4 1655 B17R2.3950 OC(CNC1CCCC1)c2ccccc2Br 2230a_100011236429_100000179811 [0,1,1,0,0,0|2,0,0]=4 1656 B17R2.3950 OC(CNC1CCCC1)c2ccccc2Br 270004a_100011236429_100000210133 [0,1,1,0,0,0|2,0,0]=4 1657 B17R2.3950 OC(CNC1CCCC1)c2ccccc2Cl 2230a_200000759403_100000179811 [0,1,1,0,0,0|2,0,0]=4 1658 B17R2.3950 OC(CNC1CCCC1)c2ccccc2Cl 270004a_200000759403_100000210133 [0,1,1,0,0,0|2,0,0]=4 1659 B17R2.3950 OC(CNC1CCCC1)c2ccccc2Cl 34a_200000759403_100000179811 [0,1,1,0,0,0|2,0,0]=4 1660 B17R2.3950 OC(CNC1CCOC1)c2ccccc2Br 2230a_100011236429_100000731011 [0,1,1,0,0,0|1,1,0]=4 1661 B17R2.3950 OC(CNC1CCOC1)c2ccccc2Br 270004a_100011236429_100000752484 [0,1,1,0,0,0|1,1,0]=4 1662 B17R2.3950 OC(CNC1CCOC1)c2ccccc2Cl 2230a_200000759403_100000731011 [0,1,1,0,0,0|1,1,0]=4 1663 B17R2.3950 OC(CNC1CCOC1)c2ccccc2Cl 270004a_200000759403_100000752484 [0,1,1,0,0,0|1,1,0]=4 1664 B17R2.3950 OC(CNC1CCOC1)c2ccccc2Cl 34a_200000759403_100000690089 [0,1,1,0,0,0|1,1,0]=4 1665 B17R2.3950 OC(CNC1CCSC1)c2ccccc2Br 270004a_100011236429_100000212027 [0,1,1,0,0,0|1,0,0]=3 1666 B17R2.3950 OC(CNC1CCSC1)c2ccccc2Cl 270004a_200000759403_100000212027 [0,1,1,0,0,0|1,0,0]=3 1667 B17R2.17880 CCC(=NNC1CCSC1)c2ccccc2 4a_200000731317_100000210124 [0,1,1,0,0,0|1,0,1]=4 1668 B17R2.17880 CCC(CNC1CC=CC1)c2ccccc2 270004a_100015188752_100000753018 [0,1,1,0,0,0|1,0,1]=4 1669 B17R2.17880 CCC(CNC1CCCC1)c2ccccc2 270004a_100000211070_100000753018 [0,1,1,0,0,0|1,0,0]=3 1670 B17R2.17880 CCC(CN[C@@H]1CCOC1)c2ccccc2 270004a_200015188469_100000753018 [0,1,1,0,0,0|0,1,0]=3 1671 B17R2.17880 CCC(CN[C@H]1CCOC1)c2ccccc2 270004a_100015188467_100000753018 [0,1,1,0,0,0|0,1,0]=3 1672 B17R2.17880 CCC(COC1CCCC1)c2ccccc2 34a_100000752371_100000179811 [0,1,1,0,0,0|2,0,0]=4 1673 B17R2.17880 CCC(COC1CCCC1)c2ccccc2 7a_100000752371_100000179811 [0,1,1,0,0,0|2,0,0]=4 1674 B17R2.17880 CCC(COC1CCOC1)c2ccccc2 34a_100000752371_100000690089 [0,1,1,0,0,0|1,1,0]=4 1675 B17R2.17880 CCC(COC1CCOC1)c2ccccc2 7a_100000752371_100000731011 [0,1,1,0,0,0|1,1,0]=4 1676 B17R2.17880 COC(COC1CCCC1)c2ccccc2 34a_100011215540_100000179811 [0,1,1,0,0,0|2,0,0]=4 1677 B17R2.17880 COC(COC1CCCC1)c2ccccc2 7a_100011215540_100000179811 [0,1,1,0,0,0|2,0,0]=4 1678 B17R2.17880 COC(COC1CCOC1)c2ccccc2 34a_100011215540_100000690089 [0,1,1,0,0,0|1,1,0]=4 1679 B17R2.17880 COC(COC1CCOC1)c2ccccc2 7a_100011215540_100000731011 [0,1,1,0,0,0|1,1,0]=4 1680 B17R2.17880 FCC(=NNC1CCSC1)c2ccccc2 4a_200000731317_100000069468 [0,1,1,0,0,0|1,0,1]=4 1681 B17R2.17880 OCC(=NNC1CCSC1)c2ccccc2 4a_200000731317_100000748912 [0,1,1,0,0,0|1,0,1]=4 1682 B17R2.18474 CC(CC(=O)C1CCCC1)c2ccccc2 1458a_100000183687_100000179811 [0,1,1,0,0,0|2,0,0]=4 1683 B17R2.18474 CC(CC(=O)C1CCCC1)c2ccccc2 1458a_100000210718_100000756946 [0,1,1,0,0,0|2,0,0]=4 1684 B17R2.18474 CC(CC(=O)C1CCOC1)c2ccccc2 1458a_100000183687_100000690089 [0,1,1,0,0,0|1,1,0]=4 1685 B17R2.18474 CC(CC(=O)C1CCOC1)c2ccccc2 1458a_100011219752_100000756946 [0,1,1,0,0,0|1,1,0]=4 1686 B17R2.18474 CC(CC(=O)N1CCSC1)c2ccccc2 11a_100011215254_100000183687 [0,1,1,0,0,0|2,0,0]=4 1687 B17R2.18474 CC(CC(=O)N1CCSC1)c2ccccc2 240690a_100011215254_100000183687 [0,1,1,0,0,0|2,0,0]=4 1688 B17R2.18474 CC(CC(=O)N1CCSC1)c2ccccc2 527a_100011215254_100000183687 [0,1,1,0,0,0|2,0,0]=4 1689 B17R2.18474 CC(CN(C)C1CCCC1)c2ccccc2 2230a_100000207505_100000756946 [0,1,1,0,0,0|1,0,0]=3 1690 B17R2.18474 CC(CN(C)C1CCCC1)c2ccccc2 269982a_100000207505_100000756946 [0,1,1,0,0,0|1,0,0]=3 1691 B17R2.18474 CC(CN(C)C1CCCC1)c2ccccc2 270004a_100000207505_100000212034 [0,1,1,0,0,0|1,0,0]=3 1692 B17R2.18474 CC(CN(C)C1CCCC1)c2ccccc2 34a_100000207505_100000756946 [0,1,1,0,0,0|1,0,0]=3 1693 B17R2.18474 CC(CN(C)C1CCOC1)c2ccccc2 2230a_100016988252_100000756946 [0,1,1,0,0,0|0,1,0]=3 1694 B17R2.18474 CC(CN(C)C1CCOC1)c2ccccc2 269982a_100016988252_100000756946 [0,1,1,0,0,0|0,1,0]=3 1695 B17R2.18474 CC(CN(C)C1CCOC1)c2ccccc2 270004a_100016988252_100000212034 [0,1,1,0,0,0|0,1,0]=3 1696 B17R2.18474 CC(CN(C)C1CCOC1)c2ccccc2 34a_100016988252_100000756946 [0,1,1,0,0,0|0,1,0]=3 1697 B17R2.18474 CN(CC(O)c1ccccc1)C2CCCC2 2230a_100000207505_100000185958 [0,1,1,0,0,0|2,0,0]=4 1698 B17R2.18474 CN(CC(O)c1ccccc1)C2CCCC2 2230a_100000227976_100000179811 [0,1,1,0,0,0|2,0,0]=4 1699 B17R2.18474 CN(CC(O)c1ccccc1)C2CCCC2 269982a_100000227976_100000179811 [0,1,1,0,0,0|2,0,0]=4 1700 B17R2.18474 CN(CC(O)c1ccccc1)C2CCCC2 270004a_100000227976_100000210133 [0,1,1,0,0,0|2,0,0]=4 1701 B17R2.18474 CN(CC(O)c1ccccc1)C2CCCC2 34a_100000207505_100000185958 [0,1,1,0,0,0|2,0,0]=4 1702 B17R2.18474 CN(CC(O)c1ccccc1)C2CCOC2 2230a_100000227976_100000731011 [0,1,1,0,0,0|1,1,0]=4 1703 B17R2.18474 CN(CC(O)c1ccccc1)C2CCOC2 2230a_100016988252_100000185958 [0,1,1,0,0,0|1,1,0]=4 1704 B17R2.18474 CN(CC(O)c1ccccc1)C2CCOC2 269982a_100000227976_100000731011 [0,1,1,0,0,0|1,1,0]=4 1705 B17R2.18474 CN(CC(O)c1ccccc1)C2CCOC2 270004a_100000227976_100000752484 [0,1,1,0,0,0|1,1,0]=4 1706 B17R2.18474 CN(CC(O)c1ccccc1)C2CCOC2 34a_100016988252_100000185958 [0,1,1,0,0,0|1,1,0]=4 1707 B17R2.18474 CN(CC(O)c1ccccc1)C2CCSC2 270004a_100000227976_100000212027 [0,1,1,0,0,0|1,0,0]=3 1708 B17R2.18474 CN(C[C@@H](O)c1ccccc1)C2CCCC2 2230a_100000207505_100011933945 [0,1,1,0,0,0|2,0,0]=4 1709 B17R2.18474 CN(C[C@@H](O)c1ccccc1)C2CCCC2 34a_100000207505_100011933945 [0,1,1,0,0,0|2,0,0]=4 1710 B17R2.18474 CN(C[C@@H](O)c1ccccc1)C2CCOC2 2230a_100016988252_100011933945 [0,1,1,0,0,0|1,1,0]=4 1711 B17R2.18474 CN(C[C@@H](O)c1ccccc1)C2CCOC2 34a_100016988252_100011933945 [0,1,1,0,0,0|1,1,0]=4 1712 B17R2.154272 CC(C)(CNC1CCCC1)c2ccccc2 2230a_100011211644_100000179811 [0,1,1,0,0,0|1,0,0]=3 1713 B17R2.154272 CC(C)(CNC1CCCC1)c2ccccc2 270004a_100011211644_100000210133 [0,1,1,0,0,0|1,0,0]=3 1714 B17R2.154272 CC(C)(CNC1CCOC1)c2ccccc2 2230a_100011211644_100000731011 [0,1,1,0,0,0|0,1,0]=3 1715 B17R2.154272 CC(C)(CNC1CCOC1)c2ccccc2 270004a_100011211644_100000752484 [0,1,1,0,0,0|0,1,0]=3 1716 B17R2.154272 CC(C)(CNC1CCSC1)c2ccccc2 270004a_100011211644_100000212027 [0,1,1,0,0,0|0,0,0]=2 1717 B17R2.154272 CC(C)(COC1CCCC1)c2ccccc2 7a_100000747608_100000179811 [0,1,1,0,0,0|2,0,0]=4 1718 B17R2.154272 CC(C)(COC1CCOC1)c2ccccc2 7a_100000747608_100000731011 [0,1,1,0,0,0|1,1,0]=4 1719 B17R2.154272 CC(C)(CSC1CCCC1)c2ccccc2 62a_100000703224_100000179811 [0,1,1,0,0,0|2,0,0]=4 1720 B17R2.154272 CC(C)(CSC1CCCC1)c2ccccc2 62a_100011217020_100000703224 [0,1,1,0,0,0|2,0,0]=4 1721 B17R2.154272 CC(C)(CSC1CCOC1)c2ccccc2 62a_100000703224_100000690089 [0,1,1,0,0,0|1,1,0]=4 1722 B17R2.154272 CC(O)(CNC1CCCC1)c2ccccc2 2230a_100011660926_100000179811 [0,1,1,0,0,0|1,0,0]=3 1723 B17R2.154272 CC(O)(CNC1CCCC1)c2ccccc2 270004a_100011660926_100000210133 [0,1,1,0,0,0|1,0,0]=3 1724 B17R2.154272 CC(O)(CNC1CCOC1)c2ccccc2 2230a_100011660926_100000731011 [0,1,1,0,0,0|0,1,0]=3 1725 B17R2.154272 CC(O)(CNC1CCOC1)c2ccccc2 270004a_100011660926_100000752484 [0,1,1,0,0,0|0,1,0]=3 1726 B17R2.154272 CC(O)(CNC1CCSC1)c2ccccc2 270004a_100011660926_100000212027 [0,1,1,0,0,0|0,0,0]=2 1727 B17R2.154272 C[Si](C)(CNC1CCCC1)c2ccccc2 2230a_100000211070_100000038972 [0,1,1,0,0,0|1,1,0]=4 1728 B17R2.154272 C[Si](C)(CN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000038972 [0,1,1,0,0,0|0,2,0]=4 1729 B17R2.154272 C[Si](C)(CN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000038972 [0,1,1,0,0,0|0,2,0]=4 1730 B17R2.154272 C[Si](C)(COC1CCSC1)c2ccccc2 7a_100011232664_100000038972 [0,1,1,0,0,0|1,1,0]=4 1731 B17R2.154272 FC(F)(CNC1CCCC1)c2ccccc2 270004a_100000717977_100000210133 [0,1,1,0,0,0|2,0,0]=4 1732 B17R2.154272 FC(F)(CNC1CCCC1)c2ccccc2 34a_100000211070_100009875531 [0,1,1,0,0,0|2,0,0]=4 1733 B17R2.154272 FC(F)(CNC1CCCC1)c2ccccc2 34a_100000717977_100000179811 [0,1,1,0,0,0|2,0,0]=4 1734 B17R2.154272 FC(F)(CNC1CCOC1)c2ccccc2 270004a_100000717977_100000752484 [0,1,1,0,0,0|1,1,0]=4 1735 B17R2.154272 FC(F)(CNC1CCOC1)c2ccccc2 34a_100000717977_100000690089 [0,1,1,0,0,0|1,1,0]=4 1736 B17R2.154272 FC(F)(CNC1CCSC1)c2ccccc2 270004a_100000717977_100000212027 [0,1,1,0,0,0|1,0,0]=3 1737 B17R2.154272 FC(F)(CN[C@H]1CCOC1)c2ccccc2 34a_100015188467_100009875531 [0,1,1,0,0,0|1,1,0]=4 1738 B17R2.295596 CC(CNC1(CCOC1)C)c2ccccc2 2230a_100000693475_100000756946 [0,1,1,0,0,0|0,1,0]=3 1739 B17R2.295596 CC(CNC1(CCOC1)C)c2ccccc2 270004a_100000693475_100000212034 [0,1,1,0,0,0|0,1,0]=3 1740 B17R2.295596 CC(COC1(CCCC1)C)c2ccccc2 34a_100000751722_100000756946 [0,1,1,0,0,0|2,0,0]=4 1741 B17R2.295596 CC(COC1(CCCC1)C)c2ccccc2 7a_100000751722_100000756946 [0,1,1,0,0,0|2,0,0]=4 1742 B17R2.295596 CC1(CCOC1)NCC(O)c2ccccc2 2230a_100000693475_100000185958 [0,1,1,0,0,0|1,1,0]=4 1743 B17R2.295596 CC1(CCOC1)NC[C@@H](O)c2ccccc2 2230a_100000693475_100011933945 [0,1,1,0,0,0|1,1,0]=4 1744 B17R3.3096 O=C1CCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100009892977 [0,1,0,0,1,0|0,0,1]=3 1745 B17R3.7012 O=C(C1CCC1)C2CC2c3cccnc3 1458a_100000746292_100000749161 [0,1,0,0,1,0|2,0,0]=4 1746 B17R3.7012 O=C(C1CCC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000749161 [0,1,0,0,1,0|1,0,0]=3 1747 B17R3.7012 O=C(C1COC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000687716 [0,1,0,0,1,0|1,1,0]=4 1748 B17R3.7012 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCC3 11a_100000754969_100009815801 [0,1,0,0,1,0|2,0,0]=4 1749 B17R3.7012 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCC3 240690a_100000754969_100009815801 [0,1,0,0,1,0|2,0,0]=4 1750 B17R3.7012 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCC3 527a_100000754969_100009815801 [0,1,0,0,1,0|2,0,0]=4 1751 B17R3.17887 Brc1ccc(cc1)C2CC2NC3CCC3 34a_100000755575_100000749161 [0,1,0,0,1,0|0,0,0]=2 1752 B17R3.17887 Brc1ccc(cc1)C2CC2NC3COC3 34a_100000755575_100009818527 [0,1,0,0,1,0|0,1,0]=3 1753 B17R3.17887 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCC3 34a_100025713227_100000749161 [0,1,0,0,1,0|0,0,0]=2 1754 B17R3.17887 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3COC3 34a_100025713227_100009818527 [0,1,0,0,1,0|0,1,0]=3 1755 B17R3.27371 Fc1ccccc1C2CC2NC3CCC3 34a_100000753450_100000749161 [0,1,0,0,1,0|0,0,0]=2 1756 B17R3.27371 Fc1ccccc1C2CC2NC3COC3 34a_100000753450_100009818527 [0,1,0,0,1,0|0,1,0]=3 1757 B19R3.3821 Brc1ccc(cc1)C2CC2NC3C=CCCC3 2230a_100000755575_100000751183 [0,1,0,0,0,1|1,0,1]=4 1758 B19R3.3821 Brc1ccc(cc1)C2CC2NC3CCCCC3 34a_100000755575_100000210327 [0,1,0,0,0,1|1,0,0]=3 1759 B19R3.3821 Brc1ccc(cc1)C2CC2NC3CCCOC3 34a_100000755575_100000693364 [0,1,0,0,0,1|0,1,0]=3 1760 B19R3.3821 Brc1ccc(cc1)C2CC2NC3CCSCC3 34a_100000755575_100000069128 [0,1,0,0,0,1|0,0,0]=2 1761 B19R3.3821 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3C=CCCC3 2230a_100025713227_100000751183 [0,1,0,0,0,1|1,0,1]=4 1762 B19R3.3821 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCCCC3 34a_100025713227_100000210327 [0,1,0,0,0,1|1,0,0]=3 1763 B19R3.3821 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCCOC3 34a_100025713227_100000693364 [0,1,0,0,0,1|0,1,0]=3 1764 B19R3.3821 Fc1ccc(cc1)[C@@H]2C[C@H]2NC3CCSCC3 34a_100025713227_100000069128 [0,1,0,0,0,1|0,0,0]=2 1765 B19R3.5481 Fc1ccccc1C2CC2NC3C=CCCC3 2230a_100000753450_100000751183 [0,1,0,0,0,1|1,0,1]=4 1766 B19R3.5481 Fc1ccccc1C2CC2NC3CCCCC3 34a_100000753450_100000210327 [0,1,0,0,0,1|1,0,0]=3 1767 B19R3.5481 Fc1ccccc1C2CC2NC3CCCOC3 34a_100000753450_100000693364 [0,1,0,0,0,1|0,1,0]=3 1768 B19R3.5481 Fc1ccccc1C2CC2NC3CCSCC3 34a_100000753450_100000069128 [0,1,0,0,0,1|0,0,0]=2 1769 B19R3.9144 FC1CCCCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100015423560 [0,1,0,0,0,1|1,0,0]=3 1770 B19R3.9144 O=C1CCCCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000754470 [0,1,0,0,0,1|1,0,0]=3 1771 B19R3.9144 O=C1CCOCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100012180262 [0,1,0,0,0,1|0,1,0]=3 1772 B19R3.9144 O=C1NCCCC1N[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_100000687798 [0,1,0,0,0,1|1,0,1]=4 1773 B19R3.9144 O=C1NCCCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000687798 [0,1,0,0,0,1|1,0,1]=4 1774 B19R3.9144 OC1CCCCC1N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000038908 [0,1,0,0,0,1|1,0,0]=3 1775 B19R3.13071 CC1CCC(CC1)N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_200011216234 [0,1,0,0,0,1|1,0,0]=3 1776 B19R3.22113 O=C(C1CCCCC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000210327 [0,1,0,0,0,1|2,0,0]=4 1777 B19R3.22113 O=C(C1CCCOC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000693364 [0,1,0,0,0,1|1,1,0]=4 1778 B19R3.22113 O=C(C1CCOCC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100011324220 [0,1,0,0,0,1|1,1,0]=4 1779 B19R3.22113 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCSCC3 11a_100000737611_100009815801 [0,1,0,0,0,1|2,0,0]=4 1780 B19R3.22113 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCSCC3 240690a_100000737611_100009815801 [0,1,0,0,0,1|2,0,0]=4 1781 B19R3.22113 O=C([C@@H]1C[C@H]1c2ccccc2)N3CCSCC3 527a_100000737611_100009815801 [0,1,0,0,0,1|2,0,0]=4 1782 B19R3.8783 CC1CCCC1N[C@H]2C[C@H](C2)c3ccccc3 269862a_102125402554_100000752053 [0,1,0,0,0,1|1,0,0]=3 1783 B19R3.8783 CC1OCCC1N[C@H]2C[C@H](C2)c3ccccc3 270004a_102125402554_100000691750 [0,1,0,0,0,1|0,1,0]=3 1784 B19R3.8783 O=C1CCCC1N[C@H]2C[C@H](C2)c3ccccc3 2230a_102125402554_100000211823 [0,1,0,0,0,1|1,0,1]=4 1785 B19R3.8783 O=C1NCCC1NC2CC(C2)c3ccccc3 270004a_100016995588_100000741317 [0,1,0,0,0,1|1,0,1]=4 1786 B19R3.8783 O=C1OCCC1N[C@H]2C[C@H](C2)c3ccccc3 2230a_102125402554_100000211211 [0,1,0,0,0,1|0,1,1]=4 1787 B19R3.8783 O[C@H]1CCC[C@@H]1NC2CC(C2)c3ccccc3 270004a_100000748460_100000741317 [0,1,0,0,0,1|1,0,0]=3 1788 B19R3.8783 O[C@H]1COC[C@@H]1NC2CC(C2)c3ccccc3 270004a_100015191717_100000741317 [0,1,0,0,0,1|0,1,0]=3 1789 B19R3.51343 CC1CCC(C1)N[C@H]2C[C@H](C2)c3ccccc3 270004a_102125402554_100011215218 [0,1,0,0,0,1|1,0,0]=3 1790 B19R3.51343 CN1CCC(C1)NC2CC(C2)c3ccccc3 270004a_100000744687_100000741317 [0,1,0,0,0,1|1,0,0]=3 1791 B19R3.51343 OC1CCC(C1)N[C@H]2C[C@H](C2)c3ccccc3 270004a_102125402554_100012614533 [0,1,0,0,0,1|1,0,0]=3 1792 B19R3.51343 O[C@@H]1CC[C@@H](C1)NC2CC(C2)c3ccccc3 270004a_100015195300_100000741317 [0,1,0,0,0,1|1,0,0]=3 1793 B19R3.52199 Brc1ccc(cc1)C2CC(C2)NC3CC=CC3 270004a_100015188752_100000741321 [0,1,0,0,0,1|1,0,1]=4 1794 B19R3.52199 Brc1ccc(cc1)C2CC(C2)NC3CCCC3 270004a_100000211070_100000741321 [0,1,0,0,0,1|1,0,0]=3 1795 B19R3.52199 Brc1ccc(cc1)C2CC(C2)N[C@@H]3CCOC3 270004a_200015188469_100000741321 [0,1,0,0,0,1|0,1,0]=3 1796 B19R3.52199 Brc1ccc(cc1)C2CC(C2)N[C@H]3CCOC3 270004a_100015188467_100000741321 [0,1,0,0,0,1|0,1,0]=3 1797 B19R3.52199 Brc1ccc(cc1)C2CC(C2)OC3CCCC3 7a_200000751978_100000179811 [0,1,0,0,0,1|2,0,0]=4 1798 B19R3.52199 Brc1ccc(cc1)C2CC(C2)OC3CCOC3 7a_200000751978_100000731011 [0,1,0,0,0,1|1,1,0]=4 1799 B19R3.52199 Clc1ccc(cc1)C2CC(C2)NC3CC=CC3 270004a_100015188752_100000741320 [0,1,0,0,0,1|1,0,1]=4 1800 B19R3.52199 Clc1ccc(cc1)C2CC(C2)NC3CCCC3 270004a_100000211070_100000741320 [0,1,0,0,0,1|1,0,0]=3 1801 B19R3.52199 Clc1ccc(cc1)C2CC(C2)N[C@@H]3CCOC3 270004a_200015188469_100000741320 [0,1,0,0,0,1|0,1,0]=3 1802 B19R3.52199 Clc1ccc(cc1)C2CC(C2)N[C@H]3CCOC3 270004a_100015188467_100000741320 [0,1,0,0,0,1|0,1,0]=3 1803 B19R3.324024 CN(C1CCCC1)C2CC(C2)c3ccccc3 270004a_100000207505_100000741317 [0,1,0,0,0,1|1,0,0]=3 1804 B19R3.324024 CN(C1CCOC1)C2CC(C2)c3ccccc3 270004a_100016988252_100000741317 [0,1,0,0,0,1|0,1,0]=3 1805 B19R3.324024 O=C(C1CC(C1)c2ccccc2)N3CCSC3 11a_100011215254_100000746226 [0,1,0,0,0,1|2,0,0]=4 1806 B19R3.324024 O=C(C1CC(C1)c2ccccc2)N3CCSC3 240690a_100011215254_100000746226 [0,1,0,0,0,1|2,0,0]=4 1807 B19R3.324024 O=C(C1CC(C1)c2ccccc2)N3CCSC3 527a_100011215254_100000746226 [0,1,0,0,0,1|2,0,0]=4 1808 B19R3.324024 O=C(C1CCCC1)C2CC(C2)c3ccccc3 1458a_100000746226_100000179811 [0,1,0,0,0,1|2,0,0]=4 1809 B19R3.324024 O=C(C1CCOC1)C2CC(C2)c3ccccc3 1458a_100000746226_100000690089 [0,1,0,0,0,1|1,1,0]=4 1810 B19R3.2246917 CC1(CC(C1)NC2CC=CC2)c3ccccc3 270004a_100015188752_100000062871 [0,1,0,0,0,1|1,0,1]=4 1811 B19R3.2246917 CC1(CC(C1)NC2CCCC2)c3ccccc3 270004a_100000211070_100000062871 [0,1,0,0,0,1|1,0,0]=3 1812 B19R3.2246917 CC1(CC(C1)N[C@@H]2CCOC2)c3ccccc3 270004a_200015188469_100000062871 [0,1,0,0,0,1|0,1,0]=3 1813 B19R3.2246917 CC1(CC(C1)N[C@H]2CCOC2)c3ccccc3 270004a_100015188467_100000062871 [0,1,0,0,0,1|0,1,0]=3 1814 B19R3.2246917 OC1(CC(C1)NC2CCCC2)c3ccccc3 2230a_200025715543_100000179811 [0,1,0,0,0,1|1,0,0]=3 1815 B19R3.2246917 OC1(CC(C1)NC2CCCC2)c3ccccc3 270004a_200025715543_100000210133 [0,1,0,0,0,1|1,0,0]=3 1816 B19R3.2246917 OC1(CC(C1)NC2CCOC2)c3ccccc3 2230a_200025715543_100000731011 [0,1,0,0,0,1|0,1,0]=3 1817 B19R3.2246917 OC1(CC(C1)NC2CCOC2)c3ccccc3 270004a_200025715543_100000752484 [0,1,0,0,0,1|0,1,0]=3 1818 B19R3.2246917 OC1(CC(C1)NC2CCSC2)c3ccccc3 270004a_200025715543_100000212027 [0,1,0,0,0,1|0,0,0]=2 1819 B19R3.2395121 CC1(CCOC1)NC2CC(C2)c3ccccc3 270004a_100000693475_100000741317 [0,1,0,0,0,1|0,1,0]=3 1820 B19R3.3757 CN1CCC(C1)CN[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_200000690779 [0,1,0,0,0,1|1,0,0]=3 1821 B19R3.3757 CN1CCC(C1)OCC2CC2c3ccccc3 7a_100011997005_200012183744 [0,1,0,0,0,1|2,0,0]=4 1822 B19R3.3757 O=C1CC[C@H](N1)CN[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_100015189358 [0,1,0,0,0,1|2,0,0]=4 1823 B19R3.4407 OC1COCC1OCC2CC2c3ccccc3 34a_100011997005_200000725654 [0,1,0,0,0,1|1,1,0]=4 1824 B19R3.4407 OC1COCC1OCC2CC2c3ccccc3 7a_100011997005_200000725654 [0,1,0,0,0,1|1,1,0]=4 1825 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC=CC3 11a_100020588832_100000759439 [0,1,0,0,0,1|1,0,1]=4 1826 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC=CC3 1626a_100020588832_100000759439 [0,1,0,0,0,1|1,0,1]=4 1827 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC=CC3 240690a_100020588832_100000759439 [0,1,0,0,0,1|1,0,1]=4 1828 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CC=CC3 527a_100020588832_100000759439 [0,1,0,0,0,1|1,0,1]=4 1829 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCC3 11a_100020588832_100000210718 [0,1,0,0,0,1|1,0,0]=3 1830 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCC3 1626a_100020588832_100000210718 [0,1,0,0,0,1|1,0,0]=3 1831 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCC3 240690a_100020588832_100000210718 [0,1,0,0,0,1|1,0,0]=3 1832 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCC3 527a_100020588832_100000210718 [0,1,0,0,0,1|1,0,0]=3 1833 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCS3 11a_100020588832_100012002731 [0,1,0,0,0,1|2,0,0]=4 1834 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCS3 1626a_100020588832_100012002731 [0,1,0,0,0,1|2,0,0]=4 1835 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCS3 240690a_100020588832_100012002731 [0,1,0,0,0,1|2,0,0]=4 1836 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCCS3 527a_100020588832_100012002731 [0,1,0,0,0,1|2,0,0]=4 1837 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCOC3 11a_100020588832_100011219752 [0,1,0,0,0,1|0,1,0]=3 1838 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCOC3 1626a_100020588832_100011219752 [0,1,0,0,0,1|0,1,0]=3 1839 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCOC3 240690a_100020588832_100011219752 [0,1,0,0,0,1|0,1,0]=3 1840 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)C3CCOC3 527a_100020588832_100011219752 [0,1,0,0,0,1|0,1,0]=3 1841 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)N3CCCC3 2708a_100020588832_100000188435 [0,1,0,0,0,1|2,0,0]=4 1842 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)N3CCCC3 273464a_100020588832_100000188435 [0,1,0,0,0,1|2,0,0]=4 1843 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)N3CCSC3 2708a_100020588832_100011215254 [0,1,0,0,0,1|1,0,0]=3 1844 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)N3CCSC3 273464a_100020588832_100011215254 [0,1,0,0,0,1|1,0,0]=3 1845 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)[C@@H]3CCCO3 11a_100020588832_100000686382 [0,1,0,0,0,1|2,0,0]=4 1846 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)[C@@H]3CCCO3 1626a_100020588832_100000686382 [0,1,0,0,0,1|2,0,0]=4 1847 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)[C@@H]3CCCO3 240690a_100020588832_100000686382 [0,1,0,0,0,1|2,0,0]=4 1848 B19R3.22101 O=C(N[C@H]1C[C@@H]1c2ccccc2)[C@@H]3CCCO3 527a_100020588832_100000686382 [0,1,0,0,0,1|2,0,0]=4 1849 B19R3.52243 Brc1ccc(cc1)C2CC2NCC3CCCC3 2230a_100000755575_100000740388 [0,1,0,0,0,1|1,0,0]=3 1850 B19R3.52243 Brc1ccc(cc1)C2CC2NCC3CCCC3 34a_100000755575_100000740388 [0,1,0,0,0,1|1,0,0]=3 1851 B19R3.52243 Brc1ccc(cc1)C2CC2NCC3CCCO3 2230a_100000755575_100000203698 [0,1,0,0,0,1|2,0,0]=4 1852 B19R3.52243 Brc1ccc(cc1)C2CC2NCC3CCOC3 2230a_100000755575_100000702531 [0,1,0,0,0,1|0,1,0]=3 1853 B19R3.52243 Brc1ccc(cc1)C2CC2NCC3CCOC3 34a_100000755575_100011261433 [0,1,0,0,0,1|0,1,0]=3 1854 B19R3.52243 Fc1ccc(cc1)[C@@H]2C[C@H]2NCC3CCCC3 2230a_100025713227_100000740388 [0,1,0,0,0,1|1,0,0]=3 1855 B19R3.52243 Fc1ccc(cc1)[C@@H]2C[C@H]2NCC3CCCC3 34a_100025713227_100000740388 [0,1,0,0,0,1|1,0,0]=3 1856 B19R3.52243 Fc1ccc(cc1)[C@@H]2C[C@H]2NCC3CCCO3 2230a_100025713227_100000203698 [0,1,0,0,0,1|2,0,0]=4 1857 B19R3.52243 Fc1ccc(cc1)[C@@H]2C[C@H]2NCC3CCOC3 2230a_100025713227_100000702531 [0,1,0,0,0,1|0,1,0]=3 1858 B19R3.52243 Fc1ccc(cc1)[C@@H]2C[C@H]2NCC3CCOC3 34a_100025713227_100011261433 [0,1,0,0,0,1|0,1,0]=3 1859 B19R3.79874 Fc1ccccc1C2CC2NCC3CCCC3 2230a_100000753450_100000740388 [0,1,0,0,0,1|1,0,0]=3 1860 B19R3.79874 Fc1ccccc1C2CC2NCC3CCCC3 34a_100000753450_100000740388 [0,1,0,0,0,1|1,0,0]=3 1861 B19R3.79874 Fc1ccccc1C2CC2NCC3CCCO3 2230a_100000753450_100000203698 [0,1,0,0,0,1|2,0,0]=4 1862 B19R3.79874 Fc1ccccc1C2CC2NCC3CCOC3 2230a_100000753450_100000702531 [0,1,0,0,0,1|0,1,0]=3 1863 B19R3.79874 Fc1ccccc1C2CC2NCC3CCOC3 34a_100000753450_100011261433 [0,1,0,0,0,1|0,1,0]=3 1864 B19R3.202467 O=C(CC1CCCC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000740388 [0,1,0,0,0,1|2,0,0]=4 1865 B19R3.202467 O=C(CC1CCOC1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000702531 [0,1,0,0,0,1|1,1,0]=4 1866 B19R3.202467 O=C(NC1CC=CC1)[C@@H]2C[C@H]2c3ccccc3 11a_100015188752_100009815801 [0,1,0,0,0,1|1,0,1]=4 1867 B19R3.202467 O=C(NC1CC=CC1)[C@@H]2C[C@H]2c3ccccc3 240690a_100015188752_100009815801 [0,1,0,0,0,1|1,0,1]=4 1868 B19R3.202467 O=C(NC1CC=CC1)[C@@H]2C[C@H]2c3ccccc3 527a_100015188752_100009815801 [0,1,0,0,0,1|1,0,1]=4 1869 B19R3.202467 O=C(NC1CCCC1)C2CC2c3cccnc3 11a_100000211070_100000746292 [0,1,0,0,0,1|2,0,0]=4 1870 B19R3.202467 O=C(NC1CCCC1)C2CC2c3cccnc3 1626a_100000211070_100000746292 [0,1,0,0,0,1|2,0,0]=4 1871 B19R3.202467 O=C(NC1CCCC1)C2CC2c3cccnc3 