0 B22R3.11010 OC1CC=C(CC1)c2ccccc2Cc3ccccc3 271570a_100010254553_200011216382 [0,0,1,0,0,0|2,0,0]=3 1 B22R3.11010 OC1CC=C(CC1)c2ccccc2Oc3ccccc3 271570a_100010254553_100000049502 [0,0,1,0,0,0|3,0,0]=4 2 B22R3.31859 C[C@H]1CCCN(C1)C(c2ccccc2)c3ccccc3 2230a_100000717927_100000211591 [0,0,1,0,0,0|2,0,1]=4 3 B22R3.31859 C[C@H]1CCCN(C1)C(c2ccccc2)c3ccccc3 269982a_100000717927_100000211591 [0,0,1,0,0,0|2,0,1]=4 4 B22R3.31859 C[C@H]1CCCN(C1)C(c2ccccc2)c3ccccc3 270004a_100000717927_100000210122 [0,0,1,0,0,0|2,0,1]=4 5 B23R3.418 COC1CC=C(CC1)c2ccccc2Cc3ccccc3 271570a_100010144119_200011216382 [0,1,1,0,0,0|1,0,0]=3 6 B23R3.418 N#CC1CC=C(CC1)c2ccccc2Cc3ccccc3 271570a_100010254552_200011216382 [0,1,1,0,0,0|1,0,1]=4 7 B23R3.65685 CC1CC=C(CC1)c2ccccc2C(N)c3ccccc3 271570a_100010240233_100011211563 [0,1,1,0,0,0|1,0,0]=3 8 B23R3.65685 NC(c1ccccc1)c2ccccc2C3=CCC(CC3)O 271570a_100010254553_100011211563 [0,1,1,0,0,0|2,0,0]=4 9 B21R2.39406 CC(C)CCC(=O)c1ccccc1Cc2ccccc2 1458a_100000211042_100000210312 [0,0,2,0,0,0|2,0,0]=4 10 B21R2.22309 CN(C)CCC(NCc1ccccc1)c2ccccc2 207a_200015187826_100015611070 [0,0,2,0,0,0|1,0,1]=4 11 B21R2.22309 CN(C)CCC(NCc1ccccc1)c2ccccc2 270004a_200015187826_100015611070 [0,0,2,0,0,0|1,0,1]=4 12 B21R2.22309 CN(C)CCN(CCc1ccccc1)c2ccccc2 269982a_200000219566_100000765856 [0,0,2,0,0,0|1,0,1]=4 13 B21R2.257676 CN(C/C=C/c1ccccc1)CCCc2ccccc2 2230a_100000693637_100016265936 [0,0,2,0,0,0|0,0,2]=4 14 B21R2.257676 CN(C/C=C/c1ccccc1)CCCc2ccccc2 269982a_100000693637_100016265936 [0,0,2,0,0,0|0,0,2]=4 15 B21R2.257676 CN(C/C=C/c1ccccc1)CCOc2ccccc2 2230a_100000184383_100016265936 [0,0,2,0,0,0|1,0,1]=4 16 B21R2.257676 CN(C/C=C/c1ccccc1)CCOc2ccccc2 269982a_100000184383_100016265936 [0,0,2,0,0,0|1,0,1]=4 17 B21R2.257676 CN(CC=Cc1ccccc1)CCCc2ccccc2 270004a_100000693637_100000210105 [0,0,2,0,0,0|0,0,2]=4 18 B21R2.257676 CN(CC=Cc1ccccc1)CCOc2ccccc2 270004a_100000184383_100000210105 [0,0,2,0,0,0|1,0,1]=4 19 B21R2.257676 CN(CCCc1ccccc1)CCCc2ccccc2 2230a_100000693637_100000211621 [0,0,2,0,0,0|0,0,2]=4 20 B21R2.257676 CN(CCCc1ccccc1)CCCc2ccccc2 269982a_100000693637_100000211621 [0,0,2,0,0,0|0,0,2]=4 21 B21R2.257676 CN(CCCc1ccccc1)CCOc2ccccc2 2230a_100000184383_100000211621 [0,0,2,0,0,0|1,0,1]=4 22 B21R2.257676 CN(CCCc1ccccc1)CCOc2ccccc2 2230a_100000693637_100000184471 [0,0,2,0,0,0|1,0,1]=4 23 B21R2.257676 CN(CCCc1ccccc1)CCOc2ccccc2 269982a_100000184383_100000211621 [0,0,2,0,0,0|1,0,1]=4 24 B21R2.257676 CN(CCCc1ccccc1)CCOc2ccccc2 269982a_100000693637_100000184471 [0,0,2,0,0,0|1,0,1]=4 25 B21R2.257676 CN(CCCc1ccccc1)CCOc2ccccc2 270004a_100000693637_100000758736 [0,0,2,0,0,0|1,0,1]=4 26 B21R2.257676 CN(CCCc1ccccc1)CCSc2ccccc2 2230a_100000693637_100000246102 [0,0,2,0,0,0|1,0,1]=4 27 B21R2.257676 CN(CCCc1ccccc1)CCSc2ccccc2 269982a_100000693637_100000246102 [0,0,2,0,0,0|1,0,1]=4 