240690a_100000211070_100000746292 [0,1,0,0,0,1|2,0,0]=4 1872 B19R3.202467 O=C(NC1CCCC1)C2CC2c3cccnc3 527a_100000211070_100000746292 [0,1,0,0,0,1|2,0,0]=4 1873 B19R3.202467 O=C(NC1CCCC1)[C@@H]2C[C@H]2c3ccccc3 11a_100000211070_100009815801 [0,1,0,0,0,1|1,0,0]=3 1874 B19R3.202467 O=C(NC1CCCC1)[C@@H]2C[C@H]2c3ccccc3 240690a_100000211070_100009815801 [0,1,0,0,0,1|1,0,0]=3 1875 B19R3.202467 O=C(NC1CCCC1)[C@@H]2C[C@H]2c3ccccc3 527a_100000211070_100009815801 [0,1,0,0,0,1|1,0,0]=3 1876 B19R3.202467 O=C(N[C@@H]1CCOC1)C2CC2c3cccnc3 240690a_200015188469_100000746292 [0,1,0,0,0,1|1,1,0]=4 1877 B19R3.202467 O=C(N[C@@H]1CCOC1)C2CC2c3cccnc3 527a_200015188469_100000746292 [0,1,0,0,0,1|1,1,0]=4 1878 B19R3.202467 O=C(N[C@@H]1CCOC1)[C@@H]2C[C@H]2c3ccccc3 240690a_200015188469_100009815801 [0,1,0,0,0,1|0,1,0]=3 1879 B19R3.202467 O=C(N[C@@H]1CCOC1)[C@@H]2C[C@H]2c3ccccc3 527a_200015188469_100009815801 [0,1,0,0,0,1|0,1,0]=3 1880 B19R3.202467 O=C(N[C@H]1CCOC1)C2CC2c3cccnc3 11a_100015188467_100000746292 [0,1,0,0,0,1|1,1,0]=4 1881 B19R3.202467 O=C(N[C@H]1CCOC1)C2CC2c3cccnc3 1626a_100015188467_100000746292 [0,1,0,0,0,1|1,1,0]=4 1882 B19R3.202467 O=C(N[C@H]1CCOC1)C2CC2c3cccnc3 240690a_100015188467_100000746292 [0,1,0,0,0,1|1,1,0]=4 1883 B19R3.202467 O=C(N[C@H]1CCOC1)C2CC2c3cccnc3 527a_100015188467_100000746292 [0,1,0,0,0,1|1,1,0]=4 1884 B19R3.202467 O=C(N[C@H]1CCOC1)[C@@H]2C[C@H]2c3ccccc3 11a_100015188467_100009815801 [0,1,0,0,0,1|0,1,0]=3 1885 B19R3.202467 O=C(N[C@H]1CCOC1)[C@@H]2C[C@H]2c3ccccc3 240690a_100015188467_100009815801 [0,1,0,0,0,1|0,1,0]=3 1886 B19R3.202467 O=C(N[C@H]1CCOC1)[C@@H]2C[C@H]2c3ccccc3 527a_100015188467_100009815801 [0,1,0,0,0,1|0,1,0]=3 1887 B19R3.53818 CC1CC(C(=O)O1)N[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_200000216747 [0,2,0,0,0,0|0,1,1]=4 1888 B19R3.53818 CC1CC(C(=O)O1)N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_200000216747 [0,2,0,0,0,0|0,1,1]=4 1889 B19R3.1715821 CN1CCC(C1=O)N[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_100000755940 [0,2,0,0,0,0|1,0,1]=4 1890 B19R3.1715821 CN1CCC(C1=O)N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100000755940 [0,2,0,0,0,0|1,0,1]=4 1891 B19R3.125 COc1ccc(cc1)[C@@H]2C[C@H]2NC3CCCC3 2230a_100102558531_100000179811 [0,2,0,0,0,0|1,0,0]=3 1892 B19R3.125 COc1ccc(cc1)[C@@H]2C[C@H]2NC3CCCC3 34a_100102558531_100000179811 [0,2,0,0,0,0|1,0,0]=3 1893 B19R3.125 COc1ccc(cc1)[C@@H]2C[C@H]2NC3CCOC3 2230a_100102558531_100000731011 [0,2,0,0,0,0|0,1,0]=3 1894 B19R3.125 COc1ccc(cc1)[C@@H]2C[C@H]2NC3CCOC3 34a_100102558531_100000690089 [0,2,0,0,0,0|0,1,0]=3 1895 B19R3.12884 Fc1ccc(cc1F)[C@@H]2C[C@H]2NC3CCCC3 2230a_200009817314_100000179811 [0,2,0,0,0,0|1,0,0]=3 1896 B19R3.12884 Fc1ccc(cc1F)[C@@H]2C[C@H]2NC3CCCC3 34a_200009817314_100000179811 [0,2,0,0,0,0|1,0,0]=3 1897 B19R3.12884 Fc1ccc(cc1F)[C@@H]2C[C@H]2NC3CCOC3 2230a_200009817314_100000731011 [0,2,0,0,0,0|0,1,0]=3 1898 B19R3.12884 Fc1ccc(cc1F)[C@@H]2C[C@H]2NC3CCOC3 34a_200009817314_100000690089 [0,2,0,0,0,0|0,1,0]=3 1899 B19R3.52242 O=C(C1CC1c2ccc(cc2)Cl)N3CCSC3 11a_100011215254_100000235803 [0,2,0,0,0,0|2,0,0]=4 1900 B19R3.52242 O=C(C1CC1c2ccc(cc2)Cl)N3CCSC3 527a_100011215254_100000235803 [0,2,0,0,0,0|2,0,0]=4 1901 B19R3.52242 O=C(C1CC1c2ccc(cc2)F)N3CCSC3 11a_100011215254_200015190327 [0,2,0,0,0,0|2,0,0]=4 1902 B19R3.52242 O=C(C1CC1c2ccc(cc2)F)N3CCSC3 240690a_100011215254_200015190327 [0,2,0,0,0,0|2,0,0]=4 1903 B19R3.52242 O=C(C1CCCC1)C2CC2c3ccc(cc3)Cl 1458a_100000235803_100000179811 [0,2,0,0,0,0|2,0,0]=4 1904 B19R3.52242 O=C(C1CCCC1)C2CC2c3ccc(cc3)F 1458a_200015190327_100000179811 [0,2,0,0,0,0|2,0,0]=4 1905 B19R3.52242 O=C(C1CCCC1)[C@@H]2C[C@H]2c3ccc(cc3)Br 1458a_100010113649_100000179811 [0,2,0,0,0,0|2,0,0]=4 1906 B19R3.52242 O=C(C1CCOC1)C2CC2c3ccc(cc3)Cl 1458a_100000235803_100000690089 [0,2,0,0,0,0|1,1,0]=4 1907 B19R3.52242 O=C(C1CCOC1)C2CC2c3ccc(cc3)F 1458a_200015190327_100000690089 [0,2,0,0,0,0|1,1,0]=4 1908 B19R3.52242 O=C(C1CCOC1)[C@@H]2C[C@H]2c3ccc(cc3)Br 1458a_100010113649_100000690089 [0,2,0,0,0,0|1,1,0]=4 1909 B19R3.52242 O=C([C@@H]1C[C@H]1c2ccc(cc2)Br)N3CCSC3 11a_100011215254_100010113649 [0,2,0,0,0,0|2,0,0]=4 1910 B19R3.52280 O=C1CCCC1NC2CC2c3ccc(cc3)Br 2230a_100000755575_100000211823 [0,2,0,0,0,0|1,0,1]=4 1911 B19R3.52280 O=C1CCCC1NC2CC2c3ccc(cc3)Br 34a_100000755575_100000709159 [0,2,0,0,0,0|1,0,1]=4 1912 B19R3.52280 O=C1CCCC1N[C@@H]2C[C@H]2c3ccc(cc3)F 2230a_100025713227_100000211823 [0,2,0,0,0,0|1,0,1]=4 1913 B19R3.52280 O=C1CCCC1N[C@@H]2C[C@H]2c3ccc(cc3)F 34a_100025713227_100000709159 [0,2,0,0,0,0|1,0,1]=4 1914 B19R3.52280 O=C1OCCC1NC2CC2c3ccc(cc3)Br 2230a_100000755575_100000211211 [0,2,0,0,0,0|0,1,1]=4 1915 B19R3.52280 O=C1OCCC1NC2CC2c3ccc(cc3)Br 34a_100000755575_100000211211 [0,2,0,0,0,0|0,1,1]=4 1916 B19R3.52280 O=C1OCCC1N[C@@H]2C[C@H]2c3ccc(cc3)F 2230a_100025713227_100000211211 [0,2,0,0,0,0|0,1,1]=4 1917 B19R3.52280 O=C1OCCC1N[C@@H]2C[C@H]2c3ccc(cc3)F 34a_100025713227_100000211211 [0,2,0,0,0,0|0,1,1]=4 1918 B19R3.52280 OC1COCC1NC2CC2c3ccc(cc3)Br 34a_100000755575_200000725654 [0,2,0,0,0,0|0,1,0]=3 1919 B19R3.52280 OC1COCC1N[C@@H]2C[C@H]2c3ccc(cc3)F 34a_100025713227_200000725654 [0,2,0,0,0,0|0,1,0]=3 1920 B19R3.54194 O=C(C1CC1c2cccc(c2)Br)N3CCSC3 240690a_100011215254_100000747823 [0,2,0,0,0,0|2,0,0]=4 1921 B19R3.54194 O=C(C1CC1c2cccc(c2)Cl)N3CCSC3 11a_100011215254_100000747819 [0,2,0,0,0,0|2,0,0]=4 1922 B19R3.54194 O=C(C1CCCC1)C2CC2c3cccc(c3)Br 1458a_100000747823_100000179811 [0,2,0,0,0,0|2,0,0]=4 1923 B19R3.54194 O=C(C1CCOC1)C2CC2c3cccc(c3)Br 1458a_100000747823_100000690089 [0,2,0,0,0,0|1,1,0]=4 1924 B19R3.54194 O=C([C@@H]1C[C@H]1c2cccc(c2)F)N3CCSC3 11a_100011215254_100015409224 [0,2,0,0,0,0|2,0,0]=4 1925 B19R3.54194 O=C([C@@H]1C[C@H]1c2cccc(c2)F)N3CCSC3 527a_100011215254_100015409224 [0,2,0,0,0,0|2,0,0]=4 1926 B19R3.79873 O=C(C1CC1c2ccccc2Br)N3CCSC3 240690a_100011215254_100000748278 [0,2,0,0,0,0|2,0,0]=4 1927 B19R3.79873 O=C(C1CC1c2ccccc2Br)N3CCSC3 527a_100011215254_100000748278 [0,2,0,0,0,0|2,0,0]=4 1928 B19R3.79873 O=C(C1CC1c2ccccc2Cl)N3CCSC3 11a_100011215254_100016119764 [0,2,0,0,0,0|2,0,0]=4 1929 B19R3.79873 O=C(C1CC1c2ccccc2Cl)N3CCSC3 240690a_100011215254_100016119764 [0,2,0,0,0,0|2,0,0]=4 1930 B19R3.79873 O=C(C1CC1c2ccccc2Cl)N3CCSC3 527a_100011215254_100016119764 [0,2,0,0,0,0|2,0,0]=4 1931 B19R3.79873 O=C(C1CC1c2ccccc2F)N3CCSC3 11a_100011215254_100015190330 [0,2,0,0,0,0|2,0,0]=4 1932 B19R3.79873 O=C(C1CC1c2ccccc2F)N3CCSC3 240690a_100011215254_100015190330 [0,2,0,0,0,0|2,0,0]=4 1933 B19R3.79873 O=C(C1CC1c2ccccc2F)N3CCSC3 527a_100011215254_100015190330 [0,2,0,0,0,0|2,0,0]=4 1934 B19R3.79873 O=C(C1CCCC1)C2CC2c3ccccc3Br 1458a_100000748278_100000179811 [0,2,0,0,0,0|2,0,0]=4 1935 B19R3.79873 O=C(C1CCCC1)C2CC2c3ccccc3Cl 1458a_100016119764_100000179811 [0,2,0,0,0,0|2,0,0]=4 1936 B19R3.79873 O=C(C1CCOC1)C2CC2c3ccccc3Br 1458a_100000748278_100000690089 [0,2,0,0,0,0|1,1,0]=4 1937 B19R3.79873 O=C(C1CCOC1)C2CC2c3ccccc3Cl 1458a_100016119764_100000690089 [0,2,0,0,0,0|1,1,0]=4 1938 B19R3.79908 O=C1CCCC1NC2CC2c3ccccc3F 2230a_100000753450_100000211823 [0,2,0,0,0,0|1,0,1]=4 1939 B19R3.79908 O=C1CCCC1NC2CC2c3ccccc3F 34a_100000753450_100000709159 [0,2,0,0,0,0|1,0,1]=4 1940 B19R3.79908 O=C1OCCC1NC2CC2c3ccccc3F 2230a_100000753450_100000211211 [0,2,0,0,0,0|0,1,1]=4 1941 B19R3.79908 O=C1OCCC1NC2CC2c3ccccc3F 34a_100000753450_100000211211 [0,2,0,0,0,0|0,1,1]=4 1942 B19R3.79908 OC1COCC1NC2CC2c3ccccc3F 34a_100000753450_200000725654 [0,2,0,0,0,0|0,1,0]=3 1943 B19R3.59942 FC1(CCCC1N[C@H]2C[C@@H]2c3ccccc3)F 34a_100020588832_100119073726 [0,2,0,0,0,0|1,0,0]=3 1944 B19R3.60636 CC1SCCN1C(=O)[C@@H]2C[C@H]2c3ccccc3 11a_200011216479_100009815801 [0,2,0,0,0,0|2,0,0]=4 1945 B19R3.60636 CC1SCCN1C(=O)[C@@H]2C[C@H]2c3ccccc3 240690a_200011216479_100009815801 [0,2,0,0,0,0|2,0,0]=4 1946 B19R3.60636 CC1SCCN1C(=O)[C@@H]2C[C@H]2c3ccccc3 527a_200011216479_100009815801 [0,2,0,0,0,0|2,0,0]=4 1947 B15R1.452 CCC(CC)NCCCc1ccccc1 2230a_100000199018_100000211621 [0,0,2,0,0,0|1,0,0]=3 1948 B15R1.452 CCC(CC)NCCCc1ccccc1 270004a_100000211184_100000210860 [0,0,2,0,0,0|1,0,0]=3 1949 B15R1.452 CCC(CC)NCCCc1ccccn1 270004a_100000689020_100000210860 [0,0,2,0,0,0|2,0,0]=4 1950 B15R1.452 CCC(CC)NCCCc1cccnc1 270004a_100011532358_100000210860 [0,0,2,0,0,0|2,0,0]=4 1951 B15R1.452 CCC(CC)NCCCc1ccncc1 270004a_100011275580_100000210860 [0,0,2,0,0,0|2,0,0]=4 1952 B15R1.452 CCC(CC)NCCOc1ccccc1 2230a_100000199018_100000184471 [0,0,2,0,0,0|2,0,0]=4 1953 B15R1.452 CCC(CC)NCCOc1ccccc1 270004a_100000174943_100000210860 [0,0,2,0,0,0|2,0,0]=4 1954 B15R1.452 CCC(CC)NCCOc1ccccc1 270004a_100000199018_100000758736 [0,0,2,0,0,0|2,0,0]=4 1955 B15R1.452 CCC(CC)NCCSc1ccccc1 2230a_100000199018_100000246102 [0,0,2,0,0,0|2,0,0]=4 1956 B15R1.452 CCC(CC)NCCSc1ccccc1 270004a_100000189519_100000210860 [0,0,2,0,0,0|2,0,0]=4 1957 B15R1.452 CCC(CC)NCOCc1ccccc1 2230a_100000199018_100000763385 [0,0,2,0,0,0|2,0,0]=4 1958 B15R1.452 CCC(CC)NCSCc1ccccc1 2230a_100000199018_200011217039 [0,0,2,0,0,0|2,0,0]=4 1959 B15R1.452 CCC(CC)OCCCc1ccccc1 7a_100000210828_100000210505 [0,0,2,0,0,0|2,0,0]=4 1960 B15R1.452 CCC(CC)OCCCc1ccccc1 7a_100000688536_100000211621 [0,0,2,0,0,0|2,0,0]=4 1961 B15R1.452 CCC(CC)SCCCc1ccccc1 62a_100000210505_100000211621 [0,0,2,0,0,0|2,0,0]=4 1962 B15R1.452 CCC(CC)SCCCc1ccccc1 62a_100000211621_100000210505 [0,0,2,0,0,0|2,0,0]=4 1963 B15R1.452 CC[C@@H](CO)NCCCc1ccccc1 2230a_100000709445_100000211621 [0,0,2,0,0,0|0,1,0]=3 1964 B15R1.452 CC[C@@H](CO)NCCOc1ccccc1 2230a_100000709445_100000184471 [0,0,2,0,0,0|1,1,0]=4 1965 B15R1.452 CC[C@@H](CO)NCCOc1ccccc1 270004a_100000709445_100000758736 [0,0,2,0,0,0|1,1,0]=4 1966 B15R1.452 CC[C@@H](CO)NCCSc1ccccc1 2230a_100000709445_100000246102 [0,0,2,0,0,0|1,1,0]=4 1967 B15R1.452 CC[C@@H](CO)NCOCc1ccccc1 2230a_100000709445_100000763385 [0,0,2,0,0,0|1,1,0]=4 1968 B15R1.452 CC[C@@H](CO)NCSCc1ccccc1 2230a_100000709445_200011217039 [0,0,2,0,0,0|1,1,0]=4 1969 B15R1.452 OCC(CO)NCCCc1ccccc1 2230a_100000759517_100000211621 [0,0,2,0,0,0|1,1,0]=4 1970 B15R1.477 CCC(CC)NC(C)C[n+]1ccccc1 270004a_100000199018_100000034229 [0,0,2,0,0,0|2,0,0]=4 1971 B15R1.477 CCC(CC)NC(C)Cc1ccccn1 270004a_100000238496_100000210860 [0,0,2,0,0,0|2,0,0]=4 1972 B15R1.477 CCC(CC)NC(C)Cc1cccnc1 270004a_100000199018_100015187140 [0,0,2,0,0,0|2,0,0]=4 1973 B15R1.477 CCC(CC)NC(C)Cc1cccnc1 270004a_100011207255_100000210860 [0,0,2,0,0,0|2,0,0]=4 1974 B15R1.477 CCC(CC)NC(C)Cc1ccncc1 270004a_100000199018_100000238508 [0,0,2,0,0,0|2,0,0]=4 1975 B15R1.477 CCC(CC)OC(C)Cc1ccccc1 7a_100000688536_200011218536 [0,0,2,0,0,0|2,0,0]=4 1976 B15R1.477 CCC(CC)OC(C)Cc1ccccc1 7a_100000748627_100000210505 [0,0,2,0,0,0|2,0,0]=4 1977 B15R1.477 CCC(CC)SC(C)Cc1ccccc1 62a_100000210505_200011218536 [0,0,2,0,0,0|2,0,0]=4 1978 B15R1.477 CCC(CC)SC(C)Cc1ccccc1 62a_200011218536_100000210505 [0,0,2,0,0,0|2,0,0]=4 1979 B15R1.477 CC[C@@H](CO)NC(C)C[n+]1ccccc1 270004a_100000709445_100000034229 [0,0,2,0,0,0|1,1,0]=4 1980 B15R1.477 CC[C@@H](CO)NC(C)Cc1cccnc1 270004a_100000709445_100015187140 [0,0,2,0,0,0|1,1,0]=4 1981 B15R1.477 CC[C@@H](CO)NC(C)Cc1ccncc1 270004a_100000709445_100000238508 [0,0,2,0,0,0|1,1,0]=4 1982 B15R1.652 CC(CNC(CO)CO)c1ccccc1 2230a_100000759517_100000756946 [0,0,2,0,0,0|1,1,0]=4 1983 B15R1.652 CCC(CC)NCC(C)c1ccccc1 2230a_100000199018_100000756946 [0,0,2,0,0,0|1,0,0]=3 1984 B15R1.652 CCC(CC)NCC(C)c1ccccc1 270004a_100000199018_100000212034 [0,0,2,0,0,0|1,0,0]=3 1985 B15R1.652 CCC(CC)NCC(C)c1ccccc1 270004a_100000701038_100000210860 [0,0,2,0,0,0|1,0,0]=3 1986 B15R1.652 CCC(CC)NCC(O)c1ccccc1 2230a_100000199018_100000185958 [0,0,2,0,0,0|2,0,0]=4 1987 B15R1.652 CCC(CC)NCC(O)c1ccccc1 270004a_100000210709_100000210860 [0,0,2,0,0,0|2,0,0]=4 1988 B15R1.652 CCC(CC)NC[C@@H](O)c1ccccc1 2230a_100000199018_100011933945 [0,0,2,0,0,0|2,0,0]=4 1989 B15R1.652 CCC(CC)OCC(C)c1ccccc1 7a_100000688536_100000756946 [0,0,2,0,0,0|2,0,0]=4 1990 B15R1.652 CCC(CC)OCC(C)c1ccccc1 7a_100011215166_100000210505 [0,0,2,0,0,0|2,0,0]=4 1991 B15R1.652 CCC(CC)SCC(C)c1ccccc1 62a_100000210505_100000756946 [0,0,2,0,0,0|2,0,0]=4 1992 B15R1.652 CCC(CC)SCC(C)c1ccccc1 62a_100000756946_100000210505 [0,0,2,0,0,0|2,0,0]=4 1993 B15R1.652 CC[C@@H](CO)NCC(C)c1ccccc1 2230a_100000709445_100000756946 [0,0,2,0,0,0|0,1,0]=3 1994 B15R1.652 CC[C@@H](CO)NCC(C)c1ccccc1 270004a_100000709445_100000212034 [0,0,2,0,0,0|0,1,0]=3 1995 B15R1.652 CC[C@@H](CO)NCC(O)c1ccccc1 2230a_100000709445_100000185958 [0,0,2,0,0,0|1,1,0]=4 1996 B15R1.652 CC[C@@H](CO)NC[C@@H](O)c1ccccc1 2230a_100000709445_100011933945 [0,0,2,0,0,0|1,1,0]=4 1997 B15R1.83 C#CCCCNC(C)Cc1ccccc1 34a_100000718082_200011218536 [0,0,2,0,0,0|1,0,1]=4 1998 B15R1.83 C=CCCCNC(C)Cc1ccccc1 34a_100000700776_200011218536 [0,0,2,0,0,0|1,0,1]=4 1999 B15R1.83 CC(Cc1ccccc1)NCCCCO 34a_100000750430_200011218536 [0,0,2,0,0,0|2,0,0]=4 2000 B15R1.83 CCCCCNC(C)C[n+]1ccccc1 270004a_100000209983_100000034229 [0,0,2,0,0,0|2,0,0]=4 2001 B15R1.83 CCCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210326 [0,0,2,0,0,0|2,0,0]=4 2002 B15R1.83 CCCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210326 [0,0,2,0,0,0|2,0,0]=4 2003 B15R1.83 CCCCCNC(C)Cc1cccnc1 270004a_100000209983_100015187140 [0,0,2,0,0,0|2,0,0]=4 2004 B15R1.83 CCCCCNC(C)Cc1ccncc1 270004a_100000209983_100000238508 [0,0,2,0,0,0|2,0,0]=4 2005 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000210253_200011218536 [0,0,2,0,0,0|2,0,0]=4 2006 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000748627_100000718602 [0,0,2,0,0,0|2,0,0]=4 2007 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000210253_200011218536 [0,0,2,0,0,0|2,0,0]=4 2008 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210326 [0,0,2,0,0,0|2,0,0]=4 2009 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_100000210326_200011218536 [0,0,2,0,0,0|2,0,0]=4 2010 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210326 [0,0,2,0,0,0|2,0,0]=4 2011 B15R1.83 CCOCCNC(C)C[n+]1ccccc1 270004a_102516460346_100000034229 [0,0,2,0,0,0|1,1,0]=4 2012 B15R1.83 CCOCCNC(C)Cc1ccccc1 34a_102516460346_200011218536 [0,0,2,0,0,0|0,1,0]=3 2013 B15R1.83 CCOCCNC(C)Cc1ccccn1 2230a_100000238496_100011215890 [0,0,2,0,0,0|1,1,0]=4 2014 B15R1.83 CCOCCNC(C)Cc1cccnc1 2230a_100011207255_100011215890 [0,0,2,0,0,0|1,1,0]=4 2015 B15R1.83 CCOCCNC(C)Cc1cccnc1 270004a_102516460346_100015187140 [0,0,2,0,0,0|1,1,0]=4 2016 B15R1.83 CCOCCNC(C)Cc1ccncc1 270004a_102516460346_100000238508 [0,0,2,0,0,0|1,1,0]=4 2017 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000210136_200011218536 [0,0,2,0,0,0|1,1,0]=4 2018 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000748627_100000210147 [0,0,2,0,0,0|1,1,0]=4 2019 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000210136_200011218536 [0,0,2,0,0,0|1,1,0]=4 2020 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000748627_100011215890 [0,0,2,0,0,0|1,1,0]=4 2021 B15R1.83 CCOCCSC(C)Cc1ccccc1 62a_100000210147_200011218536 [0,0,2,0,0,0|1,1,0]=4 2022 B15R1.83 CCOCCSC(C)Cc1ccccc1 62a_200011218536_100011215890 [0,0,2,0,0,0|1,1,0]=4 2023 B15R1.83 CCSCCNC(C)C[n+]1ccccc1 270004a_100000106463_100000034229 [0,0,2,0,0,0|1,0,0]=3 2024 B15R1.83 CCSCCNC(C)Cc1ccccn1 2230a_100000238496_100000757381 [0,0,2,0,0,0|1,0,0]=3 2025 B15R1.83 CCSCCNC(C)Cc1cccnc1 2230a_100011207255_100000757381 [0,0,2,0,0,0|1,0,0]=3 2026 B15R1.83 CCSCCNC(C)Cc1cccnc1 270004a_100000106463_100015187140 [0,0,2,0,0,0|1,0,0]=3 2027 B15R1.83 CCSCCNC(C)Cc1ccncc1 270004a_100000106463_100000238508 [0,0,2,0,0,0|1,0,0]=3 2028 B15R1.83 CCSCCNC(C)Cc1cnccn1 2230a_100011277835_100000757381 [0,0,2,0,0,0|2,0,0]=4 2029 B15R1.83 CCSCCNC(C)Cc1cnccn1 270004a_100000106463_100015184882 [0,0,2,0,0,0|2,0,0]=4 2030 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000212035_200011218536 [0,0,2,0,0,0|1,0,0]=3 2031 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000748627_100000757381 [0,0,2,0,0,0|1,0,0]=3 2032 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000212035_200011218536 [0,0,2,0,0,0|1,0,0]=3 2033 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000748627_100000757381 [0,0,2,0,0,0|1,0,0]=3 2034 B15R1.83 CCSCCSC(C)Cc1ccccc1 62a_100000757381_200011218536 [0,0,2,0,0,0|1,0,0]=3 2035 B15R1.83 CCSCCSC(C)Cc1ccccc1 62a_200011218536_100000757381 [0,0,2,0,0,0|1,0,0]=3 2036 B15R1.83 CNCCCOC(C)Cc1ccccc1 34a_100000213112_200011218536 [0,0,2,0,0,0|2,0,0]=4 2037 B15R1.83 COCCCNC(C)C[n+]1ccccc1 270004a_100150723488_100000034229 [0,0,2,0,0,0|1,1,0]=4 2038 B15R1.83 COCCCNC(C)Cc1ccccc1 34a_100150723488_200011218536 [0,0,2,0,0,0|0,1,0]=3 2039 B15R1.83 COCCCNC(C)Cc1ccccn1 2230a_100000238496_100000740836 [0,0,2,0,0,0|1,1,0]=4 2040 B15R1.83 COCCCNC(C)Cc1cccnc1 2230a_100011207255_100000740836 [0,0,2,0,0,0|1,1,0]=4 2041 B15R1.83 COCCCNC(C)Cc1cccnc1 270004a_100150723488_100015187140 [0,0,2,0,0,0|1,1,0]=4 2042 B15R1.83 COCCCNC(C)Cc1ccncc1 270004a_100150723488_100000238508 [0,0,2,0,0,0|1,1,0]=4 2043 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000740835_200011218536 [0,0,2,0,0,0|1,1,0]=4 2044 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000748627_100000740836 [0,0,2,0,0,0|1,1,0]=4 2045 B15R1.83 COCCCOC(C)Cc1ccccc1 7a_100000748627_100000740836 [0,0,2,0,0,0|1,1,0]=4 2046 B15R1.83 COCCCSC(C)Cc1ccccc1 62a_100000709357_200011218536 [0,0,2,0,0,0|1,1,0]=4 2047 B15R1.83 COCCCSC(C)Cc1ccccc1 62a_200011218536_100000709357 [0,0,2,0,0,0|1,1,0]=4 2048 B15R1.83 CSCCCNC(C)C[n+]1ccccc1 270004a_100000749238_100000034229 [0,0,2,0,0,0|1,0,0]=3 2049 B15R1.83 CSCCCNC(C)Cc1cccnc1 270004a_100000749238_100015187140 [0,0,2,0,0,0|1,0,0]=3 2050 B15R1.83 CSCCCNC(C)Cc1ccncc1 270004a_100000749238_100000238508 [0,0,2,0,0,0|1,0,0]=3 2051 B15R1.83 CSCCCNC(C)Cc1cnccn1 270004a_100000749238_100015184882 [0,0,2,0,0,0|2,0,0]=4 2052 B15R1.83 CSCCCOC(C)Cc1ccccc1 34a_100000690336_200011218536 [0,0,2,0,0,0|1,0,0]=3 2053 B15R1.83 CSCCCOC(C)Cc1ccccc1 7a_100000690336_200011218536 [0,0,2,0,0,0|1,0,0]=3 2054 B15R1.83 CSCCOCC(C)Cc1ccccc1 34a_100012125295_100000212216 [0,0,2,0,0,0|2,0,0]=4 2055 B15R1.83 CSCCOCC(C)Cc1ccccc1 7a_100012125295_100000212216 [0,0,2,0,0,0|2,0,0]=4 2056 B15R1.809 CC(CCBr)OC(C)Cc1ccccc1 34a_100012276601_200011218536 [0,0,2,0,0,0|2,0,0]=4 2057 B15R1.809 CC(CCO)NC(C)Cc1ccccn1 2230a_100000238496_100009893172 [0,0,2,0,0,0|1,1,0]=4 2058 B15R1.809 CC(CCO)NC(C)Cc1cccnc1 2230a_100011207255_100009893172 [0,0,2,0,0,0|1,1,0]=4 2059 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 34a_100000748627_100009893172 [0,0,2,0,0,0|1,1,0]=4 2060 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 7a_100000748627_100009893172 [0,0,2,0,0,0|1,1,0]=4 2061 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_100009893172_200011218536 [0,0,2,0,0,0|1,1,0]=4 2062 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_200011218536_100009893172 [0,0,2,0,0,0|1,1,0]=4 2063 B15R1.809 CC(C[n+]1ccccc1)N[C@H](C)CCO 270004a_100000706166_100000034229 [0,0,2,0,0,0|1,1,0]=4 2064 B15R1.809 CC(Cc1ccccc1)N[C@H](C)CCO 34a_100000706166_200011218536 [0,0,2,0,0,0|0,1,0]=3 2065 B15R1.809 CC(Cc1cccnc1)N[C@H](C)CCO 270004a_100000706166_100015187140 [0,0,2,0,0,0|1,1,0]=4 2066 B15R1.809 CC(Cc1ccncc1)N[C@H](C)CCO 270004a_100000706166_100000238508 [0,0,2,0,0,0|1,1,0]=4 2067 B15R1.809 CCCC(C)NC(C)C[n+]1ccccc1 270004a_100000741246_100000034229 [0,0,2,0,0,0|2,0,0]=4 2068 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000766640 [0,0,2,0,0,0|2,0,0]=4 2069 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000211909 [0,0,2,0,0,0|2,0,0]=4 2070 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000766640 [0,0,2,0,0,0|2,0,0]=4 2071 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100000741246_100015187140 [0,0,2,0,0,0|2,0,0]=4 2072 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000211909 [0,0,2,0,0,0|2,0,0]=4 2073 B15R1.809 CCCC(C)NC(C)Cc1ccncc1 270004a_100000741246_100000238508 [0,0,2,0,0,0|2,0,0]=4 2074 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000766640 [0,0,2,0,0,0|2,0,0]=4 2075 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000764384_200011218536 [0,0,2,0,0,0|2,0,0]=4 2076 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000766640 [0,0,2,0,0,0|2,0,0]=4 2077 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000764384_200011218536 [0,0,2,0,0,0|2,0,0]=4 2078 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_100000766640_200011218536 [0,0,2,0,0,0|2,0,0]=4 2079 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000766640 [0,0,2,0,0,0|2,0,0]=4 2080 B15R1.809 COCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000765312 [0,0,2,0,0,0|1,1,0]=4 2081 B15R1.809 COCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000749346 [0,0,2,0,0,0|1,1,0]=4 2082 B15R1.809 COCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000765312 [0,0,2,0,0,0|1,1,0]=4 2083 B15R1.809 COCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000749346 [0,0,2,0,0,0|1,1,0]=4 2084 B15R1.809 COCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000765312 [0,0,2,0,0,0|1,1,0]=4 2085 B15R1.809 COCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000765312 [0,0,2,0,0,0|1,1,0]=4 2086 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_100000765312_200011218536 [0,0,2,0,0,0|1,1,0]=4 2087 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000765312 [0,0,2,0,0,0|1,1,0]=4 2088 B15R1.809 COC[C@@H](C)NC(C)C[n+]1ccccc1 270004a_100000764878_100000034229 [0,0,2,0,0,0|1,1,0]=4 2089 B15R1.809 COC[C@@H](C)NC(C)Cc1cccnc1 270004a_100000764878_100015187140 [0,0,2,0,0,0|1,1,0]=4 2090 B15R1.809 COC[C@@H](C)NC(C)Cc1ccncc1 270004a_100000764878_100000238508 [0,0,2,0,0,0|1,1,0]=4 2091 B15R1.809 COC[C@@H](C)OC(C)Cc1ccccc1 34a_100011934205_200011218536 [0,0,2,0,0,0|1,1,0]=4 2092 B15R1.809 CSCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100011216314 [0,0,2,0,0,0|1,0,0]=3 2093 B15R1.809 CSCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100011216314 [0,0,2,0,0,0|1,0,0]=3 2094 B15R1.809 CSCC(C)NC(C)Cc1cnccn1 270004a_100011277835_100011216314 [0,0,2,0,0,0|2,0,0]=4 2095 B15R1.89 CC(CC#N)NCC(C)c1ccccc1 2230a_100000701038_100009813641 [0,0,2,0,0,0|1,0,1]=4 2096 B15R1.89 CC(CCBr)OCC(C)c1ccccc1 34a_100012276601_100000756946 [0,0,2,0,0,0|2,0,0]=4 2097 B15R1.89 CC(CCO)NCC(C)c1ccccc1 2230a_100000701038_100009893172 [0,0,2,0,0,0|0,1,0]=3 2098 B15R1.89 CC(CCO)NCC(C)c1ccccc1 34a_100000701038_100009893172 [0,0,2,0,0,0|0,1,0]=3 2099 B15R1.89 CC(CCO)NCC(O)c1ccccc1 2230a_100000210709_100009893172 [0,0,2,0,0,0|1,1,0]=4 2100 B15R1.89 CC(CCO)OCC(C)c1ccccc1 34a_100011215166_100009893172 [0,0,2,0,0,0|1,1,0]=4 2101 B15R1.89 CC(CCO)OCC(C)c1ccccc1 7a_100011215166_100009893172 [0,0,2,0,0,0|1,1,0]=4 2102 B15R1.89 CC(CCO)SCC(C)c1ccccc1 62a_100000756946_100009893172 [0,0,2,0,0,0|1,1,0]=4 2103 B15R1.89 CC(CCO)SCC(C)c1ccccc1 62a_100009893172_100000756946 [0,0,2,0,0,0|1,1,0]=4 2104 B15R1.89 CC(CN[C@@H](C)CC#N)c1ccccc1 2230a_100016994482_100000756946 [0,0,2,0,0,0|1,0,1]=4 2105 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000756946 [0,0,2,0,0,0|0,1,0]=3 2106 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 270004a_100000706166_100000212034 [0,0,2,0,0,0|0,1,0]=3 2107 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 34a_100000706166_100000756946 [0,0,2,0,0,0|0,1,0]=3 2108 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000766640 [0,0,2,0,0,0|1,0,0]=3 2109 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000741246_100000756946 [0,0,2,0,0,0|1,0,0]=3 2110 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000211909 [0,0,2,0,0,0|1,0,0]=3 2111 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000741246_100000212034 [0,0,2,0,0,0|1,0,0]=3 2112 B15R1.89 CCCC(C)NCC(C)c1ccccc1 34a_100000701038_100000766640 [0,0,2,0,0,0|1,0,0]=3 2113 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000766640 [0,0,2,0,0,0|2,0,0]=4 2114 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000741246_100000185958 [0,0,2,0,0,0|2,0,0]=4 2115 B15R1.89 CCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000211909 [0,0,2,0,0,0|2,0,0]=4 2116 B15R1.89 CCCC(C)NC[C@@H](O)c1ccccc1 2230a_100000741246_100011933945 [0,0,2,0,0,0|2,0,0]=4 2117 B15R1.89 CCCC(C)OCC(C)c1ccccc1 34a_100000764384_100000756946 [0,0,2,0,0,0|2,0,0]=4 2118 B15R1.89 CCCC(C)OCC(C)c1ccccc1 34a_100011215166_100000766640 [0,0,2,0,0,0|2,0,0]=4 2119 B15R1.89 CCCC(C)OCC(C)c1ccccc1 7a_100000764384_100000756946 [0,0,2,0,0,0|2,0,0]=4 2120 B15R1.89 CCCC(C)OCC(C)c1ccccc1 7a_100011215166_100000766640 [0,0,2,0,0,0|2,0,0]=4 2121 B15R1.89 CCCC(C)SCC(C)c1ccccc1 62a_100000756946_100000766640 [0,0,2,0,0,0|2,0,0]=4 2122 B15R1.89 CCCC(C)SCC(C)c1ccccc1 62a_100000766640_100000756946 [0,0,2,0,0,0|2,0,0]=4 2123 B15R1.89 COCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000765312 [0,0,2,0,0,0|0,1,0]=3 2124 B15R1.89 COCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000749346 [0,0,2,0,0,0|0,1,0]=3 2125 B15R1.89 COCC(C)NCC(C)c1ccccc1 34a_100000701038_100000765312 [0,0,2,0,0,0|0,1,0]=3 2126 B15R1.89 COCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000765312 [0,0,2,0,0,0|1,1,0]=4 2127 B15R1.89 COCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000749346 [0,0,2,0,0,0|1,1,0]=4 2128 B15R1.89 COCC(C)OCC(C)c1ccccc1 34a_100011215166_100000765312 [0,0,2,0,0,0|1,1,0]=4 2129 B15R1.89 COCC(C)OCC(C)c1ccccc1 7a_100011215166_100000765312 [0,0,2,0,0,0|1,1,0]=4 2130 B15R1.89 COCC(C)SCC(C)c1ccccc1 62a_100000756946_100000765312 [0,0,2,0,0,0|1,1,0]=4 2131 B15R1.89 COCC(C)SCC(C)c1ccccc1 62a_100000765312_100000756946 [0,0,2,0,0,0|1,1,0]=4 2132 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 2230a_100000764878_100000756946 [0,0,2,0,0,0|0,1,0]=3 2133 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 270004a_100000764878_100000212034 [0,0,2,0,0,0|0,1,0]=3 2134 B15R1.89 COC[C@@H](C)NCC(O)c1ccccc1 2230a_100000764878_100000185958 [0,0,2,0,0,0|1,1,0]=4 2135 B15R1.89 COC[C@@H](C)NC[C@@H](O)c1ccccc1 2230a_100000764878_100011933945 [0,0,2,0,0,0|1,1,0]=4 2136 B15R1.89 COC[C@@H](C)OCC(C)c1ccccc1 34a_100011934205_100000756946 [0,0,2,0,0,0|1,1,0]=4 2137 B15R1.89 CSCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000184570 [0,0,2,0,0,0|1,0,1]=4 2138 B15R1.89 CSCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000184570 [0,0,2,0,0,0|1,0,1]=4 2139 B15R1.89 CSCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000184570 [0,0,2,0,0,0|1,0,1]=4 2140 B15R1.89 CSCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000184570 [0,0,2,0,0,0|1,0,1]=4 2141 B15R1.89 CSCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011216314 [0,0,2,0,0,0|0,0,0]=2 2142 B15R1.89 CSCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011216314 [0,0,2,0,0,0|1,0,0]=3 2143 B15R1.89 CSCC(C)NCC(O)c1ccccn1 270004a_100000691469_100011216314 [0,0,2,0,0,0|2,0,0]=4 2144 B15R1.89 CSCC(C)NCC(O)c1cccnc1 270004a_100020605170_100011216314 [0,0,2,0,0,0|2,0,0]=4 2145 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 2230a_100000706166_100000185958 [0,0,2,0,0,0|1,1,0]=4 2146 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 34a_100000706166_100000185958 [0,0,2,0,0,0|1,1,0]=4 2147 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 2230a_100000706166_100011933945 [0,0,2,0,0,0|1,1,0]=4 2148 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 34a_100000706166_100011933945 [0,0,2,0,0,0|1,1,0]=4 2149 B15R1.778 CC(CC#N)NCCCc1ccccc1 2230a_100000211184_100009813641 [0,0,2,0,0,0|1,0,1]=4 2150 B15R1.778 CC(CCBr)OCCCc1ccccc1 34a_100012276601_100000211621 [0,0,2,0,0,0|2,0,0]=4 2151 B15R1.778 CC(CCO)NCCCc1ccccc1 2230a_100000211184_100009893172 [0,0,2,0,0,0|0,1,0]=3 2152 B15R1.778 CC(CCO)NCCCc1ccccc1 34a_100000211184_100009893172 [0,0,2,0,0,0|0,1,0]=3 2153 B15R1.778 CC(CCO)NCCCc1cccnc1 2230a_100011532358_100009893172 [0,0,2,0,0,0|1,1,0]=4 2154 B15R1.778 CC(CCO)NCCCc1cccnc1 34a_100011532358_100009893172 [0,0,2,0,0,0|1,1,0]=4 2155 B15R1.778 CC(CCO)NCCCc1ccncc1 2230a_100011275580_100009893172 [0,0,2,0,0,0|1,1,0]=4 2156 B15R1.778 CC(CCO)NCCOc1ccccc1 2230a_100000174943_100009893172 [0,0,2,0,0,0|1,1,0]=4 2157 B15R1.778 CC(CCO)NCCOc1ccccc1 34a_100000174943_100009893172 [0,0,2,0,0,0|1,1,0]=4 2158 B15R1.778 CC(CCO)NCCSc1ccccc1 2230a_100000189519_100009893172 [0,0,2,0,0,0|1,1,0]=4 2159 B15R1.778 CC(CCO)OCCCc1ccccc1 34a_100000210828_100009893172 [0,0,2,0,0,0|1,1,0]=4 2160 B15R1.778 CC(CCO)OCCCc1ccccc1 7a_100000210828_100009893172 [0,0,2,0,0,0|1,1,0]=4 2161 B15R1.778 CC(CCO)SCCCc1ccccc1 62a_100000211621_100009893172 [0,0,2,0,0,0|1,1,0]=4 2162 B15R1.778 CC(CCO)SCCCc1ccccc1 62a_100009893172_100000211621 [0,0,2,0,0,0|1,1,0]=4 2163 B15R1.778 CCCC(C)NCCCc1ccccc1 2230a_100000211184_100000766640 [0,0,2,0,0,0|1,0,0]=3 2164 B15R1.778 CCCC(C)NCCCc1ccccc1 2230a_100000741246_100000211621 [0,0,2,0,0,0|1,0,0]=3 2165 B15R1.778 CCCC(C)NCCCc1ccccc1 270004a_100000211184_100000211909 [0,0,2,0,0,0|1,0,0]=3 2166 B15R1.778 CCCC(C)NCCCc1ccccc1 34a_100000211184_100000766640 [0,0,2,0,0,0|1,0,0]=3 2167 B15R1.778 CCCC(C)NCCCc1ccccn1 270004a_100000689020_100000211909 [0,0,2,0,0,0|2,0,0]=4 2168 B15R1.778 CCCC(C)NCCCc1cccnc1 2230a_100011532358_100000766640 [0,0,2,0,0,0|2,0,0]=4 2169 B15R1.778 CCCC(C)NCCCc1cccnc1 270004a_100011532358_100000211909 [0,0,2,0,0,0|2,0,0]=4 2170 B15R1.778 CCCC(C)NCCCc1cccnc1 34a_100011532358_100000766640 [0,0,2,0,0,0|2,0,0]=4 2171 B15R1.778 CCCC(C)NCCCc1ccncc1 2230a_100011275580_100000766640 [0,0,2,0,0,0|2,0,0]=4 2172 B15R1.778 CCCC(C)NCCCc1ccncc1 270004a_100011275580_100000211909 [0,0,2,0,0,0|2,0,0]=4 2173 B15R1.778 CCCC(C)NCCOc1ccccc1 2230a_100000174943_100000766640 [0,0,2,0,0,0|2,0,0]=4 2174 B15R1.778 CCCC(C)NCCOc1ccccc1 2230a_100000741246_100000184471 [0,0,2,0,0,0|2,0,0]=4 2175 B15R1.778 CCCC(C)NCCOc1ccccc1 270004a_100000174943_100000211909 [0,0,2,0,0,0|2,0,0]=4 2176 B15R1.778 CCCC(C)NCCOc1ccccc1 270004a_100000741246_100000758736 [0,0,2,0,0,0|2,0,0]=4 2177 B15R1.778 CCCC(C)NCCOc1ccccc1 34a_100000174943_100000766640 [0,0,2,0,0,0|2,0,0]=4 2178 B15R1.778 CCCC(C)NCCSc1ccccc1 2230a_100000189519_100000766640 [0,0,2,0,0,0|2,0,0]=4 2179 B15R1.778 CCCC(C)NCCSc1ccccc1 2230a_100000741246_100000246102 [0,0,2,0,0,0|2,0,0]=4 2180 B15R1.778 CCCC(C)NCCSc1ccccc1 270004a_100000189519_100000211909 [0,0,2,0,0,0|2,0,0]=4 2181 B15R1.778 CCCC(C)NCOCc1ccccc1 2230a_100000741246_100000763385 [0,0,2,0,0,0|2,0,0]=4 2182 B15R1.778 CCCC(C)NCSCc1ccccc1 2230a_100000741246_200011217039 [0,0,2,0,0,0|2,0,0]=4 2183 B15R1.778 CCCC(C)OCCCc1ccccc1 34a_100000210828_100000766640 [0,0,2,0,0,0|2,0,0]=4 2184 B15R1.778 CCCC(C)OCCCc1ccccc1 34a_100000764384_100000211621 [0,0,2,0,0,0|2,0,0]=4 2185 B15R1.778 CCCC(C)OCCCc1ccccc1 7a_100000210828_100000766640 [0,0,2,0,0,0|2,0,0]=4 2186 B15R1.778 CCCC(C)OCCCc1ccccc1 7a_100000764384_100000211621 [0,0,2,0,0,0|2,0,0]=4 2187 B15R1.778 CCCC(C)SCCCc1ccccc1 62a_100000211621_100000766640 [0,0,2,0,0,0|2,0,0]=4 2188 B15R1.778 CCCC(C)SCCCc1ccccc1 62a_100000766640_100000211621 [0,0,2,0,0,0|2,0,0]=4 2189 B15R1.778 COCC(C)NCCCc1ccccc1 2230a_100000211184_100000765312 [0,0,2,0,0,0|0,1,0]=3 2190 B15R1.778 COCC(C)NCCCc1ccccc1 270004a_100000211184_100000749346 [0,0,2,0,0,0|0,1,0]=3 2191 B15R1.778 COCC(C)NCCCc1ccccc1 34a_100000211184_100000765312 [0,0,2,0,0,0|0,1,0]=3 2192 B15R1.778 COCC(C)NCCCc1ccccn1 270004a_100000689020_100000749346 [0,0,2,0,0,0|1,1,0]=4 2193 B15R1.778 COCC(C)NCCCc1cccnc1 2230a_100011532358_100000765312 [0,0,2,0,0,0|1,1,0]=4 2194 B15R1.778 COCC(C)NCCCc1cccnc1 270004a_100011532358_100000749346 [0,0,2,0,0,0|1,1,0]=4 2195 B15R1.778 COCC(C)NCCCc1cccnc1 34a_100011532358_100000765312 [0,0,2,0,0,0|1,1,0]=4 2196 B15R1.778 COCC(C)NCCCc1ccncc1 2230a_100011275580_100000765312 [0,0,2,0,0,0|1,1,0]=4 2197 B15R1.778 COCC(C)NCCCc1ccncc1 270004a_100011275580_100000749346 [0,0,2,0,0,0|1,1,0]=4 2198 B15R1.778 COCC(C)NCCOc1ccccc1 2230a_100000174943_100000765312 [0,0,2,0,0,0|1,1,0]=4 2199 B15R1.778 COCC(C)NCCOc1ccccc1 270004a_100000174943_100000749346 [0,0,2,0,0,0|1,1,0]=4 2200 B15R1.778 COCC(C)NCCOc1ccccc1 34a_100000174943_100000765312 [0,0,2,0,0,0|1,1,0]=4 2201 B15R1.778 COCC(C)NCCSc1ccccc1 2230a_100000189519_100000765312 [0,0,2,0,0,0|1,1,0]=4 2202 B15R1.778 COCC(C)NCCSc1ccccc1 270004a_100000189519_100000749346 [0,0,2,0,0,0|1,1,0]=4 2203 B15R1.778 COCC(C)OCCCc1ccccc1 34a_100000210828_100000765312 [0,0,2,0,0,0|1,1,0]=4 2204 B15R1.778 COCC(C)OCCCc1ccccc1 7a_100000210828_100000765312 [0,0,2,0,0,0|1,1,0]=4 2205 B15R1.778 COCC(C)SCCCc1ccccc1 62a_100000211621_100000765312 [0,0,2,0,0,0|1,1,0]=4 2206 B15R1.778 COCC(C)SCCCc1ccccc1 62a_100000765312_100000211621 [0,0,2,0,0,0|1,1,0]=4 2207 B15R1.778 COC[C@@H](C)NCCCc1ccccc1 2230a_100000764878_100000211621 [0,0,2,0,0,0|0,1,0]=3 2208 B15R1.778 COC[C@@H](C)NCCOc1ccccc1 2230a_100000764878_100000184471 [0,0,2,0,0,0|1,1,0]=4 2209 B15R1.778 COC[C@@H](C)NCCOc1ccccc1 270004a_100000764878_100000758736 [0,0,2,0,0,0|1,1,0]=4 2210 B15R1.778 COC[C@@H](C)NCCSc1ccccc1 2230a_100000764878_100000246102 [0,0,2,0,0,0|1,1,0]=4 2211 B15R1.778 COC[C@@H](C)NCOCc1ccccc1 2230a_100000764878_100000763385 [0,0,2,0,0,0|1,1,0]=4 2212 B15R1.778 COC[C@@H](C)NCSCc1ccccc1 2230a_100000764878_200011217039 [0,0,2,0,0,0|1,1,0]=4 2213 B15R1.778 COC[C@@H](C)OCCCc1ccccc1 34a_100011934205_100000211621 [0,0,2,0,0,0|1,1,0]=4 2214 B15R1.778 CSCC(=O)NCCCc1ccccc1 11a_100000211184_100000184570 [0,0,2,0,0,0|1,0,1]=4 2215 B15R1.778 CSCC(=O)NCCCc1ccccc1 1626a_100000211184_100000184570 [0,0,2,0,0,0|1,0,1]=4 2216 B15R1.778 CSCC(=O)NCCCc1ccccc1 240690a_100000211184_100000184570 [0,0,2,0,0,0|1,0,1]=4 2217 B15R1.778 CSCC(=O)NCCCc1ccccc1 527a_100000211184_100000184570 [0,0,2,0,0,0|1,0,1]=4 2218 B15R1.778 CSCC(=O)NCCCc1ccccc1 62a_100000182878_200000210301 [0,0,2,0,0,0|1,0,1]=4 2219 B15R1.778 CSCC(=O)NCCCc1ccccc1 62a_200000210301_100000182878 [0,0,2,0,0,0|1,0,1]=4 2220 B15R1.778 CSCC(C)NC/C=C/c1ccccc1 270004a_100020603302_100011216314 [0,0,2,0,0,0|0,0,2]=4 2221 B15R1.778 CSCC(C)NCCCc1ccccc1 270004a_100000211184_100011216314 [0,0,2,0,0,0|0,0,0]=2 2222 B15R1.778 CSCC(C)NCCCc1ccccn1 270004a_100000689020_100011216314 [0,0,2,0,0,0|1,0,0]=3 2223 B15R1.778 CSCC(C)NCCCc1cccnc1 270004a_100011532358_100011216314 [0,0,2,0,0,0|1,0,0]=3 2224 B15R1.778 CSCC(C)NCCCc1ccncc1 270004a_100011275580_100011216314 [0,0,2,0,0,0|1,0,0]=3 2225 B15R1.778 CSCC(C)NCCOc1ccccc1 270004a_100000174943_100011216314 [0,0,2,0,0,0|1,0,0]=3 2226 B15R1.778 CSCC(C)NCCOc1ccccn1 270004a_106741647558_100011216314 [0,0,2,0,0,0|2,0,0]=4 2227 B15R1.778 CSCC(C)NCCOc1cccnc1 270004a_100000754688_100011216314 [0,0,2,0,0,0|2,0,0]=4 2228 B15R1.778 CSCC(C)NCCOc1ccncc1 270004a_100025717301_100011216314 [0,0,2,0,0,0|2,0,0]=4 2229 B15R1.778 CSCC(C)NCCSc1ccccc1 270004a_100000189519_100011216314 [0,0,2,0,0,0|1,0,0]=3 2230 B15R1.778 CSCN(C)CCCCc1ccccc1 2230a_100000741445_100011218213 [0,0,2,0,0,0|2,0,0]=4 2231 B15R1.778 CSCN(C)CCCCc1ccccc1 269982a_100000741445_100011218213 [0,0,2,0,0,0|2,0,0]=4 2232 B15R1.778 CSCN(C)CCCCc1ccccc1 34a_100000741445_100011218213 [0,0,2,0,0,0|2,0,0]=4 2233 B15R1.778 C[C@@H](CC#N)NCCCc1ccccc1 2230a_100016994482_100000211621 [0,0,2,0,0,0|1,0,1]=4 2234 B15R1.778 C[C@H](CCO)NCCCc1ccccc1 2230a_100000706166_100000211621 [0,0,2,0,0,0|0,1,0]=3 2235 B15R1.778 C[C@H](CCO)NCCCc1ccccc1 34a_100000706166_100000211621 [0,0,2,0,0,0|0,1,0]=3 2236 B15R1.778 C[C@H](CCO)NCCOc1ccccc1 2230a_100000706166_100000184471 [0,0,2,0,0,0|1,1,0]=4 2237 B15R1.778 C[C@H](CCO)NCCOc1ccccc1 270004a_100000706166_100000758736 [0,0,2,0,0,0|1,1,0]=4 2238 B15R1.778 C[C@H](CCO)NCCOc1ccccc1 34a_100000706166_100000184471 [0,0,2,0,0,0|1,1,0]=4 2239 B15R1.778 C[C@H](CCO)NCCSc1ccccc1 2230a_100000706166_100000246102 [0,0,2,0,0,0|1,1,0]=4 2240 B15R1.778 C[C@H](CCO)NCCSc1ccccc1 34a_100000706166_100000246102 [0,0,2,0,0,0|1,1,0]=4 2241 B15R1.778 C[C@H](CCO)NCOCc1ccccc1 2230a_100000706166_100000763385 [0,0,2,0,0,0|1,1,0]=4 2242 B15R1.778 C[C@H](CCO)NCOCc1ccccc1 34a_100000706166_100000763385 [0,0,2,0,0,0|1,1,0]=4 2243 B15R1.778 C[C@H](CCO)NCSCc1ccccc1 2230a_100000706166_200011217039 [0,0,2,0,0,0|1,1,0]=4 2244 B15R1.778 C[C@H](CCO)NCSCc1ccccc1 34a_100000706166_200011217039 [0,0,2,0,0,0|1,1,0]=4 2245 B15R1.778 [13CH3]SCC(=O)NCCCc1ccccc1 62a_100000182878_200025704644 [0,0,2,0,0,0|1,0,1]=4 2246 B15R1.778 [13CH3]SCC(=O)NCCCc1ccccc1 62a_200025704644_100000182878 [0,0,2,0,0,0|1,0,1]=4 2247 B15R1.35 C#CCCCNCCCc1ccccc1 2230a_100000211184_100000731252 [0,0,2,0,0,0|1,0,1]=4 2248 B15R1.35 C#CCCCNCCCc1ccccc1 34a_100000211184_100000695029 [0,0,2,0,0,0|1,0,1]=4 2249 B15R1.35 C#CCCCNCCCc1ccccc1 34a_100000718082_100000211621 [0,0,2,0,0,0|1,0,1]=4 2250 B15R1.35 C=CCCCNCCCc1ccccc1 2230a_100000211184_100011713584 [0,0,2,0,0,0|1,0,1]=4 2251 B15R1.35 C=CCCCNCCCc1ccccc1 2230a_100000700776_100000211621 [0,0,2,0,0,0|1,0,1]=4 2252 B15R1.35 C=CCCCNCCCc1ccccc1 34a_100000211184_100000757094 [0,0,2,0,0,0|1,0,1]=4 2253 B15R1.35 C=CCCCNCCCc1ccccc1 34a_100000700776_100000211621 [0,0,2,0,0,0|1,0,1]=4 2254 B15R1.35 CC/C=C\CNCCCc1ccccc1 2230a_100000211184_100103147603 [0,0,2,0,0,0|1,0,1]=4 2255 B15R1.35 CC/C=C\CNCCCc1ccccc1 34a_100000211184_100103147603 [0,0,2,0,0,0|1,0,1]=4 2256 B15R1.35 CCC#CCNCCCc1ccccc1 2230a_100000211184_100009813939 [0,0,2,0,0,0|1,0,1]=4 2257 B15R1.35 CCC#CCNCCCc1ccccc1 34a_100000211184_100009813939 [0,0,2,0,0,0|1,0,1]=4 2258 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000209983_100000211621 [0,0,2,0,0,0|1,0,0]=3 2259 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000211184_100000210326 [0,0,2,0,0,0|1,0,0]=3 2260 B15R1.35 CCCCCNCCCc1ccccc1 34a_100000211184_100000718602 [0,0,2,0,0,0|1,0,0]=3 2261 B15R1.35 CCCCCNCCCc1cccnc1 2230a_100011532358_100000210326 [0,0,2,0,0,0|2,0,0]=4 2262 B15R1.35 CCCCCNCCCc1cccnc1 34a_100011532358_100000718602 [0,0,2,0,0,0|2,0,0]=4 2263 B15R1.35 CCCCCNCCCc1ccncc1 2230a_100011275580_100000210326 [0,0,2,0,0,0|2,0,0]=4 2264 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000174943_100000210326 [0,0,2,0,0,0|2,0,0]=4 2265 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000209983_100000184471 [0,0,2,0,0,0|2,0,0]=4 2266 B15R1.35 CCCCCNCCOc1ccccc1 270004a_100000209983_100000758736 [0,0,2,0,0,0|2,0,0]=4 2267 B15R1.35 CCCCCNCCOc1ccccc1 34a_100000174943_100000718602 [0,0,2,0,0,0|2,0,0]=4 2268 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000189519_100000210326 [0,0,2,0,0,0|2,0,0]=4 2269 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000209983_100000246102 [0,0,2,0,0,0|2,0,0]=4 2270 B15R1.35 CCCCCNCOCc1ccccc1 2230a_100000209983_100000763385 [0,0,2,0,0,0|2,0,0]=4 2271 B15R1.35 CCCCCNCSCc1ccccc1 2230a_100000209983_200011217039 [0,0,2,0,0,0|2,0,0]=4 2272 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210253_100000211621 [0,0,2,0,0,0|2,0,0]=4 2273 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210828_100000718602 [0,0,2,0,0,0|2,0,0]=4 2274 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210253_100000211621 [0,0,2,0,0,0|2,0,0]=4 2275 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210828_100000210326 [0,0,2,0,0,0|2,0,0]=4 2276 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000210326_100000211621 [0,0,2,0,0,0|2,0,0]=4 2277 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000211621_100000210326 [0,0,2,0,0,0|2,0,0]=4 2278 B15R1.35 CCNCCCCCCc1ccccc1 2230a_100015525214_100011218729 [0,0,2,0,0,0|2,0,0]=4 2279 B15R1.35 CCOCCCCCCc1ccccc1 34a_100011215581_100000210202 [0,0,2,0,0,0|1,1,0]=4 2280 B15R1.35 CCOCCCCCCc1ccccc1 34a_100121572206_100011218729 [0,0,2,0,0,0|1,1,0]=4 2281 B15R1.35 CCOCCCCCCc1ccccc1 7a_100011215581_100000210202 [0,0,2,0,0,0|1,1,0]=4 2282 B15R1.35 CCOCCNCCCc1ccccc1 2230a_100000211184_100011215890 [0,0,2,0,0,0|0,1,0]=3 2283 B15R1.35 CCOCCNCCCc1ccccc1 2230a_102516460346_100000211621 [0,0,2,0,0,0|0,1,0]=3 2284 B15R1.35 CCOCCNCCCc1ccccc1 34a_100000211184_100000210147 [0,0,2,0,0,0|0,1,0]=3 2285 B15R1.35 CCOCCNCCCc1ccccc1 34a_102516460346_100000211621 [0,0,2,0,0,0|0,1,0]=3 2286 B15R1.35 CCOCCNCCCc1cccnc1 2230a_100011532358_100011215890 [0,0,2,0,0,0|1,1,0]=4 2287 B15R1.35 CCOCCNCCCc1cccnc1 34a_100011532358_100000210147 [0,0,2,0,0,0|1,1,0]=4 2288 B15R1.35 CCOCCNCCCc1ccncc1 2230a_100011275580_100011215890 [0,0,2,0,0,0|1,1,0]=4 2289 B15R1.35 CCOCCNCCOc1ccccc1 2230a_100000174943_100011215890 [0,0,2,0,0,0|1,1,0]=4 2290 B15R1.35 CCOCCNCCOc1ccccc1 2230a_102516460346_100000184471 [0,0,2,0,0,0|1,1,0]=4 2291 B15R1.35 CCOCCNCCOc1ccccc1 270004a_102516460346_100000758736 [0,0,2,0,0,0|1,1,0]=4 2292 B15R1.35 CCOCCNCCOc1ccccc1 34a_100000174943_100000210147 [0,0,2,0,0,0|1,1,0]=4 2293 B15R1.35 CCOCCNCCOc1ccccc1 34a_102516460346_100000184471 [0,0,2,0,0,0|1,1,0]=4 2294 B15R1.35 CCOCCNCCSc1ccccc1 2230a_100000189519_100011215890 [0,0,2,0,0,0|1,1,0]=4 2295 B15R1.35 CCOCCNCCSc1ccccc1 2230a_102516460346_100000246102 [0,0,2,0,0,0|1,1,0]=4 2296 B15R1.35 CCOCCNCCSc1ccccc1 34a_102516460346_100000246102 [0,0,2,0,0,0|1,1,0]=4 2297 B15R1.35 CCOCCNCOCc1ccccc1 2230a_102516460346_100000763385 [0,0,2,0,0,0|1,1,0]=4 2298 B15R1.35 CCOCCNCOCc1ccccc1 34a_102516460346_100000763385 [0,0,2,0,0,0|1,1,0]=4 2299 B15R1.35 CCOCCNCSCc1ccccc1 2230a_102516460346_200011217039 [0,0,2,0,0,0|1,1,0]=4 2300 B15R1.35 CCOCCNCSCc1ccccc1 34a_102516460346_200011217039 [0,0,2,0,0,0|1,1,0]=4 2301 B15R1.35 CCOCCOCCCc1ccccc1 34a_100000210136_100000211621 [0,0,2,0,0,0|1,1,0]=4 2302 B15R1.35 CCOCCOCCCc1ccccc1 34a_100000210828_100000210147 [0,0,2,0,0,0|1,1,0]=4 2303 B15R1.35 CCOCCOCCCc1ccccc1 7a_100000210136_100000211621 [0,0,2,0,0,0|1,1,0]=4 2304 B15R1.35 CCOCCOCCCc1ccccc1 7a_100000210828_100011215890 [0,0,2,0,0,0|1,1,0]=4 2305 B15R1.35 CCOCCSCCCc1ccccc1 62a_100000210147_100000211621 [0,0,2,0,0,0|1,1,0]=4 2306 B15R1.35 CCOCCSCCCc1ccccc1 62a_100000211621_100011215890 [0,0,2,0,0,0|1,1,0]=4 2307 B15R1.35 CCSCCCCCCc1ccccc1 62a_100000210202_100011218729 [0,0,2,0,0,0|1,0,0]=3 2308 B15R1.35 CCSCCCCCCc1ccccc1 62a_100011218729_100000210202 [0,0,2,0,0,0|1,0,0]=3 2309 B15R1.35 CCSCCCCCOc1ccccc1 62a_100000210202_200011777167 [0,0,2,0,0,0|2,0,0]=4 2310 B15R1.35 CCSCCCCCOc1ccccc1 62a_200011777167_100000210202 [0,0,2,0,0,0|2,0,0]=4 2311 B15R1.35 CCSCCCCOCc1ccccc1 62a_100000210202_100011219843 [0,0,2,0,0,0|2,0,0]=4 2312 B15R1.35 CCSCCCCOCc1ccccc1 62a_100011219843_100000210202 [0,0,2,0,0,0|2,0,0]=4 2313 B15R1.35 CCSCCCOCCc1ccccc1 34a_100011216438_100000765856 [0,0,2,0,0,0|2,0,0]=4 2314 B15R1.35 CCSCCCOCCc1ccccc1 7a_100011216438_100000765856 [0,0,2,0,0,0|2,0,0]=4 2315 B15R1.35 CCSCCNC/C=C/c1ccccc1 2230a_100000106463_100016265936 [0,0,2,0,0,0|0,0,2]=4 2316 B15R1.35 CCSCCNC/C=C/c1ccccc1 2230a_100020603302_100000757381 [0,0,2,0,0,0|0,0,2]=4 2317 B15R1.35 CCSCCNC/C=C/c1ccccc1 34a_100020603302_100000757381 [0,0,2,0,0,0|0,0,2]=4 2318 B15R1.35 CCSCCNCC#Cc1ccccc1 2230a_100000106463_100011352542 [0,0,2,0,0,0|0,0,2]=4 2319 B15R1.35 CCSCCNCC#Cc1ccccc1 34a_100000735379_100000757381 [0,0,2,0,0,0|0,0,2]=4 2320 B15R1.35 CCSCCNCC=Cc1ccccc1 270004a_100000106463_100000210105 [0,0,2,0,0,0|0,0,2]=4 2321 B15R1.35 CCSCCNCCCc1ccccc1 2230a_100000106463_100000211621 [0,0,2,0,0,0|0,0,0]=2 2322 B15R1.35 CCSCCNCCCc1ccccc1 2230a_100000211184_100000757381 [0,0,2,0,0,0|0,0,0]=2 2323 B15R1.35 CCSCCNCCCc1ccccc1 34a_100000211184_100000757381 [0,0,2,0,0,0|0,0,0]=2 2324 B15R1.35 CCSCCNCCCc1cccnc1 2230a_100011532358_100000757381 [0,0,2,0,0,0|1,0,0]=3 2325 B15R1.35 CCSCCNCCCc1cccnc1 34a_100011532358_100000757381 [0,0,2,0,0,0|1,0,0]=3 2326 B15R1.35 CCSCCNCCCc1ccncc1 2230a_100011275580_100000757381 [0,0,2,0,0,0|1,0,0]=3 2327 B15R1.35 CCSCCNCCOc1ccccc1 2230a_100000106463_100000184471 [0,0,2,0,0,0|1,0,0]=3 2328 B15R1.35 CCSCCNCCOc1ccccc1 2230a_100000174943_100000757381 [0,0,2,0,0,0|1,0,0]=3 2329 B15R1.35 CCSCCNCCOc1ccccc1 270004a_100000106463_100000758736 [0,0,2,0,0,0|1,0,0]=3 2330 B15R1.35 CCSCCNCCOc1ccccc1 34a_100000174943_100000757381 [0,0,2,0,0,0|1,0,0]=3 2331 B15R1.35 CCSCCNCCOc1ccccn1 2230a_106741647558_100000757381 [0,0,2,0,0,0|2,0,0]=4 2332 B15R1.35 CCSCCNCCOc1cccnc1 2230a_100000754688_100000757381 [0,0,2,0,0,0|2,0,0]=4 2333 B15R1.35 CCSCCNCCSc1ccccc1 2230a_100000106463_100000246102 [0,0,2,0,0,0|1,0,0]=3 2334 B15R1.35 CCSCCNCCSc1ccccc1 2230a_100000189519_100000757381 [0,0,2,0,0,0|1,0,0]=3 2335 B15R1.35 CCSCCNCOCc1ccccc1 2230a_100000106463_100000763385 [0,0,2,0,0,0|1,0,0]=3 2336 B15R1.35 CCSCCNCSCc1ccccc1 2230a_100000106463_200011217039 [0,0,2,0,0,0|1,0,0]=3 2337 B15R1.35 CCSCCOCCCc1ccccc1 34a_100000210828_100000757381 [0,0,2,0,0,0|1,0,0]=3 2338 B15R1.35 CCSCCOCCCc1ccccc1 34a_100000212035_100000211621 [0,0,2,0,0,0|1,0,0]=3 2339 B15R1.35 CCSCCOCCCc1ccccc1 7a_100000210828_100000757381 [0,0,2,0,0,0|1,0,0]=3 2340 B15R1.35 CCSCCOCCCc1ccccc1 7a_100000212035_100000211621 [0,0,2,0,0,0|1,0,0]=3 2341 B15R1.35 CCSCCOCCCc1ccccn1 34a_100011215068_100000757381 [0,0,2,0,0,0|2,0,0]=4 2342 B15R1.35 CCSCCOCCCc1cccnc1 34a_100000211284_100000757381 [0,0,2,0,0,0|2,0,0]=4 2343 B15R1.35 CCSCCOCCCc1ccncc1 34a_100000210659_100000757381 [0,0,2,0,0,0|2,0,0]=4 2344 B15R1.35 CCSCCOCCNc1ccccc1 34a_100000211345_100000757381 [0,0,2,0,0,0|2,0,0]=4 2345 B15R1.35 CCSCCOCCOc1ccccc1 34a_100000210260_100000757381 [0,0,2,0,0,0|2,0,0]=4 2346 B15R1.35 CCSCCOCCOc1ccccc1 34a_100000212035_100000184471 [0,0,2,0,0,0|2,0,0]=4 2347 B15R1.35 CCSCCOCCOc1ccccc1 7a_100000210260_100000757381 [0,0,2,0,0,0|2,0,0]=4 2348 B15R1.35 CCSCCOCCOc1ccccc1 7a_100000212035_100000184471 [0,0,2,0,0,0|2,0,0]=4 2349 B15R1.35 CCSCCOCCSc1ccccc1 34a_100000212035_100000246102 [0,0,2,0,0,0|2,0,0]=4 