28 B21R2.257676 CN(CCCc1ccccc1)COCc2ccccc2 2230a_100000693637_100000763385 [0,0,2,0,0,0|1,0,1]=4 29 B21R2.257676 CN(CCCc1ccccc1)CSCc2ccccc2 2230a_100000693637_200011217039 [0,0,2,0,0,0|1,0,1]=4 30 B21R2.257676 CN(CCCc1ccccc1)CSCc2ccccc2 269982a_100000693637_200011217039 [0,0,2,0,0,0|1,0,1]=4 31 B21R2.257676 CN(CCOc1ccccc1)COCc2ccccc2 2230a_100000184383_100000763385 [0,0,2,0,0,0|2,0,0]=4 32 B21R2.257676 CN(CCOc1ccccc1)CSCc2ccccc2 2230a_100000184383_200011217039 [0,0,2,0,0,0|2,0,0]=4 33 B21R2.257676 CN(CCOc1ccccc1)CSCc2ccccc2 269982a_100000184383_200011217039 [0,0,2,0,0,0|2,0,0]=4 34 B21R2.541 C=CCN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100000225617_100000050448 [0,0,2,0,0,0|0,0,2]=4 35 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225617_100009813428 [0,0,2,0,0,0|0,0,2]=4 36 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210623 [0,0,2,0,0,0|0,0,2]=4 37 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000225617_100009813428 [0,0,2,0,0,0|0,0,2]=4 38 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210623 [0,0,2,0,0,0|0,0,2]=4 39 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100015514636 [0,0,2,0,0,0|0,0,2]=4 40 B21R2.541 CCCN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100000747261_100000050448 [0,0,2,0,0,0|0,0,2]=4 41 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000747261_100009813428 [0,0,2,0,0,0|0,0,2]=4 42 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210303 [0,0,2,0,0,0|0,0,2]=4 43 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000747261_100009813428 [0,0,2,0,0,0|0,0,2]=4 44 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210303 [0,0,2,0,0,0|0,0,2]=4 45 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210303 [0,0,2,0,0,0|0,0,2]=4 46 B21R2.541 CN(CC=C(c1ccccc1)c2ccccc2)CCO 270004a_100000210263_100000050448 [0,0,2,0,0,0|1,0,1]=4 47 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011217306 [0,0,2,0,0,0|1,0,1]=4 48 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011217306 [0,0,2,0,0,0|1,0,1]=4 49 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011217306 [0,0,2,0,0,0|1,0,1]=4 50 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100000210263_100009813428 [0,0,2,0,0,0|1,0,1]=4 51 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000211926 [0,0,2,0,0,0|1,0,1]=4 52 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100000210263_100009813428 [0,0,2,0,0,0|1,0,1]=4 53 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000211926 [0,0,2,0,0,0|1,0,1]=4 54 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000211926 [0,0,2,0,0,0|1,0,1]=4 55 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2ccccc2 270004a_102531767803_100000210122 [0,0,2,0,0,0|1,0,1]=4 56 B21R2.12898 CN(C)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000757444 [0,0,2,0,0,0|1,0,1]=4 57 B21R2.12898 CN(C)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000757444 [0,0,2,0,0,0|1,0,1]=4 58 B21R2.12898 CN(C)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000755713 [0,0,2,0,0,0|1,0,1]=4 59 B21R2.16928 CCC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000748023 [0,0,2,0,0,0|2,0,0]=4 60 B21R2.16928 CCC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000708755_100011216954 [0,0,2,0,0,0|2,0,0]=4 61 B21R2.16928 CCN(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100116209913_100011216954 [0,0,2,0,0,0|1,0,0]=3 62 B21R2.16928 CCN(C)CC(=O)N(c1ccccc1)c2ccccc2 2230a_100000225621_200015198546 [0,0,2,0,0,0|2,0,0]=4 63 B21R2.16928 CCN(C)CC(=O)N(c1ccccc1)c2ccccc2 269982a_100000225621_200015198546 [0,0,2,0,0,0|2,0,0]=4 64 B21R2.16928 CC[C@H](C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100009816398 [0,0,2,0,0,0|2,0,0]=4 65 B21R2.255306 C=C(c1ccccc1)c2ccccc2OCCN(C)C 271570a_100000068269_100102946404 [0,0,2,0,0,0|1,0,1]=4 66 B21R2.255306 CN(C)CCNc1ccccc1C(O)c2ccccc2 7a_100000246470_100000755713 [0,0,2,0,0,0|2,0,0]=4 67 B21R2.255306 CN(C)CCSc1ccccc1C(N)c2ccccc2 62a_100011211563_100000755713 [0,0,2,0,0,0|2,0,0]=4 68 B23R3.65688 CC1CC=C(CC1)c2cccnc2OCc3ccccc3 271570a_100010240233_200011465151 [0,0,1,0,0,1|2,0,0]=4 69 B23R3.65688 CC1CC=C(CC1)c2ncccc2OCc3ccccc3 271570a_100010240233_100011501402 [0,0,1,0,0,1|2,0,0]=4 70 B23R3.65688 CN1CCN(CC1)c2ccccc2CNc3ccccc3 207a_100000106764_100011219027 [0,0,1,0,0,1|1,0,1]=4 71 B23R3.65688 CN1CCN(CC1)c2ccccc2NCc3ccccc3 207a_100000189239_100015611070 [0,0,1,0,0,1|1,0,1]=4 72 B23R3.65688 CN1CCN(CC1)c2ccccc2NCc3ccccc3 270302a_100000189239_100015611070 [0,0,1,0,0,1|1,0,1]=4 73 B23R3.65688 OC1CC=C(CC1)c2ccccc2OCc3ccccc3 271570a_100010254553_100000151716 [0,0,1,0,0,1|2,0,0]=4 74 B23R3.67825 CN1CCC(CC1)Sc2ccccc2Cc3ccccc3 62a_200011216382_100011215917 [0,0,1,0,0,1|0,0,2]=4 75 B23R3.67825 CN1CCN(CC1)Cc2ccccc2Cc3ccccc3 2230a_100000188432_100010254464 [0,0,1,0,0,1|1,0,1]=4 76 B23R3.67825 CN1CCN(CC1)Cc2ccccc2Cc3ccccc3 269982a_100000188432_100010254464 [0,0,1,0,0,1|1,0,1]=4 77 B23R3.67825 CN1CCN(CC1)Cc2ccccc2Cc3ccccc3 26a_100000188432_100000211249 [0,0,1,0,0,1|1,0,1]=4 78 B23R3.67825 CN1CCN(CC1)Cc2ccccc2Cc3ccccc3 270004a_100000188432_100009842342 [0,0,1,0,0,1|1,0,1]=4 79 B23R3.16468 CN1CCC[C@@H](C1)NC(c2ccccc2)c3ccccc3 270004a_100016992120_100000210122 [0,0,1,0,0,1|0,0,2]=4 80 B23R3.296953 CN1CCCN(CC1)C(c2ccccc2)c3ccccc3 2230a_100000211313_100000211591 [0,0,1,0,0,1|1,0,1]=4 81 B23R3.296953 CN1CCCN(CC1)C(c2ccccc2)c3ccccc3 269982a_100000211313_100000211591 [0,0,1,0,0,1|1,0,1]=4 82 B23R3.296953 CN1CCCN(CC1)C(c2ccccc2)c3ccccc3 270004a_100000211313_100000210122 [0,0,1,0,0,1|1,0,1]=4 83 B23R4.4605066 c1ccc(cc1)c2c3c(nc4c2cccc4)CCCC3 271570a_100011218836_100000187660 [1,0,0,0,0,1|1,0,1]=4