2350 B15R1.35 CCSCCOCCSc1ccccc1 7a_100000212035_100000246102 [0,0,2,0,0,0|2,0,0]=4 2351 B15R1.35 CCSCCOCCSc1ccccc1 7a_100000230494_100000757381 [0,0,2,0,0,0|2,0,0]=4 2352 B15R1.35 CCSCCOCOCc1ccccc1 34a_100000212035_100000763385 [0,0,2,0,0,0|2,0,0]=4 2353 B15R1.35 CCSCCOCSCc1ccccc1 34a_100000212035_200011217039 [0,0,2,0,0,0|2,0,0]=4 2354 B15R1.35 CCSCCSCCCc1ccccc1 62a_100000211621_100000757381 [0,0,2,0,0,0|1,0,0]=3 2355 B15R1.35 CCSCCSCCCc1ccccc1 62a_100000757381_100000211621 [0,0,2,0,0,0|1,0,0]=3 2356 B15R1.35 CCSCCSCCOc1ccccc1 62a_100000184471_100000757381 [0,0,2,0,0,0|2,0,0]=4 2357 B15R1.35 CCSCCSCCOc1ccccc1 62a_100000757381_100000184471 [0,0,2,0,0,0|2,0,0]=4 2358 B15R1.35 CCSCCSCCSc1ccccc1 62a_100000246102_100000757381 [0,0,2,0,0,0|2,0,0]=4 2359 B15R1.35 CCSCCSCCSc1ccccc1 62a_100000757381_100000246102 [0,0,2,0,0,0|2,0,0]=4 2360 B15R1.35 CCSCCSCOCc1ccccc1 62a_100000757381_100000763385 [0,0,2,0,0,0|2,0,0]=4 2361 B15R1.35 CCSCCSCOCc1ccccc1 62a_100000763385_100000757381 [0,0,2,0,0,0|2,0,0]=4 2362 B15R1.35 CCSCCSCSCc1ccccc1 62a_100000757381_200011217039 [0,0,2,0,0,0|2,0,0]=4 2363 B15R1.35 CCSCCSCSCc1ccccc1 62a_200011217039_100000757381 [0,0,2,0,0,0|2,0,0]=4 2364 B15R1.35 CNCCCCCCCc1ccccc1 2230a_106832991635_200009813472 [0,0,2,0,0,0|2,0,0]=4 2365 B15R1.35 CNCCCCCCCc1ccccc1 34a_100102657272_200009813472 [0,0,2,0,0,0|2,0,0]=4 2366 B15R1.35 CNCCCCCCCc1ccccc1 7a_106832991635_200009813472 [0,0,2,0,0,0|2,0,0]=4 2367 B15R1.35 CNCCCOCCCc1ccccc1 34a_100000213112_100000211621 [0,0,2,0,0,0|2,0,0]=4 2368 B15R1.35 COCCCCCCCc1ccccc1 34a_100000042756_200000210301 [0,0,2,0,0,0|1,1,0]=4 2369 B15R1.35 COCCCCCCCc1ccccc1 34a_100138415774_200009813472 [0,0,2,0,0,0|1,1,0]=4 2370 B15R1.35 COCCCCCCCc1ccccc1 7a_100000042756_200000210301 [0,0,2,0,0,0|1,1,0]=4 2371 B15R1.35 COCCCNCCCc1ccccc1 2230a_100000211184_100000740836 [0,0,2,0,0,0|0,1,0]=3 2372 B15R1.35 COCCCNCCCc1ccccc1 34a_100000211184_100000740836 [0,0,2,0,0,0|0,1,0]=3 2373 B15R1.35 COCCCNCCCc1ccccc1 34a_100150723488_100000211621 [0,0,2,0,0,0|0,1,0]=3 2374 B15R1.35 COCCCNCCCc1cccnc1 2230a_100011532358_100000740836 [0,0,2,0,0,0|1,1,0]=4 2375 B15R1.35 COCCCNCCCc1cccnc1 34a_100011532358_100000740836 [0,0,2,0,0,0|1,1,0]=4 2376 B15R1.35 COCCCNCCCc1ccncc1 2230a_100011275580_100000740836 [0,0,2,0,0,0|1,1,0]=4 2377 B15R1.35 COCCCNCCOc1ccccc1 2230a_100000174943_100000740836 [0,0,2,0,0,0|1,1,0]=4 2378 B15R1.35 COCCCNCCOc1ccccc1 270004a_100150723488_100000758736 [0,0,2,0,0,0|1,1,0]=4 2379 B15R1.35 COCCCNCCOc1ccccc1 34a_100000174943_100000740836 [0,0,2,0,0,0|1,1,0]=4 2380 B15R1.35 COCCCNCCOc1ccccc1 34a_100150723488_100000184471 [0,0,2,0,0,0|1,1,0]=4 2381 B15R1.35 COCCCNCCSc1ccccc1 2230a_100000189519_100000740836 [0,0,2,0,0,0|1,1,0]=4 2382 B15R1.35 COCCCNCCSc1ccccc1 34a_100150723488_100000246102 [0,0,2,0,0,0|1,1,0]=4 2383 B15R1.35 COCCCNCOCc1ccccc1 34a_100150723488_100000763385 [0,0,2,0,0,0|1,1,0]=4 2384 B15R1.35 COCCCNCSCc1ccccc1 34a_100150723488_200011217039 [0,0,2,0,0,0|1,1,0]=4 2385 B15R1.35 COCCCOCCCc1ccccc1 34a_100000210828_100000740836 [0,0,2,0,0,0|1,1,0]=4 2386 B15R1.35 COCCCOCCCc1ccccc1 34a_100000740835_100000211621 [0,0,2,0,0,0|1,1,0]=4 2387 B15R1.35 COCCCOCCCc1ccccc1 7a_100000210828_100000740836 [0,0,2,0,0,0|1,1,0]=4 2388 B15R1.35 COCCCSCCCc1ccccc1 62a_100000211621_100000709357 [0,0,2,0,0,0|1,1,0]=4 2389 B15R1.35 COCCCSCCCc1ccccc1 62a_100000709357_100000211621 [0,0,2,0,0,0|1,1,0]=4 2390 B15R1.35 CSCCCCCCCc1ccccc1 62a_200000210301_200009813472 [0,0,2,0,0,0|1,0,0]=3 2391 B15R1.35 CSCCCCCCOc1ccccc1 62a_200000210301_200012047174 [0,0,2,0,0,0|2,0,0]=4 2392 B15R1.35 CSCCCCCOCc1ccccc1 62a_100012032903_200000210301 [0,0,2,0,0,0|2,0,0]=4 2393 B15R1.35 CSCCCCCOCc1ccccc1 62a_200000210301_100012032903 [0,0,2,0,0,0|2,0,0]=4 2394 B15R1.35 CSCCCCOCCc1ccccc1 34a_100011217163_100000765856 [0,0,2,0,0,0|2,0,0]=4 2395 B15R1.35 CSCCCCOCCc1ccccc1 7a_100011217163_100000765856 [0,0,2,0,0,0|2,0,0]=4 2396 B15R1.35 CSCCCNC/C=C/c1ccccc1 2230a_100000749238_100016265936 [0,0,2,0,0,0|0,0,2]=4 2397 B15R1.35 CSCCCNCC#Cc1ccccc1 2230a_100000749238_100011352542 [0,0,2,0,0,0|0,0,2]=4 2398 B15R1.35 CSCCCNCC=Cc1ccccc1 270004a_100000749238_100000210105 [0,0,2,0,0,0|0,0,2]=4 2399 B15R1.35 CSCCCNCCCc1ccccc1 2230a_100000749238_100000211621 [0,0,2,0,0,0|0,0,0]=2 2400 B15R1.35 CSCCCNCCOc1ccccc1 2230a_100000749238_100000184471 [0,0,2,0,0,0|1,0,0]=3 2401 B15R1.35 CSCCCNCCOc1ccccc1 270004a_100000749238_100000758736 [0,0,2,0,0,0|1,0,0]=3 2402 B15R1.35 CSCCCNCCSc1ccccc1 2230a_100000749238_100000246102 [0,0,2,0,0,0|1,0,0]=3 2403 B15R1.35 CSCCCNCOCc1ccccc1 2230a_100000749238_100000763385 [0,0,2,0,0,0|1,0,0]=3 2404 B15R1.35 CSCCCNCSCc1ccccc1 2230a_100000749238_200011217039 [0,0,2,0,0,0|1,0,0]=3 2405 B15R1.35 CSCCCOCCCc1ccccc1 34a_100000690336_100000211621 [0,0,2,0,0,0|1,0,0]=3 2406 B15R1.35 CSCCCOCCCc1ccccc1 7a_100000690336_100000211621 [0,0,2,0,0,0|1,0,0]=3 2407 B15R1.35 CSCCCOCCOc1ccccc1 34a_100000690336_100000184471 [0,0,2,0,0,0|2,0,0]=4 2408 B15R1.35 CSCCCOCCOc1ccccc1 7a_100000690336_100000184471 [0,0,2,0,0,0|2,0,0]=4 2409 B15R1.35 CSCCCOCCSc1ccccc1 34a_100000690336_100000246102 [0,0,2,0,0,0|2,0,0]=4 2410 B15R1.35 CSCCCOCCSc1ccccc1 7a_100000690336_100000246102 [0,0,2,0,0,0|2,0,0]=4 2411 B15R1.35 CSCCCOCOCc1ccccc1 34a_100000690336_100000763385 [0,0,2,0,0,0|2,0,0]=4 2412 B15R1.35 CSCCCOCSCc1ccccc1 34a_100000690336_200011217039 [0,0,2,0,0,0|2,0,0]=4 2413 B15R1.35 CSCCNCCCCc1ccccc1 2230a_100015280158_100000751147 [0,0,2,0,0,0|2,0,0]=4 2414 B15R1.35 CSCCNCCCCc1ccccc1 2230a_100020590264_100000701786 [0,0,2,0,0,0|2,0,0]=4 2415 B15R1.35 CSCCNCCCCc1ccccc1 34a_100015280158_100000212216 [0,0,2,0,0,0|2,0,0]=4 2416 B15R1.35 CSCCOCCCCc1ccccc1 34a_100000230434_100000701786 [0,0,2,0,0,0|2,0,0]=4 2417 B15R1.35 CSCCOCCCCc1ccccc1 34a_100000703073_100000212216 [0,0,2,0,0,0|2,0,0]=4 2418 B15R1.35 CSCCOCCCCc1ccccc1 7a_100000230434_100000701786 [0,0,2,0,0,0|2,0,0]=4 2419 B15R1.35 CSCCOCCCCc1ccccc1 7a_100000703073_100000212216 [0,0,2,0,0,0|2,0,0]=4 2420 B15R1.35 CSCCSCCCCc1ccccc1 62a_100000212216_100000701786 [0,0,2,0,0,0|2,0,0]=4 2421 B15R1.35 CSCCSCCCCc1ccccc1 62a_100000701786_100000751147 [0,0,2,0,0,0|2,0,0]=4 2422 B15R1.35 CSCNCCCCCc1ccccc1 2230a_100000750932_100011218213 [0,0,2,0,0,0|2,0,0]=4 2423 B15R1.35 CSCNCCCCCc1ccccc1 34a_100000750932_100011218213 [0,0,2,0,0,0|2,0,0]=4 2424 B15R1.35 CSCOCCCCCc1ccccc1 34a_200011219639_100011218213 [0,0,2,0,0,0|2,0,0]=4 2425 B15R1.35 CSCSCCCCCc1ccccc1 62a_100011218213_200011217138 [0,0,2,0,0,0|2,0,0]=4 2426 B15R1.35 CSCSCCCCCc1ccccc1 62a_200011217138_100011218213 [0,0,2,0,0,0|2,0,0]=4 2427 B15R1.35 FCCCCNCCCc1ccccc1 2230a_100000211184_100000729493 [0,0,2,0,0,0|2,0,0]=4 2428 B15R1.35 FCCCCNCCCc1ccccc1 34a_100000211184_100000729493 [0,0,2,0,0,0|2,0,0]=4 2429 B15R1.35 FCSCCCCCCc1ccccc1 62a_100011218729_100015361967 [0,0,2,0,0,0|2,0,0]=4 2430 B15R1.35 FCSCCCCCCc1ccccc1 62a_100015361967_100011218729 [0,0,2,0,0,0|2,0,0]=4 2431 B15R1.35 N#CCCCNCCCc1ccccc1 2230a_100000211184_100000687738 [0,0,2,0,0,0|2,0,0]=4 2432 B15R1.35 O=CCCCNCCCc1ccccc1 2230a_100000211184_200011292268 [0,0,2,0,0,0|2,0,0]=4 2433 B15R1.35 OCCCCNCCCc1ccccc1 2230a_100000211184_100000210776 [0,0,2,0,0,0|2,0,0]=4 2434 B15R1.35 OCCCCNCCCc1ccccc1 2230a_100000750430_100000211621 [0,0,2,0,0,0|2,0,0]=4 2435 B15R1.35 OCCCCNCCCc1ccccc1 34a_100000211184_100011216708 [0,0,2,0,0,0|2,0,0]=4 2436 B15R1.35 OCCCCNCCCc1ccccc1 34a_100000750430_100000211621 [0,0,2,0,0,0|2,0,0]=4 2437 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 34a_100000042756_200025704644 [0,0,2,0,0,0|1,1,0]=4 2438 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 7a_100000042756_200025704644 [0,0,2,0,0,0|1,1,0]=4 2439 B15R1.35 [13CH3]SCCCCCCCc1ccccc1 62a_200025704644_200009813472 [0,0,2,0,0,0|1,0,0]=3 2440 B15R1.35 [13CH3]SCCCCCCOc1ccccc1 62a_200025704644_200012047174 [0,0,2,0,0,0|2,0,0]=4 2441 B15R1.35 [13CH3]SCCCCCOCc1ccccc1 62a_100012032903_200025704644 [0,0,2,0,0,0|2,0,0]=4 2442 B15R1.35 [13CH3]SCCCCCOCc1ccccc1 62a_200025704644_100012032903 [0,0,2,0,0,0|2,0,0]=4 2443 B15R1.138 C#CCCCNCC(C)c1ccccc1 2230a_100000701038_100000731252 [0,0,2,0,0,0|1,0,1]=4 2444 B15R1.138 C#CCCCNCC(C)c1ccccc1 270004a_100000718082_100000212034 [0,0,2,0,0,0|1,0,1]=4 2445 B15R1.138 C#CCCCNCC(C)c1ccccc1 34a_100000701038_100000695029 [0,0,2,0,0,0|1,0,1]=4 2446 B15R1.138 C#CCCCNCC(C)c1ccccc1 34a_100000718082_100000756946 [0,0,2,0,0,0|1,0,1]=4 2447 B15R1.138 C=CCCCNCC(C)c1ccccc1 2230a_100000700776_100000756946 [0,0,2,0,0,0|1,0,1]=4 2448 B15R1.138 C=CCCCNCC(C)c1ccccc1 2230a_100000701038_100011713584 [0,0,2,0,0,0|1,0,1]=4 2449 B15R1.138 C=CCCCNCC(C)c1ccccc1 270004a_100000700776_100000212034 [0,0,2,0,0,0|1,0,1]=4 2450 B15R1.138 C=CCCCNCC(C)c1ccccc1 34a_100000700776_100000756946 [0,0,2,0,0,0|1,0,1]=4 2451 B15R1.138 C=CCCCNCC(C)c1ccccc1 34a_100000701038_100000757094 [0,0,2,0,0,0|1,0,1]=4 2452 B15R1.138 CC(CNCCCC#N)c1ccccc1 2230a_100000701038_100000687738 [0,0,2,0,0,0|2,0,0]=4 2453 B15R1.138 CC(CNCCCC=O)c1ccccc1 2230a_100000701038_200011292268 [0,0,2,0,0,0|2,0,0]=4 2454 B15R1.138 CC(CNCCCCF)c1ccccc1 2230a_100000701038_100000729493 [0,0,2,0,0,0|2,0,0]=4 2455 B15R1.138 CC(CNCCCCF)c1ccccc1 34a_100000701038_100000729493 [0,0,2,0,0,0|2,0,0]=4 2456 B15R1.138 CC(CNCCCCO)c1ccccc1 2230a_100000701038_100000210776 [0,0,2,0,0,0|2,0,0]=4 2457 B15R1.138 CC(CNCCCCO)c1ccccc1 2230a_100000750430_100000756946 [0,0,2,0,0,0|2,0,0]=4 2458 B15R1.138 CC(CNCCCCO)c1ccccc1 270004a_100000750430_100000212034 [0,0,2,0,0,0|2,0,0]=4 2459 B15R1.138 CC(CNCCCCO)c1ccccc1 34a_100000701038_100011216708 [0,0,2,0,0,0|2,0,0]=4 2460 B15R1.138 CC(CNCCCCO)c1ccccc1 34a_100000750430_100000756946 [0,0,2,0,0,0|2,0,0]=4 2461 B15R1.138 CC/C=C\CNCC(C)c1ccccc1 2230a_100000701038_100103147603 [0,0,2,0,0,0|1,0,1]=4 2462 B15R1.138 CC/C=C\CNCC(C)c1ccccc1 34a_100000701038_100103147603 [0,0,2,0,0,0|1,0,1]=4 2463 B15R1.138 CCC#CCNCC(C)c1ccccc1 2230a_100000701038_100009813939 [0,0,2,0,0,0|1,0,1]=4 2464 B15R1.138 CCC#CCNCC(C)c1ccccc1 34a_100000701038_100009813939 [0,0,2,0,0,0|1,0,1]=4 2465 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000209983_100000756946 [0,0,2,0,0,0|1,0,0]=3 2466 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000701038_100000210326 [0,0,2,0,0,0|1,0,0]=3 2467 B15R1.138 CCCCCNCC(C)c1ccccc1 270004a_100000209983_100000212034 [0,0,2,0,0,0|1,0,0]=3 2468 B15R1.138 CCCCCNCC(C)c1ccccc1 34a_100000701038_100000718602 [0,0,2,0,0,0|1,0,0]=3 2469 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000209983_100000185958 [0,0,2,0,0,0|2,0,0]=4 2470 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000210709_100000210326 [0,0,2,0,0,0|2,0,0]=4 2471 B15R1.138 CCCCCNC[C@@H](O)c1ccccc1 2230a_100000209983_100011933945 [0,0,2,0,0,0|2,0,0]=4 2472 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100000210253_100000756946 [0,0,2,0,0,0|2,0,0]=4 2473 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100011215166_100000718602 [0,0,2,0,0,0|2,0,0]=4 2474 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100000210253_100000756946 [0,0,2,0,0,0|2,0,0]=4 2475 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100011215166_100000210326 [0,0,2,0,0,0|2,0,0]=4 2476 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000210326_100000756946 [0,0,2,0,0,0|2,0,0]=4 2477 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000756946_100000210326 [0,0,2,0,0,0|2,0,0]=4 2478 B15R1.138 CCOCCNCC(C)c1ccccc1 2230a_100000701038_100011215890 [0,0,2,0,0,0|0,1,0]=3 2479 B15R1.138 CCOCCNCC(C)c1ccccc1 2230a_102516460346_100000756946 [0,0,2,0,0,0|0,1,0]=3 2480 B15R1.138 CCOCCNCC(C)c1ccccc1 270004a_102516460346_100000212034 [0,0,2,0,0,0|0,1,0]=3 2481 B15R1.138 CCOCCNCC(C)c1ccccc1 34a_100000701038_100000210147 [0,0,2,0,0,0|0,1,0]=3 2482 B15R1.138 CCOCCNCC(C)c1ccccc1 34a_102516460346_100000756946 [0,0,2,0,0,0|0,1,0]=3 2483 B15R1.138 CCOCCNCC(O)c1ccccc1 2230a_100000210709_100011215890 [0,0,2,0,0,0|1,1,0]=4 2484 B15R1.138 CCOCCNCC(O)c1ccccc1 2230a_102516460346_100000185958 [0,0,2,0,0,0|1,1,0]=4 2485 B15R1.138 CCOCCNCC(O)c1ccccc1 34a_102516460346_100000185958 [0,0,2,0,0,0|1,1,0]=4 2486 B15R1.138 CCOCCNC[C@@H](O)c1ccccc1 2230a_102516460346_100011933945 [0,0,2,0,0,0|1,1,0]=4 2487 B15R1.138 CCOCCNC[C@@H](O)c1ccccc1 34a_102516460346_100011933945 [0,0,2,0,0,0|1,1,0]=4 2488 B15R1.138 CCOCCOCC(C)c1ccccc1 34a_100000210136_100000756946 [0,0,2,0,0,0|1,1,0]=4 2489 B15R1.138 CCOCCOCC(C)c1ccccc1 34a_100011215166_100000210147 [0,0,2,0,0,0|1,1,0]=4 2490 B15R1.138 CCOCCOCC(C)c1ccccc1 7a_100000210136_100000756946 [0,0,2,0,0,0|1,1,0]=4 2491 B15R1.138 CCOCCOCC(C)c1ccccc1 7a_100011215166_100011215890 [0,0,2,0,0,0|1,1,0]=4 2492 B15R1.138 CCOCCSCC(C)c1ccccc1 62a_100000210147_100000756946 [0,0,2,0,0,0|1,1,0]=4 2493 B15R1.138 CCOCCSCC(C)c1ccccc1 62a_100000756946_100011215890 [0,0,2,0,0,0|1,1,0]=4 2494 B15R1.138 CCSCCCOC(C)c1ccccc1 34a_100011216438_100000211855 [0,0,2,0,0,0|2,0,0]=4 2495 B15R1.138 CCSCCCOC(C)c1ccccc1 7a_100011216438_100000230085 [0,0,2,0,0,0|2,0,0]=4 2496 B15R1.138 CCSCCNCC(C)c1ccccc1 2230a_100000106463_100000756946 [0,0,2,0,0,0|0,0,0]=2 2497 B15R1.138 CCSCCNCC(C)c1ccccc1 2230a_100000701038_100000757381 [0,0,2,0,0,0|0,0,0]=2 2498 B15R1.138 CCSCCNCC(C)c1ccccc1 270004a_100000106463_100000212034 [0,0,2,0,0,0|0,0,0]=2 2499 B15R1.138 CCSCCNCC(C)c1ccccc1 34a_100000701038_100000757381 [0,0,2,0,0,0|0,0,0]=2 2500 B15R1.138 CCSCCNCC(O)c1ccccc1 2230a_100000106463_100000185958 [0,0,2,0,0,0|1,0,0]=3 2501 B15R1.138 CCSCCNCC(O)c1ccccc1 2230a_100000210709_100000757381 [0,0,2,0,0,0|1,0,0]=3 2502 B15R1.138 CCSCCNCC(O)c1ccccn1 2230a_100000691469_100000757381 [0,0,2,0,0,0|2,0,0]=4 2503 B15R1.138 CCSCCNCC(O)c1cccnc1 2230a_100020605170_100000757381 [0,0,2,0,0,0|2,0,0]=4 2504 B15R1.138 CCSCCNC[C@@H](O)c1ccccc1 2230a_100000106463_100011933945 [0,0,2,0,0,0|1,0,0]=3 2505 B15R1.138 CCSCCOCC(C)c1ccccc1 34a_100000212035_100000756946 [0,0,2,0,0,0|1,0,0]=3 2506 B15R1.138 CCSCCOCC(C)c1ccccc1 34a_100011215166_100000757381 [0,0,2,0,0,0|1,0,0]=3 2507 B15R1.138 CCSCCOCC(C)c1ccccc1 7a_100000212035_100000756946 [0,0,2,0,0,0|1,0,0]=3 2508 B15R1.138 CCSCCOCC(C)c1ccccc1 7a_100011215166_100000757381 [0,0,2,0,0,0|1,0,0]=3 2509 B15R1.138 CCSCCOCC(O)c1ccccc1 34a_100000212035_100000185958 [0,0,2,0,0,0|2,0,0]=4 2510 B15R1.138 CCSCCOCC(O)c1ccccc1 7a_100000212035_100000185958 [0,0,2,0,0,0|2,0,0]=4 2511 B15R1.138 CCSCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000757381 [0,0,2,0,0,0|2,0,0]=4 2512 B15R1.138 CCSCCOC[C@@H](O)c1ccccc1 34a_100000212035_100011933945 [0,0,2,0,0,0|2,0,0]=4 2513 B15R1.138 CCSCCOC[C@@H](O)c1ccccc1 7a_100000212035_100011933945 [0,0,2,0,0,0|2,0,0]=4 2514 B15R1.138 CCSCCSCC(C)c1ccccc1 62a_100000756946_100000757381 [0,0,2,0,0,0|1,0,0]=3 2515 B15R1.138 CCSCCSCC(C)c1ccccc1 62a_100000757381_100000756946 [0,0,2,0,0,0|1,0,0]=3 2516 B15R1.138 CCSCCSCC(O)c1ccccc1 62a_100000185958_100000757381 [0,0,2,0,0,0|2,0,0]=4 2517 B15R1.138 CCSCCSCC(O)c1ccccc1 62a_100000757381_100000185958 [0,0,2,0,0,0|2,0,0]=4 2518 B15R1.138 CCSCCSC[C@@H](O)c1ccccc1 62a_100000757381_100011933945 [0,0,2,0,0,0|2,0,0]=4 2519 B15R1.138 CCSCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000757381 [0,0,2,0,0,0|2,0,0]=4 2520 B15R1.138 CNCCCOCC(C)c1ccccc1 34a_100000213112_100000756946 [0,0,2,0,0,0|2,0,0]=4 2521 B15R1.138 COCCCNCC(C)c1ccccc1 2230a_100000701038_100000740836 [0,0,2,0,0,0|0,1,0]=3 2522 B15R1.138 COCCCNCC(C)c1ccccc1 270004a_100150723488_100000212034 [0,0,2,0,0,0|0,1,0]=3 2523 B15R1.138 COCCCNCC(C)c1ccccc1 34a_100000701038_100000740836 [0,0,2,0,0,0|0,1,0]=3 2524 B15R1.138 COCCCNCC(C)c1ccccc1 34a_100150723488_100000756946 [0,0,2,0,0,0|0,1,0]=3 2525 B15R1.138 COCCCNCC(O)c1ccccc1 2230a_100000210709_100000740836 [0,0,2,0,0,0|1,1,0]=4 2526 B15R1.138 COCCCNCC(O)c1ccccc1 34a_100150723488_100000185958 [0,0,2,0,0,0|1,1,0]=4 2527 B15R1.138 COCCCNC[C@@H](O)c1ccccc1 34a_100150723488_100011933945 [0,0,2,0,0,0|1,1,0]=4 2528 B15R1.138 COCCCOCC(C)c1ccccc1 34a_100000740835_100000756946 [0,0,2,0,0,0|1,1,0]=4 2529 B15R1.138 COCCCOCC(C)c1ccccc1 34a_100011215166_100000740836 [0,0,2,0,0,0|1,1,0]=4 2530 B15R1.138 COCCCOCC(C)c1ccccc1 7a_100011215166_100000740836 [0,0,2,0,0,0|1,1,0]=4 2531 B15R1.138 COCCCSCC(C)c1ccccc1 62a_100000709357_100000756946 [0,0,2,0,0,0|1,1,0]=4 2532 B15R1.138 COCCCSCC(C)c1ccccc1 62a_100000756946_100000709357 [0,0,2,0,0,0|1,1,0]=4 2533 B15R1.138 CSCCCCOC(C)c1ccccc1 34a_100011217163_100000211855 [0,0,2,0,0,0|2,0,0]=4 2534 B15R1.138 CSCCCCOC(C)c1ccccc1 7a_100011217163_100000230085 [0,0,2,0,0,0|2,0,0]=4 2535 B15R1.138 CSCCCNCC(C)c1ccccc1 2230a_100000749238_100000756946 [0,0,2,0,0,0|0,0,0]=2 2536 B15R1.138 CSCCCNCC(C)c1ccccc1 270004a_100000749238_100000212034 [0,0,2,0,0,0|0,0,0]=2 2537 B15R1.138 CSCCCNCC(O)c1ccccc1 2230a_100000749238_100000185958 [0,0,2,0,0,0|1,0,0]=3 2538 B15R1.138 CSCCCNC[C@@H](O)c1ccccc1 2230a_100000749238_100011933945 [0,0,2,0,0,0|1,0,0]=3 2539 B15R1.138 CSCCCOCC(C)c1ccccc1 34a_100000690336_100000756946 [0,0,2,0,0,0|1,0,0]=3 2540 B15R1.138 CSCCCOCC(C)c1ccccc1 7a_100000690336_100000756946 [0,0,2,0,0,0|1,0,0]=3 2541 B15R1.138 CSCCCOCC(O)c1ccccc1 34a_100000690336_100000185958 [0,0,2,0,0,0|2,0,0]=4 2542 B15R1.138 CSCCCOCC(O)c1ccccc1 7a_100000690336_100000185958 [0,0,2,0,0,0|2,0,0]=4 2543 B15R1.138 CSCCCOC[C@@H](O)c1ccccc1 34a_100000690336_100011933945 [0,0,2,0,0,0|2,0,0]=4 2544 B15R1.138 CSCCCOC[C@@H](O)c1ccccc1 7a_100000690336_100011933945 [0,0,2,0,0,0|2,0,0]=4 2545 B15R1.138 CSCCNCCC(C)c1ccccc1 270004a_100020590264_100000189432 [0,0,2,0,0,0|2,0,0]=4 2546 B17R3.11606 N#CC1(CC1)N[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100009889376 [0,0,1,1,0,0|1,0,1]=4 2547 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCCC3 2230a_100016998360_100000179811 [0,0,1,1,0,0|1,0,0]=3 2548 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCCC3 269982a_100016998360_100000179811 [0,0,1,1,0,0|1,0,0]=3 2549 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCCC3 270004a_100016998360_100000210133 [0,0,1,1,0,0|1,0,0]=3 2550 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCCC3 34a_100016998360_100000179811 [0,0,1,1,0,0|1,0,0]=3 2551 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCOC3 2230a_100016998360_100000731011 [0,0,1,1,0,0|0,1,0]=3 2552 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCOC3 269982a_100016998360_100000731011 [0,0,1,1,0,0|0,1,0]=3 2553 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCOC3 270004a_100016998360_100000752484 [0,0,1,1,0,0|0,1,0]=3 2554 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCOC3 34a_100016998360_100000690089 [0,0,1,1,0,0|0,1,0]=3 2555 B17R3.1940 c1ccc(cc1)C[C@H]2CN2C3CCSC3 270004a_100016998360_100000212027 [0,0,1,1,0,0|0,0,0]=2 2556 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCCC3 2230a_100000753258_100000179811 [0,0,1,1,0,0|1,0,0]=3 2557 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCCC3 270004a_100000753258_100000210133 [0,0,1,1,0,0|1,0,0]=3 2558 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCCC3 34a_100000211070_100000753484 [0,0,1,1,0,0|1,0,0]=3 2559 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCCC3 34a_100000753258_100000179811 [0,0,1,1,0,0|1,0,0]=3 2560 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCOC3 2230a_100000753258_100000731011 [0,0,1,1,0,0|0,1,0]=3 2561 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCOC3 270004a_100000753258_100000752484 [0,0,1,1,0,0|0,1,0]=3 2562 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCOC3 34a_100000753258_100000690089 [0,0,1,1,0,0|0,1,0]=3 2563 B17R3.8685 c1ccc2c(c1)CC(C2)NC3CCSC3 270004a_100000753258_100000212027 [0,0,1,1,0,0|0,0,0]=2 2564 B17R3.8685 c1ccc2c(c1)CC(C2)N[C@H]3CCOC3 34a_100015188467_100000753484 [0,0,1,1,0,0|0,1,0]=3 2565 B17R3.8685 c1ccc2c(c1)CC(C2)OC3CCCC3 34a_100000210269_100000753484 [0,0,1,1,0,0|2,0,0]=4 2566 B17R3.8685 c1ccc2c(c1)CC(C2)OC3CCCC3 34a_100011215286_100000179811 [0,0,1,1,0,0|2,0,0]=4 2567 B17R3.8685 c1ccc2c(c1)CC(C2)OC3CCCC3 7a_100000210269_100000753484 [0,0,1,1,0,0|2,0,0]=4 2568 B17R3.8685 c1ccc2c(c1)CC(C2)OC3CCOC3 34a_100011215286_100000690089 [0,0,1,1,0,0|1,1,0]=4 2569 B17R3.8685 c1ccc2c(c1)CC(C2)OC3CCSC3 7a_100011232664_100000753484 [0,0,1,1,0,0|1,0,0]=3 2570 B17R3.8685 c1ccc2c(c1)CC(C2)O[C@H]3CCOC3 34a_100000717292_100000753484 [0,0,1,1,0,0|1,1,0]=4 2571 B17R3.8685 c1ccc2c(c1)CC(C2)SC3CCCC3 62a_100011217020_100000753484 [0,0,1,1,0,0|2,0,0]=4 2572 B17R3.8699 c1ccc(cc1)C2CC2COCC3CS3 7a_100011997005_100000031435 [0,0,1,1,0,0|2,0,0]=4 2573 B17R3.8699 c1ccc(cc1)[C@H]2C[C@@H]2NCCC3CC3 2230a_100020588832_100000694398 [0,0,1,1,0,0|1,0,0]=3 2574 B17R3.8699 c1ccc(cc1)[C@H]2C[C@@H]2NCCC3CC3 34a_100020588832_100000694398 [0,0,1,1,0,0|1,0,0]=3 2575 B17R3.8699 c1ccc(cc1)[C@H]2C[C@@H]2NCCC3CO3 2230a_100020588832_100000732470 [0,0,1,1,0,0|0,1,0]=3 2576 B17R3.8699 c1ccc(cc1)[C@H]2C[C@@H]2NCCC3CO3 34a_100020588832_100000732470 [0,0,1,1,0,0|0,1,0]=3 2577 B17R3.8745 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCC3 2230a_100020588832_100000763275 [0,0,1,1,0,0|1,0,0]=3 2578 B17R3.8745 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCC3 34a_100020588832_100000763275 [0,0,1,1,0,0|1,0,0]=3 2579 B17R3.8745 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCO3 2230a_100020588832_100000103362 [0,0,1,1,0,0|0,1,0]=3 2580 B17R3.8745 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCO3 34a_100020588832_100000103362 [0,0,1,1,0,0|0,1,0]=3 2581 B17R3.8745 c1ccc(cc1)[C@H]2C[C@@H]2NCC3COC3 2230a_100020588832_100010264016 [0,0,1,1,0,0|0,1,0]=3 2582 B17R3.8745 c1ccc(cc1)[C@H]2C[C@@H]2NCC3COC3 34a_100020588832_100010264016 [0,0,1,1,0,0|0,1,0]=3 2583 B17R3.1898 c1ccc2c(c1)CC2=NNC3CCSC3 4a_200000731317_100000051409 [0,0,1,1,0,0|1,0,1]=4 2584 B17R3.1898 c1ccc2c(c1)CC2COC3CCCC3 34a_100012476685_100000179811 [0,0,1,1,0,0|2,0,0]=4 2585 B17R3.1898 c1ccc2c(c1)CC2COC3CCCC3 7a_100012476685_100000179811 [0,0,1,1,0,0|2,0,0]=4 2586 B17R3.1898 c1ccc2c(c1)CC2COC3CCOC3 34a_100012476685_100000690089 [0,0,1,1,0,0|1,1,0]=4 2587 B17R3.1898 c1ccc2c(c1)CC2COC3CCOC3 7a_100012476685_100000731011 [0,0,1,1,0,0|1,1,0]=4 2588 B17R3.1920 c1ccc(cc1)C2CCN2C3CCCC3 2230a_100000739605_100000179811 [0,0,1,1,0,0|1,0,0]=3 2589 B17R3.1920 c1ccc(cc1)C2CCN2C3CCCC3 269982a_100000739605_100000179811 [0,0,1,1,0,0|1,0,0]=3 2590 B17R3.1920 c1ccc(cc1)C2CCN2C3CCCC3 270004a_100000739605_100000210133 [0,0,1,1,0,0|1,0,0]=3 2591 B17R3.1920 c1ccc(cc1)C2CCN2C3CCOC3 2230a_100000739605_100000731011 [0,0,1,1,0,0|0,1,0]=3 2592 B17R3.1920 c1ccc(cc1)C2CCN2C3CCOC3 269982a_100000739605_100000731011 [0,0,1,1,0,0|0,1,0]=3 2593 B17R3.1920 c1ccc(cc1)C2CCN2C3CCOC3 270004a_100000739605_100000752484 [0,0,1,1,0,0|0,1,0]=3 2594 B17R3.1920 c1ccc(cc1)C2CCN2C3CCSC3 270004a_100000739605_100000212027 [0,0,1,1,0,0|0,0,0]=2 2595 B17R3.2681 C1=CCC(C1)NC2CCc3c2cccc3 2230a_100015188752_200000721974 [0,0,1,1,0,0|1,0,1]=4 2596 B17R3.2681 C1=CCC(C1)NC2CCc3c2cccc3 269862a_100015188752_100000212051 [0,0,1,1,0,0|1,0,1]=4 2597 B17R3.2681 c1ccc2c(c1)CCC2NC3CCCC3 2230a_100000211070_200000721974 [0,0,1,1,0,0|1,0,0]=3 2598 B17R3.2681 c1ccc2c(c1)CCC2NC3CCCC3 269862a_100000211070_100000212051 [0,0,1,1,0,0|1,0,0]=3 2599 B17R3.2681 c1ccc2c(c1)CCC2N[C@@H]3CCOC3 2230a_200015188469_200000721974 [0,0,1,1,0,0|0,1,0]=3 2600 B17R3.2681 c1ccc2c(c1)CCC2N[C@@H]3CCOC3 269862a_200015188469_100000212051 [0,0,1,1,0,0|0,1,0]=3 2601 B17R3.2681 c1ccc2c(c1)CCC2N[C@H]3CCOC3 2230a_100015188467_200000721974 [0,0,1,1,0,0|0,1,0]=3 2602 B17R3.2681 c1ccc2c(c1)CCC2N[C@H]3CCOC3 269862a_100015188467_100000212051 [0,0,1,1,0,0|0,1,0]=3 2603 B17R3.2681 c1ccc2c(c1)CCC2OC3CCCC3 34a_100000212247_100000179811 [0,0,1,1,0,0|2,0,0]=4 2604 B17R3.2681 c1ccc2c(c1)CCC2OC3CCCC3 7a_100000212247_100000179811 [0,0,1,1,0,0|2,0,0]=4 2605 B17R3.2681 c1ccc2c(c1)CCC2OC3CCOC3 34a_100000212247_100000690089 [0,0,1,1,0,0|1,1,0]=4 2606 B17R3.2681 c1ccc2c(c1)CCC2OC3CCOC3 7a_100000212247_100000731011 [0,0,1,1,0,0|1,1,0]=4 2607 B17R3.2681 c1ccc2c(c1)CCC2SC3CCCC3 62a_100011217020_200000721974 [0,0,1,1,0,0|2,0,0]=4 2608 B17R3.2681 c1ccc2c(c1)CC[C@@H]2NC3CCCC3 2230a_100016989578_100000179811 [0,0,1,1,0,0|1,0,0]=3 2609 B17R3.2681 c1ccc2c(c1)CC[C@@H]2NC3CCCC3 270004a_100016989578_100000210133 [0,0,1,1,0,0|1,0,0]=3 2610 B17R3.2681 c1ccc2c(c1)CC[C@@H]2NC3CCCC3 34a_100016989578_100000179811 [0,0,1,1,0,0|1,0,0]=3 2611 B17R3.2681 c1ccc2c(c1)CC[C@@H]2NC3CCOC3 2230a_100016989578_100000731011 [0,0,1,1,0,0|0,1,0]=3 2612 B17R3.2681 c1ccc2c(c1)CC[C@@H]2NC3CCOC3 270004a_100016989578_100000752484 [0,0,1,1,0,0|0,1,0]=3 2613 B17R3.2681 c1ccc2c(c1)CC[C@@H]2NC3CCOC3 34a_100016989578_100000690089 [0,0,1,1,0,0|0,1,0]=3 2614 B17R3.2681 c1ccc2c(c1)CC[C@@H]2NC3CCSC3 270004a_100016989578_100000212027 [0,0,1,1,0,0|0,0,0]=2 2615 B17R3.2681 c1ccc2c(c1)OCC2NC3CCCC3 2230a_100000747519_100000179811 [0,0,1,1,0,0|2,0,0]=4 2616 B17R3.2681 c1ccc2c(c1)OCC2NC3CCCC3 270004a_100000747519_100000210133 [0,0,1,1,0,0|2,0,0]=4 2617 B17R3.2681 c1ccc2c(c1)OCC2NC3CCOC3 2230a_100000747519_100000731011 [0,0,1,1,0,0|1,1,0]=4 2618 B17R3.2681 c1ccc2c(c1)OCC2NC3CCOC3 270004a_100000747519_100000752484 [0,0,1,1,0,0|1,1,0]=4 2619 B17R3.2681 c1ccc2c(c1)OCC2NC3CCSC3 270004a_100000747519_100000212027 [0,0,1,1,0,0|1,0,0]=3 2620 B17R3.1929 c1cc(ccn1)C2CN(C2)C3CCCC3 269982a_100015185986_100000179811 [0,0,1,1,0,0|2,0,0]=4 2621 B17R3.1929 c1cc(ccn1)C2CN(C2)C3CCCC3 270004a_100015185986_100000210133 [0,0,1,1,0,0|2,0,0]=4 2622 B17R3.1929 c1cc(ccn1)C2CN(C2)C3CCOC3 269982a_100015185986_100000731011 [0,0,1,1,0,0|1,1,0]=4 2623 B17R3.1929 c1cc(ccn1)C2CN(C2)C3CCOC3 270004a_100015185986_100000752484 [0,0,1,1,0,0|1,1,0]=4 2624 B17R3.1929 c1cc(ccn1)C2CN(C2)C3CCSC3 270004a_100015185986_100000212027 [0,0,1,1,0,0|1,0,0]=3 2625 B17R3.1929 c1ccc(cc1)C2CC(C2)N3CCSC3 270004a_100011215254_100000741317 [0,0,1,1,0,0|2,0,0]=4 2626 B17R3.1929 c1cncc(c1)C2CN(C2)C3CCCC3 269982a_100015183634_100000179811 [0,0,1,1,0,0|2,0,0]=4 2627 B17R3.1929 c1cncc(c1)C2CN(C2)C3CCCC3 270004a_100015183634_100000210133 [0,0,1,1,0,0|2,0,0]=4 2628 B17R3.1929 c1cncc(c1)C2CN(C2)C3CCOC3 269982a_100015183634_100000731011 [0,0,1,1,0,0|1,1,0]=4 2629 B17R3.1929 c1cncc(c1)C2CN(C2)C3CCOC3 270004a_100015183634_100000752484 [0,0,1,1,0,0|1,1,0]=4 2630 B17R3.1929 c1cncc(c1)C2CN(C2)C3CCSC3 270004a_100015183634_100000212027 [0,0,1,1,0,0|1,0,0]=3 2631 B15R2.64 CC(C[n+]1ccccc1)N2CCSC2 270004a_100011215254_100000034229 [0,0,1,0,1,0|2,0,0]=4 2632 B15R2.64 CC(Cc1ccccc1)N2CCCC2 269982a_100000188435_200011218536 [0,0,1,0,1,0|2,0,0]=4 2633 B15R2.64 CC(Cc1ccccc1)N2CCSC2 269982a_100011215254_200011218536 [0,0,1,0,1,0|1,0,0]=3 2634 B15R2.64 CC(Cc1cccnc1)N2CCSC2 270004a_100011215254_100015187140 [0,0,1,0,1,0|2,0,0]=4 2635 B15R2.64 CC(Cc1ccncc1)N2CCSC2 270004a_100011215254_100000238508 [0,0,1,0,1,0|2,0,0]=4 2636 B15R2.64 CN(Cc1ccccc1)C2CCCC2 2230a_100000186898_100000179811 [0,0,1,0,1,0|2,0,0]=4 2637 B15R2.64 CN(Cc1ccccc1)C2CCCC2 2230a_100000207505_100015291786 [0,0,1,0,1,0|2,0,0]=4 2638 B15R2.64 CN(Cc1ccccc1)C2CCCC2 269982a_100000186898_100000179811 [0,0,1,0,1,0|2,0,0]=4 2639 B15R2.64 CN(Cc1ccccc1)C2CCCC2 269982a_100000207505_100000211182 [0,0,1,0,1,0|2,0,0]=4 2640 B15R2.64 CN(Cc1ccccc1)C2CCCC2 270004a_100000186898_100000210133 [0,0,1,0,1,0|2,0,0]=4 2641 B15R2.64 CN(Cc1ccccc1)C2CCCC2 270004a_100000207505_100015611070 [0,0,1,0,1,0|2,0,0]=4 2642 B15R2.64 CN(Cc1ccccc1)C2CCCC2 34a_100000207505_100015291786 [0,0,1,0,1,0|2,0,0]=4 2643 B15R2.64 CN(Cc1ccccc1)C2CCOC2 2230a_100000186898_100000731011 [0,0,1,0,1,0|1,1,0]=4 2644 B15R2.64 CN(Cc1ccccc1)C2CCOC2 2230a_100016988252_100015291786 [0,0,1,0,1,0|1,1,0]=4 2645 B15R2.64 CN(Cc1ccccc1)C2CCOC2 269982a_100000186898_100000731011 [0,0,1,0,1,0|1,1,0]=4 2646 B15R2.64 CN(Cc1ccccc1)C2CCOC2 269982a_100016988252_100000211182 [0,0,1,0,1,0|1,1,0]=4 2647 B15R2.64 CN(Cc1ccccc1)C2CCOC2 270004a_100000186898_100000752484 [0,0,1,0,1,0|1,1,0]=4 2648 B15R2.64 CN(Cc1ccccc1)C2CCOC2 270004a_100016988252_100015611070 [0,0,1,0,1,0|1,1,0]=4 2649 B15R2.64 CN(Cc1ccccc1)C2CCOC2 34a_100016988252_100015291786 [0,0,1,0,1,0|1,1,0]=4 2650 B15R2.64 CN(Cc1ccccc1)C2CCSC2 270004a_100000186898_100000212027 [0,0,1,0,1,0|1,0,0]=3 2651 B15R2.64 CN(Cc1ccccn1)C2CCSC2 270004a_100000207498_100000212027 [0,0,1,0,1,0|2,0,0]=4 2652 B15R2.64 CN(Cc1cccnc1)C2CCSC2 270004a_100000184577_100000212027 [0,0,1,0,1,0|2,0,0]=4 2653 B15R2.64 CN(Cc1ccncc1)C2CCSC2 270004a_100000187231_100000212027 [0,0,1,0,1,0|2,0,0]=4 2654 B15R2.1259 CC(CN1CCSC1)c2ccccc2 2230a_100011215254_100000756946 [0,0,1,0,1,0|2,0,0]=4 2655 B15R2.1259 CC(CN1CCSC1)c2ccccc2 269982a_100011215254_100000756946 [0,0,1,0,1,0|2,0,0]=4 2656 B15R2.1259 CC(CN1CCSC1)c2ccccc2 270004a_100011215254_100000212034 [0,0,1,0,1,0|2,0,0]=4 2657 B15R2.1259 CC(NC1CC=CC1)c2ccccc2 2230a_100015188752_100000230085 [0,0,1,0,1,0|1,0,1]=4 2658 B15R2.1259 CC(NC1CC=CC1)c2ccccc2 269862a_100015188752_100000185851 [0,0,1,0,1,0|1,0,1]=4 2659 B15R2.1259 CC(NC1CCCC1)c2ccccc2 2230a_100000211070_100000230085 [0,0,1,0,1,0|1,0,0]=3 2660 B15R2.1259 CC(NC1CCCC1)c2ccccc2 269862a_100000211070_100000185851 [0,0,1,0,1,0|1,0,0]=3 2661 B15R2.1259 CC(NC1CCCC1)c2ccccc2 34a_100000211070_100000211855 [0,0,1,0,1,0|1,0,0]=3 2662 B15R2.1259 CC(NC1CCCC1)c2ccccn2 2230a_100000181244_100000179811 [0,0,1,0,1,0|2,0,0]=4 2663 B15R2.1259 CC(NC1CCCC1)c2ccccn2 269862a_100000211070_100000210467 [0,0,1,0,1,0|2,0,0]=4 2664 B15R2.1259 CC(NC1CCCC1)c2ccccn2 270004a_100000181244_100000210133 [0,0,1,0,1,0|2,0,0]=4 2665 B15R2.1259 CC(NC1CCCC1)c2cccnc2 2230a_100000195435_100000179811 [0,0,1,0,1,0|2,0,0]=4 2666 B15R2.1259 CC(NC1CCCC1)c2cccnc2 269862a_100000211070_100000210468 [0,0,1,0,1,0|2,0,0]=4 2667 B15R2.1259 CC(NC1CCCC1)c2cccnc2 270004a_100000195435_100000210133 [0,0,1,0,1,0|2,0,0]=4 2668 B15R2.1259 CC(NC1CCCC1)c2ccncc2 2230a_100000181269_100000179811 [0,0,1,0,1,0|2,0,0]=4 2669 B15R2.1259 CC(NC1CCCC1)c2ccncc2 269862a_100000211070_100000185792 [0,0,1,0,1,0|2,0,0]=4 2670 B15R2.1259 CC(NC1CCCC1)c2ccncc2 270004a_100000181269_100000210133 [0,0,1,0,1,0|2,0,0]=4 2671 B15R2.1259 CC(NC1CCOC1)c2ccccn2 2230a_100000181244_100000731011 [0,0,1,0,1,0|1,1,0]=4 2672 B15R2.1259 CC(NC1CCOC1)c2ccccn2 270004a_100000181244_100000752484 [0,0,1,0,1,0|1,1,0]=4 2673 B15R2.1259 CC(NC1CCOC1)c2cccnc2 2230a_100000195435_100000731011 [0,0,1,0,1,0|1,1,0]=4 2674 B15R2.1259 CC(NC1CCOC1)c2cccnc2 270004a_100000195435_100000752484 [0,0,1,0,1,0|1,1,0]=4 2675 B15R2.1259 CC(NC1CCOC1)c2ccncc2 2230a_100000181269_100000731011 [0,0,1,0,1,0|1,1,0]=4 2676 B15R2.1259 CC(NC1CCOC1)c2ccncc2 270004a_100000181269_100000752484 [0,0,1,0,1,0|1,1,0]=4 2677 B15R2.1259 CC(NC1CCSC1)c2ccccn2 270004a_100000181244_100000212027 [0,0,1,0,1,0|1,0,0]=3 2678 B15R2.1259 CC(NC1CCSC1)c2cccnc2 270004a_100000195435_100000212027 [0,0,1,0,1,0|1,0,0]=3 2679 B15R2.1259 CC(NC1CCSC1)c2ccncc2 270004a_100000181269_100000212027 [0,0,1,0,1,0|1,0,0]=3 2680 B15R2.1259 CC(NC1CCSC1)c2ncccn2 270004a_100020641698_100000212027 [0,0,1,0,1,0|2,0,0]=4 2681 B15R2.1259 CC(N[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000230085 [0,0,1,0,1,0|0,1,0]=3 2682 B15R2.1259 CC(N[C@@H]1CCOC1)c2ccccc2 269862a_200015188469_100000185851 [0,0,1,0,1,0|0,1,0]=3 2683 B15R2.1259 CC(N[C@@H]1CCOC1)c2ccccn2 269862a_200015188469_100000210467 [0,0,1,0,1,0|1,1,0]=4 2684 B15R2.1259 CC(N[C@@H]1CCOC1)c2cccnc2 269862a_200015188469_100000210468 [0,0,1,0,1,0|1,1,0]=4 2685 B15R2.1259 CC(N[C@@H]1CCOC1)c2ccncc2 269862a_200015188469_100000185792 [0,0,1,0,1,0|1,1,0]=4 2686 B15R2.1259 CC(N[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000230085 [0,0,1,0,1,0|0,1,0]=3 2687 B15R2.1259 CC(N[C@H]1CCOC1)c2ccccc2 269862a_100015188467_100000185851 [0,0,1,0,1,0|0,1,0]=3 2688 B15R2.1259 CC(N[C@H]1CCOC1)c2ccccc2 34a_100015188467_100000211855 [0,0,1,0,1,0|0,1,0]=3 2689 B15R2.1259 CC(N[C@H]1CCOC1)c2ccccn2 269862a_100015188467_100000210467 [0,0,1,0,1,0|1,1,0]=4 2690 B15R2.1259 CC(N[C@H]1CCOC1)c2cccnc2 269862a_100015188467_100000210468 [0,0,1,0,1,0|1,1,0]=4 2691 B15R2.1259 CC(N[C@H]1CCOC1)c2ccncc2 269862a_100015188467_100000185792 [0,0,1,0,1,0|1,1,0]=4 2692 B15R2.1259 CC(OC1CCCC1)c2ccccc2 34a_100000210269_100000211855 [0,0,1,0,1,0|2,0,0]=4 2693 B15R2.1259 CC(OC1CCCC1)c2ccccc2 7a_100000210269_100000230085 [0,0,1,0,1,0|2,0,0]=4 2694 B15R2.1259 CC(OC1CCSC1)c2ccccc2 7a_100011232664_100000230085 [0,0,1,0,1,0|1,0,0]=3 2695 B15R2.1259 CC(O[C@H]1CCOC1)c2ccccc2 34a_100000717292_100000211855 [0,0,1,0,1,0|1,1,0]=4 2696 B15R2.1259 CC(SC1CCCC1)c2ccccc2 62a_100000230085_100000179811 [0,0,1,0,1,0|2,0,0]=4 2697 B15R2.1259 CC(SC1CCCC1)c2ccccc2 62a_100011217020_100000230085 [0,0,1,0,1,0|2,0,0]=4 2698 B15R2.1259 CC(SC1CCOC1)c2ccccc2 62a_100000230085_100000690089 [0,0,1,0,1,0|1,1,0]=4 2699 B15R2.1259 C[C@@H](NC1CCCC1)c2ccccc2 2230a_100000751104_100000179811 [0,0,1,0,1,0|1,0,0]=3 2700 B15R2.1259 C[C@@H](NC1CCCC1)c2ccccc2 270004a_100000751104_100000210133 [0,0,1,0,1,0|1,0,0]=3 2701 B15R2.1259 C[C@@H](NC1CCOC1)c2ccccc2 2230a_100000751104_100000731011 [0,0,1,0,1,0|0,1,0]=3 2702 B15R2.1259 C[C@@H](NC1CCOC1)c2ccccc2 270004a_100000751104_100000752484 [0,0,1,0,1,0|0,1,0]=3 2703 B15R2.1259 C[C@@H](NC1CCSC1)c2ccccc2 270004a_100000751104_100000212027 [0,0,1,0,1,0|0,0,0]=2 2704 B15R2.1259 C[C@@H](NC1CCSC1)c2cnccn2 270004a_100020589798_100000212027 [0,0,1,0,1,0|2,0,0]=4 2705 B15R2.1259 C[C@@H](OC1CCCC1)c2ccccc2 34a_100000761318_100000179811 [0,0,1,0,1,0|2,0,0]=4 2706 B15R2.1259 C[C@@H](OC1CCCC1)c2ccccc2 7a_100000761318_100000179811 [0,0,1,0,1,0|2,0,0]=4 2707 B15R2.1259 C[C@@H](OC1CCOC1)c2ccccc2 34a_100000761318_100000690089 [0,0,1,0,1,0|1,1,0]=4 2708 B15R2.1259 C[C@@H](OC1CCOC1)c2ccccc2 7a_100000761318_100000731011 [0,0,1,0,1,0|1,1,0]=4 2709 B15R2.1260 CC(Cc1ccco1)NC2CCCC2 270004a_100000211070_100011216958 [0,0,1,0,1,0|2,0,0]=4 2710 B15R2.1260 CC(Cc1ccco1)N[C@@H]2CCOC2 270004a_200015188469_100011216958 [0,0,1,0,1,0|1,1,0]=4 2711 B15R2.1260 CC(Cc1ccco1)N[C@H]2CCOC2 270004a_100015188467_100011216958 [0,0,1,0,1,0|1,1,0]=4 2712 B15R2.1260 CC(Cc1cccs1)NC2CCCC2 2230a_100000751415_100000179811 [0,0,1,0,1,0|2,0,0]=4 2713 B15R2.1260 CC(Cc1cccs1)NC2CCCC2 270004a_100000751415_100000210133 [0,0,1,0,1,0|2,0,0]=4 2714 B15R2.1260 CC(Cc1cccs1)NC2CCOC2 2230a_100000751415_100000731011 [0,0,1,0,1,0|1,1,0]=4 2715 B15R2.1260 CC(Cc1cccs1)NC2CCOC2 270004a_100000751415_100000752484 [0,0,1,0,1,0|1,1,0]=4 2716 B15R2.1260 CC(Cc1cccs1)NC2CCSC2 270004a_100000751415_100000212027 [0,0,1,0,1,0|1,0,0]=3 2717 B15R2.1260 CC(Cc1ccsc1)NC2CCCC2 2230a_100000743546_100000179811 [0,0,1,0,1,0|2,0,0]=4 2718 B15R2.1260 CC(Cc1ccsc1)NC2CCCC2 270004a_100000743546_100000210133 [0,0,1,0,1,0|2,0,0]=4 2719 B15R2.1260 CC(Cc1ccsc1)NC2CCCC2 34a_100000743546_100000179811 [0,0,1,0,1,0|2,0,0]=4 2720 B15R2.1260 CC(Cc1ccsc1)NC2CCOC2 2230a_100000743546_100000731011 [0,0,1,0,1,0|1,1,0]=4 2721 B15R2.1260 CC(Cc1ccsc1)NC2CCOC2 270004a_100000743546_100000752484 [0,0,1,0,1,0|1,1,0]=4 2722 B15R2.1260 CC(Cc1ccsc1)NC2CCOC2 34a_100000743546_100000690089 [0,0,1,0,1,0|1,1,0]=4 2723 B15R2.1260 CC(Cc1ccsc1)NC2CCSC2 270004a_100000743546_100000212027 [0,0,1,0,1,0|1,0,0]=3 2724 B15R2.1260 CC(Cn1cccn1)NC2CCSC2 270004a_100000738251_100000212027 [0,0,1,0,1,0|2,0,0]=4 2725 B15R2.16446 CC(C[n+]1ccccc1)NC2COC2 270004a_100016991112_100000034229 [0,0,1,0,1,0|1,1,0]=4 2726 B15R2.16446 CC(C[n+]1ccccc1)NC2CSC2 270004a_100016994217_100000034229 [0,0,1,0,1,0|1,0,0]=3 2727 B15R2.16446 CC(Cc1ccccc1)NC2CCC2 34a_100000749019_200011218536 [0,0,1,0,1,0|0,0,0]=2 2728 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748187_200011218536 [0,0,1,0,1,0|1,0,0]=3 2729 B15R2.16446 CC(Cc1ccccc1)OC2CCC2 34a_100000748627_100000749161 [0,0,1,0,1,0|1,0,0]=3 2730 B15R2.16446 CC(Cc1ccccc1)OC2COC2 34a_100000748627_100009818527 [0,0,1,0,1,0|1,1,0]=4 2731 B15R2.16446 CC(Cc1ccccc1)OC2COC2 7a_100000748627_100009818527 [0,0,1,0,1,0|1,1,0]=4 2732 B15R2.16446 CC(Cc1ccccc1)OC2CSC2 7a_100000072292_200011218536 [0,0,1,0,1,0|1,0,0]=3 2733 B15R2.16446 CC(Cc1ccccc1)SC2CCC2 62a_200011218536_100000749161 [0,0,1,0,1,0|1,0,0]=3 2734 B15R2.16446 CC(Cc1ccccc1)SC2COC2 62a_200011218536_100009818527 [0,0,1,0,1,0|1,1,0]=4 2735 B15R2.16446 CC(Cc1ccccn1)NC2CCC2 270004a_100000238496_100000241760 [0,0,1,0,1,0|1,0,0]=3 2736 B15R2.16446 CC(Cc1cccnc1)NC2CCC2 270004a_100011207255_100000241760 [0,0,1,0,1,0|1,0,0]=3 2737 B15R2.16446 CC(Cc1cccnc1)NC2COC2 270004a_100016991112_100015187140 [0,0,1,0,1,0|1,1,0]=4 2738 B15R2.16446 CC(Cc1cccnc1)NC2CSC2 270004a_100016994217_100015187140 [0,0,1,0,1,0|1,0,0]=3 2739 B15R2.16446 CC(Cc1ccncc1)NC2COC2 270004a_100016991112_100000238508 [0,0,1,0,1,0|1,1,0]=4 2740 B15R2.16446 CC(Cc1ccncc1)NC2CSC2 270004a_100016994217_100000238508 [0,0,1,0,1,0|1,0,0]=3 2741 B15R2.16446 CC(Cc1cnccn1)NC2CCC2 270004a_100011277835_100000241760 [0,0,1,0,1,0|2,0,0]=4 2742 B15R2.16446 CC(Cc1cnccn1)NC2CSC2 270004a_100016994217_100015184882 [0,0,1,0,1,0|2,0,0]=4 2743 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_100000186898_100000763275 [0,0,1,0,1,0|2,0,0]=4 2744 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_106354213860_200000210301 [0,0,1,0,1,0|2,0,0]=4 2745 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 2230a_200000750244_100015291786 [0,0,1,0,1,0|2,0,0]=4 2746 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_100000186898_100000763275 [0,0,1,0,1,0|2,0,0]=4 2747 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_106354213860_200000210301 [0,0,1,0,1,0|2,0,0]=4 2748 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 269982a_200000750244_100000211182 [0,0,1,0,1,0|2,0,0]=4 2749 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 270004a_200000750244_100015611070 [0,0,1,0,1,0|2,0,0]=4 2750 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 34a_106354213860_200000210301 [0,0,1,0,1,0|2,0,0]=4 2751 B15R2.16446 CN(Cc1ccccc1)CC2CCC2 34a_200000750244_100015291786 [0,0,1,0,1,0|2,0,0]=4 2752 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 2230a_106354213860_200025704644 [0,0,1,0,1,0|2,0,0]=4 2753 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 269982a_106354213860_200025704644 [0,0,1,0,1,0|2,0,0]=4 2754 B15R2.16446 [13CH3]N(Cc1ccccc1)CC2CCC2 34a_106354213860_200025704644 [0,0,1,0,1,0|2,0,0]=4 2755 B15R2.2194 c1ccn(c1)CCCNC2CCCC2 2230a_100000211070_200009814367 [0,0,1,0,1,0|2,0,0]=4 2756 B15R2.2194 c1ccn(c1)CCCNC2CCCC2 34a_100000211070_200009814367 [0,0,1,0,1,0|2,0,0]=4 2757 B15R2.2194 c1ccn(c1)CCCN[C@@H]2CCOC2 2230a_200015188469_200009814367 [0,0,1,0,1,0|1,1,0]=4 2758 B15R2.2194 c1ccn(c1)CCCN[C@H]2CCOC2 2230a_100015188467_200009814367 [0,0,1,0,1,0|1,1,0]=4 2759 B15R2.2194 c1ccn(c1)CCCN[C@H]2CCOC2 34a_100015188467_200009814367 [0,0,1,0,1,0|1,1,0]=4 2760 B15R2.2194 c1ccn(c1)CCCOC2CCSC2 7a_100011232664_200009814367 [0,0,1,0,1,0|2,0,0]=4 2761 B15R2.2194 c1cn(cn1)CCCNC2CCSC2 270004a_100000210438_100000212027 [0,0,1,0,1,0|2,0,0]=4 2762 B15R2.2194 c1cnn(c1)CCCNC2CCSC2 270004a_100000737576_100000212027 [0,0,1,0,1,0|2,0,0]=4 2763 B15R2.2194 c1csc(c1)CCCNC2CCCC2 2230a_100000211070_100010992444 [0,0,1,0,1,0|2,0,0]=4 2764 B15R2.2194 c1csc(c1)CCCNC2CCCC2 34a_100000211070_100010992444 [0,0,1,0,1,0|2,0,0]=4 2765 B15R2.2194 c1csc(c1)CCCN[C@@H]2CCOC2 2230a_200015188469_100010992444 [0,0,1,0,1,0|1,1,0]=4 2766 B15R2.2194 c1csc(c1)CCCN[C@H]2CCOC2 2230a_100015188467_100010992444 [0,0,1,0,1,0|1,1,0]=4 2767 B15R2.2194 c1csc(c1)CCCN[C@H]2CCOC2 34a_100015188467_100010992444 [0,0,1,0,1,0|1,1,0]=4 2768 B15R2.2194 c1csc(c1)CCCOC2CCSC2 7a_100011232664_100010992444 [0,0,1,0,1,0|2,0,0]=4 2769 B15R2.27836 C(#Cc1ccccc1)CNC2CCC2 2230a_100000749019_100011352542 [0,0,1,0,1,0|0,0,2]=4 2770 B15R2.27836 C(#Cc1ccccc1)CNC2CCC2 34a_100000735379_100000749161 [0,0,1,0,1,0|0,0,2]=4 2771 B15R2.27836 C(#Cc1ccccc1)CNC2CCC2 34a_100000749019_100011352542 [0,0,1,0,1,0|0,0,2]=4 2772 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 2230a_100000749019_100016265936 [0,0,1,0,1,0|0,0,2]=4 2773 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 270004a_100020603302_100000241760 [0,0,1,0,1,0|0,0,2]=4 2774 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100000749019_100016265936 [0,0,1,0,1,0|0,0,2]=4 2775 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100020603302_100000749161 [0,0,1,0,1,0|0,0,2]=4 2776 B15R2.27836 C(=Cc1ccccc1)CNC2CSC2 270004a_100016994217_100000210105 [0,0,1,0,1,0|0,0,2]=4 2777 B15R2.27836 C(=NNC1CCC1)Cc2ccccc2 4a_100000736358_100000209964 [0,0,1,0,1,0|1,0,1]=4 2778 B15R2.27836 c1cc(ccn1)CCCNC2CCC2 270004a_100011275580_100000241760 [0,0,1,0,1,0|1,0,0]=3 2779 B15R2.27836 c1cc(ccn1)CCCOC2CCC2 34a_100000210659_100000749161 [0,0,1,0,1,0|2,0,0]=4 2780 B15R2.27836 c1cc(ccn1)OCCNC2CCC2 270004a_100025717301_100000241760 [0,0,1,0,1,0|2,0,0]=4 2781 B15R2.27836 c1ccc(cc1)CCCCN2CCC2 269982a_100000754969_100000701786 [0,0,1,0,1,0|2,0,0]=4 2782 B15R2.27836 c1ccc(cc1)CCCNC2CCC2 2230a_100000749019_100000211621 [0,0,1,0,1,0|0,0,0]=2 2783 B15R2.27836 c1ccc(cc1)CCCNC2CCC2 270004a_100000211184_100000241760 [0,0,1,0,1,0|0,0,0]=2 2784 B15R2.27836 c1ccc(cc1)CCCNC2CCC2 34a_100000211184_100000749161 [0,0,1,0,1,0|0,0,0]=2 2785 B15R2.27836 c1ccc(cc1)CCCNC2CCC2 34a_100000749019_100000211621 [0,0,1,0,1,0|0,0,0]=2 2786 B15R2.27836 c1ccc(cc1)CCCNC2COC2 2230a_100016991112_100000211621 [0,0,1,0,1,0|0,1,0]=3 2787 B15R2.27836 c1ccc(cc1)CCCNC2COC2 34a_100000211184_100009818527 [0,0,1,0,1,0|0,1,0]=3 2788 B15R2.27836 c1ccc(cc1)CCCOC2CCC2 34a_100000210828_100000749161 [0,0,1,0,1,0|1,0,0]=3 2789 B15R2.27836 c1ccc(cc1)CCCOC2CCC2 34a_100000748187_100000211621 [0,0,1,0,1,0|1,0,0]=3 2790 B15R2.27836 c1ccc(cc1)CCCOC2COC2 34a_100000210828_100009818527 [0,0,1,0,1,0|1,1,0]=4 2791 B15R2.27836 c1ccc(cc1)CCCOC2COC2 7a_100000210828_100009818527 [0,0,1,0,1,0|1,1,0]=4 2792 B15R2.27836 c1ccc(cc1)CCCOC2CSC2 7a_100000072292_100000211621 [0,0,1,0,1,0|1,0,0]=3 2793 B15R2.27836 c1ccc(cc1)CCCSC2CCC2 62a_100000211621_100000749161 [0,0,1,0,1,0|1,0,0]=3 2794 B15R2.27836 c1ccc(cc1)CCCSC2COC2 62a_100000211621_100009818527 [0,0,1,0,1,0|1,1,0]=4 2795 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 2230a_100000106460_100000763275 [0,0,1,0,1,0|2,0,0]=4 2796 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 2230a_100000738700_100000765856 [0,0,1,0,1,0|2,0,0]=4 2797 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 269862a_100000106460_100000753134 [0,0,1,0,1,0|2,0,0]=4 2798 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 34a_100000106460_100000763275 [0,0,1,0,1,0|2,0,0]=4 2799 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 34a_100000738700_100000765856 [0,0,1,0,1,0|2,0,0]=4 2800 B15R2.27836 c1ccc(cc1)CCOCC2CCC2 34a_100000210268_100000763275 [0,0,1,0,1,0|2,0,0]=4 2801 B15R2.27836 c1ccc(cc1)CCOCC2CCC2 34a_100000760304_100000765856 [0,0,1,0,1,0|2,0,0]=4 2802 B15R2.27836 c1ccc(cc1)CCOCC2CCC2 7a_100000210268_100000763275 [0,0,1,0,1,0|2,0,0]=4 2803 B15R2.27836 c1ccc(cc1)CCSCC2CCC2 62a_100000763275_100011218657 [0,0,1,0,1,0|2,0,0]=4 2804 B15R2.27836 c1ccc(cc1)CCSCC2CCC2 62a_100000765856_100000763275 [0,0,1,0,1,0|2,0,0]=4 2805 B15R2.27836 c1ccc(cc1)COCNC2CCC2 2230a_100000749019_100000763385 [0,0,1,0,1,0|1,0,0]=3 2806 B15R2.27836 c1ccc(cc1)COCNC2CCC2 34a_100000749019_100000763385 [0,0,1,0,1,0|1,0,0]=3 2807 B15R2.27836 c1ccc(cc1)COCNC2COC2 2230a_100016991112_100000763385 [0,0,1,0,1,0|1,1,0]=4 2808 B15R2.27836 c1ccc(cc1)COCOC2CCC2 34a_100000748187_100000763385 [0,0,1,0,1,0|2,0,0]=4 2809 B15R2.27836 c1ccc(cc1)COCSC2CCC2 62a_100000763385_100000749161 [0,0,1,0,1,0|2,0,0]=4 2810 B15R2.27836 c1ccc(cc1)CSCNC2CCC2 2230a_100000749019_200011217039 [0,0,1,0,1,0|1,0,0]=3 2811 B15R2.27836 c1ccc(cc1)CSCNC2CCC2 34a_100000749019_200011217039 [0,0,1,0,1,0|1,0,0]=3 2812 B15R2.27836 c1ccc(cc1)CSCNC2COC2 2230a_100016991112_200011217039 [0,0,1,0,1,0|1,1,0]=4 2813 B15R2.27836 c1ccc(cc1)CSCOC2CCC2 34a_100000748187_200011217039 [0,0,1,0,1,0|2,0,0]=4 2814 B15R2.27836 c1ccc(cc1)CSCSC2CCC2 62a_200011217039_100000749161 [0,0,1,0,1,0|2,0,0]=4 2815 B15R2.27836 c1ccc(cc1)NCCOC2CCC2 34a_100000211345_100000749161 [0,0,1,0,1,0|2,0,0]=4 2816 B15R2.27836 c1ccc(cc1)OCCNC2CCC2 2230a_100000749019_100000184471 [0,0,1,0,1,0|1,0,0]=3 2817 B15R2.27836 c1ccc(cc1)OCCNC2CCC2 270004a_100000174943_100000241760 [0,0,1,0,1,0|1,0,0]=3 2818 B15R2.27836 c1ccc(cc1)OCCNC2CCC2 34a_100000174943_100000749161 [0,0,1,0,1,0|1,0,0]=3 2819 B15R2.27836 c1ccc(cc1)OCCNC2CCC2 34a_100000749019_100000184471 [0,0,1,0,1,0|1,0,0]=3 2820 B15R2.27836 c1ccc(cc1)OCCNC2COC2 2230a_100016991112_100000184471 [0,0,1,0,1,0|1,1,0]=4 2821 B15R2.27836 c1ccc(cc1)OCCNC2COC2 270004a_100016991112_100000758736 [0,0,1,0,1,0|1,1,0]=4 2822 B15R2.27836 c1ccc(cc1)OCCNC2COC2 34a_100000174943_100009818527 [0,0,1,0,1,0|1,1,0]=4 2823 B15R2.27836 c1ccc(cc1)OCCNC2CSC2 270004a_100016994217_100000758736 [0,0,1,0,1,0|1,0,0]=3 2824 B15R2.27836 c1ccc(cc1)OCCOC2CCC2 34a_100000210260_100000749161 [0,0,1,0,1,0|2,0,0]=4 2825 B15R2.27836 c1ccc(cc1)OCCOC2CCC2 34a_100000748187_100000184471 [0,0,1,0,1,0|2,0,0]=4 2826 B15R2.27836 c1ccc(cc1)OCCOC2CSC2 7a_100000072292_100000184471 [0,0,1,0,1,0|2,0,0]=4 2827 B15R2.27836 c1ccc(cc1)OCCSC2CCC2 62a_100000184471_100000749161 [0,0,1,0,1,0|2,0,0]=4 2828 B15R2.27836 c1ccc(cc1)SCCNC2CCC2 2230a_100000749019_100000246102 [0,0,1,0,1,0|1,0,0]=3 2829 B15R2.27836 c1ccc(cc1)SCCNC2CCC2 270004a_100000189519_100000241760 [0,0,1,0,1,0|1,0,0]=3 2830 B15R2.27836 c1ccc(cc1)SCCNC2CCC2 34a_100000749019_100000246102 [0,0,1,0,1,0|1,0,0]=3 2831 B15R2.27836 c1ccc(cc1)SCCNC2COC2 2230a_100016991112_100000246102 [0,0,1,0,1,0|1,1,0]=4 2832 B15R2.27836 c1ccc(cc1)SCCOC2CCC2 34a_100000748187_100000246102 [0,0,1,0,1,0|2,0,0]=4 2833 B15R2.27836 c1ccc(cc1)SCCOC2CSC2 7a_100000072292_100000246102 [0,0,1,0,1,0|2,0,0]=4 2834 B15R2.27836 c1ccc(cc1)SCCSC2CCC2 62a_100000246102_100000749161 [0,0,1,0,1,0|2,0,0]=4 2835 B15R2.27836 c1ccc(nc1)CCCNC2CCC2 270004a_100000689020_100000241760 [0,0,1,0,1,0|1,0,0]=3 2836 B15R2.27836 c1ccc(nc1)CCCOC2CCC2 34a_100011215068_100000749161 [0,0,1,0,1,0|2,0,0]=4 2837 B15R2.27836 c1ccc(nc1)OCCNC2CCC2 270004a_106741647558_100000241760 [0,0,1,0,1,0|2,0,0]=4 2838 B15R2.27836 c1cncc(c1)CCCNC2CCC2 270004a_100011532358_100000241760 [0,0,1,0,1,0|1,0,0]=3 2839 B15R2.27836 c1cncc(c1)CCCNC2CCC2 34a_100011532358_100000749161 [0,0,1,0,1,0|1,0,0]=3 2840 B15R2.27836 c1cncc(c1)CCCNC2COC2 34a_100011532358_100009818527 [0,0,1,0,1,0|1,1,0]=4 2841 B15R2.27836 c1cncc(c1)CCCOC2CCC2 34a_100000211284_100000749161 [0,0,1,0,1,0|2,0,0]=4 2842 B15R2.27836 c1cncc(c1)OCCNC2CCC2 270004a_100000754688_100000241760 [0,0,1,0,1,0|2,0,0]=4 2843 B15R2.3989 OC(CNC1CCSC1)c2ccco2 270004a_100000738650_100000212027 [0,0,1,0,1,0|2,0,0]=4 2844 B15R2.3989 OC(CNC1CCSC1)c2ccsc2 270004a_100000758718_100000212027 [0,0,1,0,1,0|2,0,0]=4 2845 B15R2.16439 CC(=NNC1CCC1)c2ccccc2 4a_100000736358_100000185851 [0,0,1,0,1,0|1,0,1]=4 2846 B15R2.16439 CC(CNC1CCC1)c2ccccc2 2230a_100000749019_100000756946 [0,0,1,0,1,0|0,0,0]=2 2847 B15R2.16439 CC(CNC1CCC1)c2ccccc2 270004a_100000701038_100000241760 [0,0,1,0,1,0|0,0,0]=2 2848 B15R2.16439 CC(CNC1CCC1)c2ccccc2 34a_100000701038_100000749161 [0,0,1,0,1,0|0,0,0]=2 2849 B15R2.16439 CC(CNC1CCC1)c2ccccc2 34a_100000749019_100000756946 [0,0,1,0,1,0|0,0,0]=2 2850 B15R2.16439 CC(CNC1COC1)c2ccccc2 2230a_100016991112_100000756946 [0,0,1,0,1,0|0,1,0]=3 2851 B15R2.16439 CC(CNC1COC1)c2ccccc2 270004a_100016991112_100000212034 [0,0,1,0,1,0|0,1,0]=3 2852 B15R2.16439 CC(CNC1COC1)c2ccccc2 34a_100000701038_100009818527 [0,0,1,0,1,0|0,1,0]=3 2853 B15R2.16439 CC(CNC1CSC1)c2ccccc2 270004a_100016994217_100000212034 [0,0,1,0,1,0|0,0,0]=2 2854 B15R2.16439 CC(COC1CCC1)c2ccccc2 34a_100000748187_100000756946 [0,0,1,0,1,0|1,0,0]=3 2855 B15R2.16439 CC(COC1CCC1)c2ccccc2 34a_100011215166_100000749161 [0,0,1,0,1,0|1,0,0]=3 2856 B15R2.16439 CC(COC1COC1)c2ccccc2 34a_100011215166_100009818527 [0,0,1,0,1,0|1,1,0]=4 2857 B15R2.16439 CC(COC1COC1)c2ccccc2 7a_100011215166_100009818527 [0,0,1,0,1,0|1,1,0]=4 2858 B15R2.16439 CC(COC1CSC1)c2ccccc2 7a_100000072292_100000756946 [0,0,1,0,1,0|1,0,0]=3 2859 B15R2.16439 CC(CSC1CCC1)c2ccccc2 62a_100000756946_100000749161 [0,0,1,0,1,0|1,0,0]=3 2860 B15R2.16439 CC(CSC1COC1)c2ccccc2 62a_100000756946_100009818527 [0,0,1,0,1,0|1,1,0]=4 2861 B15R2.16439 CC(NCC1CCC1)c2ccccc2 2230a_100000738700_100000230085 [0,0,1,0,1,0|2,0,0]=4 2862 B15R2.16439 CC(NCC1CCC1)c2ccccc2 269862a_100000738700_100000185851 [0,0,1,0,1,0|2,0,0]=4 2863 B15R2.16439 CC(NCC1CCC1)c2ccccc2 34a_100000738700_100000211855 [0,0,1,0,1,0|2,0,0]=4 2864 B15R2.16439 CC(OCC1CCC1)c2ccccc2 34a_100000760304_100000211855 [0,0,1,0,1,0|2,0,0]=4 2865 B15R2.16439 CC(SCC1CCC1)c2ccccc2 62a_100000230085_100000763275 [0,0,1,0,1,0|2,0,0]=4 2866 B15R2.16439 CC(SCC1CCC1)c2ccccc2 62a_100000763275_100000230085 [0,0,1,0,1,0|2,0,0]=4 2867 B15R2.16439 C[C@@H](NCC1CCC1)c2ccccc2 2230a_100000751104_100000763275 [0,0,1,0,1,0|2,0,0]=4 2868 B15R2.16439 C[C@@H](NCC1CCC1)c2ccccc2 269862a_100000751104_100000753134 [0,0,1,0,1,0|2,0,0]=4 2869 B15R2.16439 C[C@@H](OCC1CCC1)c2ccccc2 34a_100000761318_100000763275 [0,0,1,0,1,0|2,0,0]=4 2870 B15R2.16439 C[C@@H](OCC1CCC1)c2ccccc2 7a_100000761318_100000763275 [0,0,1,0,1,0|2,0,0]=4 2871 B15R2.16439 N[C@H](COC1CCC1)c2ccccc2 34a_100000751927_100000749161 [0,0,1,0,1,0|2,0,0]=4 2872 B15R2.16439 OC(CNC1CCC1)c2ccccc2 2230a_100000749019_100000185958 [0,0,1,0,1,0|1,0,0]=3 2873 B15R2.16439 OC(CNC1CCC1)c2ccccc2 270004a_100000210709_100000241760 [0,0,1,0,1,0|1,0,0]=3 2874 B15R2.16439 OC(CNC1CCC1)c2ccccc2 34a_100000749019_100000185958 [0,0,1,0,1,0|1,0,0]=3 2875 B15R2.16439 OC(CNC1CCC1)c2ccccn2 270004a_100000691469_100000241760 [0,0,1,0,1,0|2,0,0]=4 2876 B15R2.16439 OC(CNC1CCC1)c2cccnc2 270004a_100020605170_100000241760 [0,0,1,0,1,0|2,0,0]=4 2877 B15R2.16439 OC(CNC1COC1)c2ccccc2 2230a_100016991112_100000185958 [0,0,1,0,1,0|1,1,0]=4 2878 B15R2.16439 OC(COC1CCC1)c2ccccc2 34a_100000748187_100000185958 [0,0,1,0,1,0|2,0,0]=4 2879 B15R2.16439 OC(COC1CSC1)c2ccccc2 7a_100000072292_100000185958 [0,0,1,0,1,0|2,0,0]=4 2880 B15R2.16439 OC(CSC1CCC1)c2ccccc2 62a_100000185958_100000749161 [0,0,1,0,1,0|2,0,0]=4 2881 B15R2.16439 O[C@H](CNC1CCC1)c2ccccc2 2230a_100000749019_100011933945 [0,0,1,0,1,0|1,0,0]=3 2882 B15R2.16439 O[C@H](CNC1CCC1)c2ccccc2 34a_100000749019_100011933945 [0,0,1,0,1,0|1,0,0]=3 2883 B15R2.16439 O[C@H](CNC1COC1)c2ccccc2 2230a_100016991112_100011933945 [0,0,1,0,1,0|1,1,0]=4 2884 B15R2.16439 O[C@H](COC1CCC1)c2ccccc2 34a_100000748187_100011933945 [0,0,1,0,1,0|2,0,0]=4 2885 B15R2.16439 O[C@H](COC1CSC1)c2ccccc2 7a_100000072292_100011933945 [0,0,1,0,1,0|2,0,0]=4 2886 B15R2.16439 O[C@H](CSC1CCC1)c2ccccc2 62a_100011933945_100000749161 [0,0,1,0,1,0|2,0,0]=4 2887 B15R3.4208 c1ccc(cc1)[C@H]2C[C@@H]2NC3CC3 34a_100020588832_100000211595 [0,0,0,0,2,0|0,0,0]=2 2888 B17R2.5518 CCC(CC)NC1CC(C1)c2ccccc2 270004a_100000199018_100000741317 [0,0,1,0,0,1|1,0,0]=3 2889 B17R2.5518 CCC(CC)N[C@H]1C[C@H](C1)c2ccccc2 270004a_102125402554_100000210860 [0,0,1,0,0,1|1,0,0]=3 2890 B17R2.5518 CC[C@@H](CO)NC1CC(C1)c2ccccc2 270004a_100000709445_100000741317 [0,0,1,0,0,1|0,1,0]=3 2891 B17R2.5523 CCC(CC)CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215472 [0,0,1,0,0,1|1,0,0]=3 2892 B17R2.5523 CCC(CC)CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011215472 [0,0,1,0,0,1|1,0,0]=3 2893 B17R2.5523 CCC(CC)OCC1CC1c2ccccc2 7a_100011997005_100000210505 [0,0,1,0,0,1|2,0,0]=4 2894 B17R2.143 CC(C[n+]1ccccc1)NC2CCCCC2 270004a_100000182618_100000034229 [0,0,1,0,0,1|2,0,0]=4 2895 B17R2.143 CC(C[n+]1ccccc1)NC2CCCOC2 270004a_100000719290_100000034229 [0,0,1,0,0,1|1,1,0]=4 2896 B17R2.143 CC(C[n+]1ccccc1)NC2CCOCC2 270004a_100000741149_100000034229 [0,0,1,0,0,1|1,1,0]=4 2897 B17R2.143 CC(C[n+]1ccccc1)NC2CCSCC2 270004a_100000748639_100000034229 [0,0,1,0,0,1|1,0,0]=3 2898 B17R2.143 CC(Cc1ccccc1)NC2CCCCC2 34a_100000182618_200011218536 [0,0,1,0,0,1|1,0,0]=3 2899 B17R2.143 CC(Cc1ccccc1)NC2CCCOC2 34a_100000719290_200011218536 [0,0,1,0,0,1|0,1,0]=3 2900 B17R2.143 CC(Cc1ccccc1)NC2CCOCC2 34a_100000741149_200011218536 [0,0,1,0,0,1|0,1,0]=3 2901 B17R2.143 CC(Cc1ccccc1)NC2CCSCC2 34a_100000748639_200011218536 [0,0,1,0,0,1|0,0,0]=2 2902 B17R2.143 CC(Cc1ccccc1)OC2CC=CCC2 34a_100000073881_200011218536 [0,0,1,0,0,1|2,0,0]=4 2903 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000210231_200011218536 [0,0,1,0,0,1|2,0,0]=4 2904 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000748627_100000210327 [0,0,1,0,0,1|2,0,0]=4 2905 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000210231_200011218536 [0,0,1,0,0,1|2,0,0]=4 2906 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000748627_100000210327 [0,0,1,0,0,1|2,0,0]=4 2907 B17R2.143 CC(Cc1ccccc1)OC2CCCCO2 34a_100000033831_200011218536 [0,0,1,0,0,1|2,0,0]=4 2908 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 34a_100000748627_100000693364 [0,0,1,0,0,1|1,1,0]=4 2909 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 34a_100000754041_200011218536 [0,0,1,0,0,1|1,1,0]=4 2910 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 7a_100000748627_100000693364 [0,0,1,0,0,1|1,1,0]=4 2911 B17R2.143 CC(Cc1ccccc1)OC2CCCSC2 7a_100015962668_200011218536 [0,0,1,0,0,1|1,0,0]=3 2912 B17R2.143 CC(Cc1ccccc1)OC2CCOCC2 34a_100000744328_200011218536 [0,0,1,0,0,1|1,1,0]=4 2913 B17R2.143 CC(Cc1ccccc1)OC2CCOCC2 7a_100000748627_100000686592 [0,0,1,0,0,1|1,1,0]=4 2914 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 34a_100000731022_200011218536 [0,0,1,0,0,1|1,0,0]=3 2915 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 34a_100000748627_100000069128 [0,0,1,0,0,1|1,0,0]=3 2916 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 7a_100000731022_200011218536 [0,0,1,0,0,1|1,0,0]=3 2917 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 7a_100000748627_100011500858 [0,0,1,0,0,1|1,0,0]=3 2918 B17R2.143 CC(Cc1ccccc1)SC2CCCCC2 62a_100000210327_200011218536 [0,0,1,0,0,1|2,0,0]=4 2919 B17R2.143 CC(Cc1ccccc1)SC2CCCCC2 62a_200011218536_100000210327 [0,0,1,0,0,1|2,0,0]=4 2920 B17R2.143 CC(Cc1ccccc1)SC2CCCOC2 62a_200011218536_100000693364 [0,0,1,0,0,1|1,1,0]=4 2921 B17R2.143 CC(Cc1ccccc1)SC2CCOCC2 62a_200011218536_100011324220 [0,0,1,0,0,1|1,1,0]=4 2922 B17R2.143 CC(Cc1ccccc1)SC2CCSCC2 62a_200011218536_100000069128 [0,0,1,0,0,1|1,0,0]=3 2923 B17R2.143 CC(Cc1ccccn1)NC2CCCCC2 270004a_100000238496_100000210434 [0,0,1,0,0,1|2,0,0]=4 2924 B17R2.143 CC(Cc1ccccn1)NC2CCCOC2 270004a_100000238496_100000753404 [0,0,1,0,0,1|1,1,0]=4 2925 B17R2.143 CC(Cc1ccccn1)NC2CCCSC2 270004a_100000238496_100000057913 [0,0,1,0,0,1|1,0,0]=3 2926 B17R2.143 CC(Cc1ccccn1)NC2CCNCC2 270004a_100000238496_100015192401 [0,0,1,0,0,1|2,0,0]=4 2927 B17R2.143 CC(Cc1ccccn1)NC2CCOCC2 270004a_100000238496_100011217826 [0,0,1,0,0,1|1,1,0]=4 2928 B17R2.143 CC(Cc1ccccn1)NC2CCSCC2 270004a_100000238496_100000203788 [0,0,1,0,0,1|1,0,0]=3 2929 B17R2.143 CC(Cc1cccnc1)NC2CCCCC2 270004a_100000182618_100015187140 [0,0,1,0,0,1|2,0,0]=4 2930 B17R2.143 CC(Cc1cccnc1)NC2CCCCC2 270004a_100011207255_100000210434 [0,0,1,0,0,1|2,0,0]=4 2931 B17R2.143 CC(Cc1cccnc1)NC2CCCOC2 270004a_100000719290_100015187140 [0,0,1,0,0,1|1,1,0]=4 2932 B17R2.143 CC(Cc1cccnc1)NC2CCCOC2 270004a_100011207255_100000753404 [0,0,1,0,0,1|1,1,0]=4 2933 B17R2.143 CC(Cc1cccnc1)NC2CCCSC2 270004a_100011207255_100000057913 [0,0,1,0,0,1|1,0,0]=3 2934 B17R2.143 CC(Cc1cccnc1)NC2CCNCC2 270004a_100011207255_100015192401 [0,0,1,0,0,1|2,0,0]=4 2935 B17R2.143 CC(Cc1cccnc1)NC2CCOCC2 270004a_100000741149_100015187140 [0,0,1,0,0,1|1,1,0]=4 2936 B17R2.143 CC(Cc1cccnc1)NC2CCOCC2 270004a_100011207255_100011217826 [0,0,1,0,0,1|1,1,0]=4 2937 B17R2.143 CC(Cc1cccnc1)NC2CCSCC2 270004a_100000748639_100015187140 [0,0,1,0,0,1|1,0,0]=3 2938 B17R2.143 CC(Cc1cccnc1)NC2CCSCC2 270004a_100011207255_100000203788 [0,0,1,0,0,1|1,0,0]=3 2939 B17R2.143 CC(Cc1ccncc1)NC2CCCCC2 270004a_100000182618_100000238508 [0,0,1,0,0,1|2,0,0]=4 2940 B17R2.143 CC(Cc1ccncc1)NC2CCCOC2 270004a_100000719290_100000238508 [0,0,1,0,0,1|1,1,0]=4 2941 B17R2.143 CC(Cc1ccncc1)NC2CCOCC2 270004a_100000741149_100000238508 [0,0,1,0,0,1|1,1,0]=4 2942 B17R2.143 CC(Cc1ccncc1)NC2CCSCC2 270004a_100000748639_100000238508 [0,0,1,0,0,1|1,0,0]=3 2943 B17R2.143 CC(Cc1cnccn1)NC2CCCSC2 270004a_100011277835_100000057913 [0,0,1,0,0,1|2,0,0]=4 2944 B17R2.143 CC(Cc1cnccn1)NC2CCSCC2 270004a_100000748639_100015184882 [0,0,1,0,0,1|2,0,0]=4 2945 B17R2.143 CC(Cc1cnccn1)NC2CCSCC2 270004a_100011277835_100000203788 [0,0,1,0,0,1|2,0,0]=4 2946 B17R2.143 CN(Cc1ccccc1)CC2CCSCC2 2230a_100011935259_100015291786 [0,0,1,0,0,1|2,0,0]=4 2947 B17R2.143 CN(Cc1ccccc1)CC2CCSCC2 269982a_100011935259_100000211182 [0,0,1,0,0,1|2,0,0]=4 2948 B17R2.143 CN(Cc1ccccc1)CC2CCSCC2 270004a_100000186898_100000067145 [0,0,1,0,0,1|2,0,0]=4 2949 B17R2.143 CN(Cc1ccccc1)CC2CCSCC2 270004a_100011935259_100015611070 [0,0,1,0,0,1|2,0,0]=4 2950 B17R2.143 CN(Cc1ccccc1)CC2CCSCC2 34a_100011935259_100015291786 [0,0,1,0,0,1|2,0,0]=4 2951 B17R2.6158 CC(CC#N)N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100009813641 [0,0,1,0,0,1|1,0,1]=4 2952 B17R2.6158 CC(CCO)N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100009893172 [0,0,1,0,0,1|0,1,0]=3 2953 B17R2.6158 CCCC(C)NC1CC(C1)c2ccccc2 270004a_100000741246_100000741317 [0,0,1,0,0,1|1,0,0]=3 2954 B17R2.6158 CCCC(C)N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000766640 [0,0,1,0,0,1|1,0,0]=3 2955 B17R2.6158 CCCC(C)N[C@H]1C[C@H](C1)c2ccccc2 270004a_102125402554_100000211909 [0,0,1,0,0,1|1,0,0]=3 2956 B17R2.6158 COCC(C)N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000765312 [0,0,1,0,0,1|0,1,0]=3 2957 B17R2.6158 COCC(C)N[C@H]1C[C@H](C1)c2ccccc2 270004a_102125402554_100000749346 [0,0,1,0,0,1|0,1,0]=3 2958 B17R2.6158 COC[C@@H](C)NC1CC(C1)c2ccccc2 270004a_100000764878_100000741317 [0,0,1,0,0,1|0,1,0]=3 2959 B17R2.6158 CSCC(=O)N[C@H]1C[C@H](C1)c2ccccc2 11a_102125402554_100000184570 [0,0,1,0,0,1|1,0,1]=4 2960 B17R2.6158 CSCC(=O)N[C@H]1C[C@H](C1)c2ccccc2 1626a_102125402554_100000184570 [0,0,1,0,0,1|1,0,1]=4 2961 B17R2.6158 CSCC(=O)N[C@H]1C[C@H](C1)c2ccccc2 527a_102125402554_100000184570 [0,0,1,0,0,1|1,0,1]=4 2962 B17R2.6158 CSCC(C)N[C@H]1C[C@H](C1)c2ccccc2 270004a_102125402554_100011216314 [0,0,1,0,0,1|0,0,0]=2 2963 B17R2.6158 C[C@H](CCO)NC1CC(C1)c2ccccc2 270004a_100000706166_100000741317 [0,0,1,0,0,1|0,1,0]=3 2964 B17R2.3297 C#CCCCNC1CC(C1)c2ccccc2 270004a_100000718082_100000741317 [0,0,1,0,0,1|1,0,1]=4 2965 B17R2.3297 C#CCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000731252 [0,0,1,0,0,1|1,0,1]=4 2966 B17R2.3297 C=CCCCNC1CC(C1)c2ccccc2 270004a_100000700776_100000741317 [0,0,1,0,0,1|1,0,1]=4 2967 B17R2.3297 C=CCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011713584 [0,0,1,0,0,1|1,0,1]=4 2968 B17R2.3297 CC/C=C\CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100103147603 [0,0,1,0,0,1|1,0,1]=4 2969 B17R2.3297 CCC#CCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100009813939 [0,0,1,0,0,1|1,0,1]=4 2970 B17R2.3297 CCCCCNC1CC(C1)c2ccccc2 270004a_100000209983_100000741317 [0,0,1,0,0,1|1,0,0]=3 2971 B17R2.3297 CCCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210326 [0,0,1,0,0,1|1,0,0]=3 2972 B17R2.3297 CCOCCNC1CC(C1)c2ccccc2 270004a_102516460346_100000741317 [0,0,1,0,0,1|0,1,0]=3 2973 B17R2.3297 CCOCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011215890 [0,0,1,0,0,1|0,1,0]=3 2974 B17R2.3297 CCSCCNC1CC(C1)c2ccccc2 270004a_100000106463_100000741317 [0,0,1,0,0,1|0,0,0]=2 2975 B17R2.3297 CCSCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000757381 [0,0,1,0,0,1|0,0,0]=2 2976 B17R2.3297 COCCCNC1CC(C1)c2ccccc2 270004a_100150723488_100000741317 [0,0,1,0,0,1|0,1,0]=3 2977 B17R2.3297 COCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000740836 [0,0,1,0,0,1|0,1,0]=3 2978 B17R2.3297 CSCCCNC1CC(C1)c2ccccc2 270004a_100000749238_100000741317 [0,0,1,0,0,1|0,0,0]=2 2979 B17R2.3297 FCCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000729493 [0,0,1,0,0,1|2,0,0]=4 2980 B17R2.3297 N#CCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000687738 [0,0,1,0,0,1|2,0,0]=4 2981 B17R2.3297 O=CCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200011292268 [0,0,1,0,0,1|2,0,0]=4 2982 B17R2.3297 OCCCCNC1CC(C1)c2ccccc2 270004a_100000750430_100000741317 [0,0,1,0,0,1|2,0,0]=4 2983 B17R2.3297 OCCCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210776 [0,0,1,0,0,1|2,0,0]=4 2984 B17R2.2382 C(#Cc1ccccc1)CNC2CCSCC2 2230a_100000748639_100011352542 [0,0,1,0,0,1|0,0,2]=4 2985 B17R2.2382 C(#Cc1ccccc1)CNC2CCSCC2 34a_100000735379_100000069128 [0,0,1,0,0,1|0,0,2]=4 2986 B17R2.2382 C(#Cc1ccccc1)CNC2CCSCC2 34a_100000748639_100011352542 [0,0,1,0,0,1|0,0,2]=4 2987 B17R2.2382 C(=C/c1ccccc1)\CNC2CCCSC2 270004a_100020603302_100000057913 [0,0,1,0,0,1|0,0,2]=4 2988 B17R2.2382 C(=C/c1ccccc1)\CNC2CCSCC2 2230a_100000748639_100016265936 [0,0,1,0,0,1|0,0,2]=4 2989 B17R2.2382 C(=C/c1ccccc1)\CNC2CCSCC2 270004a_100020603302_100000203788 [0,0,1,0,0,1|0,0,2]=4 2990 B17R2.2382 C(=C/c1ccccc1)\CNC2CCSCC2 34a_100000748639_100016265936 [0,0,1,0,0,1|0,0,2]=4 2991 B17R2.2382 C(=C/c1ccccc1)\CNC2CCSCC2 34a_100020603302_100000069128 [0,0,1,0,0,1|0,0,2]=4 2992 B17R2.2382 C(=Cc1ccccc1)CNC2CCSCC2 270004a_100000748639_100000210105 [0,0,1,0,0,1|0,0,2]=4 2993 B17R2.2382 C1=CC(CCC1)NCCCc2ccccc2 2230a_100000211184_100000751183 [0,0,1,0,0,1|1,0,1]=4 2994 B17R2.2382 C1=CCC(CC1)OCCCc2ccccc2 34a_100000073881_100000211621 [0,0,1,0,0,1|2,0,0]=4 2995 B17R2.2382 c1cc(ccn1)CCCNC2CCCCC2 270004a_100011275580_100000210434 [0,0,1,0,0,1|2,0,0]=4 2996 B17R2.2382 c1cc(ccn1)CCCNC2CCCOC2 270004a_100011275580_100000753404 [0,0,1,0,0,1|1,1,0]=4 2997 B17R2.2382 c1cc(ccn1)CCCNC2CCCSC2 270004a_100011275580_100000057913 [0,0,1,0,0,1|1,0,0]=3 2998 B17R2.2382 c1cc(ccn1)CCCNC2CCNCC2 270004a_100011275580_100015192401 [0,0,1,0,0,1|2,0,0]=4 2999 B17R2.2382 c1cc(ccn1)CCCNC2CCOCC2 270004a_100011275580_100011217826 [0,0,1,0,0,1|1,1,0]=4 3000 B17R2.2382 c1cc(ccn1)CCCNC2CCSCC2 270004a_100011275580_100000203788 [0,0,1,0,0,1|1,0,0]=3 3001 B17R2.2382 c1cc(ccn1)CCCOC2CCSCC2 34a_100000210659_100000069128 [0,0,1,0,0,1|2,0,0]=4 3002 B17R2.2382 c1cc(ccn1)OCCNC2CCCSC2 270004a_100025717301_100000057913 [0,0,1,0,0,1|2,0,0]=4 3003 B17R2.2382 c1cc(ccn1)OCCNC2CCSCC2 270004a_100025717301_100000203788 [0,0,1,0,0,1|2,0,0]=4 3004 B17R2.2382 c1ccc(cc1)CCCCN2CCSCC2 2230a_100000737611_100000701786 [0,0,1,0,0,1|2,0,0]=4 3005 B17R2.2382 c1ccc(cc1)CCCCN2CCSCC2 269982a_100000737611_100000701786 [0,0,1,0,0,1|2,0,0]=4 3006 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 2230a_100000182618_100000211621 [0,0,1,0,0,1|1,0,0]=3 3007 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 270004a_100000211184_100000210434 [0,0,1,0,0,1|1,0,0]=3 3008 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 34a_100000182618_100000211621 [0,0,1,0,0,1|1,0,0]=3 3009 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 34a_100000211184_100000210327 [0,0,1,0,0,1|1,0,0]=3 3010 B17R2.2382 c1ccc(cc1)CCCNC2CCCOC2 2230a_100000719290_100000211621 [0,0,1,0,0,1|0,1,0]=3 3011 B17R2.2382 c1ccc(cc1)CCCNC2CCCOC2 270004a_100000211184_100000753404 [0,0,1,0,0,1|0,1,0]=3 3012 B17R2.2382 c1ccc(cc1)CCCNC2CCCOC2 34a_100000211184_100000693364 [0,0,1,0,0,1|0,1,0]=3 3013 B17R2.2382 c1ccc(cc1)CCCNC2CCCOC2 34a_100000719290_100000211621 [0,0,1,0,0,1|0,1,0]=3 3014 B17R2.2382 c1ccc(cc1)CCCNC2CCCSC2 270004a_100000211184_100000057913 [0,0,1,0,0,1|0,0,0]=2 3015 B17R2.2382 c1ccc(cc1)CCCNC2CCNCC2 270004a_100000211184_100015192401 [0,0,1,0,0,1|1,0,0]=3 3016 B17R2.2382 c1ccc(cc1)CCCNC2CCOCC2 2230a_100000741149_100000211621 [0,0,1,0,0,1|0,1,0]=3 3017 B17R2.2382 c1ccc(cc1)CCCNC2CCOCC2 270004a_100000211184_100011217826 [0,0,1,0,0,1|0,1,0]=3 3018 B17R2.2382 c1ccc(cc1)CCCNC2CCOCC2 34a_100000741149_100000211621 [0,0,1,0,0,1|0,1,0]=3 3019 B17R2.2382 c1ccc(cc1)CCCNC2CCSCC2 2230a_100000748639_100000211621 [0,0,1,0,0,1|0,0,0]=2 3020 B17R2.2382 c1ccc(cc1)CCCNC2CCSCC2 270004a_100000211184_100000203788 [0,0,1,0,0,1|0,0,0]=2 3021 B17R2.2382 c1ccc(cc1)CCCNC2CCSCC2 34a_100000211184_100000069128 [0,0,1,0,0,1|0,0,0]=2 3022 B17R2.2382 c1ccc(cc1)CCCNC2CCSCC2 34a_100000748639_100000211621 [0,0,1,0,0,1|0,0,0]=2 3023 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 34a_100000210231_100000211621 [0,0,1,0,0,1|2,0,0]=4 3024 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 34a_100000210828_100000210327 [0,0,1,0,0,1|2,0,0]=4 3025 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 7a_100000210231_100000211621 [0,0,1,0,0,1|2,0,0]=4 3026 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 7a_100000210828_100000210327 [0,0,1,0,0,1|2,0,0]=4 3027 B17R2.2382 c1ccc(cc1)CCCOC2CCCCO2 34a_100000033831_100000211621 [0,0,1,0,0,1|2,0,0]=4 3028 B17R2.2382 c1ccc(cc1)CCCOC2CCCOC2 34a_100000210828_100000693364 [0,0,1,0,0,1|1,1,0]=4 3029 B17R2.2382 c1ccc(cc1)CCCOC2CCCOC2 34a_100000754041_100000211621 [0,0,1,0,0,1|1,1,0]=4 3030 B17R2.2382 c1ccc(cc1)CCCOC2CCCOC2 7a_100000210828_100000693364 [0,0,1,0,0,1|1,1,0]=4 3031 B17R2.2382 c1ccc(cc1)CCCOC2CCCSC2 7a_100015962668_100000211621 [0,0,1,0,0,1|1,0,0]=3 3032 B17R2.2382 c1ccc(cc1)CCCOC2CCOCC2 34a_100000744328_100000211621 [0,0,1,0,0,1|1,1,0]=4 3033 B17R2.2382 c1ccc(cc1)CCCOC2CCOCC2 7a_100000210828_100000686592 [0,0,1,0,0,1|1,1,0]=4 3034 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 34a_100000210828_100000069128 [0,0,1,0,0,1|1,0,0]=3 3035 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 34a_100000731022_100000211621 [0,0,1,0,0,1|1,0,0]=3 3036 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 7a_100000210828_100011500858 [0,0,1,0,0,1|1,0,0]=3 3037 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 7a_100000731022_100000211621 [0,0,1,0,0,1|1,0,0]=3 3038 B17R2.2382 c1ccc(cc1)CCCSC2CCCCC2 62a_100000210327_100000211621 [0,0,1,0,0,1|2,0,0]=4 3039 B17R2.2382 c1ccc(cc1)CCCSC2CCCCC2 62a_100000211621_100000210327 [0,0,1,0,0,1|2,0,0]=4 3040 B17R2.2382 c1ccc(cc1)CCCSC2CCCOC2 62a_100000211621_100000693364 [0,0,1,0,0,1|1,1,0]=4 3041 B17R2.2382 c1ccc(cc1)CCCSC2CCOCC2 62a_100000211621_100011324220 [0,0,1,0,0,1|1,1,0]=4 3042 B17R2.2382 c1ccc(cc1)CCCSC2CCSCC2 62a_100000211621_100000069128 [0,0,1,0,0,1|1,0,0]=3 3043 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 2230a_100015188806_100000765856 [0,0,1,0,0,1|2,0,0]=4 3044 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 269862a_100000106460_100000067145 [0,0,1,0,0,1|2,0,0]=4 3045 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 270004a_100000106460_100000067145 [0,0,1,0,0,1|2,0,0]=4 3046 B17R2.2382 c1ccc(cc1)CCNCC2CCSCC2 34a_100015188806_100000765856 [0,0,1,0,0,1|2,0,0]=4 3047 B17R2.2382 c1ccc(cc1)CCOCC2CCSCC2 34a_100000070558_100000765856 [0,0,1,0,0,1|2,0,0]=4 3048 B17R2.2382 c1ccc(cc1)CCOCC2CCSCC2 7a_100000070558_100000765856 [0,0,1,0,0,1|2,0,0]=4 3049 B17R2.2382 c1ccc(cc1)COCNC2CCCCC2 2230a_100000182618_100000763385 [0,0,1,0,0,1|2,0,0]=4 3050 B17R2.2382 c1ccc(cc1)COCNC2CCCCC2 34a_100000182618_100000763385 [0,0,1,0,0,1|2,0,0]=4 3051 B17R2.2382 c1ccc(cc1)COCNC2CCCOC2 2230a_100000719290_100000763385 [0,0,1,0,0,1|1,1,0]=4 3052 B17R2.2382 c1ccc(cc1)COCNC2CCCOC2 34a_100000719290_100000763385 [0,0,1,0,0,1|1,1,0]=4 3053 B17R2.2382 c1ccc(cc1)COCNC2CCOCC2 2230a_100000741149_100000763385 [0,0,1,0,0,1|1,1,0]=4 3054 B17R2.2382 c1ccc(cc1)COCNC2CCOCC2 34a_100000741149_100000763385 [0,0,1,0,0,1|1,1,0]=4 3055 B17R2.2382 c1ccc(cc1)COCNC2CCSCC2 2230a_100000748639_100000763385 [0,0,1,0,0,1|1,0,0]=3 3056 B17R2.2382 c1ccc(cc1)COCNC2CCSCC2 34a_100000748639_100000763385 [0,0,1,0,0,1|1,0,0]=3 3057 B17R2.2382 c1ccc(cc1)COCOC2CCSCC2 34a_100000731022_100000763385 [0,0,1,0,0,1|2,0,0]=4 3058 B17R2.2382 c1ccc(cc1)COCSC2CCSCC2 62a_100000763385_100000069128 [0,0,1,0,0,1|2,0,0]=4 3059 B17R2.2382 c1ccc(cc1)CSCNC2CCCCC2 2230a_100000182618_200011217039 [0,0,1,0,0,1|2,0,0]=4 3060 B17R2.2382 c1ccc(cc1)CSCNC2CCCCC2 34a_100000182618_200011217039 [0,0,1,0,0,1|2,0,0]=4 3061 B17R2.2382 c1ccc(cc1)CSCNC2CCCOC2 2230a_100000719290_200011217039 [0,0,1,0,0,1|1,1,0]=4 3062 B17R2.2382 c1ccc(cc1)CSCNC2CCCOC2 34a_100000719290_200011217039 [0,0,1,0,0,1|1,1,0]=4 3063 B17R2.2382 c1ccc(cc1)CSCNC2CCOCC2 2230a_100000741149_200011217039 [0,0,1,0,0,1|1,1,0]=4 3064 B17R2.2382 c1ccc(cc1)CSCNC2CCOCC2 34a_100000741149_200011217039 [0,0,1,0,0,1|1,1,0]=4 3065 B17R2.2382 c1ccc(cc1)CSCNC2CCSCC2 2230a_100000748639_200011217039 [0,0,1,0,0,1|1,0,0]=3 3066 B17R2.2382 c1ccc(cc1)CSCNC2CCSCC2 34a_100000748639_200011217039 [0,0,1,0,0,1|1,0,0]=3 3067 B17R2.2382 c1ccc(cc1)CSCOC2CCSCC2 34a_100000731022_200011217039 [0,0,1,0,0,1|2,0,0]=4 3068 B17R2.2382 c1ccc(cc1)CSCSC2CCSCC2 62a_200011217039_100000069128 [0,0,1,0,0,1|2,0,0]=4 3069 B17R2.2382 c1ccc(cc1)NCCOC2CCSCC2 34a_100000211345_100000069128 [0,0,1,0,0,1|2,0,0]=4 3070 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 2230a_100000182618_100000184471 [0,0,1,0,0,1|2,0,0]=4 3071 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 270004a_100000174943_100000210434 [0,0,1,0,0,1|2,0,0]=4 3072 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 270004a_100000182618_100000758736 [0,0,1,0,0,1|2,0,0]=4 3073 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 34a_100000174943_100000210327 [0,0,1,0,0,1|2,0,0]=4 3074 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 34a_100000182618_100000184471 [0,0,1,0,0,1|2,0,0]=4 3075 B17R2.2382 c1ccc(cc1)OCCNC2CCCOC2 2230a_100000719290_100000184471 [0,0,1,0,0,1|1,1,0]=4 3076 B17R2.2382 c1ccc(cc1)OCCNC2CCCOC2 270004a_100000174943_100000753404 [0,0,1,0,0,1|1,1,0]=4 3077 B17R2.2382 c1ccc(cc1)OCCNC2CCCOC2 270004a_100000719290_100000758736 [0,0,1,0,0,1|1,1,0]=4 3078 B17R2.2382 c1ccc(cc1)OCCNC2CCCOC2 34a_100000174943_100000693364 [0,0,1,0,0,1|1,1,0]=4 3079 B17R2.2382 c1ccc(cc1)OCCNC2CCCOC2 34a_100000719290_100000184471 [0,0,1,0,0,1|1,1,0]=4 3080 B17R2.2382 c1ccc(cc1)OCCNC2CCCSC2 270004a_100000174943_100000057913 [0,0,1,0,0,1|1,0,0]=3 3081 B17R2.2382 c1ccc(cc1)OCCNC2CCNCC2 270004a_100000174943_100015192401 [0,0,1,0,0,1|2,0,0]=4 3082 B17R2.2382 c1ccc(cc1)OCCNC2CCOCC2 2230a_100000741149_100000184471 [0,0,1,0,0,1|1,1,0]=4 3083 B17R2.2382 c1ccc(cc1)OCCNC2CCOCC2 270004a_100000174943_100011217826 [0,0,1,0,0,1|1,1,0]=4 3084 B17R2.2382 c1ccc(cc1)OCCNC2CCOCC2 270004a_100000741149_100000758736 [0,0,1,0,0,1|1,1,0]=4 3085 B17R2.2382 c1ccc(cc1)OCCNC2CCOCC2 34a_100000741149_100000184471 [0,0,1,0,0,1|1,1,0]=4 3086 B17R2.2382 c1ccc(cc1)OCCNC2CCSCC2 2230a_100000748639_100000184471 [0,0,1,0,0,1|1,0,0]=3 3087 B17R2.2382 c1ccc(cc1)OCCNC2CCSCC2 270004a_100000174943_100000203788 [0,0,1,0,0,1|1,0,0]=3 3088 B17R2.2382 c1ccc(cc1)OCCNC2CCSCC2 270004a_100000748639_100000758736 [0,0,1,0,0,1|1,0,0]=3 3089 B17R2.2382 c1ccc(cc1)OCCNC2CCSCC2 34a_100000174943_100000069128 [0,0,1,0,0,1|1,0,0]=3 3090 B17R2.2382 c1ccc(cc1)OCCNC2CCSCC2 34a_100000748639_100000184471 [0,0,1,0,0,1|1,0,0]=3 3091 B17R2.2382 c1ccc(cc1)OCCOC2CCCSC2 7a_100015962668_100000184471 [0,0,1,0,0,1|2,0,0]=4 3092 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 34a_100000210260_100000069128 [0,0,1,0,0,1|2,0,0]=4 3093 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 34a_100000731022_100000184471 [0,0,1,0,0,1|2,0,0]=4 3094 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 7a_100000210260_100011500858 [0,0,1,0,0,1|2,0,0]=4 3095 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 7a_100000731022_100000184471 [0,0,1,0,0,1|2,0,0]=4 3096 B17R2.2382 c1ccc(cc1)OCCSC2CCSCC2 62a_100000184471_100000069128 [0,0,1,0,0,1|2,0,0]=4 3097 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 2230a_100000182618_100000246102 [0,0,1,0,0,1|2,0,0]=4 3098 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 270004a_100000189519_100000210434 [0,0,1,0,0,1|2,0,0]=4 3099 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 34a_100000182618_100000246102 [0,0,1,0,0,1|2,0,0]=4 3100 B17R2.2382 c1ccc(cc1)SCCNC2CCCOC2 2230a_100000719290_100000246102 [0,0,1,0,0,1|1,1,0]=4 3101 B17R2.2382 c1ccc(cc1)SCCNC2CCCOC2 270004a_100000189519_100000753404 [0,0,1,0,0,1|1,1,0]=4 3102 B17R2.2382 c1ccc(cc1)SCCNC2CCCOC2 34a_100000719290_100000246102 [0,0,1,0,0,1|1,1,0]=4 3103 B17R2.2382 c1ccc(cc1)SCCNC2CCCSC2 270004a_100000189519_100000057913 [0,0,1,0,0,1|1,0,0]=3 3104 B17R2.2382 c1ccc(cc1)SCCNC2CCNCC2 270004a_100000189519_100015192401 [0,0,1,0,0,1|2,0,0]=4 3105 B17R2.2382 c1ccc(cc1)SCCNC2CCOCC2 2230a_100000741149_100000246102 [0,0,1,0,0,1|1,1,0]=4 3106 B17R2.2382 c1ccc(cc1)SCCNC2CCOCC2 270004a_100000189519_100011217826 [0,0,1,0,0,1|1,1,0]=4 3107 B17R2.2382 c1ccc(cc1)SCCNC2CCOCC2 34a_100000741149_100000246102 [0,0,1,0,0,1|1,1,0]=4 3108 B17R2.2382 c1ccc(cc1)SCCNC2CCSCC2 2230a_100000748639_100000246102 [0,0,1,0,0,1|1,0,0]=3 3109 B17R2.2382 c1ccc(cc1)SCCNC2CCSCC2 270004a_100000189519_100000203788 [0,0,1,0,0,1|1,0,0]=3 3110 B17R2.2382 c1ccc(cc1)SCCNC2CCSCC2 34a_100000748639_100000246102 [0,0,1,0,0,1|1,0,0]=3 3111 B17R2.2382 c1ccc(cc1)SCCOC2CCCSC2 7a_100015962668_100000246102 [0,0,1,0,0,1|2,0,0]=4 3112 B17R2.2382 c1ccc(cc1)SCCOC2CCSCC2 34a_100000731022_100000246102 [0,0,1,0,0,1|2,0,0]=4 3113 B17R2.2382 c1ccc(cc1)SCCOC2CCSCC2 7a_100000230494_100011500858 [0,0,1,0,0,1|2,0,0]=4 3114 B17R2.2382 c1ccc(cc1)SCCOC2CCSCC2 7a_100000731022_100000246102 [0,0,1,0,0,1|2,0,0]=4 3115 B17R2.2382 c1ccc(cc1)SCCSC2CCSCC2 62a_100000246102_100000069128 [0,0,1,0,0,1|2,0,0]=4 3116 B17R2.2382 c1ccc(nc1)CCCNC2CCCCC2 270004a_100000689020_100000210434 [0,0,1,0,0,1|2,0,0]=4 3117 B17R2.2382 c1ccc(nc1)CCCNC2CCCOC2 270004a_100000689020_100000753404 [0,0,1,0,0,1|1,1,0]=4 3118 B17R2.2382 c1ccc(nc1)CCCNC2CCCSC2 270004a_100000689020_100000057913 [0,0,1,0,0,1|1,0,0]=3 3119 B17R2.2382 c1ccc(nc1)CCCNC2CCNCC2 270004a_100000689020_100015192401 [0,0,1,0,0,1|2,0,0]=4 3120 B17R2.2382 c1ccc(nc1)CCCNC2CCOCC2 270004a_100000689020_100011217826 [0,0,1,0,0,1|1,1,0]=4 3121 B17R2.2382 c1ccc(nc1)CCCNC2CCSCC2 270004a_100000689020_100000203788 [0,0,1,0,0,1|1,0,0]=3 3122 B17R2.2382 c1ccc(nc1)CCCOC2CCSCC2 34a_100011215068_100000069128 [0,0,1,0,0,1|2,0,0]=4 3123 B17R2.2382 c1ccc(nc1)OCCNC2CCCSC2 270004a_106741647558_100000057913 [0,0,1,0,0,1|2,0,0]=4 3124 B17R2.2382 c1ccc(nc1)OCCNC2CCSCC2 270004a_106741647558_100000203788 [0,0,1,0,0,1|2,0,0]=4 3125 B17R2.2382 c1cncc(c1)CCCNC2CCCCC2 270004a_100011532358_100000210434 [0,0,1,0,0,1|2,0,0]=4 3126 B17R2.2382 c1cncc(c1)CCCNC2CCCCC2 34a_100011532358_100000210327 [0,0,1,0,0,1|2,0,0]=4 3127 B17R2.2382 c1cncc(c1)CCCNC2CCCOC2 270004a_100011532358_100000753404 [0,0,1,0,0,1|1,1,0]=4 3128 B17R2.2382 c1cncc(c1)CCCNC2CCCOC2 34a_100011532358_100000693364 [0,0,1,0,0,1|1,1,0]=4 3129 B17R2.2382 c1cncc(c1)CCCNC2CCCSC2 270004a_100011532358_100000057913 [0,0,1,0,0,1|1,0,0]=3 3130 B17R2.2382 c1cncc(c1)CCCNC2CCNCC2 270004a_100011532358_100015192401 [0,0,1,0,0,1|2,0,0]=4 3131 B17R2.2382 c1cncc(c1)CCCNC2CCOCC2 270004a_100011532358_100011217826 [0,0,1,0,0,1|1,1,0]=4 3132 B17R2.2382 c1cncc(c1)CCCNC2CCSCC2 270004a_100011532358_100000203788 [0,0,1,0,0,1|1,0,0]=3 3133 B17R2.2382 c1cncc(c1)CCCNC2CCSCC2 34a_100011532358_100000069128 [0,0,1,0,0,1|1,0,0]=3 3134 B17R2.2382 c1cncc(c1)CCCOC2CCSCC2 34a_100000211284_100000069128 [0,0,1,0,0,1|2,0,0]=4 3135 B17R2.2382 c1cncc(c1)OCCNC2CCCSC2 270004a_100000754688_100000057913 [0,0,1,0,0,1|2,0,0]=4 3136 B17R2.2382 c1cncc(c1)OCCNC2CCSCC2 270004a_100000754688_100000203788 [0,0,1,0,0,1|2,0,0]=4 3137 B17R2.2383 C(=NNC1CCCC1)CCc2ccccc2 4a_100000737850_100000198083 [0,0,1,0,0,1|1,0,1]=4 3138 B17R2.2383 C(=NNC1CCOC1)CCc2ccccc2 4a_100000690549_100000198083 [0,0,1,0,0,1|0,1,1]=4 3139 B17R2.2383 C(=NNC1CCSC1)CCc2ccccc2 4a_200000731317_100000198083 [0,0,1,0,0,1|0,0,1]=3 3140 B17R2.2383 C(=NNC1CCSC1)COc2ccccc2 4a_200000731317_100000758736 [0,0,1,0,0,1|1,0,1]=4 3141 B17R2.2383 C1=CCC(C1)NCCCCc2ccccc2 2230a_100015188752_100000701786 [0,0,1,0,0,1|1,0,1]=4 3142 B17R2.2383 C1=CCC(C1)NCCCOc2ccccc2 2230a_100015188752_100000199009 [0,0,1,0,0,1|1,0,1]=4 3143 B17R2.2383 C1=CCC(C1)NCCCSc2ccccc2 2230a_100015188752_200011203293 [0,0,1,0,0,1|1,0,1]=4 3144 B17R2.2383 C1=CCC(C1)NCCOCc2ccccc2 2230a_100015188752_100000234347 [0,0,1,0,0,1|1,0,1]=4 3145 B17R2.2383 C1=CCC(C1)NCCSCc2ccccc2 2230a_100015188752_200011297719 [0,0,1,0,0,1|1,0,1]=4 3146 B17R2.2383 c1cc(ccn1)CCCCNC2CCCC2 2230a_100000211070_100020630000 [0,0,1,0,0,1|2,0,0]=4 3147 B17R2.2383 c1cc(ccn1)CCCCN[C@@H]2CCOC2 2230a_200015188469_100020630000 [0,0,1,0,0,1|1,1,0]=4 3148 B17R2.2383 c1cc(ccn1)CCCCN[C@H]2CCOC2 2230a_100015188467_100020630000 [0,0,1,0,0,1|1,1,0]=4 3149 B17R2.2383 c1cc(ccn1)CCCCOC2CCSC2 7a_100011232664_100020630000 [0,0,1,0,0,1|2,0,0]=4 3150 B17R2.2383 c1cc(ccn1)CCCNCC2CCCC2 2230a_100011275580_100000740388 [0,0,1,0,0,1|2,0,0]=4 3151 B17R2.2383 c1cc(ccn1)CCCNCC2CCCC2 269862a_100011275580_100000746403 [0,0,1,0,0,1|2,0,0]=4 3152 B17R2.2383 c1cc(ccn1)CCCNCC2CCOC2 2230a_100011275580_100000702531 [0,0,1,0,0,1|1,1,0]=4 3153 B17R2.2383 c1ccc(cc1)CCCCCN2CCSC2 2230a_100011215254_200011217138 [0,0,1,0,0,1|2,0,0]=4 3154 B17R2.2383 c1ccc(cc1)CCCCCN2CCSC2 269982a_100011215254_200011217138 [0,0,1,0,0,1|2,0,0]=4 3155 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 2230a_100000211070_100000701786 [0,0,1,0,0,1|1,0,0]=3 3156 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 2230a_100015280158_100000179811 [0,0,1,0,0,1|1,0,0]=3 3157 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 270004a_100015280158_100000210133 [0,0,1,0,0,1|1,0,0]=3 3158 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 34a_100000211070_100000701786 [0,0,1,0,0,1|1,0,0]=3 3159 B17R2.2383 c1ccc(cc1)CCCCNC2CCCC2 34a_100015280158_100000179811 [0,0,1,0,0,1|1,0,0]=3 3160 B17R2.2383 c1ccc(cc1)CCCCNC2CCOC2 2230a_100015280158_100000731011 [0,0,1,0,0,1|0,1,0]=3 3161 B17R2.2383 c1ccc(cc1)CCCCNC2CCOC2 270004a_100015280158_100000752484 [0,0,1,0,0,1|0,1,0]=3 3162 B17R2.2383 c1ccc(cc1)CCCCNC2CCOC2 34a_100015280158_100000690089 [0,0,1,0,0,1|0,1,0]=3 3163 B17R2.2383 c1ccc(cc1)CCCCNC2CCSC2 270004a_100015280158_100000212027 [0,0,1,0,0,1|0,0,0]=2 3164 B17R2.2383 c1ccc(cc1)CCCCN[C@@H]2CCOC2 2230a_200015188469_100000701786 [0,0,1,0,0,1|0,1,0]=3 3165 B17R2.2383 c1ccc(cc1)CCCCN[C@H]2CCOC2 2230a_100015188467_100000701786 [0,0,1,0,0,1|0,1,0]=3 3166 B17R2.2383 c1ccc(cc1)CCCCN[C@H]2CCOC2 34a_100015188467_100000701786 [0,0,1,0,0,1|0,1,0]=3 3167 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 34a_100000210269_100000701786 [0,0,1,0,0,1|2,0,0]=4 3168 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 34a_100000703073_100000179811 [0,0,1,0,0,1|2,0,0]=4 3169 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 7a_100000210269_100000701786 [0,0,1,0,0,1|2,0,0]=4 3170 B17R2.2383 c1ccc(cc1)CCCCOC2CCCC2 7a_100000703073_100000179811 [0,0,1,0,0,1|2,0,0]=4 3171 B17R2.2383 c1ccc(cc1)CCCCOC2CCOC2 34a_100000703073_100000690089 [0,0,1,0,0,1|1,1,0]=4 3172 B17R2.2383 c1ccc(cc1)CCCCOC2CCOC2 7a_100000703073_100000731011 [0,0,1,0,0,1|1,1,0]=4 3173 B17R2.2383 c1ccc(cc1)CCCCOC2CCSC2 7a_100011232664_100000701786 [0,0,1,0,0,1|1,0,0]=3 3174 B17R2.2383 c1ccc(cc1)CCCCO[C@H]2CCOC2 34a_100000717292_100000701786 [0,0,1,0,0,1|1,1,0]=4 3175 B17R2.2383 c1ccc(cc1)CCCCSC2CCCC2 62a_100000701786_100000179811 [0,0,1,0,0,1|2,0,0]=4 3176 B17R2.2383 c1ccc(cc1)CCCCSC2CCCC2 62a_100011217020_100000701786 [0,0,1,0,0,1|2,0,0]=4 3177 B17R2.2383 c1ccc(cc1)CCCCSC2CCOC2 62a_100000701786_100000690089 [0,0,1,0,0,1|1,1,0]=4 3178 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 2230a_100000211184_100000740388 [0,0,1,0,0,1|1,0,0]=3 3179 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 2230a_100000737975_100000211621 [0,0,1,0,0,1|1,0,0]=3 3180 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 269862a_100000211184_100000746403 [0,0,1,0,0,1|1,0,0]=3 3181 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 34a_100000211184_100000740388 [0,0,1,0,0,1|1,0,0]=3 3182 B17R2.2383 c1ccc(cc1)CCCNCC2CCCC2 34a_100000737975_100000211621 [0,0,1,0,0,1|1,0,0]=3 3183 B17R2.2383 c1ccc(cc1)CCCNCC2CCCO2 2230a_100000211184_100000203698 [0,0,1,0,0,1|2,0,0]=4 3184 B17R2.2383 c1ccc(cc1)CCCNCC2CCOC2 2230a_100000211184_100000702531 [0,0,1,0,0,1|0,1,0]=3 3185 B17R2.2383 c1ccc(cc1)CCCNCC2CCOC2 2230a_100000737293_100000211621 [0,0,1,0,0,1|0,1,0]=3 3186 B17R2.2383 c1ccc(cc1)CCCNCC2CCOC2 34a_100000211184_100011261433 [0,0,1,0,0,1|0,1,0]=3 3187 B17R2.2383 c1ccc(cc1)CCCNCC2CCOC2 34a_100000737293_100000211621 [0,0,1,0,0,1|0,1,0]=3 3188 B17R2.2383 c1ccc(cc1)CCCNC[C@@H]2CCCO2 2230a_100020590478_100000211621 [0,0,1,0,0,1|2,0,0]=4 3189 B17R2.2383 c1ccc(cc1)CCCNC[C@@H]2CCCO2 34a_100020590478_100000211621 [0,0,1,0,0,1|2,0,0]=4 3190 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 34a_100000210828_100000740388 [0,0,1,0,0,1|2,0,0]=4 3191 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 34a_100000742336_100000211621 [0,0,1,0,0,1|2,0,0]=4 3192 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 7a_100000210828_100000740388 [0,0,1,0,0,1|2,0,0]=4 3193 B17R2.2383 c1ccc(cc1)CCCOCC2CCCC2 7a_100000742336_100000211621 [0,0,1,0,0,1|2,0,0]=4 3194 B17R2.2383 c1ccc(cc1)CCCOCC2CCNC2 34a_100000748654_100000211621 [0,0,1,0,0,1|2,0,0]=4 3195 B17R2.2383 c1ccc(cc1)CCCOCC2CCOC2 34a_100000210828_100011261433 [0,0,1,0,0,1|1,1,0]=4 3196 B17R2.2383 c1ccc(cc1)CCCOCC2CCOC2 34a_100000740260_100000211621 [0,0,1,0,0,1|1,1,0]=4 3197 B17R2.2383 c1ccc(cc1)CCCOCC2CCOC2 7a_100000210828_100000702531 [0,0,1,0,0,1|1,1,0]=4 3198 B17R2.2383 c1ccc(cc1)CCCSCC2CCCC2 62a_100000211621_100000740388 [0,0,1,0,0,1|2,0,0]=4 3199 B17R2.2383 c1ccc(cc1)CCCSCC2CCCC2 62a_100000740388_100000211621 [0,0,1,0,0,1|2,0,0]=4 3200 B17R2.2383 c1ccc(cc1)CCCSCC2CCOC2 62a_100000211621_100000702531 [0,0,1,0,0,1|1,1,0]=4 3201 B17R2.2383 c1ccc(cc1)CCCSCC2CCOC2 62a_100000702531_100000211621 [0,0,1,0,0,1|1,1,0]=4 3202 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 2230a_100000106460_100000760354 [0,0,1,0,0,1|2,0,0]=4 3203 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 2230a_100000739158_100000765856 [0,0,1,0,0,1|2,0,0]=4 3204 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 34a_100000106460_100000760354 [0,0,1,0,0,1|2,0,0]=4 3205 B17R2.2383 c1ccc(cc1)CCNCCC2CCCC2 34a_100000739158_100000765856 [0,0,1,0,0,1|2,0,0]=4 3206 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 34a_100000210268_100000760354 [0,0,1,0,0,1|2,0,0]=4 3207 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 34a_100000749090_100000765856 [0,0,1,0,0,1|2,0,0]=4 3208 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 7a_100000210268_100000760354 [0,0,1,0,0,1|2,0,0]=4 3209 B17R2.2383 c1ccc(cc1)CCOCCC2CCCC2 7a_100000749090_100000765856 [0,0,1,0,0,1|2,0,0]=4 3210 B17R2.2383 c1ccc(cc1)CCOCCC2CCNC2 34a_100016987287_100000765856 [0,0,1,0,0,1|2,0,0]=4 3211 B17R2.2383 c1ccc(cc1)CCOCCC2CCOC2 34a_100011879284_100000765856 [0,0,1,0,0,1|1,1,0]=4 3212 B17R2.2383 c1ccc(cc1)CCSCCC2CCCC2 62a_100000760354_100011218657 [0,0,1,0,0,1|2,0,0]=4 3213 B17R2.2383 c1ccc(cc1)CCSCCC2CCCC2 62a_100000765856_100000760354 [0,0,1,0,0,1|2,0,0]=4 3214 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 207a_100000736752_100015611070 [0,0,1,0,0,1|2,0,0]=4 3215 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 2230a_100000736752_100015291786 [0,0,1,0,0,1|2,0,0]=4 3216 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 2230a_100015324214_100011713738 [0,0,1,0,0,1|2,0,0]=4 3217 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 270004a_100000736752_100015611070 [0,0,1,0,0,1|2,0,0]=4 3218 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 34a_100000736752_100015291786 [0,0,1,0,0,1|2,0,0]=4 3219 B17R2.2383 c1ccc(cc1)CNCCCC2CCCC2 34a_100015324214_100011713738 [0,0,1,0,0,1|2,0,0]=4 3220 B17R2.2383 c1ccc(cc1)CNCCOC2CCCC2 207a_100000741755_100015611070 [0,0,1,0,0,1|2,0,0]=4 3221 B17R2.2383 c1ccc(cc1)CNCCOC2CCCC2 270004a_100000741755_100015611070 [0,0,1,0,0,1|2,0,0]=4 3222 B17R2.2383 c1ccc(cc1)CNCCOC2CCCC2 34a_100000180844_100000179811 [0,0,1,0,0,1|2,0,0]=4 3223 B17R2.2383 c1ccc(cc1)CNCCOC2CCCC2 34a_100000741755_100015291786 [0,0,1,0,0,1|2,0,0]=4 3224 B17R2.2383 c1ccc(cc1)CNCCOC2CCOC2 34a_100000180844_100000690089 [0,0,1,0,0,1|1,1,0]=4 3225 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 34a_100000210790_100011713738 [0,0,1,0,0,1|2,0,0]=4 3226 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 34a_100011215328_100015291786 [0,0,1,0,0,1|2,0,0]=4 3227 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 7a_100000210790_100011713738 [0,0,1,0,0,1|2,0,0]=4 3228 B17R2.2383 c1ccc(cc1)COCCCC2CCCC2 7a_100011215328_100000211182 [0,0,1,0,0,1|2,0,0]=4 3229 B17R2.2383 c1ccc(cc1)COCCCN2CCSC2 2230a_100011215254_100011215529 [0,0,1,0,0,1|2,0,0]=4 3230 B17R2.2383 c1ccc(cc1)COCCCN2CCSC2 269982a_100011215254_100011215529 [0,0,1,0,0,1|2,0,0]=4 3231 B17R2.2383 c1ccc(cc1)COCCNC2CCCC2 2230a_100000211070_100000234347 [0,0,1,0,0,1|1,0,0]=3 3232 B17R2.2383 c1ccc(cc1)COCCNC2CCCC2 2230a_100000753106_100000179811 [0,0,1,0,0,1|1,0,0]=3 3233 B17R2.2383 c1ccc(cc1)COCCNC2CCCC2 270004a_100000753106_100000210133 [0,0,1,0,0,1|1,0,0]=3 3234 B17R2.2383 c1ccc(cc1)COCCNC2CCCC2 34a_100000211070_100000234347 [0,0,1,0,0,1|1,0,0]=3 3235 B17R2.2383 c1ccc(cc1)COCCNC2CCCC2 34a_100000753106_100000179811 [0,0,1,0,0,1|1,0,0]=3 3236 B17R2.2383 c1ccc(cc1)COCCNC2CCCC2 34a_200000200444_100015291786 [0,0,1,0,0,1|1,0,0]=3 3237 B17R2.2383 c1ccc(cc1)COCCNC2CCOC2 2230a_100000753106_100000731011 [0,0,1,0,0,1|0,1,0]=3 3238 B17R2.2383 c1ccc(cc1)COCCNC2CCOC2 270004a_100000753106_100000752484 [0,0,1,0,0,1|0,1,0]=3 3239 B17R2.2383 c1ccc(cc1)COCCNC2CCOC2 34a_100000753106_100000690089 [0,0,1,0,0,1|0,1,0]=3 3240 B17R2.2383 c1ccc(cc1)COCCNC2CCSC2 270004a_100000753106_100000212027 [0,0,1,0,0,1|0,0,0]=2 3241 B17R2.2383 c1ccc(cc1)COCCN[C@@H]2CCOC2 2230a_200015188469_100000234347 [0,0,1,0,0,1|0,1,0]=3 3242 B17R2.2383 c1ccc(cc1)COCCN[C@H]2CCOC2 2230a_100015188467_100000234347 [0,0,1,0,0,1|0,1,0]=3 3243 B17R2.2383 c1ccc(cc1)COCCN[C@H]2CCOC2 34a_100015188467_100000234347 [0,0,1,0,0,1|0,1,0]=3 3244 B17R2.2383 c1ccc(cc1)COCCOC2CCCC2 34a_100000210269_100000234347 [0,0,1,0,0,1|2,0,0]=4 3245 B17R2.2383 c1ccc(cc1)COCCOC2CCCC2 34a_100000738311_100015291786 [0,0,1,0,0,1|2,0,0]=4 3246 B17R2.2383 c1ccc(cc1)COCCOC2CCCC2 34a_100000759325_100000179811 [0,0,1,0,0,1|2,0,0]=4 3247 B17R2.2383 c1ccc(cc1)COCCOC2CCCC2 7a_100000210269_100000234347 [0,0,1,0,0,1|2,0,0]=4 3248 B17R2.2383 c1ccc(cc1)COCCOC2CCCC2 7a_100000738311_100000211182 [0,0,1,0,0,1|2,0,0]=4 3249 B17R2.2383 c1ccc(cc1)COCCOC2CCCC2 7a_100000759325_100000179811 [0,0,1,0,0,1|2,0,0]=4 3250 B17R2.2383 c1ccc(cc1)COCCOC2CCOC2 34a_100000759325_100000690089 [0,0,1,0,0,1|1,1,0]=4 3251 B17R2.2383 c1ccc(cc1)COCCOC2CCOC2 7a_100000759325_100000731011 [0,0,1,0,0,1|1,1,0]=4 3252 B17R2.2383 c1ccc(cc1)COCCOC2CCSC2 7a_100011232664_100000234347 [0,0,1,0,0,1|1,0,0]=3 3253 B17R2.2383 c1ccc(cc1)COCCO[C@H]2CCOC2 34a_100000717292_100000234347 [0,0,1,0,0,1|1,1,0]=4 3254 B17R2.2383 c1ccc(cc1)COCCSC2CCCC2 62a_100000234347_100000179811 [0,0,1,0,0,1|2,0,0]=4 3255 B17R2.2383 c1ccc(cc1)COCCSC2CCCC2 62a_100011217020_100000234347 [0,0,1,0,0,1|2,0,0]=4 3256 B17R2.2383 c1ccc(cc1)COCCSC2CCOC2 62a_100000234347_100000690089 [0,0,1,0,0,1|1,1,0]=4 3257 B17R2.2383 c1ccc(cc1)COCNCC2CCCC2 2230a_100000737975_100000763385 [0,0,1,0,0,1|2,0,0]=4 3258 B17R2.2383 c1ccc(cc1)COCNCC2CCCC2 34a_100000737975_100000763385 [0,0,1,0,0,1|2,0,0]=4 3259 B17R2.2383 c1ccc(cc1)COCNCC2CCOC2 2230a_100000737293_100000763385 [0,0,1,0,0,1|1,1,0]=4 3260 B17R2.2383 c1ccc(cc1)COCNCC2CCOC2 34a_100000737293_100000763385 [0,0,1,0,0,1|1,1,0]=4 3261 B17R2.2383 c1ccc(cc1)CSCCCC2CCCC2 62a_100000211182_100011713738 [0,0,1,0,0,1|2,0,0]=4 3262 B17R2.2383 c1ccc(cc1)CSCCCC2CCCC2 62a_100011713738_100015291786 [0,0,1,0,0,1|2,0,0]=4 3263 B17R2.2383 c1ccc(cc1)CSCCNC2CCCC2 2230a_100000189534_100000179811 [0,0,1,0,0,1|1,0,0]=3 3264 B17R2.2383 c1ccc(cc1)CSCCNC2CCCC2 2230a_100000211070_200011297719 [0,0,1,0,0,1|1,0,0]=3 3265 B17R2.2383 c1ccc(cc1)CSCCNC2CCCC2 270004a_100000189534_100000210133 [0,0,1,0,0,1|1,0,0]=3 3266 B17R2.2383 c1ccc(cc1)CSCCNC2CCCC2 34a_100000189534_100000179811 [0,0,1,0,0,1|1,0,0]=3 3267 B17R2.2383 c1ccc(cc1)CSCCNC2CCCC2 34a_100000211070_200011297719 [0,0,1,0,0,1|1,0,0]=3 3268 B17R2.2383 c1ccc(cc1)CSCCNC2CCCC2 7a_100000189534_100000179811 [0,0,1,0,0,1|1,0,0]=3 3269 B17R2.2383 c1ccc(cc1)CSCCNC2CCOC2 2230a_100000189534_100000731011 [0,0,1,0,0,1|0,1,0]=3 3270 B17R2.2383 c1ccc(cc1)CSCCNC2CCOC2 270004a_100000189534_100000752484 [0,0,1,0,0,1|0,1,0]=3 3271 B17R2.2383 c1ccc(cc1)CSCCNC2CCOC2 34a_100000189534_100000690089 [0,0,1,0,0,1|0,1,0]=3 3272 B17R2.2383 c1ccc(cc1)CSCCNC2CCOC2 7a_100000189534_100000731011 [0,0,1,0,0,1|0,1,0]=3 3273 B17R2.2383 c1ccc(cc1)CSCCNC2CCSC2 270004a_100000189534_100000212027 [0,0,1,0,0,1|0,0,0]=2 3274 B17R2.2383 c1ccc(cc1)CSCCN[C@@H]2CCOC2 2230a_200015188469_200011297719 [0,0,1,0,0,1|0,1,0]=3 3275 B17R2.2383 c1ccc(cc1)CSCCN[C@H]2CCOC2 2230a_100015188467_200011297719 [0,0,1,0,0,1|0,1,0]=3 3276 B17R2.2383 c1ccc(cc1)CSCCN[C@H]2CCOC2 34a_100015188467_200011297719 [0,0,1,0,0,1|0,1,0]=3 3277 B17R2.2383 c1ccc(cc1)CSCCOC2CCCC2 34a_100000210269_200011297719 [0,0,1,0,0,1|2,0,0]=4 3278 B17R2.2383 c1ccc(cc1)CSCCOC2CCCC2 34a_100011205989_100000179811 [0,0,1,0,0,1|2,0,0]=4 3279 B17R2.2383 c1ccc(cc1)CSCCOC2CCCC2 7a_100011205989_100000179811 [0,0,1,0,0,1|2,0,0]=4 3280 B17R2.2383 c1ccc(cc1)CSCCOC2CCOC2 34a_100011205989_100000690089 [0,0,1,0,0,1|1,1,0]=4 3281 B17R2.2383 c1ccc(cc1)CSCCOC2CCOC2 7a_100011205989_100000731011 [0,0,1,0,0,1|1,1,0]=4 3282 B17R2.2383 c1ccc(cc1)CSCCO[C@H]2CCOC2 34a_100000717292_200011297719 [0,0,1,0,0,1|1,1,0]=4 3283 B17R2.2383 c1ccc(cc1)CSCCSC2CCCC2 62a_100011217020_200011297719 [0,0,1,0,0,1|2,0,0]=4 3284 B17R2.2383 c1ccc(cc1)CSCCSC2CCCC2 62a_200011297719_100000179811 [0,0,1,0,0,1|2,0,0]=4 3285 B17R2.2383 c1ccc(cc1)CSCCSC2CCOC2 62a_200011297719_100000690089 [0,0,1,0,0,1|1,1,0]=4 3286 B17R2.2383 c1ccc(cc1)CSCNCC2CCCC2 2230a_100000737975_200011217039 [0,0,1,0,0,1|2,0,0]=4 3287 B17R2.2383 c1ccc(cc1)CSCNCC2CCCC2 34a_100000737975_200011217039 [0,0,1,0,0,1|2,0,0]=4 3288 B17R2.2383 c1ccc(cc1)CSCNCC2CCOC2 2230a_100000737293_200011217039 [0,0,1,0,0,1|1,1,0]=4 3289 B17R2.2383 c1ccc(cc1)CSCNCC2CCOC2 34a_100000737293_200011217039 [0,0,1,0,0,1|1,1,0]=4 3290 B17R2.2383 c1ccc(cc1)NCCCOC2CCCC2 34a_100000212590_100000179811 [0,0,1,0,0,1|2,0,0]=4 3291 B17R2.2383 c1ccc(cc1)NCCCOC2CCOC2 34a_100000212590_100000690089 [0,0,1,0,0,1|1,1,0]=4 3292 B17R2.2383 c1ccc(cc1)OCCCCN2CCSC2 2230a_100011215254_100011215240 [0,0,1,0,0,1|2,0,0]=4 3293 B17R2.2383 c1ccc(cc1)OCCCCN2CCSC2 269982a_100011215254_100011215240 [0,0,1,0,0,1|2,0,0]=4 3294 B17R2.2383 c1ccc(cc1)OCCCNC2CCCC2 2230a_100000211070_100000199009 [0,0,1,0,0,1|1,0,0]=3 3295 B17R2.2383 c1ccc(cc1)OCCCNC2CCCC2 2230a_100000216521_100000179811 [0,0,1,0,0,1|1,0,0]=3 3296 B17R2.2383 c1ccc(cc1)OCCCNC2CCCC2 270004a_100000216521_100000210133 [0,0,1,0,0,1|1,0,0]=3 3297 B17R2.2383 c1ccc(cc1)OCCCNC2CCCC2 34a_100000211070_100000199009 [0,0,1,0,0,1|1,0,0]=3 3298 B17R2.2383 c1ccc(cc1)OCCCNC2CCCC2 34a_100000216521_100000179811 [0,0,1,0,0,1|1,0,0]=3 3299 B17R2.2383 c1ccc(cc1)OCCCNC2CCOC2 2230a_100000216521_100000731011 [0,0,1,0,0,1|0,1,0]=3 3300 B17R2.2383 c1ccc(cc1)OCCCNC2CCOC2 270004a_100000216521_100000752484 [0,0,1,0,0,1|0,1,0]=3 3301 B17R2.2383 c1ccc(cc1)OCCCNC2CCOC2 34a_100000216521_100000690089 [0,0,1,0,0,1|0,1,0]=3 3302 B17R2.2383 c1ccc(cc1)OCCCNC2CCSC2 270004a_100000216521_100000212027 [0,0,1,0,0,1|0,0,0]=2 3303 B17R2.2383 c1ccc(cc1)OCCCN[C@@H]2CCOC2 2230a_200015188469_100000199009 [0,0,1,0,0,1|0,1,0]=3 3304 B17R2.2383 c1ccc(cc1)OCCCN[C@H]2CCOC2 2230a_100015188467_100000199009 [0,0,1,0,0,1|0,1,0]=3 3305 B17R2.2383 c1ccc(cc1)OCCCN[C@H]2CCOC2 34a_100015188467_100000199009 [0,0,1,0,0,1|0,1,0]=3 3306 B17R2.2383 c1ccc(cc1)OCCCOC2CCCC2 34a_100000210269_100000199009 [0,0,1,0,0,1|2,0,0]=4 3307 B17R2.2383 c1ccc(cc1)OCCCOC2CCCC2 34a_100011215863_100000179811 [0,0,1,0,0,1|2,0,0]=4 3308 B17R2.2383 c1ccc(cc1)OCCCOC2CCCC2 7a_100000210269_100000199009 [0,0,1,0,0,1|2,0,0]=4 3309 B17R2.2383 c1ccc(cc1)OCCCOC2CCCC2 7a_100011215863_100000179811 [0,0,1,0,0,1|2,0,0]=4 3310 B17R2.2383 c1ccc(cc1)OCCCOC2CCOC2 34a_100011215863_100000690089 [0,0,1,0,0,1|1,1,0]=4 3311 B17R2.2383 c1ccc(cc1)OCCCOC2CCOC2 7a_100011215863_100000731011 [0,0,1,0,0,1|1,1,0]=4 3312 B17R2.2383 c1ccc(cc1)OCCCOC2CCSC2 7a_100011232664_100000199009 [0,0,1,0,0,1|1,0,0]=3 3313 B17R2.2383 c1ccc(cc1)OCCCO[C@H]2CCOC2 34a_100000717292_100000199009 [0,0,1,0,0,1|1,1,0]=4 3314 B17R2.2383 c1ccc(cc1)OCCCSC2CCCC2 62a_100000199009_100000179811 [0,0,1,0,0,1|2,0,0]=4 3315 B17R2.2383 c1ccc(cc1)OCCCSC2CCCC2 62a_100011217020_100000199009 [0,0,1,0,0,1|2,0,0]=4 3316 B17R2.2383 c1ccc(cc1)OCCCSC2CCOC2 62a_100000199009_100000690089 [0,0,1,0,0,1|1,1,0]=4 3317 B17R2.2383 c1ccc(cc1)OCCNCC2CCCC2 2230a_100000174943_100000740388 [0,0,1,0,0,1|2,0,0]=4 3318 B17R2.2383 c1ccc(cc1)OCCNCC2CCCC2 2230a_100000737975_100000184471 [0,0,1,0,0,1|2,0,0]=4 3319 B17R2.2383 c1ccc(cc1)OCCNCC2CCCC2 269862a_100000174943_100000746403 [0,0,1,0,0,1|2,0,0]=4 3320 B17R2.2383 c1ccc(cc1)OCCNCC2CCCC2 270004a_100000737975_100000758736 [0,0,1,0,0,1|2,0,0]=4 3321 B17R2.2383 c1ccc(cc1)OCCNCC2CCCC2 34a_100000174943_100000740388 [0,0,1,0,0,1|2,0,0]=4 3322 B17R2.2383 c1ccc(cc1)OCCNCC2CCCC2 34a_100000737975_100000184471 [0,0,1,0,0,1|2,0,0]=4 3323 B17R2.2383 c1ccc(cc1)OCCNCC2CCOC2 2230a_100000174943_100000702531 [0,0,1,0,0,1|1,1,0]=4 3324 B17R2.2383 c1ccc(cc1)OCCNCC2CCOC2 2230a_100000737293_100000184471 [0,0,1,0,0,1|1,1,0]=4 3325 B17R2.2383 c1ccc(cc1)OCCNCC2CCOC2 270004a_100000737293_100000758736 [0,0,1,0,0,1|1,1,0]=4 3326 B17R2.2383 c1ccc(cc1)OCCNCC2CCOC2 34a_100000174943_100011261433 [0,0,1,0,0,1|1,1,0]=4 3327 B17R2.2383 c1ccc(cc1)OCCNCC2CCOC2 34a_100000737293_100000184471 [0,0,1,0,0,1|1,1,0]=4 3328 B17R2.2383 c1ccc(cc1)SCCCNC2CCCC2 2230a_100000184639_100000179811 [0,0,1,0,0,1|1,0,0]=3 3329 B17R2.2383 c1ccc(cc1)SCCCNC2CCCC2 2230a_100000211070_200011203293 [0,0,1,0,0,1|1,0,0]=3 3330 B17R2.2383 c1ccc(cc1)SCCCNC2CCCC2 270004a_100000184639_100000210133 [0,0,1,0,0,1|1,0,0]=3 3331 B17R2.2383 c1ccc(cc1)SCCCNC2CCCC2 34a_100000211070_200011203293 [0,0,1,0,0,1|1,0,0]=3 3332 B17R2.2383 c1ccc(cc1)SCCCNC2CCOC2 2230a_100000184639_100000731011 [0,0,1,0,0,1|0,1,0]=3 3333 B17R2.2383 c1ccc(cc1)SCCCNC2CCOC2 270004a_100000184639_100000752484 [0,0,1,0,0,1|0,1,0]=3 3334 B17R2.2383 c1ccc(cc1)SCCCNC2CCSC2 270004a_100000184639_100000212027 [0,0,1,0,0,1|0,0,0]=2 3335 B17R2.2383 c1ccc(cc1)SCCCN[C@@H]2CCOC2 2230a_200015188469_200011203293 [0,0,1,0,0,1|0,1,0]=3 3336 B17R2.2383 c1ccc(cc1)SCCCN[C@H]2CCOC2 2230a_100015188467_200011203293 [0,0,1,0,0,1|0,1,0]=3 3337 B17R2.2383 c1ccc(cc1)SCCCN[C@H]2CCOC2 34a_100015188467_200011203293 [0,0,1,0,0,1|0,1,0]=3 3338 B17R2.2383 c1ccc(cc1)SCCCOC2CCCC2 34a_100000210269_200011203293 [0,0,1,0,0,1|2,0,0]=4 3339 B17R2.2383 c1ccc(cc1)SCCCOC2CCCC2 7a_100000210269_200011203293 [0,0,1,0,0,1|2,0,0]=4 3340 B17R2.2383 c1ccc(cc1)SCCCOC2CCSC2 7a_100011232664_200011203293 [0,0,1,0,0,1|1,0,0]=3 3341 B17R2.2383 c1ccc(cc1)SCCCO[C@H]2CCOC2 34a_100000717292_200011203293 [0,0,1,0,0,1|1,1,0]=4 3342 B17R2.2383 c1ccc(cc1)SCCCSC2CCCC2 62a_100011217020_200011203293 [0,0,1,0,0,1|2,0,0]=4 3343 B17R2.2383 c1ccc(cc1)SCCCSC2CCCC2 62a_200011203293_100000179811 [0,0,1,0,0,1|2,0,0]=4 3344 B17R2.2383 c1ccc(cc1)SCCCSC2CCOC2 62a_200011203293_100000690089 [0,0,1,0,0,1|1,1,0]=4 3345 B17R2.2383 c1ccc(cc1)SCCNCC2CCCC2 2230a_100000189519_100000740388 [0,0,1,0,0,1|2,0,0]=4 3346 B17R2.2383 c1ccc(cc1)SCCNCC2CCCC2 2230a_100000737975_100000246102 [0,0,1,0,0,1|2,0,0]=4 3347 B17R2.2383 c1ccc(cc1)SCCNCC2CCCC2 269862a_100000189519_100000746403 [0,0,1,0,0,1|2,0,0]=4 3348 B17R2.2383 c1ccc(cc1)SCCNCC2CCCC2 34a_100000737975_100000246102 [0,0,1,0,0,1|2,0,0]=4 3349 B17R2.2383 c1ccc(cc1)SCCNCC2CCOC2 2230a_100000189519_100000702531 [0,0,1,0,0,1|1,1,0]=4 3350 B17R2.2383 c1ccc(cc1)SCCNCC2CCOC2 2230a_100000737293_100000246102 [0,0,1,0,0,1|1,1,0]=4 3351 B17R2.2383 c1ccc(cc1)SCCNCC2CCOC2 34a_100000737293_100000246102 [0,0,1,0,0,1|1,1,0]=4 3352 B17R2.2383 c1ccc(nc1)CCCNCC2CCCC2 269862a_100000689020_100000746403 [0,0,1,0,0,1|2,0,0]=4 3353 B17R2.2383 c1ccc(nc1)COCCNC2CCCC2 34a_200000200444_100000721315 [0,0,1,0,0,1|2,0,0]=4 3354 B17R2.2383 c1ccc(nc1)SSCCNC2CCSC2 270004a_100016995281_100000212027 [0,0,1,0,0,1|2,0,0]=4 3355 B17R2.2383 c1cncc(c1)CCCNCC2CCCC2 2230a_100011532358_100000740388 [0,0,1,0,0,1|2,0,0]=4 3356 B17R2.2383 c1cncc(c1)CCCNCC2CCCC2 269862a_100011532358_100000746403 [0,0,1,0,0,1|2,0,0]=4 3357 B17R2.2383 c1cncc(c1)CCCNCC2CCCC2 34a_100011532358_100000740388 [0,0,1,0,0,1|2,0,0]=4 3358 B17R2.2383 c1cncc(c1)CCCNCC2CCOC2 2230a_100011532358_100000702531 [0,0,1,0,0,1|1,1,0]=4 3359 B17R2.2383 c1cncc(c1)CCCNCC2CCOC2 34a_100011532358_100011261433 [0,0,1,0,0,1|1,1,0]=4 3360 B17R2.2383 c1cncc(c1)COCCNC2CCCC2 34a_200000200444_100000733263 [0,0,1,0,0,1|2,0,0]=4 3361 B17R2.2342 CC(CCN1CCSCC1)c2ccccc2 270004a_100000737611_100000189432 [0,0,1,0,0,1|2,0,0]=4 3362 B17R2.2342 CC(CNC1C=CCCC1)c2ccccc2 2230a_100000701038_100000751183 [0,0,1,0,0,1|1,0,1]=4 3363 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 2230a_100000182618_100000756946 [0,0,1,0,0,1|1,0,0]=3 3364 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 270004a_100000182618_100000212034 [0,0,1,0,0,1|1,0,0]=3 3365 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 270004a_100000701038_100000210434 [0,0,1,0,0,1|1,0,0]=3 3366 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 34a_100000182618_100000756946 [0,0,1,0,0,1|1,0,0]=3 3367 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 34a_100000701038_100000210327 [0,0,1,0,0,1|1,0,0]=3 3368 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 2230a_100000719290_100000756946 [0,0,1,0,0,1|0,1,0]=3 3369 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 270004a_100000701038_100000753404 [0,0,1,0,0,1|0,1,0]=3 3370 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 270004a_100000719290_100000212034 [0,0,1,0,0,1|0,1,0]=3 3371 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 34a_100000701038_100000693364 [0,0,1,0,0,1|0,1,0]=3 3372 B17R2.2342 CC(CNC1CCCOC1)c2ccccc2 34a_100000719290_100000756946 [0,0,1,0,0,1|0,1,0]=3 3373 B17R2.2342 CC(CNC1CCCSC1)c2ccccc2 270004a_100000701038_100000057913 [0,0,1,0,0,1|0,0,0]=2 3374 B17R2.2342 CC(CNC1CCNCC1)c2ccccc2 270004a_100000701038_100015192401 [0,0,1,0,0,1|1,0,0]=3 3375 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 2230a_100000741149_100000756946 [0,0,1,0,0,1|0,1,0]=3 3376 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 270004a_100000701038_100011217826 [0,0,1,0,0,1|0,1,0]=3 3377 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 270004a_100000741149_100000212034 [0,0,1,0,0,1|0,1,0]=3 3378 B17R2.2342 CC(CNC1CCOCC1)c2ccccc2 34a_100000741149_100000756946 [0,0,1,0,0,1|0,1,0]=3 3379 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 2230a_100000748639_100000756946 [0,0,1,0,0,1|0,0,0]=2 3380 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 270004a_100000701038_100000203788 [0,0,1,0,0,1|0,0,0]=2 3381 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 270004a_100000748639_100000212034 [0,0,1,0,0,1|0,0,0]=2 3382 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 34a_100000701038_100000069128 [0,0,1,0,0,1|0,0,0]=2 3383 B17R2.2342 CC(CNC1CCSCC1)c2ccccc2 34a_100000748639_100000756946 [0,0,1,0,0,1|0,0,0]=2 3384 B17R2.2342 CC(COC1CC=CCC1)c2ccccc2 34a_100000073881_100000756946 [0,0,1,0,0,1|2,0,0]=4 3385 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100000210231_100000756946 [0,0,1,0,0,1|2,0,0]=4 3386 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100011215166_100000210327 [0,0,1,0,0,1|2,0,0]=4 3387 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100000210231_100000756946 [0,0,1,0,0,1|2,0,0]=4 3388 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100011215166_100000210327 [0,0,1,0,0,1|2,0,0]=4 3389 B17R2.2342 CC(COC1CCCCO1)c2ccccc2 34a_100000033831_100000756946 [0,0,1,0,0,1|2,0,0]=4 3390 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 34a_100000754041_100000756946 [0,0,1,0,0,1|1,1,0]=4 3391 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 34a_100011215166_100000693364 [0,0,1,0,0,1|1,1,0]=4 3392 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 7a_100011215166_100000693364 [0,0,1,0,0,1|1,1,0]=4 3393 B17R2.2342 CC(COC1CCCSC1)c2ccccc2 7a_100015962668_100000756946 [0,0,1,0,0,1|1,0,0]=3 3394 B17R2.2342 CC(COC1CCOCC1)c2ccccc2 34a_100000744328_100000756946 [0,0,1,0,0,1|1,1,0]=4 3395 B17R2.2342 CC(COC1CCOCC1)c2ccccc2 7a_100011215166_100000686592 [0,0,1,0,0,1|1,1,0]=4 3396 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 34a_100000731022_100000756946 [0,0,1,0,0,1|1,0,0]=3 3397 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 34a_100011215166_100000069128 [0,0,1,0,0,1|1,0,0]=3 3398 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 7a_100000731022_100000756946 [0,0,1,0,0,1|1,0,0]=3 3399 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 7a_100011215166_100011500858 [0,0,1,0,0,1|1,0,0]=3 3400 B17R2.2342 CC(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000756946 [0,0,1,0,0,1|2,0,0]=4 3401 B17R2.2342 CC(CSC1CCCCC1)c2ccccc2 62a_100000756946_100000210327 [0,0,1,0,0,1|2,0,0]=4 3402 B17R2.2342 CC(CSC1CCCOC1)c2ccccc2 62a_100000756946_100000693364 [0,0,1,0,0,1|1,1,0]=4 3403 B17R2.2342 CC(CSC1CCOCC1)c2ccccc2 62a_100000756946_100011324220 [0,0,1,0,0,1|1,1,0]=4 3404 B17R2.2342 CC(CSC1CCSCC1)c2ccccc2 62a_100000756946_100000069128 [0,0,1,0,0,1|1,0,0]=3 3405 B17R2.2342 CC(NCC1CCSCC1)c2ccccc2 2230a_100015188806_100000230085 [0,0,1,0,0,1|2,0,0]=4 3406 B17R2.2342 CC(NCC1CCSCC1)c2ccccc2 269862a_100015188806_100000185851 [0,0,1,0,0,1|2,0,0]=4 3407 B17R2.2342 CC(NCC1CCSCC1)c2ccccc2 34a_100015188806_100000211855 [0,0,1,0,0,1|2,0,0]=4 3408 B17R2.2342 CC(OCC1CCSCC1)c2ccccc2 34a_100000070558_100000211855 [0,0,1,0,0,1|2,0,0]=4 3409 B17R2.2342 CC(OCC1CCSCC1)c2ccccc2 7a_100000070558_100000230085 [0,0,1,0,0,1|2,0,0]=4 3410 B17R2.2342 C[C@@H](NCC1CCSCC1)c2ccccc2 269862a_100000751104_100000067145 [0,0,1,0,0,1|2,0,0]=4 3411 B17R2.2342 C[C@@H](NCC1CCSCC1)c2ccccc2 270004a_100000751104_100000067145 [0,0,1,0,0,1|2,0,0]=4 3412 B17R2.2342 N[C@H](COC1CCSCC1)c2ccccc2 34a_100000751927_100000069128 [0,0,1,0,0,1|2,0,0]=4 3413 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 2230a_100000182618_100000185958 [0,0,1,0,0,1|2,0,0]=4 3414 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 270004a_100000210709_100000210434 [0,0,1,0,0,1|2,0,0]=4 3415 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 34a_100000182618_100000185958 [0,0,1,0,0,1|2,0,0]=4 3416 B17R2.2342 OC(CNC1CCCOC1)c2ccccc2 2230a_100000719290_100000185958 [0,0,1,0,0,1|1,1,0]=4 3417 B17R2.2342 OC(CNC1CCCOC1)c2ccccc2 270004a_100000210709_100000753404 [0,0,1,0,0,1|1,1,0]=4 3418 B17R2.2342 OC(CNC1CCCOC1)c2ccccc2 34a_100000719290_100000185958 [0,0,1,0,0,1|1,1,0]=4 3419 B17R2.2342 OC(CNC1CCCSC1)c2ccccc2 270004a_100000210709_100000057913 [0,0,1,0,0,1|1,0,0]=3 3420 B17R2.2342 OC(CNC1CCCSC1)c2ccccn2 270004a_100000691469_100000057913 [0,0,1,0,0,1|2,0,0]=4 3421 B17R2.2342 OC(CNC1CCCSC1)c2cccnc2 270004a_100020605170_100000057913 [0,0,1,0,0,1|2,0,0]=4 3422 B17R2.2342 OC(CNC1CCNCC1)c2ccccc2 270004a_100000210709_100015192401 [0,0,1,0,0,1|2,0,0]=4 3423 B17R2.2342 OC(CNC1CCOCC1)c2ccccc2 2230a_100000741149_100000185958 [0,0,1,0,0,1|1,1,0]=4 3424 B17R2.2342 OC(CNC1CCOCC1)c2ccccc2 270004a_100000210709_100011217826 [0,0,1,0,0,1|1,1,0]=4 3425 B17R2.2342 OC(CNC1CCOCC1)c2ccccc2 34a_100000741149_100000185958 [0,0,1,0,0,1|1,1,0]=4 3426 B17R2.2342 OC(CNC1CCSCC1)c2ccccc2 2230a_100000748639_100000185958 [0,0,1,0,0,1|1,0,0]=3 3427 B17R2.2342 OC(CNC1CCSCC1)c2ccccc2 270004a_100000210709_100000203788 [0,0,1,0,0,1|1,0,0]=3 3428 B17R2.2342 OC(CNC1CCSCC1)c2ccccc2 34a_100000748639_100000185958 [0,0,1,0,0,1|1,0,0]=3 3429 B17R2.2342 OC(CNC1CCSCC1)c2ccccn2 270004a_100000691469_100000203788 [0,0,1,0,0,1|2,0,0]=4 3430 B17R2.2342 OC(CNC1CCSCC1)c2cccnc2 270004a_100020605170_100000203788 [0,0,1,0,0,1|2,0,0]=4 3431 B17R2.2342 OC(COC1CCCSC1)c2ccccc2 7a_100015962668_100000185958 [0,0,1,0,0,1|2,0,0]=4 3432 B17R2.2342 OC(COC1CCSCC1)c2ccccc2 34a_100000731022_100000185958 [0,0,1,0,0,1|2,0,0]=4 3433 B17R2.2342 OC(COC1CCSCC1)c2ccccc2 7a_100000731022_100000185958 [0,0,1,0,0,1|2,0,0]=4 3434 B17R2.2342 OC(CSC1CCSCC1)c2ccccc2 62a_100000185958_100000069128 [0,0,1,0,0,1|2,0,0]=4 3435 B17R2.2342 O[C@H](CNC1CCCCC1)c2ccccc2 2230a_100000182618_100011933945 [0,0,1,0,0,1|2,0,0]=4 3436 B17R2.2342 O[C@H](CNC1CCCCC1)c2ccccc2 34a_100000182618_100011933945 [0,0,1,0,0,1|2,0,0]=4 3437 B17R2.2342 O[C@H](CNC1CCCOC1)c2ccccc2 2230a_100000719290_100011933945 [0,0,1,0,0,1|1,1,0]=4 3438 B17R2.2342 O[C@H](CNC1CCCOC1)c2ccccc2 34a_100000719290_100011933945 [0,0,1,0,0,1|1,1,0]=4 3439 B17R2.2342 O[C@H](CNC1CCOCC1)c2ccccc2 2230a_100000741149_100011933945 [0,0,1,0,0,1|1,1,0]=4 3440 B17R2.2342 O[C@H](CNC1CCOCC1)c2ccccc2 34a_100000741149_100011933945 [0,0,1,0,0,1|1,1,0]=4 3441 B17R2.2342 O[C@H](CNC1CCSCC1)c2ccccc2 2230a_100000748639_100011933945 [0,0,1,0,0,1|1,0,0]=3 3442 B17R2.2342 O[C@H](CNC1CCSCC1)c2ccccc2 34a_100000748639_100011933945 [0,0,1,0,0,1|1,0,0]=3 3443 B17R2.2342 O[C@H](COC1CCCSC1)c2ccccc2 7a_100015962668_100011933945 [0,0,1,0,0,1|2,0,0]=4 3444 B17R2.2342 O[C@H](COC1CCSCC1)c2ccccc2 34a_100000731022_100011933945 [0,0,1,0,0,1|2,0,0]=4 3445 B17R2.2342 O[C@H](COC1CCSCC1)c2ccccc2 7a_100000731022_100011933945 [0,0,1,0,0,1|2,0,0]=4 3446 B17R2.2342 O[C@H](CSC1CCSCC1)c2ccccc2 62a_100011933945_100000069128 [0,0,1,0,0,1|2,0,0]=4 3447 B17R3.8713 c1ccc(cc1)C2CCN2CC3CCC3 2230a_100000739605_100000763275 [0,0,0,0,1,1|2,0,0]=4 3448 B17R3.8713 c1ccc(cc1)C2CCN2CC3CCC3 269982a_100000739605_100000763275 [0,0,0,0,1,1|2,0,0]=4 3449 B17R3.8743 c1ccc(cc1)C2CC(C2)NC3COC3 270004a_100016991112_100000741317 [0,0,0,0,1,1|0,1,0]=3 3450 B17R3.8743 c1ccc(cc1)C2CC(C2)NC3CSC3 270004a_100016994217_100000741317 [0,0,0,0,1,1|0,0,0]=2 3451 B17R3.8743 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCC3 270004a_102125402554_100000241760 [0,0,0,0,1,1|0,0,0]=2 3452 B17R3.8767 c1ccc(cc1)C[C@H]2CN2CC3CCC3 2230a_100016998360_100000763275 [0,0,0,0,1,1|2,0,0]=4 3453 B17R3.8767 c1ccc(cc1)C[C@H]2CN2CC3CCC3 269982a_100016998360_100000763275 [0,0,0,0,1,1|2,0,0]=4 3454 B17R3.8767 c1ccc(cc1)C[C@H]2CN2CC3CCC3 34a_100016998360_100000763275 [0,0,0,0,1,1|2,0,0]=4 3455 B19R3.2368 c1ccc(cc1)C2CC2COC3CCCCC3 34a_100011997005_100000210327 [0,0,0,0,0,2|2,0,0]=4 3456 B19R3.2368 c1ccc(cc1)C2CC2COC3CCCCC3 7a_100011997005_100000210327 [0,0,0,0,0,2|2,0,0]=4 3457 B19R3.2368 c1ccc(cc1)C2CC2COC3CCCOC3 34a_100011997005_100000693364 [0,0,0,0,0,2|1,1,0]=4 3458 B19R3.2368 c1ccc(cc1)C2CC2COC3CCCOC3 7a_100011997005_100000693364 [0,0,0,0,0,2|1,1,0]=4 3459 B19R3.2368 c1ccc(cc1)C2CC2COC3CCOCC3 7a_100011997005_100000686592 [0,0,0,0,0,2|1,1,0]=4 3460 B19R3.2368 c1ccc(cc1)C2CC2COC3CCSCC3 34a_100011997005_100000069128 [0,0,0,0,0,2|1,0,0]=3 3461 B19R3.2368 c1ccc(cc1)C2CC2COC3CCSCC3 7a_100011997005_100011500858 [0,0,0,0,0,2|1,0,0]=3 3462 B19R3.2368 c1ccc(cc1)C2OC2COC3CCSCC3 34a_100000032844_100000069128 [0,0,0,0,0,2|2,0,0]=4 3463 B19R3.2368 c1ccc(cc1)C2OC2COC3CCSCC3 7a_100000032844_100011500858 [0,0,0,0,0,2|2,0,0]=4 3464 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCCC3 2230a_100020588832_100000211423 [0,0,0,0,0,2|1,0,0]=3 3465 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCCC3 34a_100020588832_100000211423 [0,0,0,0,0,2|1,0,0]=3 3466 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCCO3 2230a_100020588832_100000211543 [0,0,0,0,0,2|1,0,0]=3 3467 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCCO3 34a_100020588832_100000211543 [0,0,0,0,0,2|1,0,0]=3 3468 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCOC3 2230a_100020588832_100000741521 [0,0,0,0,0,2|0,1,0]=3 3469 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCCOC3 34a_100020588832_100000741521 [0,0,0,0,0,2|0,1,0]=3 3470 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCOCC3 2230a_100020588832_100000754603 [0,0,0,0,0,2|0,1,0]=3 3471 B19R3.2368 c1ccc(cc1)[C@H]2C[C@@H]2NCC3CCOCC3 34a_100020588832_100000754603 [0,0,0,0,0,2|0,1,0]=3 3472 B19R3.2384 c1ccc(cc1)C2CCN2CC3CCSCC3 270004a_100000739605_100000067145 [0,0,0,0,0,2|2,0,0]=4 3473 B19R3.2386 c1ccc(cc1)C[C@H]2CN2CC3CCSCC3 270004a_100016998360_100000067145 [0,0,0,0,0,2|2,0,0]=4 3474 B19R3.19273 C1=CC(CCC1)N[C@H]2C[C@H](C2)c3ccccc3 2230a_102125402554_100000751183 [0,0,0,0,0,2|1,0,1]=4 3475 B19R3.19273 c1ccc(cc1)C2CC(C2)NC3CCCCC3 270004a_100000182618_100000741317 [0,0,0,0,0,2|1,0,0]=3 3476 B19R3.19273 c1ccc(cc1)C2CC(C2)NC3CCCOC3 270004a_100000719290_100000741317 [0,0,0,0,0,2|0,1,0]=3 3477 B19R3.19273 c1ccc(cc1)C2CC(C2)NC3CCOCC3 270004a_100000741149_100000741317 [0,0,0,0,0,2|0,1,0]=3 3478 B19R3.19273 c1ccc(cc1)C2CC(C2)NC3CCSCC3 270004a_100000748639_100000741317 [0,0,0,0,0,2|0,0,0]=2 3479 B19R3.19273 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCCCC3 270004a_102125402554_100000210434 [0,0,0,0,0,2|1,0,0]=3 3480 B19R3.19273 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCCOC3 270004a_102125402554_100000753404 [0,0,0,0,0,2|0,1,0]=3 3481 B19R3.19273 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCCSC3 270004a_102125402554_100000057913 [0,0,0,0,0,2|0,0,0]=2 3482 B19R3.19273 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCNCC3 270004a_102125402554_100015192401 [0,0,0,0,0,2|1,0,0]=3 3483 B19R3.19273 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCOCC3 270004a_102125402554_100011217826 [0,0,0,0,0,2|0,1,0]=3 3484 B19R3.19273 c1ccc(cc1)[C@H]2C[C@H](C2)NC3CCSCC3 270004a_102125402554_100000203788 [0,0,0,0,0,2|0,0,0]=2 3485 B19R3.324604 c1ccc(cc1)[C@H]2C[C@@H]2NC3CCCCCC3 34a_100020588832_100011217769 [0,0,0,0,0,2|1,0,0]=3 3486 B19R3.19274 c1ccc(cc1)CN2CC(C2)NC3CCCC3 270004a_100011919438_100000210133 [0,0,0,0,0,2|2,0,0]=4 3487 B19R3.19274 c1ccc(cc1)CN2CC(C2)NC3CCOC3 270004a_100011919438_100000752484 [0,0,0,0,0,2|1,1,0]=4 3488 B19R3.19274 c1ccc(cc1)CN2CC(C2)NC3CCSC3 270004a_100011919438_100000212027 [0,0,0,0,0,2|1,0,0]=3 3489 B19R3.2375 c1ccc(cc1)C2COCC2OC3CCCC3 34a_100010739164_100000179811 [0,0,0,0,0,2|2,0,0]=4 3490 B19R3.2375 c1ccc(cc1)C2COCC2OC3CCCC3 7a_100010739164_100000179811 [0,0,0,0,0,2|2,0,0]=4 3491 B19R3.2375 c1ccc(cc1)C2COCC2OC3CCOC3 34a_100010739164_100000690089 [0,0,0,0,0,2|1,1,0]=4 3492 B19R3.2375 c1ccc(cc1)C2COCC2OC3CCOC3 7a_100010739164_100000731011 [0,0,0,0,0,2|1,1,0]=4 3493 B19R3.2375 c1ccc(cc1)[C@H]2CCC[C@H]2NC3CCCC3 2230a_100009885948_100000179811 [0,0,0,0,0,2|1,0,0]=3 3494 B19R3.2375 c1ccc(cc1)[C@H]2CCC[C@H]2NC3CCCC3 270004a_100009885948_100000210133 [0,0,0,0,0,2|1,0,0]=3 3495 B19R3.2375 c1ccc(cc1)[C@H]2CCC[C@H]2NC3CCCC3 34a_100009885948_100000179811 [0,0,0,0,0,2|1,0,0]=3 3496 B19R3.2375 c1ccc(cc1)[C@H]2CCC[C@H]2NC3CCOC3 2230a_100009885948_100000731011 [0,0,0,0,0,2|0,1,0]=3 3497 B19R3.2375 c1ccc(cc1)[C@H]2CCC[C@H]2NC3CCOC3 270004a_100009885948_100000752484 [0,0,0,0,0,2|0,1,0]=3 3498 B19R3.2375 c1ccc(cc1)[C@H]2CCC[C@H]2NC3CCOC3 34a_100009885948_100000690089 [0,0,0,0,0,2|0,1,0]=3 3499 B19R3.2375 c1ccc(cc1)[C@H]2CCC[C@H]2NC3CCSC3 270004a_100009885948_100000212027 [0,0,0,0,0,2|0,0,0]=2 3500 B19R3.2379 C1=CCC(C1)NC2CCC(C2)c3ccccc3 270004a_100015188752_100000750937 [0,0,0,0,0,2|1,0,1]=4 3501 B19R3.2379 c1ccc(cc1)C2CCC(C2)NC3CCCC3 270004a_100000211070_100000750937 [0,0,0,0,0,2|1,0,0]=3 3502 B19R3.2379 c1ccc(cc1)C2CCC(C2)N[C@@H]3CCOC3 270004a_200015188469_100000750937 [0,0,0,0,0,2|0,1,0]=3 3503 B19R3.2379 c1ccc(cc1)C2CCC(C2)N[C@H]3CCOC3 270004a_100015188467_100000750937 [0,0,0,0,0,2|0,1,0]=3 3504 B19R3.2379 c1ccc(cc1)C2OCC(O2)CN3CCSC3 269982a_100011215254_100011996486 [0,0,0,0,0,2|2,0,0]=4 3505 B19R3.19231 c1ccc(cc1)C2CC(=NNC3CCCC3)C2 4a_100000737850_100000741317 [0,0,0,0,0,2|1,0,1]=4 3506 B19R3.19231 c1ccc(cc1)C2CC(=NNC3CCOC3)C2 4a_100000690549_100000741317 [0,0,0,0,0,2|0,1,1]=4 3507 B19R3.19231 c1ccc(cc1)C2CC(=NNC3CCSC3)C2 4a_200000731317_100000741317 [0,0,0,0,0,2|0,0,1]=3 3508 B19R3.19231 c1ccc(cc1)C2CC(C2)NCC3CCCC3 270004a_100000737975_100000741317 [0,0,0,0,0,2|1,0,0]=3 3509 B19R3.19231 c1ccc(cc1)C2CC(C2)NCC3CCOC3 270004a_100000737293_100000741317 [0,0,0,0,0,2|0,1,0]=3 3510 B19R3.19231 c1ccc(cc1)C2CC(C2)NC[C@@H]3CCCO3 270004a_100020590478_100000741317 [0,0,0,0,0,2|2,0,0]=4 3511 B19R3.19231 c1ccc(cc1)[C@H]2C[C@H](C2)NCC3CCCC3 2230a_102125402554_100000740388 [0,0,0,0,0,2|1,0,0]=3 3512 B19R3.19231 c1ccc(cc1)[C@H]2C[C@H](C2)NCC3CCCC3 269862a_102125402554_100000746403 [0,0,0,0,0,2|1,0,0]=3 3513 B19R3.19231 c1ccc(cc1)[C@H]2C[C@H](C2)NCC3CCCO3 2230a_102125402554_100000203698 [0,0,0,0,0,2|2,0,0]=4 3514 B19R3.19231 c1ccc(cc1)[C@H]2C[C@H](C2)NCC3CCOC3 2230a_102125402554_100000702531 [0,0,0,0,0,2|0,1,0]=3 3515 B19R3.19285 c1ccc(cc1)C2CC2COCC3CCCC3 34a_100011997005_100000740388 [0,0,0,0,0,2|2,0,0]=4 3516 B19R3.19285 c1ccc(cc1)C2CC2COCC3CCCC3 7a_100011997005_100000740388 [0,0,0,0,0,2|2,0,0]=4 3517 B19R3.19285 c1ccc(cc1)C2CC2COCC3CCOC3 34a_100011997005_100011261433 [0,0,0,0,0,2|1,1,0]=4 3518 B19R3.19285 c1ccc(cc1)C2CC2COCC3CCOC3 7a_100011997005_100000702531 [0,0,0,0,0,2|1,1,0]=4 3519 B19R3.19285 c1ccc(cc1)[C@H]2C[C@@H]2NCCC3CCCC3 2230a_100020588832_100000760354 [0,0,0,0,0,2|1,0,0]=3 3520 B19R3.19285 c1ccc(cc1)[C@H]2C[C@@H]2NCCC3CCCC3 34a_100020588832_100000760354 [0,0,0,0,0,2|1,0,0]=3